USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 664 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 GLN :FLIP amide:sc= -2.42 F(o=-5!,f=-3.2) USER MOD Set 1.3: A 44 THR OG1 : rot -179:sc= -0.781 USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00614 (180deg=-0.195) USER MOD Single : A 2 SER OG : rot -29:sc= -0.457! USER MOD Single : A 3 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-5.1!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 106:sc= 1.09 USER MOD Single : A 29 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.35) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00294) USER MOD Single : A 33 THR OG1 : rot -160:sc= -2.2! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0263 (180deg=-0.296) USER MOD Single : A 41 SER OG : rot 127:sc= 1.01 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.837 USER MOD Single : A 45 ASN : amide:sc=-0.00685 X(o=-0.0068,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -3.35! C(o=-9.6!,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot -42:sc= -1.88 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.1) USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -0.0464 (180deg=-0.797) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.62! C(o=-4.7!,f=-1.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0708 USER MOD Single : A 73 SER OG : rot 14:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.106 6.602 21.210 1.00 0.00 N ATOM 2 CA MET A 1 -25.176 5.791 22.047 1.00 0.00 C ATOM 3 C MET A 1 -23.874 5.541 21.284 1.00 0.00 C ATOM 4 O MET A 1 -22.805 5.543 21.860 1.00 0.00 O ATOM 5 CB MET A 1 -25.640 4.845 22.283 1.00 0.00 C ATOM 0 H1 MET A 1 -26.896 6.940 21.796 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.595 7.417 20.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.477 6.016 20.435 1.00 0.00 H new ATOM 0 HA MET A 1 -24.955 6.333 22.967 1.00 0.00 H new ATOM 7 N SER A 2 -23.993 5.334 20.002 1.00 0.00 N ATOM 8 CA SER A 2 -22.777 5.085 19.190 1.00 0.00 C ATOM 9 C SER A 2 -23.010 5.468 17.735 1.00 0.00 C ATOM 10 O SER A 2 -23.955 5.022 17.117 1.00 0.00 O ATOM 11 CB SER A 2 -22.449 3.586 19.260 1.00 0.00 C ATOM 12 OG SER A 2 -22.460 3.292 20.649 1.00 0.00 O ATOM 0 H SER A 2 -24.874 5.327 19.488 1.00 0.00 H new ATOM 0 HA SER A 2 -21.957 5.686 19.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.187 2.991 18.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.478 3.369 18.815 1.00 0.00 H new ATOM 0 HG SER A 2 -22.205 4.092 21.155 1.00 0.00 H new ATOM 18 N HIS A 3 -22.142 6.289 17.214 1.00 0.00 N ATOM 19 CA HIS A 3 -22.298 6.709 15.802 1.00 0.00 C ATOM 20 C HIS A 3 -22.104 5.525 14.865 1.00 0.00 C ATOM 21 O HIS A 3 -22.433 5.591 13.697 1.00 0.00 O ATOM 22 CB HIS A 3 -21.229 7.766 15.488 1.00 0.00 C ATOM 23 CG HIS A 3 -19.857 7.235 15.905 1.00 0.00 C ATOM 24 ND1 HIS A 3 -19.385 6.129 15.569 1.00 0.00 N ATOM 25 CD2 HIS A 3 -18.886 7.825 16.693 1.00 0.00 C ATOM 26 CE1 HIS A 3 -18.227 5.949 16.054 1.00 0.00 C ATOM 27 NE2 HIS A 3 -17.819 6.983 16.791 1.00 0.00 N ATOM 0 H HIS A 3 -21.338 6.683 17.704 1.00 0.00 H new ATOM 0 HA HIS A 3 -23.301 7.112 15.658 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.233 7.999 14.423 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.450 8.692 16.018 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -18.961 8.798 17.157 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.638 5.059 15.889 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.941 7.110 17.295 1.00 0.00 H new ATOM 35 N MET A 4 -21.570 4.460 15.395 1.00 0.00 N ATOM 36 CA MET A 4 -21.347 3.262 14.553 1.00 0.00 C ATOM 37 C MET A 4 -22.670 2.615 14.163 1.00 0.00 C ATOM 38 O MET A 4 -23.244 1.858 14.922 1.00 0.00 O ATOM 39 CB MET A 4 -20.518 2.250 15.360 1.00 0.00 C ATOM 40 CG MET A 4 -20.397 0.944 14.565 1.00 0.00 C ATOM 41 SD MET A 4 -18.742 0.231 14.391 1.00 0.00 S ATOM 42 CE MET A 4 -18.880 -0.992 15.719 1.00 0.00 C ATOM 0 H MET A 4 -21.281 4.371 16.369 1.00 0.00 H new ATOM 0 HA MET A 4 -20.826 3.560 13.643 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.528 2.656 15.567 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.992 2.060 16.323 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.037 0.200 15.039 1.00 0.00 H new ATOM 0 HG3 MET A 4 -20.796 1.119 13.566 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.951 -1.558 15.791 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.069 -0.483 16.664 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.703 -1.673 15.503 1.00 0.00 H new ATOM 52 N LEU A 5 -23.130 2.929 12.985 1.00 0.00 N ATOM 53 CA LEU A 5 -24.411 2.347 12.520 1.00 0.00 C ATOM 54 C LEU A 5 -24.498 2.401 11.003 1.00 0.00 C ATOM 55 O LEU A 5 -24.837 3.422 10.437 1.00 0.00 O ATOM 56 CB LEU A 5 -25.566 3.172 13.112 1.00 0.00 C ATOM 57 CG LEU A 5 -26.864 2.370 12.999 1.00 0.00 C ATOM 58 CD1 LEU A 5 -26.988 1.439 14.206 1.00 0.00 C ATOM 59 CD2 LEU A 5 -28.052 3.333 12.980 1.00 0.00 C ATOM 0 H LEU A 5 -22.673 3.562 12.328 1.00 0.00 H new ATOM 0 HA LEU A 5 -24.472 1.307 12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.361 3.411 14.156 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -25.662 4.119 12.581 1.00 0.00 H new ATOM 0 HG LEU A 5 -26.854 1.782 12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -27.912 0.865 14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.138 0.757 14.228 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -27.003 2.030 15.122 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -28.979 2.766 12.900 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -28.062 3.916 13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -27.962 4.005 12.126 1.00 0.00 H new ATOM 71 N GLU A 6 -24.183 1.302 10.370 1.00 0.00 N ATOM 72 CA GLU A 6 -24.241 1.271 8.888 1.00 0.00 C ATOM 73 C GLU A 6 -24.749 -0.075 8.394 1.00 0.00 C ATOM 74 O GLU A 6 -25.068 -0.947 9.178 1.00 0.00 O ATOM 75 CB GLU A 6 -22.821 1.496 8.345 1.00 0.00 C ATOM 76 CG GLU A 6 -21.949 0.288 8.695 1.00 0.00 C ATOM 77 CD GLU A 6 -21.964 0.072 10.210 1.00 0.00 C ATOM 78 OE1 GLU A 6 -21.183 0.746 10.861 1.00 0.00 O ATOM 79 OE2 GLU A 6 -22.755 -0.756 10.631 1.00 0.00 O ATOM 0 H GLU A 6 -23.890 0.432 10.815 1.00 0.00 H new ATOM 0 HA GLU A 6 -24.922 2.048 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.850 1.637 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.395 2.403 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.320 -0.602 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.928 0.450 8.350 1.00 0.00 H new ATOM 86 N GLY A 7 -24.816 -0.219 7.099 1.00 0.00 N ATOM 87 CA GLY A 7 -25.303 -1.505 6.522 1.00 0.00 C ATOM 88 C GLY A 7 -26.163 -1.237 5.288 1.00 0.00 C ATOM 89 O GLY A 7 -27.183 -1.868 5.092 1.00 0.00 O ATOM 0 H GLY A 7 -24.556 0.494 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.456 -2.136 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.883 -2.050 7.267 1.00 0.00 H new ATOM 93 N ARG A 8 -25.731 -0.301 4.483 1.00 0.00 N ATOM 94 CA ARG A 8 -26.502 0.026 3.258 1.00 0.00 C ATOM 95 C ARG A 8 -25.567 0.328 2.093 1.00 0.00 C ATOM 96 O ARG A 8 -24.391 0.028 2.146 1.00 0.00 O ATOM 97 CB ARG A 8 -27.359 1.274 3.543 1.00 0.00 C ATOM 98 CG ARG A 8 -26.717 2.084 4.674 1.00 0.00 C ATOM 99 CD ARG A 8 -25.335 2.568 4.228 1.00 0.00 C ATOM 100 NE ARG A 8 -25.501 3.520 3.093 1.00 0.00 N ATOM 101 CZ ARG A 8 -26.017 4.697 3.317 1.00 0.00 C ATOM 102 NH1 ARG A 8 -25.375 5.531 4.088 1.00 0.00 N ATOM 103 NH2 ARG A 8 -27.160 5.001 2.763 1.00 0.00 N ATOM 0 H ARG A 8 -24.882 0.246 4.624 1.00 0.00 H new ATOM 0 HA ARG A 8 -27.126 -0.827 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.441 1.885 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.371 0.978 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -27.348 2.935 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.628 1.471 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -24.820 3.055 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.719 1.722 3.923 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.214 3.254 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.485 5.258 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.763 6.456 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.634 4.323 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.579 5.917 2.927 1.00 0.00 H new ATOM 117 N LYS A 9 -26.105 0.918 1.063 1.00 0.00 N ATOM 118 CA LYS A 9 -25.260 1.246 -0.111 1.00 0.00 C ATOM 119 C LYS A 9 -24.174 2.247 0.264 1.00 0.00 C ATOM 120 O LYS A 9 -24.460 3.340 0.714 1.00 0.00 O ATOM 121 CB LYS A 9 -26.157 1.873 -1.188 1.00 0.00 C ATOM 122 CG LYS A 9 -27.235 2.720 -0.510 1.00 0.00 C ATOM 123 CD LYS A 9 -27.742 3.773 -1.496 1.00 0.00 C ATOM 124 CE LYS A 9 -28.602 4.790 -0.744 1.00 0.00 C ATOM 125 NZ LYS A 9 -29.893 4.175 -0.328 1.00 0.00 N ATOM 0 H LYS A 9 -27.087 1.185 0.986 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.784 0.335 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -25.562 2.490 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -26.618 1.093 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -28.059 2.086 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -26.829 3.203 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -26.901 4.274 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -28.325 3.299 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -28.065 5.151 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -28.792 5.655 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -30.486 4.893 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -30.388 3.806 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -29.708 3.396 0.336 1.00 0.00 H new ATOM 139 N LYS A 10 -22.943 1.856 0.074 1.00 0.00 N ATOM 140 CA LYS A 10 -21.827 2.772 0.412 1.00 0.00 C ATOM 141 C LYS A 10 -21.855 4.006 -0.481 1.00 0.00 C ATOM 142 O LYS A 10 -22.234 3.930 -1.634 1.00 0.00 O ATOM 143 CB LYS A 10 -20.504 2.023 0.188 1.00 0.00 C ATOM 144 CG LYS A 10 -20.252 1.087 