USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 77 LYS NZ :NH3+ 176:sc= 0.13 (180deg=0) USER MOD Set 1.2: A 78 SER OG : rot 95:sc= 0.572 USER MOD Set 2.1: A 75 TYR OH : rot -145:sc= -0.165 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.389 X(o=-0.55,f=-0.9) USER MOD Set 3.1: A 71 GLN : amide:sc= -0.075 K(o=-0.078,f=-1) USER MOD Set 3.2: A 74 GLN : amide:sc=-0.00302 K(o=-0.078,f=-1.5) USER MOD Set 4.1: A 67 SER OG : rot 24:sc= 0.617 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.0479 K(o=0.57,f=-6!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0715 (180deg=-0.408) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 3 HIS : no HE2:sc= 0.0178 K(o=0.018,f=-0.76) USER MOD Single : A 4 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.36) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0199 X(o=0.02,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 19 HIS : no HD1:sc=-0.00171 X(o=-0.0017,f=-0.0021) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 25:sc= 0.121 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -1.28 (180deg=-1.59) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.82! C(o=-2.8!,f=-6.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= 1.05 (180deg=0.555) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.0768 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0132 (180deg=-0.131) USER MOD Single : A 79 HIS : no HE2:sc= 0.203 K(o=0.2,f=-0.71) USER MOD Single : A 91 THR OG1 : rot -36:sc= 0.527 USER MOD Single : A 92 THR OG1 : rot 150:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0.013 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.087 -1.210 -1.627 1.00 0.00 N ATOM 2 CA MET A 1 1.695 -1.102 -2.969 1.00 0.00 C ATOM 3 C MET A 1 0.605 -0.704 -3.978 1.00 0.00 C ATOM 4 O MET A 1 -0.025 -1.567 -4.608 1.00 0.00 O ATOM 5 CB MET A 1 2.386 -2.444 -3.356 1.00 0.00 C ATOM 6 CG MET A 1 3.188 -2.421 -4.665 1.00 0.00 C ATOM 7 SD MET A 1 3.898 -4.035 -5.090 1.00 0.00 S ATOM 8 CE MET A 1 4.946 -4.378 -3.674 1.00 0.00 C ATOM 0 H1 MET A 1 1.816 -1.479 -0.936 1.00 0.00 H new ATOM 0 H2 MET A 1 0.676 -0.294 -1.357 1.00 0.00 H new ATOM 0 H3 MET A 1 0.340 -1.934 -1.641 1.00 0.00 H new ATOM 0 HA MET A 1 2.467 -0.332 -2.973 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.054 -2.735 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.622 -3.217 -3.432 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.539 -2.091 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.990 -1.688 -4.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.633 -5.189 -3.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.516 -3.485 -3.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.327 -4.669 -2.825 1.00 0.00 H new ATOM 20 N HIS A 2 0.354 0.614 -4.094 1.00 0.00 N ATOM 21 CA HIS A 2 -0.676 1.162 -4.995 1.00 0.00 C ATOM 22 C HIS A 2 -0.229 2.531 -5.533 1.00 0.00 C ATOM 23 O HIS A 2 0.444 3.297 -4.826 1.00 0.00 O ATOM 24 CB HIS A 2 -2.046 1.290 -4.269 1.00 0.00 C ATOM 25 CG HIS A 2 -2.126 2.394 -3.234 1.00 0.00 C ATOM 26 ND1 HIS A 2 -2.839 3.559 -3.432 1.00 0.00 N ATOM 27 CD2 HIS A 2 -1.562 2.514 -2.007 1.00 0.00 C ATOM 28 CE1 HIS A 2 -2.705 4.343 -2.381 1.00 0.00 C ATOM 29 NE2 HIS A 2 -1.939 3.735 -1.501 1.00 0.00 N ATOM 0 H HIS A 2 0.859 1.327 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.801 0.473 -5.830 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -2.821 1.458 -5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.272 0.341 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.933 1.785 -1.518 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.149 5.320 -2.262 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -1.669 4.109 -0.591 1.00 0.00 H new ATOM 38 N HIS A 3 -0.607 2.814 -6.780 1.00 0.00 N ATOM 39 CA HIS A 3 -0.427 4.128 -7.413 1.00 0.00 C ATOM 40 C HIS A 3 -1.500 4.276 -8.494 1.00 0.00 C ATOM 41 O HIS A 3 -2.205 5.292 -8.549 1.00 0.00 O ATOM 42 CB HIS A 3 0.991 4.279 -8.023 1.00 0.00 C ATOM 43 CG HIS A 3 1.247 5.631 -8.652 1.00 0.00 C ATOM 44 ND1 HIS A 3 0.767 5.990 -9.897 1.00 0.00 N ATOM 45 CD2 HIS A 3 1.916 6.718 -8.191 1.00 0.00 C ATOM 46 CE1 HIS A 3 1.123 7.228 -10.169 1.00 0.00 C ATOM 47 NE2 HIS A 3 1.822 7.694 -9.152 1.00 0.00 N ATOM 0 H HIS A 3 -1.054 