1.373 1.00 0.00 C ATOM 145 CD LYS A 10 -18.946 0.325 1.143 1.00 0.00 C ATOM 146 CE LYS A 10 -17.765 1.258 1.423 1.00 0.00 C ATOM 147 NZ LYS A 10 -16.507 0.474 1.570 1.00 0.00 N ATOM 0 H LYS A 10 -22.667 0.947 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 10 -21.924 3.091 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -20.547 1.452 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -19.683 2.732 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -20.195 1.660 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -21.081 0.387 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.899 -0.547 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.900 -0.042 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.660 1.976 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.953 1.830 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.715 1.121 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.605 -0.194 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.322 -0.052 0.693 1.00 0.00 H new ATOM 161 N ARG A 11 -21.454 5.124 0.064 1.00 0.00 N ATOM 162 CA ARG A 11 -21.456 6.367 -0.747 1.00 0.00 C ATOM 163 C ARG A 11 -20.663 7.478 -0.061 1.00 0.00 C ATOM 164 O ARG A 11 -20.682 8.613 -0.495 1.00 0.00 O ATOM 165 CB ARG A 11 -22.913 6.828 -0.910 1.00 0.00 C ATOM 166 CG ARG A 11 -23.495 7.147 0.469 1.00 0.00 C ATOM 167 CD ARG A 11 -25.017 7.250 0.360 1.00 0.00 C ATOM 168 NE ARG A 11 -25.564 7.728 1.660 1.00 0.00 N ATOM 169 CZ ARG A 11 -25.126 8.850 2.165 1.00 0.00 C ATOM 170 NH1 ARG A 11 -25.424 9.970 1.567 1.00 0.00 N ATOM 171 NH2 ARG A 11 -24.403 8.814 3.252 1.00 0.00 N ATOM 0 H ARG A 11 -21.129 5.226 1.025 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.992 6.161 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -22.959 7.709 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -23.502 6.050 -1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -23.221 6.369 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -23.081 8.083 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -25.292 7.938 -0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -25.443 6.279 0.106 1.00 0.00 H new ATOM 0 HE ARG A 11 -26.274 7.184 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -25.991 9.960 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.090 10.856 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -24.189 7.919 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -24.052 9.681 3.660 1.00 0.00 H new ATOM 185 N VAL A 12 -19.979 7.133 0.997 1.00 0.00 N ATOM 186 CA VAL A 12 -19.185 8.163 1.717 1.00 0.00 C ATOM 187 C VAL A 12 -17.859 8.443 0.975 1.00 0.00 C ATOM 188 O VAL A 12 -17.230 7.533 0.471 1.00 0.00 O ATOM 189 CB VAL A 12 -18.858 7.622 3.122 1.00 0.00 C ATOM 190 CG1 VAL A 12 -20.150 7.517 3.936 1.00 0.00 C ATOM 191 CG2 VAL A 12 -18.229 6.232 2.995 1.00 0.00 C ATOM 0 H VAL A 12 -19.937 6.192 1.389 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.760 9.087 1.773 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.162 8.296 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.923 7.134 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.607 8.503 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.841 6.839 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.996 5.846 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.929 5.560 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.313 6.299 2.408 1.00 0.00 H new ATOM 201 N PRO A 13 -17.457 9.711 0.922 1.00 0.00 N ATOM 202 CA PRO A 13 -16.213 10.090 0.246 1.00 0.00 C ATOM 203 C PRO A 13 -15.003 9.417 0.883 1.00 0.00 C ATOM 204 O PRO A 13 -15.135 8.452 1.610 1.00 0.00 O ATOM 205 CB PRO A 13 -16.101 11.619 0.442 1.00 0.00 C ATOM 206 CG PRO A 13 -17.321 12.067 1.303 1.00 0.00 C ATOM 207 CD PRO A 13 -18.204 10.826 1.525 1.00 0.00 C ATOM 0 HA PRO A 13 -16.231 9.789 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.165 11.875 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.101 12.131 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -16.989 12.478 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.882 12.852 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -18.381 10.653 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -19.180 10.947 1.054 1.00 0.00 H new ATOM 215 N TYR A 14 -13.843 9.944 0.595 1.00 0.00 N ATOM 216 CA TYR A 14 -12.615 9.353 1.171 1.00 0.00 C ATOM 217 C TYR A 14 -12.632 9.472 2.688 1.00 0.00 C ATOM 218 O TYR A 14 -12.864 8.499 3.381 1.00 0.00 O ATOM 219 CB TYR A 14 -11.403 10.117 0.619 1.00 0.00 C ATOM 220 CG TYR A 14 -11.252 9.808 -0.875 1.00 0.00 C ATOM 221 CD1 TYR A 14 -12.142 10.331 -1.791 1.00 0.00 C ATOM 222 CD2 TYR A 14 -10.223 9.005 -1.325 1.00 0.00 C ATOM 223 CE1 TYR A 14 -12.006 10.054 -3.136 1.00 0.00 C ATOM 224 CE2 TYR A 14 -10.089 8.729 -2.671 1.00 0.00 C ATOM 225 CZ TYR A 14 -10.978 9.252 -3.587 1.00 0.00 C ATOM 226 OH TYR A 14 -10.843 8.976 -4.932 1.00 0.00 O ATOM 0 H TYR A 14 -13.699 10.752 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.559 8.298 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.534 11.189 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.500 9.827 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.951 10.962 -1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.518 8.590 -0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.710 10.469 -3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.281 8.098 -3.010 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.065 8.397 -5.071 1.00 0.00 H new ATOM 236 N THR A 15 -12.382 10.666 3.178 1.00 0.00 N ATOM 237 CA THR A 15 -12.382 10.873 4.651 1.00 0.00 C ATOM 238 C THR A 15 -13.211 12.094 5.010 1.00 0.00 C ATOM 239 O THR A 15 -13.778 12.735 4.148 1.00 0.00 O ATOM 240 CB THR A 15 -10.940 11.099 5.115 1.00 0.00 C ATOM 241 OG1 THR A 15 -10.133 10.430 4.167 1.00 0.00 O ATOM 242 CG2 THR A 15 -10.674 10.362 6.436 1.00 0.00 C ATOM 0 H THR A 15 -12.180 11.496 2.621 1.00 0.00 H new ATOM 0 HA THR A 15 -12.809 9.996 5.138 1.00 0.00 H new ATOM 0 HB THR A 15 -10.749 12.166 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.189 10.538 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.644 10.535 6.748 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.353 10.734 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.835 9.293 6.295 1.00 0.00 H new ATOM 250 N LYS A 16 -13.270 12.397 6.272 1.00 0.00 N ATOM 251 CA LYS A 16 -14.060 13.572 6.693 1.00 0.00 C ATOM 252 C LYS A 16 -13.198 14.818 6.711 1.00 0.00 C ATOM 253 O LYS A 16 -13.676 15.903 6.494 1.00 0.00 O ATOM 254 CB LYS A 16 -14.592 13.318 8.112 1.00 0.00 C ATOM 255 CG LYS A 16 -14.774 11.813 8.322 1.00 0.00 C ATOM 256 CD LYS A 16 -15.795 11.285 7.312 1.00 0.00 C ATOM 257 CE LYS A 16 -16.610 10.164 7.961 1.00 0.00 C ATOM 258 NZ LYS A 16 -15.754 8.970 8.205 1.00 0.00 N ATOM 0 H LYS A 16 -12.808 11.884 7.023 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.879 13.722 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.897 13.718 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.541 13.834 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.821 11.298 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.113 11.614 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.455 12.090 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.286 10.913 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.034 10.513 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.446 9.894 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.340 8.191 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.302 8.679 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.021 9.205 8.904 1.00 0.00 H new ATOM 272 N VAL A 17 -11.934 14.632 6.932 1.00 0.00 N ATOM 273 CA VAL A 17 -11.023 15.790 6.968 1.00 0.00 C ATOM 274 C VAL A 17 -10.647 16.150 5.565 1.00 0.00 C ATOM 275 O VAL A 17 -10.111 17.206 5.290 1.00 0.00 O ATOM 276 CB VAL A 17 -9.763 15.389 7.741 1.00 0.00 C ATOM 277 CG1 VAL A 17 -9.062 14.247 7.002 1.00 0.00 C ATOM 278 CG2 VAL A 17 -8.826 16.587 7.820 1.00 0.00 C ATOM 0 H VAL A 17 -11.495 13.725 7.089 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.504 16.641 7.450 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.032 15.064 8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.164 13.957 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.735 13.392 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.787 14.577 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.926 16.310 8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.554 16.903 6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.327 17.407 8.335 1.00 0.00 H new ATOM 288 N GLN A 18 -10.950 15.250 4.703 1.00 0.00 N ATOM 289 CA GLN A 18 -10.652 15.441 3.289 1.00 0.00 C ATOM 290 C GLN A 18 -11.699 16.339 2.640 1.00 0.00 C ATOM 291 O GLN A 18 -11.376 17.366 2.071 1.00 0.00 O ATOM 292 CB GLN A 18 -10.708 14.051 2.651 1.00 0.00 C ATOM 293 CG GLN A 18 -9.331 13.382 2.743 1.00 0.00 C ATOM 294 CD GLN A 18 -9.165 12.396 1.580 1.00 0.00 C ATOM 295 OE1 GLN A 18 -9.716 12.671 0.426 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -8.532 11.369 1.711 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.405 14.365 4.929 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.679 15.913 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.455 13.439 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.015 14.131 1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.545 14.136 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.231 12.859 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.099 11.147 2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.433 10.727 0.924 1.00 0.00 H new ATOM 305 N LEU A 19 -12.937 15.938 2.737 1.00 0.00 N ATOM 306 CA LEU A 19 -14.017 16.754 2.134 1.00 0.00 C ATOM 307 C LEU A 19 -14.283 17.982 2.979 1.00 0.00 C ATOM 308 O LEU A 19 -14.931 18.914 2.545 1.00 0.00 O ATOM 309 CB LEU A 19 -15.293 15.904 2.077 1.00 0.00 C ATOM 310 CG LEU A 19 -15.309 15.120 0.767 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.461 16.095 -0.402 1.00 0.00 C ATOM 312 CD2 LEU A 19 -13.987 14.364 0.621 1.00 0.00 C ATOM 0 H LEU A 19 -13.242 15.085 3.