2.130 -7.390 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.529 4.913 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.732 4.106 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.136 3.505 -8.777 1.00 0.00 H new ATOM 0 HD1 HIS A 3 0.220 5.387 -10.512 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.428 6.800 -7.243 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.883 7.770 -11.072 1.00 0.00 H new ATOM 56 N HIS A 4 -1.589 3.234 -9.355 1.00 0.00 N ATOM 57 CA HIS A 4 -2.627 3.090 -10.404 1.00 0.00 C ATOM 58 C HIS A 4 -2.452 4.115 -11.550 1.00 0.00 C ATOM 59 O HIS A 4 -1.871 5.197 -11.368 1.00 0.00 O ATOM 60 CB HIS A 4 -4.069 3.172 -9.818 1.00 0.00 C ATOM 61 CG HIS A 4 -4.383 2.153 -8.753 1.00 0.00 C ATOM 62 ND1 HIS A 4 -5.011 0.956 -9.020 1.00 0.00 N ATOM 63 CD2 HIS A 4 -4.165 2.166 -7.418 1.00 0.00 C ATOM 64 CE1 HIS A 4 -5.163 0.279 -7.903 1.00 0.00 C ATOM 65 NE2 HIS A 4 -4.657 0.990 -6.916 1.00 0.00 N ATOM 0 H HIS A 4 -0.930 2.456 -9.340 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.490 2.094 -10.825 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.220 4.168 -9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.783 3.055 -10.633 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.692 2.956 -6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.624 -0.693 -7.811 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.635 0.710 -5.935 1.00 0.00 H new ATOM 74 N HIS A 5 -2.948 3.735 -12.742 1.00 0.00 N ATOM 75 CA HIS A 5 -2.952 4.574 -13.962 1.00 0.00 C ATOM 76 C HIS A 5 -4.138 4.165 -14.861 1.00 0.00 C ATOM 77 O HIS A 5 -4.451 2.972 -14.984 1.00 0.00 O ATOM 78 CB HIS A 5 -1.621 4.441 -14.772 1.00 0.00 C ATOM 79 CG HIS A 5 -0.437 5.186 -14.204 1.00 0.00 C ATOM 80 ND1 HIS A 5 0.780 4.593 -13.954 1.00 0.00 N ATOM 81 CD2 HIS A 5 -0.277 6.496 -13.896 1.00 0.00 C ATOM 82 CE1 HIS A 5 1.635 5.497 -13.523 1.00 0.00 C ATOM 83 NE2 HIS A 5 1.020 6.660 -13.478 1.00 0.00 N ATOM 0 H HIS A 5 -3.367 2.817 -12.890 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.049 5.613 -13.648 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -1.363 3.384 -14.843 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.797 4.795 -15.788 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -1.030 7.267 -13.966 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.665 5.315 -13.253 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.440 7.541 -13.181 1.00 0.00 H new ATOM 92 N HIS A 6 -4.791 5.165 -15.477 1.00 0.00 N ATOM 93 CA HIS A 6 -5.814 4.950 -16.510 1.00 0.00 C ATOM 94 C HIS A 6 -5.116 4.750 -17.863 1.00 0.00 C ATOM 95 O HIS A 6 -4.810 5.717 -18.573 1.00 0.00 O ATOM 96 CB HIS A 6 -6.819 6.139 -16.558 1.00 0.00 C ATOM 97 CG HIS A 6 -7.766 6.198 -15.388 1.00 0.00 C ATOM 98 ND1 HIS A 6 -9.134 6.186 -15.531 1.00 0.00 N ATOM 99 CD2 HIS A 6 -7.535 6.273 -14.056 1.00 0.00 C ATOM 100 CE1 HIS A 6 -9.702 6.247 -14.346 1.00 0.00 C ATOM 101 NE2 HIS A 6 -8.757 6.300 -13.430 1.00 0.00 N ATOM 0 H HIS A 6 -4.622 6.149 -15.270 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.393 4.058 -16.271 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.258 7.072 -16.603 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.400 6.071 -17.478 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.569 6.306 -13.575 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.765 6.253 -14.156 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.908 6.352 -12.423 1.00 0.00 H new ATOM 110 N HIS A 7 -4.809 3.479 -18.168 1.00 0.00 N ATOM 111 CA HIS A 7 -4.149 3.082 -19.418 1.00 0.00 C ATOM 112 C HIS A 7 -5.181 3.016 -20.556 1.00 0.00 C ATOM 113 O HIS A 7 -6.083 2.173 -20.534 1.00 0.00 O ATOM 114 CB HIS A 7 -3.441 1.707 -19.253 1.00 0.00 C ATOM 115 CG HIS A 7 -2.800 1.186 -20.516 1.00 0.00 C ATOM 116 ND1 HIS A 7 -3.179 0.006 -21.121 1.00 0.00 N ATOM 117 CD2 HIS A 7 -1.819 1.703 -21.297 1.00 0.00 C ATOM 118 CE1 HIS A 7 -2.471 -0.177 -22.216 1.00 0.00 C ATOM 119 NE2 HIS A 7 -1.638 0.837 -22.348 1.00 0.00 N ATOM 0 H HIS A 7 -5.014 2.695 -17.549 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.393 3.828 -19.665 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.677 1.795 -18.481 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.169 0.976 -18.900 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.281 2.623 -21.125 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.558 -1.015 -22.891 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.968 0.959 -23.107 1.00 0.00 H new ATOM 128 N SER A 8 -5.044 3.921 -21.528 1.00 0.00 N ATOM 129 CA SER A 8 -5.836 3.914 -22.769 1.00 0.00 C ATOM 130 C SER A 8 -5.171 2.979 -23.809 1.00 0.00 C ATOM 131 O SER A 8 -4.130 2.364 -23.535 1.00 0.00 O ATOM 132 CB SER A 8 -5.954 5.364 -23.299 1.00 0.00 C ATOM 133 OG SER A 8 -6.779 5.448 -24.459 1.00 0.00 O ATOM 0 H SER A 8 -4.374 4.689 -21.479 1.00 0.00 H new ATOM 0 HA SER A 8 -6.839 3.534 -22.577 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.364 6.003 -22.517 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.960 5.745 -23.534 1.00 0.00 H new ATOM 0 HG SER A 8 -6.828 6.380 -24.759 1.00 0.00 H new ATOM 139 N SER A 9 -5.782 2.861 -24.996 1.00 0.00 N ATOM 140 CA SER A 9 -5.279 2.006 -26.084 1.00 0.00 C ATOM 141 C SER A 9 -5.233 2.801 -27.401 1.00 0.00 C ATOM 142 O SER A 9 -6.204 3.490 -27.752 1.00 0.00 O ATOM 143 CB SER A 9 -6.173 0.754 -26.210 1.00 0.00 C ATOM 144 OG SER A 9 -6.178 0.018 -24.994 1.00 0.00 O ATOM 0 H SER A 9 -6.642 3.357 -25.231 1.00 0.00 H new ATOM 0 HA SER A 9 -4.264 1.680 -25.858 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.190 1.051 -26.466 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.812 0.123 -27.022 1.00 0.00 H new ATOM 0 HG SER A 9 -6.751 -0.771 -25.092 1.00 0.00 H new ATOM 150 N GLY A 10 -4.093 2.702 -28.114 1.00 0.00 N ATOM 151 CA GLY A 10 -3.887 3.409 -29.379 1.00 0.00 C ATOM 152 C GLY A 10 -4.695 2.813 -30.528 1.00 0.00 C ATOM 153 O GLY A 10 -4.860 1.589 -30.607 1.00 0.00 O ATOM 0 H GLY A 10 -3.298 2.132 -27.825 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.161 4.456 -29.253 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.828 3.385 -29.635 1.00 0.00 H new ATOM 157 N ARG A 11 -5.196 3.684 -31.418 1.00 0.00 N ATOM 158 CA ARG A 11 -6.049 3.294 -32.551 1.00 0.00 C ATOM 159 C ARG A 11 -5.173 3.038 -33.786 1.00 0.00 C ATOM 160 O ARG A 11 -4.537 3.966 -34.306 1.00 0.00 O ATOM 161 CB ARG A 11 -7.094 4.412 -32.824 1.00 0.00 C ATOM 162 CG ARG A 11 -7.918 4.820 -31.579 1.00 0.00 C ATOM 163 CD ARG A 11 -8.766 3.665 -31.006 1.00 0.00 C ATOM 164 NE ARG A 11 -9.291 3.972 -29.660 1.00 0.00 N ATOM 165 CZ ARG A 11 -10.390 4.701 -29.392 1.00 0.00 C ATOM 166 NH1 ARG A 11 -11.112 5.257 -30.369 1.00 0.00 N ATOM 167 NH2 ARG A 11 -10.755 4.883 -28.132 1.00 0.00 N ATOM 0 H ARG A 11 -5.019 4.687 -31.371 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.586 2.375 -32.316 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.578 5.291 -33.210 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.776 4.075 -33.604 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.241 5.183 -30.806 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.575 5.649 -31.842 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.597 3.458 -31.680 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.160 2.760 -30.960 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.775 3.599 -28.863 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.834 5.133 -31.342 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.941 5.805 -30.141 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.205 4.473 -27.377 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.586 5.434 -27.916 1.00 0.00 H new ATOM 181 N GLU A 12 -5.105 1.767 -34.215 1.00 0.00 N ATOM 182 CA GLU A 12 -4.314 1.351 -35.384 1.00 0.00 C ATOM 183 C GLU A 12 -5.068 1.712 -36.682 1.00 0.00 C ATOM 184 O GLU A 12 -5.800 0.887 -37.252 1.00 0.00 O ATOM 185 CB GLU A 12 -4.005 -0.170 -35.306 1.00 0.00 C ATOM 186 CG GLU A 12 -3.302 -0.613 -34.006 1.00 0.00 C ATOM 187 CD GLU A 12 -3.037 -2.127 -33.950 1.00 0.00 C ATOM 188 OE1 GLU A 12 -2.042 -2.591 -34.549 1.00 0.00 O ATOM 189 OE2 GLU A 12 -3.821 -2.868 -33.317 1.00 0.00 O ATOM 0 H GLU A 12 -5.598 0.998 -33.760 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.363 1.883 -35.388 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.939 -0.723 -35.406 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.379 -0.445 -36.