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.717 17.070 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.328 15.221 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.174 16.542 2.145 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.141 14.415 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.473 15.540 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.394 16.648 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.624 16.793 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.991 13.801 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.160 15.075 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.867 13.677 1.458 1.00 0.00 H new ATOM 324 N LYS A 20 -13.778 17.962 4.176 1.00 0.00 N ATOM 325 CA LYS A 20 -13.986 19.113 5.066 1.00 0.00 C ATOM 326 C LYS A 20 -12.995 20.203 4.729 1.00 0.00 C ATOM 327 O LYS A 20 -13.342 21.362 4.699 1.00 0.00 O ATOM 328 CB LYS A 20 -13.764 18.638 6.512 1.00 0.00 C ATOM 329 CG LYS A 20 -13.701 19.821 7.474 1.00 0.00 C ATOM 330 CD LYS A 20 -13.249 19.294 8.849 1.00 0.00 C ATOM 331 CE LYS A 20 -11.713 19.250 8.923 1.00 0.00 C ATOM 332 NZ LYS A 20 -11.233 19.891 10.179 1.00 0.00 N ATOM 0 H LYS A 20 -13.232 17.196 4.570 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.994 19.510 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.572 17.968 6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.838 18.066 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.004 20.574 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.677 20.301 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.640 19.935 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.657 18.297 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.370 18.216 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.287 19.762 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.194 19.853 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.544 20.883 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.625 19.385 10.999 1.00 0.00 H new ATOM 346 N GLU A 21 -11.773 19.815 4.455 1.00 0.00 N ATOM 347 CA GLU A 21 -10.762 20.838 4.119 1.00 0.00 C ATOM 348 C GLU A 21 -10.997 21.375 2.718 1.00 0.00 C ATOM 349 O GLU A 21 -10.649 22.495 2.413 1.00 0.00 O ATOM 350 CB GLU A 21 -9.366 20.196 4.185 1.00 0.00 C ATOM 351 CG GLU A 21 -8.919 20.106 5.648 1.00 0.00 C ATOM 352 CD GLU A 21 -8.595 21.508 6.169 1.00 0.00 C ATOM 353 OE1 GLU A 21 -9.533 22.152 6.609 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.427 21.856 6.097 1.00 0.00 O ATOM 0 H GLU A 21 -11.445 18.849 4.452 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.837 21.662 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.389 19.202 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.653 20.788 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.705 19.654 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.043 19.463 5.733 1.00 0.00 H new ATOM 361 N LEU A 22 -11.583 20.565 1.888 1.00 0.00 N ATOM 362 CA LEU A 22 -11.847 21.014 0.504 1.00 0.00 C ATOM 363 C LEU A 22 -13.028 21.985 0.463 1.00 0.00 C ATOM 364 O LEU A 22 -12.919 23.086 -0.043 1.00 0.00 O ATOM 365 CB LEU A 22 -12.210 19.770 -0.344 1.00 0.00 C ATOM 366 CG LEU A 22 -11.151 19.542 -1.433 1.00 0.00 C ATOM 367 CD1 LEU A 22 -10.911 20.848 -2.198 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.844 19.081 -0.782 1.00 0.00 C ATOM 0 H LEU A 22 -11.888 19.617 2.109 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.962 21.519 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.278 18.891 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.190 19.907 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.501 18.778 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.159 20.684 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.842 21.175 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.561 21.615 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.091 18.919 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.494 19.845 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.016 18.151 -0.241 1.00 0.00 H new ATOM 380 N GLU A 23 -14.128 21.559 1.019 1.00 0.00 N ATOM 381 CA GLU A 23 -15.337 22.425 1.029 1.00 0.00 C ATOM 382 C GLU A 23 -15.173 23.635 1.943 1.00 0.00 C ATOM 383 O GLU A 23 -15.946 24.569 1.873 1.00 0.00 O ATOM 384 CB GLU A 23 -16.517 21.584 1.539 1.00 0.00 C ATOM 385 CG GLU A 23 -17.765 21.916 0.718 1.00 0.00 C ATOM 386 CD GLU A 23 -18.274 23.305 1.108 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.574 23.463 2.280 1.00 0.00 O ATOM 388 OE2 GLU A 23 -18.335 24.131 0.211 1.00 0.00 O ATOM 0 H GLU A 23 -14.241 20.649 1.466 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.504 22.793 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.285 20.522 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.696 21.790 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.532 21.887 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.539 21.170 0.895 1.00 0.00 H new ATOM 395 N ARG A 24 -14.178 23.608 2.782 1.00 0.00 N ATOM 396 CA ARG A 24 -13.985 24.766 3.692 1.00 0.00 C ATOM 397 C ARG A 24 -13.168 25.838 3.007 1.00 0.00 C ATOM 398 O ARG A 24 -13.533 26.995 2.998 1.00 0.00 O ATOM 399 CB ARG A 24 -13.211 24.303 4.939 1.00 0.00 C ATOM 400 CG ARG A 24 -14.186 23.802 6.030 1.00 0.00 C ATOM 401 CD ARG A 24 -15.432 23.160 5.399 1.00 0.00 C ATOM 402 NE ARG A 24 -16.508 24.187 5.297 1.00 0.00 N ATOM 403 CZ ARG A 24 -17.264 24.435 6.336 1.00 0.00 C ATOM 404 NH1 ARG A 24 -17.165 23.672 7.391 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.097 25.438 6.283 1.00 0.00 N ATOM 0 H ARG A 24 -13.502 22.850 2.876 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.962 25.163 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.519 23.506 4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.613 25.126 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.682 23.076 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.484 24.635 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.193 22.766 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.770 22.319 6.005 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.654 24.693 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.505 22.895 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.748 23.853 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.150 26.013 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -18.695 25.647 7.083 1.00 0.00 H new ATOM 419 N GLU A 25 -12.073 25.430 2.443 1.00 0.00 N ATOM 420 CA GLU A 25 -11.210 26.402 1.751 1.00 0.00 C ATOM 421 C GLU A 25 -11.897 26.947 0.509 1.00 0.00 C ATOM 422 O GLU A 25 -11.522 27.985 0.002 1.00 0.00 O ATOM 423 CB GLU A 25 -9.911 25.691 1.336 1.00 0.00 C ATOM 424 CG GLU A 25 -9.349 24.915 2.540 1.00 0.00 C ATOM 425 CD GLU A 25 -8.343 25.791 3.288 1.00 0.00 C ATOM 426 OE1 GLU A 25 -8.607 26.980 3.360 1.00 0.00 O ATOM 427 OE2 GLU A 25 -7.364 25.222 3.744 1.00 0.00 O ATOM 0 H GLU A 25 -11.742 24.465 2.434 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.999 27.234 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.105 25.009 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.180 26.420 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.159 24.622 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.867 23.997 2.202 1.00 0.00 H new ATOM 434 N TYR A 26 -12.894 26.243 0.034 1.00 0.00 N ATOM 435 CA TYR A 26 -13.599 26.737 -1.176 1.00 0.00 C ATOM 436 C TYR A 26 -14.743 27.653 -0.772 1.00 0.00 C ATOM 437 O TYR A 26 -14.980 28.672 -1.390 1.00 0.00 O ATOM 438 CB TYR A 26 -14.172 25.536 -1.950 1.00 0.00 C ATOM 439 CG TYR A 26 -13.921 25.720 -3.456 1.00 0.00 C ATOM 440 CD1 TYR A 26 -13.967 26.977 -4.037 1.00 0.00 C ATOM 441 CD2 TYR A 26 -13.648 24.629 -4.253 1.00 0.00 C ATOM 442 CE1 TYR A 26 -13.745 27.131 -5.389 1.00 0.00 C ATOM 443 CE2 TYR A 26 -13.425 24.788 -5.607 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.472 26.039 -6.184 1.00 0.00 C ATOM 445 OH TYR A 26 -13.247 26.196 -7.537 1.00 0.00 O ATOM 0 H TYR A 26 -13.241 25.367 0.425 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.896 27.289 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -13.706 24.613 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.241 25.445 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.178 27.842 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.608 23.642 -3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.785 28.116 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.212 23.924 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.069 25.322 -7.943 1.00 0.00 H new ATOM 455 N ALA A 27 -15.433 27.273 0.266 1.00 0.00 N ATOM 456 CA ALA A 27 -16.564 28.102 0.730 1.00 0.00 C ATOM 457 C ALA A 27 -16.063 29.286 1.549 1.00 0.00 C ATOM 458 O ALA A 27 -16.817 30.182 1.872 1.00 0.00 O ATOM 459 CB ALA A 27 -17.469 27.234 1.615 1.00 0.00 C ATOM 0 H ALA A 27 -15.259 26.426 0.808 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.110 28.480 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.311 27.829 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.840 26.388 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.900 26.868 2.469 1.00 0.00 H new ATOM 465 N THR A 28 -14.796 29.270 1.872 1.00 0.00 N ATOM 466 CA THR A 28 -14.237 30.386 2.666 1.00 0.00 C ATOM 467 C THR A 28 -13.906 31.573 1.772 1.00 0.00 C ATOM 468 O THR A 28 -14.050 32.712 2.170 1.00 0.00 O ATOM 469 CB THR A 28 -12.950 29.904 3.344 1.00 0.00 C ATOM 470 OG1 THR A 28 -13.371 29.005 4.350 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.274 31.050 4.110 1.00 0.00 C ATOM 0 H THR A 28 -14.135 28.536 1.619 1.00 0.00 H new ATOM 0 HA THR A 28 -14.974 30.700 3.405 1.00 0.00 H new ATOM 0 HB THR A 28 -12.272 29.491 