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.355 -0.081 -33.912 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.915 -0.326 -33.152 1.00 0.00 H new ATOM 196 N ASN A 13 -4.908 2.975 -37.118 1.00 0.00 N ATOM 197 CA ASN A 13 -5.665 3.544 -38.245 1.00 0.00 C ATOM 198 C ASN A 13 -4.960 3.240 -39.582 1.00 0.00 C ATOM 199 O ASN A 13 -4.229 4.083 -40.124 1.00 0.00 O ATOM 200 CB ASN A 13 -5.879 5.069 -38.038 1.00 0.00 C ATOM 201 CG ASN A 13 -6.866 5.682 -39.040 1.00 0.00 C ATOM 202 OD1 ASN A 13 -8.069 5.720 -38.792 1.00 0.00 O ATOM 203 ND2 ASN A 13 -6.370 6.143 -40.181 1.00 0.00 N ATOM 0 H ASN A 13 -4.249 3.630 -36.697 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.648 3.075 -38.282 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.243 5.244 -37.026 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.920 5.579 -38.124 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.992 6.544 -40.883 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.366 6.097 -40.356 1.00 0.00 H new ATOM 210 N LEU A 14 -5.149 1.993 -40.048 1.00 0.00 N ATOM 211 CA LEU A 14 -4.728 1.526 -41.383 1.00 0.00 C ATOM 212 C LEU A 14 -5.306 0.122 -41.642 1.00 0.00 C ATOM 213 O LEU A 14 -5.590 -0.627 -40.698 1.00 0.00 O ATOM 214 CB LEU A 14 -3.172 1.498 -41.580 1.00 0.00 C ATOM 215 CG LEU A 14 -2.356 0.383 -40.833 1.00 0.00 C ATOM 216 CD1 LEU A 14 -0.901 0.330 -41.349 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.394 0.567 -39.297 1.00 0.00 C ATOM 0 H LEU A 14 -5.607 1.267 -39.498 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.118 2.247 -42.102 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.972 1.401 -42.647 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.778 2.466 -41.269 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.834 -0.572 -41.053 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.355 -0.449 -40.818 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.901 0.109 -42.416 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.419 1.292 -41.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.817 -0.226 -38.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.965 1.535 -39.036 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.427 0.522 -38.951 1.00 0.00 H new ATOM 229 N TYR A 15 -5.474 -0.216 -42.926 1.00 0.00 N ATOM 230 CA TYR A 15 -5.913 -1.548 -43.361 1.00 0.00 C ATOM 231 C TYR A 15 -4.735 -2.542 -43.240 1.00 0.00 C ATOM 232 O TYR A 15 -3.882 -2.647 -44.125 1.00 0.00 O ATOM 233 CB TYR A 15 -6.515 -1.493 -44.808 1.00 0.00 C ATOM 234 CG TYR A 15 -5.559 -1.023 -45.932 1.00 0.00 C ATOM 235 CD1 TYR A 15 -5.090 0.294 -45.995 1.00 0.00 C ATOM 236 CD2 TYR A 15 -5.121 -1.908 -46.929 1.00 0.00 C ATOM 237 CE1 TYR A 15 -4.234 0.708 -46.996 1.00 0.00 C ATOM 238 CE2 TYR A 15 -4.263 -1.493 -47.934 1.00 0.00 C ATOM 239 CZ TYR A 15 -3.823 -0.185 -47.963 1.00 0.00 C ATOM 240 OH TYR A 15 -2.966 0.237 -48.966 1.00 0.00 O ATOM 0 H TYR A 15 -5.308 0.431 -43.697 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.714 -1.902 -42.712 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.881 -2.487 -45.064 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -7.379 -0.829 -44.794 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.405 1.003 -45.243 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.460 -2.933 -46.912 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.887 1.730 -47.022 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.939 -2.190 -48.692 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.771 -0.512 -49.567 1.00 0.00 H new ATOM 250 N PHE A 16 -4.675 -3.258 -42.103 1.00 0.00 N ATOM 251 CA PHE A 16 -3.577 -4.215 -41.817 1.00 0.00 C ATOM 252 C PHE A 16 -3.928 -5.632 -42.353 1.00 0.00 C ATOM 253 O PHE A 16 -3.378 -6.641 -41.902 1.00 0.00 O ATOM 254 CB PHE A 16 -3.272 -4.213 -40.287 1.00 0.00 C ATOM 255 CG PHE A 16 -1.879 -4.743 -39.917 1.00 0.00 C ATOM 256 CD1 PHE A 16 -1.706 -5.985 -39.299 1.00 0.00 C ATOM 257 CD2 PHE A 16 -0.735 -3.995 -40.208 1.00 0.00 C ATOM 258 CE1 PHE A 16 -0.443 -6.456 -38.983 1.00 0.00 C ATOM 259 CE2 PHE A 16 0.525 -4.468 -39.890 1.00 0.00 C ATOM 260 CZ PHE A 16 0.671 -5.697 -39.280 1.00 0.00 C ATOM 0 H PHE A 16 -5.373 -3.196 -41.362 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.672 -3.903 -42.338 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.372 -3.195 -39.910 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.024 -4.816 -39.778 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.572 -6.587 -39.064 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.836 -3.033 -40.688 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.329 -7.417 -38.504 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.397 -3.874 -40.120 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.656 -6.065 -39.035 1.00 0.00 H new ATOM 270 N GLN A 17 -4.837 -5.681 -43.348 1.00 0.00 N ATOM 271 CA GLN A 17 -5.208 -6.922 -44.057 1.00 0.00 C ATOM 272 C GLN A 17 -4.025 -7.465 -44.891 1.00 0.00 C ATOM 273 O GLN A 17 -3.837 -8.684 -44.993 1.00 0.00 O ATOM 274 CB GLN A 17 -6.436 -6.665 -44.979 1.00 0.00 C ATOM 275 CG GLN A 17 -6.235 -5.550 -46.034 1.00 0.00 C ATOM 276 CD GLN A 17 -7.461 -5.314 -46.918 1.00 0.00 C ATOM 277 OE1 GLN A 17 -8.328 -4.500 -46.598 1.00 0.00 O ATOM 278 NE2 GLN A 17 -7.545 -6.037 -48.027 1.00 0.00 N ATOM 0 H GLN A 17 -5.336 -4.857 -43.683 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.469 -7.672 -43.310 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.686 -7.592 -45.494 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.292 -6.406 -44.356 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.981 -4.621 -45.524 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.386 -5.809 -46.667 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.807 -6.702 -48.260 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.347 -5.928 -48.647 1.00 0.00 H new ATOM 287 N GLY A 18 -3.234 -6.537 -45.475 1.00 0.00 N ATOM 288 CA GLY A 18 -2.138 -6.886 -46.381 1.00 0.00 C ATOM 289 C GLY A 18 -2.619 -7.299 -47.773 1.00 0.00 C ATOM 290 O GLY A 18 -3.744 -7.795 -47.936 1.00 0.00 O ATOM 0 H GLY A 18 -3.343 -5.534 -45.327 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.466 -6.033 -46.474 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.560 -7.702 -45.946 1.00 0.00 H new ATOM 294 N HIS A 19 -1.757 -7.102 -48.779 1.00 0.00 N ATOM 295 CA HIS A 19 -2.011 -7.528 -50.168 1.00 0.00 C ATOM 296 C HIS A 19 -1.161 -8.778 -50.468 1.00 0.00 C ATOM 297 O HIS A 19 0.047 -8.770 -50.226 1.00 0.00 O ATOM 298 CB HIS A 19 -1.659 -6.370 -51.147 1.00 0.00 C ATOM 299 CG HIS A 19 -2.018 -6.619 -52.596 1.00 0.00 C ATOM 300 ND1 HIS A 19 -3.089 -6.010 -53.219 1.00 0.00 N ATOM 301 CD2 HIS A 19 -1.432 -7.394 -53.548 1.00 0.00 C ATOM 302 CE1 HIS A 19 -3.146 -6.397 -54.478 1.00 0.00 C ATOM 303 NE2 HIS A 19 -2.153 -7.235 -54.702 1.00 0.00 N ATOM 0 H HIS A 19 -0.856 -6.640 -48.655 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.065 -7.774 -50.299 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.169 -5.466 -50.813 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.589 -6.174 -51.083 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.560 -8.018 -53.418 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.881 -6.081 -55.203 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.954 -7.692 -55.592 1.00 0.00 H new ATOM 312 N MET A 20 -1.796 -9.839 -50.991 1.00 0.00 N ATOM 313 CA MET A 20 -1.111 -11.087 -51.374 1.00 0.00 C ATOM 314 C MET A 20 -1.798 -11.704 -52.602 1.00 0.00 C ATOM 315 O MET A 20 -2.990 -12.026 -52.550 1.00 0.00 O ATOM 316 CB MET A 20 -1.109 -12.104 -50.193 1.00 0.00 C ATOM 317 CG MET A 20 -0.459 -13.460 -50.522 1.00 0.00 C ATOM 318 SD MET A 20 -0.497 -14.621 -49.132 1.00 0.00 S ATOM 319 CE MET A 20 0.245 -16.086 -49.862 1.00 0.00 C ATOM 0 H MET A 20 -2.802 -9.857 -51.161 1.00 0.00 H new ATOM 0 HA MET A 20 -0.076 -10.851 -51.622 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.584 -11.659 -49.347 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.138 -12.275 -49.876 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.973 -13.905 -51.374 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.576 -13.297 -50.823 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.286 -16.882 -49.119 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.355 -16.413 -50.711 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.255 -15.853 -50.199 1.00 0.00 H new ATOM 329 N ALA A 21 -1.039 -11.845 -53.704 1.00 0.00 N ATOM 330 CA ALA A 21 -1.483 -12.580 -54.898 1.00 0.00 C ATOM 331 C ALA A 21 -1.367 -14.086 -54.637 1.00 0.00 C ATOM 332 O ALA A 21 -0.303 -14.563 -54.224 1.00 0.00 O ATOM 333 CB ALA A 21 -0.650 -12.177 -56.125 1.00 0.00 C ATOM 0 H ALA A 21 -0.102 -11.452 -53.790 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.524 -12.331 -55.106 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.995 -12.732 -56.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.764 -11.108 -56.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.400 -12.404 -55.942 1.00 0.00 H new ATOM 339 N SER A 22 -2.464 -14.822 -54.864 1.00 0.00 N ATOM 340 CA SER A 22 -2.525 -16.269 -54.600 1.00 0.00 C ATOM 341 C SER A 22 -3.549 -16.956 -55.533 1.00 0.00 C ATOM 342 O SER A 22 -4.298 -16.286 -56.257 1.00 0.00 O ATOM 343 CB SER A 22 -2.858 -16.526 -53.105 1.00 0.00 C ATOM 344 OG SER A 22 -2.776 -17.907 -52.779 1.00 0.00 O ATOM 0 H SER A 22 -3.332 -14.434 -55.234 1.00 0.00 H new ATOM 0 HA SER A 22 -1.549 -16.705 -54.810 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.169 -15.962 -52.476 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.861 -16.159 -52.887 1.00 0.00 H new ATOM 0 HG SER A 22 -2.990 -18.033 -51.831 1.00 0.00 H new ATOM 350 N GLY A 23 -3.554 -18.305 -55.516 1.00 0.00 N ATOM 351 CA GLY A 23 -4.445 -19.110 -56.356 1.00 0.00 C ATOM 352 C GLY A 23 -3.856 -19.353 -57.742 1.00 0.00 C ATOM 353 O GLY A 23 -3.291 -20.422 -58.004 1.00 0.00 O ATOM 0 H GLY A 23 -2.940 -18.859 -54.919 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.636 -20.067 -55.870 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.406 -18.605 -56.454 1.00 0.00 H new ATOM 357 N SER A 24 -3.967 -18.339 -58.623 1.00 0.00 N ATOM 358 CA SER A 24 -3.486 -18.415 -60.020 1.00 0.00 C ATOM 359 C SER A 24 -1.939 -18.397 -60.096 1.00 0.00 C ATOM 360 O SER A 24 -1.353 -18.960 -61.030 1.00 0.00 O ATOM 361 CB SER A 24 -4.080 -17.247 -60.839 1.00 0.00 C ATOM 362 OG SER A 24 -5.500 -17.234 -60.768 1.00 0.00 O ATOM 0 H SER A 24 -4.393 -17.443 -58.387 1.00 0.00 H new ATOM 0 HA SER A 24 -3.821 -19.362 -60.443 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.687 -16.302 -60.465 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.767 -17.334 -61.879 1.00 0.00 H new ATOM 0 HG SER A 24 -5.847 -16.483 -61.294 1.00 0.00 H new ATOM 368 N GLU A 25 -1.292 -17.750 -59.102 1.00 0.00 N ATOM 369 CA GLU A 25 0.177 -17.617 -59.052 1.00 0.00 C ATOM 370 C GLU A 25 0.820 -18.928 -58.548 1.00 0.00 C ATOM 371 O GLU A 25 1.035 -19.095 -57.347 1.00 0.00 O ATOM 372 CB GLU A 25 0.594 -16.410 -58.155 1.00 0.00 C ATOM 373 CG GLU A 25 2.113 -16.129 -58.154 1.00 0.00 C ATOM 374 CD GLU A 25 2.535 -15.028 -57.172 1.00 0.00 C ATOM 375 OE1 GLU A 25 3.042 -15.351 -56.079 1.00 0.00 O ATOM 376 OE2 GLU A 25 2.367 -13.829 -57.484 1.00 0.00 O ATOM 0 H GLU A 25 -1.771 -17.309 -58.317 1.00 0.00 H new ATOM 0 HA GLU A 25 0.540 -17.424 -60.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.069 -15.518 -58.496 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.268 -16.600 -57.132 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.644 -17.048 -57.906 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.422 -15.845 -59.160 1.00 0.00 H new ATOM 383 N GLU A 26 1.070 -19.858 -59.494 1.00 0.00 N ATOM 384 CA GLU A 26 1.764 -21.146 -59.251 1.00 0.00 C ATOM 385 C GLU A 26 1.016 -22.019 -58.206 1.00 0.00 C ATOM 386 O GLU A 26 0.145 -22.817 -58.577 1.00 0.00 O ATOM 387 CB GLU A 26 3.257 -20.906 -58.875 1.00 0.00 C ATOM 388 CG GLU A 26 4.045 -20.126 -59.948 1.00 0.00 C ATOM 389 CD GLU A 26 5.461 -19.732 -59.498 1.00 0.00 C ATOM 390 OE1 GLU A 26 6.399 -20.552 -59.638 1.00 0.00 O ATOM 391 OE2 GLU A 26 5.645 -18.600 -58.995 1.00 0.00 O ATOM 0 H GLU A 26 0.791 -19.735 -60.467 1.00 0.00 H new ATOM 0 HA GLU A 26 1.753 -21.716 -60.180 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.303 -20.359 -57.933 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.741 -21.869 -58.709 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.114 -20.733 -60.851 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.491 -19.225 -60.212 1.00 0.00 H new ATOM 398 N GLU A 27 1.337 -21.800 -56.906 1.00 0.00 N ATOM 399 CA GLU A 27 0.766 -22.537 -55.750 1.00 0.00 C ATOM 400 C GLU A 27 0.972 -24.059 -55.939 1.00 0.00 C ATOM 401 