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.173 28.086 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.363 30.684 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.026 31.854 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.953 31.427 4.875 1.00 0.00 H new ATOM 479 N ASN A 29 -13.470 31.288 0.575 1.00 0.00 N ATOM 480 CA ASN A 29 -13.126 32.394 -0.351 1.00 0.00 C ATOM 481 C ASN A 29 -13.214 31.945 -1.808 1.00 0.00 C ATOM 482 O ASN A 29 -14.228 32.120 -2.453 1.00 0.00 O ATOM 483 CB ASN A 29 -11.684 32.834 -0.063 1.00 0.00 C ATOM 484 CG ASN A 29 -11.238 33.827 -1.138 1.00 0.00 C ATOM 485 OD1 ASN A 29 -10.169 33.709 -1.703 1.00 0.00 O ATOM 486 ND2 ASN A 29 -12.027 34.819 -1.452 1.00 0.00 N ATOM 0 H ASN A 29 -13.339 30.347 0.205 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.831 33.211 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.621 33.294 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.022 31.968 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.744 35.489 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.926 34.924 -0.982 1.00 0.00 H new ATOM 493 N LYS A 30 -12.146 31.369 -2.293 1.00 0.00 N ATOM 494 CA LYS A 30 -12.137 30.901 -3.703 1.00 0.00 C ATOM 495 C LYS A 30 -11.055 29.862 -3.873 1.00 0.00 C ATOM 496 O LYS A 30 -11.280 28.797 -4.411 1.00 0.00 O ATOM 497 CB LYS A 30 -11.811 32.097 -4.614 1.00 0.00 C ATOM 498 CG LYS A 30 -13.077 32.920 -4.860 1.00 0.00 C ATOM 499 CD LYS A 30 -12.891 33.751 -6.132 1.00 0.00 C ATOM 500 CE LYS A 30 -13.491 35.144 -5.917 1.00 0.00 C ATOM 501 NZ LYS A 30 -12.577 35.989 -5.096 1.00 0.00 N ATOM 0 H LYS A 30 -11.284 31.204 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.107 30.476 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.045 32.720 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.405 31.744 -5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.940 32.262 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.273 33.572 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.832 33.832 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.376 33.260 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.669 35.622 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.458 35.057 -5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.102 36.804 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.199 35.426 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.791 36.327 -5.688 1.00 0.00 H new ATOM 515 N PHE A 31 -9.894 30.203 -3.406 1.00 0.00 N ATOM 516 CA PHE A 31 -8.765 29.285 -3.506 1.00 0.00 C ATOM 517 C PHE A 31 -7.832 29.524 -2.358 1.00 0.00 C ATOM 518 O PHE A 31 -7.885 30.563 -1.730 1.00 0.00 O ATOM 519 CB PHE A 31 -8.025 29.486 -4.826 1.00 0.00 C ATOM 520 CG PHE A 31 -7.667 28.100 -5.348 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.592 27.412 -4.815 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.469 27.473 -6.281 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.331 26.118 -5.202 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.206 26.177 -6.666 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.137 25.500 -6.123 1.00 0.00 C ATOM 0 H PHE A 31 -9.688 31.094 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.136 28.261 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.651 30.019 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.128 30.087 -4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.953 27.894 -4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.307 28.002 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.490 25.588 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.839 25.691 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.933 24.483 -6.422 1.00 0.00 H new ATOM 535 N ILE A 32 -6.987 28.572 -2.106 1.00 0.00 N ATOM 536 CA ILE A 32 -6.039 28.717 -0.995 1.00 0.00 C ATOM 537 C ILE A 32 -4.608 28.948 -1.482 1.00 0.00 C ATOM 538 O ILE A 32 -4.274 28.674 -2.618 1.00 0.00 O ATOM 539 CB ILE A 32 -6.138 27.449 -0.144 1.00 0.00 C ATOM 540 CG1 ILE A 32 -7.073 26.432 -0.811 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.763 27.840 1.202 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.364 25.803 -2.016 1.00 0.00 C ATOM 0 H ILE A 32 -6.918 27.699 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.294 29.598 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.147 27.011 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.356 25.659 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.993 26.922 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.848 26.956 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.132 28.580 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.754 28.262 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.027 25.080 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.103 26.582 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.457 25.299 -1.682 1.00 0.00 H new ATOM 554 N THR A 33 -3.795 29.454 -0.591 1.00 0.00 N ATOM 555 CA THR A 33 -2.376 29.738 -0.933 1.00 0.00 C ATOM 556 C THR A 33 -1.558 28.472 -1.106 1.00 0.00 C ATOM 557 O THR A 33 -1.926 27.416 -0.638 1.00 0.00 O ATOM 558 CB THR A 33 -1.764 30.566 0.204 1.00 0.00 C ATOM 559 OG1 THR A 33 -1.872 29.758 1.357 1.00 0.00 O ATOM 560 CG2 THR A 33 -2.632 31.797 0.513 1.00 0.00 C ATOM 0 H THR A 33 -4.060 29.683 0.367 1.00 0.00 H new ATOM 0 HA THR A 33 -2.358 30.275 -1.881 1.00 0.00 H new ATOM 0 HB THR A 33 -0.752 30.869 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.801 30.319 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.178 32.369 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.705 32.423 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.629 31.473 0.812 1.00 0.00 H new ATOM 568 N LYS A 34 -0.444 28.621 -1.774 1.00 0.00 N ATOM 569 CA LYS A 34 0.442 27.464 -2.012 1.00 0.00 C ATOM 570 C LYS A 34 0.653 26.658 -0.741 1.00 0.00 C ATOM 571 O LYS A 34 0.668 25.443 -0.771 1.00 0.00 O ATOM 572 CB LYS A 34 1.788 27.994 -2.511 1.00 0.00 C ATOM 573 CG LYS A 34 1.667 28.326 -4.007 1.00 0.00 C ATOM 574 CD LYS A 34 0.724 29.537 -4.193 1.00 0.00 C ATOM 575 CE LYS A 34 -0.734 29.065 -4.419 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.242 29.565 -5.728 1.00 0.00 N ATOM 0 H LYS A 34 -0.115 29.504 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.017 26.806 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.075 28.883 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.569 27.250 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.650 28.550 -4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.281 27.464 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.771 30.180 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.054 30.134 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.779 27.976 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.370 29.428 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.221 29.241 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.217 30.605 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.644 29.198 -6.496 1.00 0.00 H new ATOM 590 N ASP A 35 0.812 27.340 0.356 1.00 0.00 N ATOM 591 CA ASP A 35 1.020 26.614 1.629 1.00 0.00 C ATOM 592 C ASP A 35 -0.300 26.053 2.118 1.00 0.00 C ATOM 593 O ASP A 35 -0.349 25.022 2.765 1.00 0.00 O ATOM 594 CB ASP A 35 1.557 27.605 2.676 1.00 0.00 C ATOM 595 CG ASP A 35 2.863 28.219 2.170 1.00 0.00 C ATOM 596 OD1 ASP A 35 3.881 27.585 2.391 1.00 0.00 O ATOM 597 OD2 ASP A 35 2.770 29.288 1.590 1.00 0.00 O ATOM 0 H ASP A 35 0.807 28.358 0.424 1.00 0.00 H new ATOM 0 HA ASP A 35 1.727 25.798 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.822 28.388 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.726 27.094 3.624 1.00 0.00 H new ATOM 602 N LYS A 36 -1.352 26.740 1.789 1.00 0.00 N ATOM 603 CA LYS A 36 -2.685 26.283 2.214 1.00 0.00 C ATOM 604 C LYS A 36 -3.155 25.100 1.367 1.00 0.00 C ATOM 605 O LYS A 36 -3.722 24.155 1.884 1.00 0.00 O ATOM 606 CB LYS A 36 -3.658 27.446 2.047 1.00 0.00 C ATOM 607 CG LYS A 36 -3.396 28.481 3.143 1.00 0.00 C ATOM 608 CD LYS A 36 -4.196 28.107 4.394 1.00 0.00 C ATOM 609 CE LYS A 36 -3.824 29.065 5.529 1.00 0.00 C ATOM 610 NZ LYS A 36 -4.192 30.465 5.170 1.00 0.00 N ATOM 0 H LYS A 36 -1.340 27.601 1.242 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.642 25.957 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.535 27.900 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.686 27.088 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.332 28.520 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.683 29.474 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.265 28.164 4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.982 27.078 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.337 28.771 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.754 29.003 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.158 31.062 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.521 30.830 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.154 30.481 4.775 1.00 0.00 H new ATOM 624 N ARG A 37 -2.917 25.162 0.081 1.00 0.00 N ATOM 625 CA ARG A 37 -3.354 24.033 -0.771 1.00 0.00 C ATOM 626 C ARG A 37 -2.453 22.849 -0.509 1.00 0.00 C ATOM 627 O ARG A 37 -2.863 21.709 -0.601 1.00 0.00 O ATOM 628 CB ARG A 37 -3.232 24.440 -2.249 1.00 0.00 C ATOM 629 CG ARG A 37 -1.777 24.731 -2.559 1.00 0.00 C ATOM 630 CD ARG A 37 -1.645 25.130 -4.036 1.00 0.00 C ATOM 631 NE ARG A 37 -2.016 23.970 -4.889 1.00 0.00 N ATOM 632 CZ ARG A 37 -1.126 23.461 -5.697 1.00 0.00 C ATOM 633 NH1 ARG A 37 -0.922 24.030 -6.853 1.00 0.00 N ATOM 634 NH2 ARG A 37 -0.463 22.402 -5.320 1.00 0.00 N ATOM 0 H ARG A 37 -2.449 25.930 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.388 23.774 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.602 23.641 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.844 25.320 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.410 25.533 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.166 23.853 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.292 25.980 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.623 25.443 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.956 23.576 -4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.454 24.860 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.230 23.645 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.644 21.985 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.236 21.991 -5.939 1.00 0.00 H new ATOM 648 N ARG A 38 -1.227 23.150 -0.176 1.00 0.00 N ATOM 649 CA ARG A 38 -0.267 22.074 0.106 1.00 0.00 C ATOM 650 C ARG A 38 -0.592 21.447 1.443 1.00 0.00 C ATOM 651 O ARG A 38 -0.246 20.312 1.702 1.00 0.00 O ATOM 652 CB ARG A 38 1.148 22.677 0.162 1.00 0.00 C ATOM 653 CG ARG A 38 2.128 21.621 0.682 1.00 0.00 C ATOM 654 CD ARG A 38 3.560 22.122 0.476 1.00 0.00 C ATOM 655 NE ARG A 38 4.450 20.956 0.203 1.00 0.00 N ATOM 656 CZ ARG A 38 5.013 20.334 1.202 1.00 0.00 C ATOM 657 NH1 ARG A 38 5.764 21.013 2.025 1.00 0.00 N ATOM 658 NH2 ARG A 38 4.808 19.053 1.344 1.00 0.00 N ATOM 0 H ARG A 38 -0.860 24.098 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.322 21.315 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.451 23.015 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.158 23.551 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.946 21.427 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.980 20.679 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.596 22.826 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.902 22.657 1.362 1.00 0.00 H new ATOM 0 HE ARG A 38 4.617 20.648 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.903 22.013 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.212 20.544 2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.216 18.555 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.240 18.550 2.119 1.00 0.00 H new ATOM 672 N ARG A 39 -1.260 22.206 2.281 1.00 0.00 N ATOM 673 CA ARG A 39 -1.617 21.666 3.602 1.00 0.00 C ATOM 674 C ARG A 39 -2.641 20.594 3.392 1.00 0.00 C ATOM 675 O ARG A 39 -2.524 19.499 3.902 1.00 0.00 O ATOM 676 CB ARG A 39 -2.230 22.789 4.456 1.00 0.00 C ATOM 677 CG ARG A 39 -1.199 23.279 5.470 1.00 0.00 C ATOM 678 CD ARG A 39 -1.576 24.694 5.912 1.00 0.00 C ATOM 679 NE ARG A 39 -0.691 25.109 7.034 1.00 0.00 N ATOM 680 CZ ARG A 39 0.593 25.202 6.835 1.00 0.00 C ATOM 681 NH1 ARG A 39 1.074 26.306 6.335 1.00 0.00 N ATOM 682 NH2 ARG A 39 1.353 24.188 7.143 1.00 0.00 N ATOM 0 H ARG A 39 -1.564 23.162 2.097 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.738 21.267 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.548 23.613 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.118 22.424 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.169 22.610 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.203 23.275 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.474 25.388 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.619 24.724 6.226 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.086 25.319 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.448 27.078 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.077 26.398 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.940 23.341 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.361 24.242 6.994 1.00 0.00 H new ATOM 696 N ILE A 40 -3.637 20.931 2.624 1.00 0.00 N ATOM 697 CA ILE A 40 -4.692 19.955 2.348 1.00 0.00 C ATOM 698 C ILE A 40 -4.044 18.672 1.876 1.00 0.00 C ATOM 699 O ILE A 40 -4.182 17.639 2.488 1.00 0.00 O ATOM 700 CB ILE A 40 -5.556 20.506 1.229 1.00 0.00 C ATOM 701 CG1 ILE A 40 -6.117 21.874 1.618 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.718 19.546 1.004 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.596 22.613 0.355 1.00 0.00 C ATOM 0 H ILE A 40 -3.755 21.842 2.182 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.292 19.767 3.238 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.956 20.611 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.944 21.754 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.352 22.461 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.352 19.924 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.331 18.565 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.303 19.461 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.996 23.588 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.757 22.746 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.374 22.028 -0.135 1.00 0.00 H new ATOM 715 N SER A 41 -3.360 18.767 0.768 1.00 0.00 N ATOM 716 CA SER A 41 -2.680 17.574 0.222 1.00 0.00 C ATOM 717 C SER A 41 -1.975 16.784 1.335 1.00 0.00 C ATOM 718 O SER A 41 -2.003 15.571 1.351 1.00 0.00 O ATOM 719 CB SER A 41 -1.619 18.065 -0.802 1.00 0.00 C ATOM 720 OG SER A 41 -0.388 17.516 -0.346 1.00 0.00 O ATOM 0 H SER A 41 -3.247 19.622 0.223 1.00 0.00 H new ATOM 0 HA SER A 41 -3.414 16.918 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.855 17.723 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.577 19.154 -0.836 1.00 0.00 H new ATOM 0 HG SER A 41 0.043 17.026 -1.078 1.00 0.00 H new ATOM 726 N ALA A 42 -1.347 17.493 2.244 1.00 0.00 N ATOM 727 CA ALA A 42 -0.639 16.798 3.351 1.00 0.00 C ATOM 728 C ALA A 42 -1.636 16.307 4.373 1.00 0.00 C ATOM 729 O ALA A 42 -1.326 15.490 5.217 1.00 0.00 O ATOM 730 CB ALA A 42 0.313 17.796 4.030 1.00 0.00 C ATOM 0 H ALA A 42 -1.298 18.512 2.263 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.084 15.950 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.840 17.300 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.036 18.163 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.260 18.634 4.426 1.00 0.00 H new ATOM 736 N THR A 43 -2.818 16.821 4.276 1.00 0.00 N ATOM 737 CA THR A 43 -3.871 16.416 5.218 1.00 0.00 C ATOM 738 C THR A 43 -4.636 15.270 4.620 1.00 0.00 C ATOM 739 O THR A 43 -5.015 14.333 5.293 1.00 0.00 O ATOM 740 CB THR A 43 -4.817 17.601 5.422 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.979 18.709 5.666 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.620 17.440 6.712 1.00 0.00 C ATOM 0 H THR A 43 -3.099 17.510 3.578 1.00 0.00 H new ATOM 0 HA THR A 43 -3.438 16.114 6.172 1.00 0.00 H new ATOM 0 HB THR A 43 -5.484 17.693 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.594 19.021 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.285 18.294 6.835 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.210 16.525 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.938 17.386 7.561 1.00 0.00 H new ATOM 750 N THR A 44 -4.845 15.377 3.345 1.00 0.00 N ATOM 751 CA THR A 44 -5.575 14.333 2.632 1.00 0.00 C ATOM 752 C THR A 44 -4.623 13.153 2.317 1.00 0.00 C ATOM 753 O THR A 44 -5.060 12.032 2.163 1.00 0.00 O ATOM 754 CB THR A 44 -6.118 14.979 1.370 1.00 0.00 C ATOM 755 OG1 THR A 44 -7.206 14.184 0.957 1.00 0.00 O ATOM 756 CG2 THR A 44 -5.143 14.881 0.258 1.00 0.00 C ATOM 0 H THR A 44 -4.532 16.158 2.768 1.00 0.00 H new ATOM 0 HA THR A 44 -6.394 13.923 3.223 1.00 0.00 H new ATOM 0 HB THR A 44 -6.358 16.021 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.589 14.555 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.559 15.352 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.219 15.387 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.933 13.832 0.050 1.00 0.00 H new ATOM 764 N ASN A 45 -3.325 13.468 2.211 1.00 0.00 N ATOM 765 CA ASN A 45 -2.269 12.415 1.917 1.00 0.00 C ATOM 766 C ASN A 45 -1.953 12.133 0.422 1.00 0.00 C ATOM 767 O ASN A 45 -2.026 10.997 -0.004 1.00 0.00 O ATOM 768 CB ASN A 45 -2.695 11.091 2.578 1.00 0.00 C ATOM 769 CG ASN A 45 -1.443 10.280 2.925 1.00 0.00 C ATOM 770 OD1 ASN A 45 -0.846 10.451 3.969 1.00 0.00 O ATOM 771 ND2 ASN A 45 -1.015 9.385 2.076 1.00 0.00 N ATOM 0 H ASN A 45 -2.958 14.414 2.317 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.348 12.833 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.276 11.290 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.336 10.523 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.184 8.834 2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.512 9.237 1.198 1.00 0.00 H new ATOM 778 N LEU A 46 -1.608 13.146 -0.351 1.00 0.00 N ATOM 779 CA LEU A 46 -1.286 12.863 -1.811 1.00 0.00 C ATOM 780 C LEU A 46 -0.218 13.841 -2.313 1.00 0.00 C ATOM 781 O LEU A 46 0.666 14.216 -1.567 1.00 0.00 O ATOM 782 CB LEU A 46 -2.569 12.959 -2.688 1.00 0.00 C ATOM 783 CG LEU A 46 -3.513 13.927 -2.061 1.00 0.00 C ATOM 784 CD1 LEU A 46 -3.011 15.346 -2.290 1.00 0.00 C ATOM 785 CD2 LEU A 46 -4.914 13.767 -2.678 1.00 0.00 C ATOM 0 H LEU A 46 -1.535 14.120 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.898 11.848 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.312 13.283 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.038 11.979 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.571 13.730 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.701 16.054 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.024 15.459 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.948 15.541 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.599 14.478 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.863 13.958 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.273 12.752 -2.506 1.00 0.00 H new ATOM 797 N SER A 47 -0.303 14.244 -3.553 1.00 0.00 N ATOM 798 CA SER A 47 0.701 15.176 -4.068 1.00 0.00 C ATOM 799 C SER A 47 0.348 16.580 -3.695 1.00 0.00 C ATOM 800 O SER A 47 0.432 16.967 -2.551 1.00 0.00 O ATOM 801 CB SER A 47 0.719 15.067 -5.600 1.00 0.00 C ATOM 802 OG SER A 47 1.245 13.773 -5.847 1.00 0.00 O ATOM 0 H SER A 47 -1.025 13.962 -4.216 1.00 0.00 H new ATOM 0 HA SER A 47 1.674 14.929 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.281 15.178 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.340 15.842 -6.048 1.00 0.00 H new ATOM 0 HG SER A 47 1.290 13.617 -6.813 1.00 0.00 H new ATOM 808 N