O GLU A 27 0.024 -24.805 -56.223 1.00 0.00 O ATOM 402 CB GLU A 27 -0.743 -22.153 -55.525 1.00 0.00 C ATOM 403 CG GLU A 27 -1.253 -22.180 -54.059 1.00 0.00 C ATOM 404 CD GLU A 27 -1.148 -23.556 -53.385 1.00 0.00 C ATOM 405 OE1 GLU A 27 -0.312 -23.732 -52.468 1.00 0.00 O ATOM 406 OE2 GLU A 27 -1.890 -24.484 -53.793 1.00 0.00 O ATOM 0 H GLU A 27 2.015 -21.091 -56.626 1.00 0.00 H new ATOM 0 HA GLU A 27 1.295 -22.246 -54.843 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.903 -21.151 -55.924 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.359 -22.833 -56.113 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.685 -21.456 -53.474 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.294 -21.857 -54.041 1.00 0.00 H new ATOM 413 N VAL A 28 2.239 -24.477 -55.832 1.00 0.00 N ATOM 414 CA VAL A 28 2.683 -25.863 -56.101 1.00 0.00 C ATOM 415 C VAL A 28 3.041 -26.591 -54.793 1.00 0.00 C ATOM 416 O VAL A 28 3.280 -25.949 -53.765 1.00 0.00 O ATOM 417 CB VAL A 28 3.915 -25.872 -57.088 1.00 0.00 C ATOM 418 CG1 VAL A 28 3.496 -25.376 -58.495 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.093 -25.029 -56.528 1.00 0.00 C ATOM 0 H VAL A 28 3.000 -23.858 -55.553 1.00 0.00 H new ATOM 0 HA VAL A 28 1.856 -26.394 -56.572 1.00 0.00 H new ATOM 0 HB VAL A 28 4.261 -26.901 -57.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.361 -25.391 -59.158 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.721 -26.029 -58.895 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.111 -24.359 -58.423 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.926 -25.055 -57.231 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.768 -23.998 -56.388 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.413 -25.441 -55.571 1.00 0.00 H new ATOM 429 N VAL A 29 3.063 -27.938 -54.845 1.00 0.00 N ATOM 430 CA VAL A 29 3.377 -28.784 -53.672 1.00 0.00 C ATOM 431 C VAL A 29 4.904 -28.944 -53.487 1.00 0.00 C ATOM 432 O VAL A 29 5.665 -28.938 -54.460 1.00 0.00 O ATOM 433 CB VAL A 29 2.680 -30.198 -53.764 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.136 -30.052 -53.749 1.00 0.00 C ATOM 435 CG2 VAL A 29 3.158 -30.994 -55.010 1.00 0.00 C ATOM 0 H VAL A 29 2.865 -28.468 -55.694 1.00 0.00 H new ATOM 0 HA VAL A 29 2.977 -28.272 -52.796 1.00 0.00 H new ATOM 0 HB VAL A 29 2.975 -30.770 -52.884 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.677 -31.038 -53.813 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.825 -29.567 -52.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.819 -29.448 -54.599 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.656 -31.961 -55.038 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.918 -30.434 -55.914 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.236 -31.146 -54.953 1.00 0.00 H new ATOM 445 N SER A 30 5.324 -29.069 -52.216 1.00 0.00 N ATOM 446 CA SER A 30 6.725 -29.287 -51.823 1.00 0.00 C ATOM 447 C SER A 30 6.751 -29.924 -50.422 1.00 0.00 C ATOM 448 O SER A 30 6.190 -29.367 -49.472 1.00 0.00 O ATOM 449 CB SER A 30 7.523 -27.956 -51.853 1.00 0.00 C ATOM 450 OG SER A 30 6.885 -26.948 -51.082 1.00 0.00 O ATOM 0 H SER A 30 4.688 -29.020 -51.420 1.00 0.00 H new ATOM 0 HA SER A 30 7.205 -29.961 -52.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.529 -28.126 -51.470 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.627 -27.616 -52.883 1.00 0.00 H new ATOM 0 HG SER A 30 6.326 -27.367 -50.394 1.00 0.00 H new ATOM 456 N VAL A 31 7.377 -31.103 -50.316 1.00 0.00 N ATOM 457 CA VAL A 31 7.448 -31.885 -49.072 1.00 0.00 C ATOM 458 C VAL A 31 8.848 -31.721 -48.454 1.00 0.00 C ATOM 459 O VAL A 31 9.855 -31.978 -49.120 1.00 0.00 O ATOM 460 CB VAL A 31 7.144 -33.412 -49.345 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.221 -34.252 -48.046 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.767 -33.588 -50.043 1.00 0.00 C ATOM 0 H VAL A 31 7.855 -31.547 -51.100 1.00 0.00 H new ATOM 0 HA VAL A 31 6.694 -31.516 -48.377 1.00 0.00 H new ATOM 0 HB VAL A 31 7.916 -33.784 -50.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.006 -35.296 -48.274 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.221 -34.172 -47.620 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.490 -33.880 -47.328 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.581 -34.647 -50.