GLU A 48 -0.067 17.302 -4.661 1.00 0.00 N ATOM 809 CA GLU A 48 -0.441 18.681 -4.447 1.00 0.00 C ATOM 810 C GLU A 48 -1.319 19.063 -5.594 1.00 0.00 C ATOM 811 O GLU A 48 -2.436 19.508 -5.412 1.00 0.00 O ATOM 812 CB GLU A 48 0.830 19.513 -4.445 1.00 0.00 C ATOM 813 CG GLU A 48 1.529 19.347 -3.088 1.00 0.00 C ATOM 814 CD GLU A 48 2.438 20.552 -2.828 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.417 21.441 -3.664 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.108 20.513 -1.809 1.00 0.00 O ATOM 0 H GLU A 48 -0.164 16.977 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.965 18.837 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.491 19.194 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.594 20.562 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.788 19.260 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.115 18.428 -3.079 1.00 0.00 H new ATOM 823 N ARG A 49 -0.797 18.884 -6.782 1.00 0.00 N ATOM 824 CA ARG A 49 -1.590 19.220 -7.945 1.00 0.00 C ATOM 825 C ARG A 49 -2.900 18.501 -7.778 1.00 0.00 C ATOM 826 O ARG A 49 -3.919 18.920 -8.278 1.00 0.00 O ATOM 827 CB ARG A 49 -0.877 18.704 -9.210 1.00 0.00 C ATOM 828 CG ARG A 49 -1.346 19.509 -10.433 1.00 0.00 C ATOM 829 CD ARG A 49 -0.186 19.639 -11.420 1.00 0.00 C ATOM 830 NE ARG A 49 0.437 18.300 -11.613 1.00 0.00 N ATOM 831 CZ ARG A 49 0.610 17.841 -12.823 1.00 0.00 C ATOM 832 NH1 ARG A 49 -0.359 17.177 -13.390 1.00 0.00 N ATOM 833 NH2 ARG A 49 1.744 18.067 -13.427 1.00 0.00 N ATOM 0 H ARG A 49 0.138 18.522 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.734 20.296 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.203 18.796 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.093 17.645 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.191 19.012 -10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.690 20.496 -10.124 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.544 20.029 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.552 20.347 -11.043 1.00 0.00 H new ATOM 0 HE ARG A 49 0.726 17.746 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.234 17.024 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.242 16.811 -14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.478 18.595 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.897 17.716 -14.372 1.00 0.00 H new ATOM 847 N GLN A 50 -2.835 17.395 -7.041 1.00 0.00 N ATOM 848 CA GLN A 50 -4.051 16.612 -6.802 1.00 0.00 C ATOM 849 C GLN A 50 -5.058 17.508 -6.129 1.00 0.00 C ATOM 850 O GLN A 50 -6.207 17.529 -6.494 1.00 0.00 O ATOM 851 CB GLN A 50 -3.710 15.434 -5.878 1.00 0.00 C ATOM 852 CG GLN A 50 -3.702 14.147 -6.706 1.00 0.00 C ATOM 853 CD GLN A 50 -2.881 14.375 -7.976 1.00 0.00 C ATOM 854 OE1 GLN A 50 -2.009 15.345 -8.000 1.00 0.00 O flip ATOM 855 NE2 GLN A 50 -3.024 13.673 -8.955 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.986 17.027 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.456 16.229 -7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.737 15.589 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.442 15.361 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.277 13.329 -6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.721 13.859 -6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.704 12.913 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.464 13.843 -9.791 1.00 0.00 H new ATOM 864 N VAL A 51 -4.599 18.241 -5.137 1.00 0.00 N ATOM 865 CA VAL A 51 -5.523 19.150 -4.432 1.00 0.00 C ATOM 866 C VAL A 51 -5.981 20.181 -5.417 1.00 0.00 C ATOM 867 O VAL A 51 -7.150 20.449 -5.566 1.00 0.00 O ATOM 868 CB VAL A 51 -4.776 19.854 -3.316 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.739 20.765 -2.561 1.00 0.00 C ATOM 870 CG2 VAL A 51 -4.214 18.811 -2.361 1.00 0.00 C ATOM 0 H VAL A 51 -3.636 18.240 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.365 18.594 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.963 20.449 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.205 21.273 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.153 21.505 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.548 20.169 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.675 19.309 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.031 18.223 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.533 18.153 -2.901 1.00 0.00 H new ATOM 880 N THR A 52 -5.028 20.739 -6.089 1.00 0.00 N ATOM 881 CA THR A 52 -5.355 21.756 -7.083 1.00 0.00 C ATOM 882 C THR A 52 -6.387 21.172 -8.013 1.00 0.00 C ATOM 883 O THR A 52 -7.329 21.826 -8.423 1.00 0.00 O ATOM 884 CB THR A 52 -4.087 22.028 -7.863 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.043 21.758 -6.957 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.924 23.508 -8.191 1.00 0.00 C ATOM 0 H THR A 52 -4.035 20.528 -5.986 1.00 0.00 H new ATOM 0 HA THR A 52 -5.736 22.670 -6.627 1.00 0.00 H new ATOM 0 HB THR A 52 -4.097 21.444 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.271 22.123 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.001 23.657 -8.751 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.770 23.843 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.884 24.083 -7.266 1.00 0.00 H new ATOM 894 N ILE A 53 -6.179 19.923 -8.317 1.00 0.00 N ATOM 895 CA ILE A 53 -7.097 19.212 -9.207 1.00 0.00 C ATOM 896 C ILE A 53 -8.362 18.913 -8.430 1.00 0.00 C ATOM 897 O ILE A 53 -9.448 18.897 -8.973 1.00 0.00 O ATOM 898 CB ILE A 53 -6.418 17.898 -9.617 1.00 0.00 C ATOM 899 CG1 ILE A 53 -5.588 18.065 -10.900 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.496 16.840 -9.878 1.00 0.00 C ATOM 901 CD1 ILE A 53 -5.123 19.520 -11.077 1.00 0.00 C ATOM 0 H ILE A 53 -5.395 19.367 -7.974 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.340 19.800 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.753 17.597 -8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.721 17.405 -10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.182 17.763 -11.762 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.023 15.903 -10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.080 16.684 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.153 17.180 -10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.538 19.606 -11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.992 20.175 -11.138 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.508 19.812 -10.225 1.00 0.00 H new ATOM 913 N TRP A 54 -8.187 18.681 -7.152 1.00 0.00 N ATOM 914 CA TRP A 54 -9.339 18.385 -6.302 1.00 0.00 C ATOM 915 C TRP A 54 -10.233 19.576 -6.367 1.00 0.00 C ATOM 916 O TRP A 54 -11.437 19.463 -6.478 1.00 0.00 O ATOM 917 CB TRP A 54 -8.822 18.182 -4.858 1.00 0.00 C ATOM 918 CG TRP A 54 -9.822 17.421 -4.004 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.067 17.161 -4.349 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.525 16.887 -2.845 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.527 16.414 -3.326 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.600 16.195 -2.327 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.333 16.951 -2.127 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.490 15.561 -1.109 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.235 16.317 -0.912 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.310 15.622 -0.403 1.00 0.00 C ATOM 0 H TRP A 54 -7.285 18.688 -6.676 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.876 17.491 -6.619 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.877 17.639 -4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.620 19.152 -4.404 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.593 17.472 -5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.477 16.043 -3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.490 17.497 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.331 15.015 -0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.312 16.364 -0.354 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.227 15.124 0.552 1.00 0.00 H new ATOM 937 N PHE A 55 -9.623 20.730 -6.321 1.00 0.00 N ATOM 938 CA PHE A 55 -10.437 21.941 -6.385 1.00 0.00 C ATOM 939 C PHE A 55 -11.166 22.006 -7.725 1.00 0.00 C ATOM 940 O PHE A 55 -12.296 22.446 -7.804 1.00 0.00 O ATOM 941 CB PHE A 55 -9.524 23.147 -6.230 1.00 0.00 C ATOM 942 CG PHE A 55 -9.345 23.388 -4.745 1.00 0.00 C ATOM 943 CD1 PHE A 55 -10.378 23.913 -4.005 1.00 0.00 C ATOM 944 CD2 PHE A 55 -8.182 23.015 -4.109 1.00 0.00 C ATOM 945 CE1 PHE A 55 -10.258 24.058 -2.645 1.00 0.00 C ATOM 946 CE2 PHE A 55 -8.060 23.158 -2.748 1.00 0.00 C ATOM 947 CZ PHE A 55 -9.099 23.681 -2.014 1.00 0.00 C ATOM 0 H PHE A 55 -8.616 20.870 -6.243 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.179 21.934 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.562 22.965 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.959 24.023 -6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.291 24.214 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.362 22.608 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.076 24.469 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.147 22.859 -2.254 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.003 23.795 -0.944 1.00 0.00 H new ATOM 957 N GLN A 56 -10.502 21.557 -8.758 1.00 0.00 N ATOM 958 CA GLN A 56 -11.136 21.580 -10.103 1.00 0.00 C ATOM 959 C GLN A 56 -12.250 20.558 -10.175 1.00 0.00 C ATOM 960 O GLN A 56 -13.218 20.736 -10.886 1.00 0.00 O ATOM 961 CB GLN A 56 -10.078 21.218 -11.135 1.00 0.00 C ATOM 962 CG GLN A 56 -10.295 22.052 -12.401 1.00 0.00 C ATOM 963 CD GLN A 56 -9.473 21.455 -13.546 1.00 0.00 C ATOM 964 OE1 GLN A 56 -8.288 21.218 -13.417 1.00 0.00 O ATOM 965 NE2 GLN A 56 -10.061 21.198 -14.683 1.00 0.00 N ATOM 0 H GLN A 56 -9.555 21.179 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.548 22.571 -10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.082 21.402 -10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.134 20.156 -11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.352 22.065 -12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.998 23.086 -12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.055 21.394 -14.799 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.526 20.801 -15.455 1.00 0.00 H new ATOM 974 N ASN A 57 -12.093 19.493 -9.435 1.00 0.00 N ATOM 975 CA ASN A 57 -13.130 18.457 -9.447 1.00 0.00 C ATOM 976 C ASN A 57 -14.259 18.961 -8.626 1.00 0.00 C ATOM 977 O ASN A 57 -15.387 18.538 -8.750 1.00 0.00 O ATOM 978 CB ASN A 57 -12.566 17.174 -8.817 1.00 0.00 C ATOM 979 CG ASN A 57 -11.941 16.303 -9.912 1.00 0.00 C ATOM 980 OD1 ASN A 57 -12.592 15.460 -10.496 1.00 0.00 O ATOM 981 ND2 ASN A 57 -10.685 16.476 -10.216 1.00 0.00 N ATOM 0 H ASN A 57 -11.292 19.309 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.458 18.236 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.818 17.423 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.359 16.626 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.253 15.905 -10.942 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.135 17.183 -9.728 1.00 0.00 H new ATOM 988 N ARG A 58 -13.919 19.872 -7.783 1.00 0.00 N ATOM 989 CA ARG A 58 -14.913 20.460 -6.920 1.00 0.00 C ATOM 990 C ARG A 58 -15.647 21.517 -7.720 1.00 0.00 C ATOM 991 O ARG A 58 -16.764 21.891 -7.404 1.00 0.00 O ATOM 992 CB ARG A 58 -14.189 21.100 -5.738 1.00 0.00 C ATOM 993 CG ARG A 58 -14.578 20.364 -4.451 1.00 0.00 C ATOM 994 CD ARG A 58 -15.975 20.797 -4.021 1.00 0.00 C ATOM 995 NE ARG A 58 -15.932 22.231 -3.628 1.00 0.00 N ATOM 996 CZ ARG A 58 -17.013 22.953 -3.726 1.00 0.00 C ATOM 997 NH1 ARG A 58 -17.564 23.103 -4.897 1.00 0.00 N ATOM 998 NH2 ARG A 58 -17.505 23.500 -2.650 1.00 0.00 N ATOM 0 H ARG A 58 -12.972 20.232 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.623 19.719 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.110 21.051 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.453 22.155 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.554 19.287 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.859 20.584 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.683 20.650 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.319 20.187 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.065 22.645 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.149 22.659 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.410 23.664 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.045 23.360 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.350 24.068 -2.707 1.00 0.00 H new ATOM 1012 N ARG A 59 -14.998 21.970 -8.781 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.634 23.000 -9.627 1.00 0.00 C ATOM 1014 C ARG A 59 -16.505 22.284 -10.613 1.00 0.00 C ATOM 1015 O ARG A 59 -17.474 22.812 -11.122 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.544 23.778 -10.387 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.203 24.638 -11.472 1.00 0.00 C ATOM 1018 CD ARG A 59 -14.457 25.971 -11.581 1.00 0.00 C ATOM 1019 NE ARG A 59 -14.910 26.684 -12.813 1.00 0.00 N ATOM 1020 CZ ARG A 59 -15.422 27.881 -12.711 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -16.534 28.038 -12.048 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -14.805 28.881 -13.280 1.00 0.00 N ATOM 0 H ARG A 59 -14.071 21.665 -9.079 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.214 23.698 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.982 24.408 -9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.833 23.085 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.182 24.116 -12.429 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.251 24.813 -11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.650 26.583 -10.700 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.382 25.798 -11.620 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.820 26.239 -13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.990 27.233 -11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.948 28.966 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.938 28.720 -13.793 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.190 29.823 -13.211 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.127 21.068 -10.850 1.00 0.00 N ATOM 1037 CA VAL A 60 -16.865 20.224 -11.783 1.00 0.00 C ATOM 1038 C VAL A 60 -18.043 19.610 -11.042 1.00 0.00 C ATOM 1039 O VAL A 60 -19.006 19.167 -11.638 1.00 0.00 O ATOM 1040 CB VAL A 60 -15.884 19.128 -12.270 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.308 17.748 -11.746 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -15.874 19.104 -13.800 1.00 0.00 C ATOM 0 H VAL A 60 -15.316 20.623 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.248 20.783 -12.637 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.888 19.356 -11.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.606 16.993 -12.100 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.312 17.758 -10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.308 17.512 -12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.185 18.334 -14.147 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.877 18.886 -14.167 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.553 20.075 -14.177 1.00 0.00 H new ATOM 1052 N LYS A 61 -17.928 19.604 -9.735 1.00 0.00 N ATOM 1053 CA LYS A 61 -19.005 19.037 -8.899 1.00 0.00 C ATOM 1054 C LYS A 61 -20.085 20.084 -8.670 1.00 0.00 C ATOM 1055 O LYS A 61 -21.246 19.760 -8.518 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.402 18.636 -7.540 1.00 0.00 C ATOM 1057 CG LYS A 61 -19.447 17.860 -6.730 1.00 0.00 C ATOM 1058 CD LYS A 61 -18.743 17.108 -5.594 1.00 0.00 C ATOM 1059 CE LYS A 61 -19.762 16.771 -4.499 1.00 0.00 C ATOM 1060 NZ LYS A 61 -19.440 17.504 -3.243 1.00 0.00 N ATOM 0 H LYS A 61 -17.128 19.971 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.443 18.172 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.513 18.023 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.087 19.525 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -20.192 18.544 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -19.977 17.158 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.287 16.194 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.939 17.718 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.765 17.035 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.761 15.697 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.140 17.264 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.491 17.232 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.464 18.528 -3.423 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.679 21.332 -8.648 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.665 22.413 -8.433 1.00 0.00 C ATOM 1076 C GLU A 62 -21.658 22.424 -9.569 1.00 0.00 C ATOM 1077 O GLU A 62 -22.809 22.771 -9.398 1.00 0.00 O ATOM 1078 CB GLU A 62 -19.923 23.763 -8.431 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.340 24.031 -7.042 1.00 0.00 C ATOM 1080 CD GLU A 62 -19.211 25.544 -6.839 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -18.672 26.165 -7.741 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -19.660 25.991 -5.798 1.00 0.00 O ATOM 0 H GLU A 62 -18.713 21.637 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.182 22.252 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.126 23.751 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -20.607 24.565 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.984 23.602 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.365 23.553 -6.944 1.00 0.00 H new ATOM 1089 N LYS A 63 -21.188 22.041 -10.719 1.00 0.00 N ATOM 1090 CA LYS A 63 -22.077 22.017 -11.890 1.00 0.00 C ATOM 1091 C LYS A 63 -23.106 20.911 -11.763 1.00 0.00 C ATOM 1092 O LYS A 63 -24.247 21.077 -12.147 1.00 0.00 O ATOM 1093 CB LYS A 63 -21.217 21.775 -13.135 1.00 0.00 C ATOM 1094 CG LYS A 63 -20.249 22.948 -13.286 1.00 0.00 C ATOM 1095 CD LYS A 63 -20.694 23.815 -14.468 1.00 0.00 C ATOM 1096 CE LYS A 63 -19.839 25.084 -14.516 1.00 0.00 C ATOM 1097 NZ LYS A 63 -20.257 26.038 -13.451 1.00 0.00 N ATOM 0 H LYS A 63 -20.227 21.745 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.608 22.966 -11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.667 20.839 -13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.847 21.686 -14.020 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.230 23.540 -12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.236 22.581 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.592 23.259 -15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.747 24.076 -14.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.788 24.826 -14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.935 25.557 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.815 26.964 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.292 26.141 -13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.957 25.676 -12.523 1.00 0.00 H new ATOM 1111 N LYS A 64 -22.692 19.801 -11.226 1.00 0.00 N ATOM 1112 CA LYS A 64 -23.643 18.683 -11.071 1.00 0.00 C ATOM 1113 C LYS A 64 -24.659 19.016 -9.994 1.00 0.00 C ATOM 1114 O LYS A 64 -25.430 18.171 -9.583 1.00 0.00 O ATOM 1115 CB LYS A 64 -22.864 17.426 -10.650 1.00 0.00 C ATOM 1116 CG LYS A 64 -21.939 16.998 -11.794 1.00 0.00 C ATOM 1117 CD LYS A 64 -22.782 16.454 -12.953 1.00 0.00 C ATOM 1118 CE LYS A 64 -21.896 15.589 -13.852 1.00 0.00 C ATOM 1119 NZ LYS A 64 -20.530 16.174 -13.954 1.00 0.00 N ATOM 0 H LYS A 64 -21.744 19.625 -10.892 1.00 0.00 H new ATOM 0 HA LYS A 64 -24.160 18.512 -12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -22.281 17.629 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -23.556 16.620 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -21.342 17.846 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -21.242 16.235 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -23.616 15.866 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -23.210 17.277 -13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -21.836 14.578 -13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -22.340 15.511 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.066 15.825 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.599 17.211 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.970 15.895 -13.123 1.00 0.00 H new ATOM 1133 N VAL A 65 -24.636 20.256 -9.549 1.00 0.00 N ATOM 1134 CA VAL A 65 -25.598 20.677 -8.489 1.00 0.00 C ATOM 1135 C VAL A 65 -26.212 22.038 -8.820 1.00 0.00 C ATOM 1136 O VAL A 65 -27.402 22.235 -8.674 1.00 0.00 O ATOM 1137 CB VAL A 65 -24.831 20.752 -7.134 1.00 0.00 C ATOM 1138 CG1 VAL A 65 -24.661 22.214 -6.685 1.00 0.00 C ATOM 1139 CG2 VAL A 65 -25.625 19.995 -6.068 1.00 0.00 C ATOM 0 H VAL A 65 -23.998 20.982 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 65 -26.410 19.953 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 65 -23.845 20.306 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -24.123 22.243 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -24.097 22.763 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -25.642 22.673 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -25.095 20.043 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -26.610 20.449 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -25.737 18.953 -6.369 1.00 0.00 H new ATOM 1149 N ILE A 66 -25.392 22.951 -9.256 1.00 0.00 N ATOM 1150 CA ILE A 66 -25.922 24.291 -9.596 1.00 0.00 C ATOM 1151 C ILE A 66 -26.576 24.269 -10.978 1.00 0.00 C ATOM 1152 O ILE A 66 -27.526 24.986 -11.230 1.00 0.00 O ATOM 1153 CB ILE A 66 -24.749 25.291 -9.580 1.00 0.00 C ATOM 1154 CG1 ILE A 66 -25.224 26.639 -9.057 1.00 0.00 C ATOM 1155 CG2 ILE A 66 -24.217 25.482 -11.015 1.00 0.00 C ATOM 1156 CD1 ILE A 66 -24.009 27.463 -8.632 1.00 0.00 C ATOM 0 H ILE A 66 -24.388 22.826 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 66 -26.679 24.587 -8.869 1.00 0.00 H new ATOM 0 HB ILE A 66 -23.962 24.901 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -25.785 27.166 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -25.898 26.499 -8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -23.388 26.189 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.873 24.525 -11.406 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -25.014 25.868 -11.650 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -24.340 28.431 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -23.467 26.934 -7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -23.352 27.612 -9.489 1.00 0.00 H new ATOM 1168 N ASN A 67 -26.050 23.433 -11.842 1.00 0.00 N ATOM 1169 CA ASN A 67 -26.611 23.326 -13.219 1.00 0.00 C ATOM 1170 C ASN A 67 -27.328 21.988 -13.381 1.00 0.00 C ATOM 1171 O ASN A 67 -26.746 21.046 -13.861 1.00 0.00 O ATOM 1172 CB ASN A 67 -25.444 23.396 -14.224 1.00 0.00 C ATOM 1173 CG ASN A 67 -25.953 23.050 -15.626 1.00 0.00 C ATOM 1174 OD1 ASN A 67 -27.236 22.928 -15.823 1.00 0.00 O flip ATOM 1175 ND2 ASN A 67 -25.185 22.887 -16.554 1.00 0.00 N flip ATOM 0 H ASN A 67 -25.256 22.822 -11.649 1.00 0.00 H new ATOM 0 HA ASN A 67 -27.319 24.136 -13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -25.007 24.395 -14.221 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -24.656 22.702 -13.931 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -24.180 22.981 -16.407 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -25.546 22.656 -17.480 1.00 0.00 H new ATOM 1182 N LYS A 68 -28.591 21.969 -12.951 1.00 0.00 N ATOM 1183 CA LYS A 68 -29.471 20.726 -13.025 1.00 0.00 C ATOM 1184 C LYS A 68 -29.660 20.141 -11.634 1.00 0.00 C ATOM 1185 O LYS A 68 -28.961 19.227 -11.240 1.00 0.00 O ATOM 1186 CB LYS A 68 -28.854 19.628 -13.925 1.00 0.00 C ATOM 1187 CG LYS A 68 -29.906 18.535 -14.151 1.00 0.00 C ATOM 1188 CD LYS A 68 -29.645 17.845 -15.491 1.00 0.00 C ATOM 1189 CE LYS A 68 -28.341 17.049 -15.403 1.00 0.00 C ATOM 1190 NZ LYS A 68 -28.044 16.388 -16.704 1.00 0.00 N ATOM 0 H LYS A 68 -29.057 22.780 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 68 -30.424 21.038 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -28.538 20.053 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -27.966 19.207 -13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -29.868 17.806 -13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -30.905 18.970 -14.142 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -30.474 17.182 -15.739 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -29.580 18.586 -16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.521 17.713 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -28.419 16.298 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -27.156 15.852 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.819 15.740 -16.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -27.949 17.110 -17.447 1.00 0.00 H new ATOM 1204 N LEU A 69 -30.608 20.678 -10.911 1.00 0.00 N ATOM 1205 CA LEU A 69 -30.861 20.168 -9.539 1.00 0.00 C ATOM 1206 C LEU A 69 -31.951 19.101 -9.546 1.00 0.00 C ATOM 1207 O LEU A 69 -32.807 19.089 -10.407 1.00 0.00 O ATOM 1208 CB LEU A 69 -31.315 21.350 -8.654 1.00 0.00 C ATOM 1209 CG LEU A 69 -32.745 21.765 -9.029 1.00 0.00 C ATOM 1210 CD1 LEU A 69 -33.189 22.912 -8.116 1.00 0.00 C ATOM 1211 CD2 LEU A 69 -32.774 22.243 -10.483 1.00 0.00 C ATOM 0 H LEU A 69 -31.212 21.443 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 69 -29.946 19.721 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -31.274 21.065 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -30.637 22.193 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 69 -33.415 20.914 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.204 23.212 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.164 22.581 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -32.516 23.760 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -33.789 22.538 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -32.106 23.097 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -32.447 21.435 -11.138 1.00 0.00 H new ATOM 1223 N LYS A 70 -31.897 18.226 -8.578 1.00 0.00 N ATOM 1224 CA LYS A 70 -32.916 17.153 -8.507 1.00 0.00 C ATOM 1225 C LYS A 70 -33.080 16.664 -7.072 1.00 0.00 C ATOM 1226 O LYS A 70 -34.173 16.662 -6.538 1.00 0.00 O ATOM 1227 CB LYS A 70 -32.440 15.978 -9.383 1.00 0.00 C ATOM 1228 CG LYS A 70 -33.405 14.799 -9.227 1.00 0.00 C ATOM 1229 CD LYS A 70 -34.771 15.189 -9.796 1.00 0.00 C ATOM 1230 CE LYS A 70 -35.381 13.979 -10.509 1.00 0.00 C ATOM 1231 NZ LYS A 70 -35.811 12.953 -9.517 1.00 0.00 N ATOM 0 H LYS A 70 -31.193 18.212 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 70 -33.873 17.539 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -32.391 16.286 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -31.433 15.678 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -33.017 13.924 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -33.500 14.527 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -35.430 15.525 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -34.665 16.021 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -36.235 14.295 -11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -34.652 13.548 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -36.223 12.139 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -34.989 12.640 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -36.522 13.364 -8.879 1.00 0.00 H new ATOM 1245 N THR A 71 -31.981 16.261 -6.478 1.00 0.00 N ATOM 1246 CA THR A 71 -32.028 15.763 -5.075 1.00 0.00 C ATOM 1247 C THR A 71 -31.125 16.593 -4.175 1.00 0.00 C ATOM 1248 O THR A 71 -31.094 16.402 -2.976 1.00 0.00 O ATOM 1249 CB THR A 71 -31.529 14.315 -5.066 1.00 0.00 C ATOM 1250 OG1 THR A 71 -32.256 13.664 -6.085 1.00 0.00 O ATOM 1251 CG2 THR A 71 -31.946 13.596 -3.774 1.00 0.00 C ATOM 0 H THR A 71 -31.056 16.257 -6.908 1.00 0.00 H new ATOM 0 HA THR A 71 -33.051 15.833 -4.705 1.00 0.00 H new ATOM 0 HB THR A 71 -30.445 14.299 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 71 -31.981 12.725 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 71 -31.579 12.570 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 71 -31.522 14.116 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 71 -33.033 13.591 -3.695 1.00 0.00 H new ATOM 1259 N THR A 72 -30.403 17.505 -4.767 1.00 0.00 N ATOM 1260 CA THR A 72 -29.499 18.349 -3.953 1.00 0.00 C ATOM 1261 C THR A 72 -28.709 17.490 -2.979 1.00 0.00 C ATOM 1262 O THR A 72 -28.324 17.940 -1.917 1.00 0.00 O ATOM 1263 CB THR A 72 -30.351 19.343 -3.155 1.00 0.00 C ATOM 1264 OG1 THR A 72 -31.558 19.465 -3.877 1.00 0.00 O ATOM 1265 CG2 THR A 72 -29.734 20.747 -3.196 1.00 0.00 C ATOM 0 H THR A 72 -30.403 17.697 -5.769 1.00 0.00 H new ATOM 0 HA THR A 72 -28.804 18.872 -4.610 1.00 0.00 H new ATOM 0 HB THR A 72 -30.451 18.999 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 72 -32.154 20.091 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 72 -30.356 21.435 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 72 -28.733 20.717 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 72 -29.674 21.088 -4.230 1.00 0.00 H new ATOM 1273 N SER A 73 -28.487 16.261 -3.356 1.00 0.00 N ATOM 1274 CA SER A 73 -27.724 15.351 -2.470 1.00 0.00 C ATOM 1275 C SER A 73 -27.192 14.155 -3.253 1.00 0.00 C ATOM 1276 O SER A 73 -25.982 13.997 -3.242 1.00 0.00 O ATOM 1277 CB SER A 73 -28.671 14.841 -1.373 1.00 0.00 C ATOM 1278 OG SER A 73 -28.583 15.827 -0.354 1.00 0.00 O ATOM 1279 OXT SER A 73 -28.024 13.465 -3.820 1.00 0.00 O ATOM 0 H SER A 73 -28.801 15.853 -4.236 1.00 0.00 H new ATOM 0 HA SER A 73 -26.880 15.892 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 73 -29.691 14.740 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 73 -28.366 13.861 -1.007 1.00 0.00 H new ATOM 0 HG SER A 73 -28.140 16.626 -0.709 1.00 0.00 H new TER 1285 SER A 73