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.981 -33.184 -49.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.771 -33.057 -50.995 1.00 0.00 H new ATOM 472 N GLU A 32 8.905 -31.269 -47.190 1.00 0.00 N ATOM 473 CA GLU A 32 10.165 -31.113 -46.450 1.00 0.00 C ATOM 474 C GLU A 32 10.590 -32.453 -45.827 1.00 0.00 C ATOM 475 O GLU A 32 9.901 -33.002 -44.961 1.00 0.00 O ATOM 476 CB GLU A 32 10.025 -30.011 -45.369 1.00 0.00 C ATOM 477 CG GLU A 32 9.859 -28.593 -45.946 1.00 0.00 C ATOM 478 CD GLU A 32 9.615 -27.524 -44.870 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.585 -26.874 -44.421 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.442 -27.324 -44.475 1.00 0.00 O ATOM 0 H GLU A 32 8.079 -31.002 -46.654 1.00 0.00 H new ATOM 0 HA GLU A 32 10.945 -30.803 -47.146 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.165 -30.240 -44.739 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.905 -30.031 -44.727 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.753 -28.332 -46.512 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.025 -28.589 -46.648 1.00 0.00 H new ATOM 487 N LEU A 33 11.724 -32.973 -46.314 1.00 0.00 N ATOM 488 CA LEU A 33 12.318 -34.256 -45.867 1.00 0.00 C ATOM 489 C LEU A 33 13.341 -33.992 -44.716 1.00 0.00 C ATOM 490 O LEU A 33 13.645 -32.824 -44.440 1.00 0.00 O ATOM 491 CB LEU A 33 12.954 -34.978 -47.117 1.00 0.00 C ATOM 492 CG LEU A 33 11.993 -35.849 -47.990 1.00 0.00 C ATOM 493 CD1 LEU A 33 11.448 -37.051 -47.200 1.00 0.00 C ATOM 494 CD2 LEU A 33 10.848 -35.012 -48.565 1.00 0.00 C ATOM 0 H LEU A 33 12.270 -32.512 -47.042 1.00 0.00 H new ATOM 0 HA LEU A 33 11.559 -34.921 -45.455 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.401 -34.218 -47.758 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.765 -35.615 -46.765 1.00 0.00 H new ATOM 0 HG LEU A 33 12.578 -36.236 -48.825 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.784 -37.634 -47.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.278 -37.677 -46.871 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.896 -36.695 -46.330 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.199 -35.648 -49.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.272 -34.574 -47.750 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.256 -34.217 -49.189 1.00 0.00 H new ATOM 506 N PRO A 34 13.851 -35.057 -43.982 1.00 0.00 N ATOM 507 CA PRO A 34 14.798 -34.872 -42.840 1.00 0.00 C ATOM 508 C PRO A 34 16.111 -34.115 -43.187 1.00 0.00 C ATOM 509 O PRO A 34 16.682 -34.301 -44.268 1.00 0.00 O ATOM 510 CB PRO A 34 15.094 -36.325 -42.360 1.00 0.00 C ATOM 511 CG PRO A 34 14.675 -37.200 -43.500 1.00 0.00 C ATOM 512 CD PRO A 34 13.497 -36.499 -44.125 1.00 0.00 C ATOM 0 HA PRO A 34 14.349 -34.234 -42.079 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.151 -36.457 -42.128 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.537 -36.563 -41.454 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.485 -37.325 -44.218 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.401 -38.196 -43.152 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.367 -36.781 -45.170 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.566 -36.739 -43.612 1.00 0.00 H new ATOM 520 N ALA A 35 16.576 -33.284 -42.225 1.00 0.00 N ATOM 521 CA ALA A 35 17.779 -32.425 -42.361 1.00 0.00 C ATOM 522 C ALA A 35 18.538 -32.301 -41.017 1.00 0.00 C ATOM 523 O ALA A 35 17.998 -32.681 -39.971 1.00 0.00 O ATOM 524 CB ALA A 35 17.366 -31.016 -42.829 1.00 0.00 C ATOM 0 H ALA A 35 16.120 -33.189 -41.318 1.00 0.00 H new ATOM 0 HA ALA A 35 18.437 -32.890 -43.095 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.253 -30.390 -42.927 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.863 -31.086 -43.794 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.689 -30.574 -42.098 1.00 0.00 H new ATOM 530 N PRO A 36 19.813 -31.768 -41.027 1.00 0.00 N ATOM 531 CA PRO A 36 20.468 -31.229 -39.803 1.00 0.00 C ATOM 532 C PRO A 36 19.713 -29.998 -39.251 1.00 0.00 C ATOM 533 O PRO A 36 18.923 -29.373 -39.962 1.00 0.00 O ATOM 534 CB PRO A 36 21.895 -30.844 -40.286 1.00 0.00 C ATOM 535 CG PRO A 36 21.755 -30.684 -41.764 1.00 0.00 C ATOM 536 CD PRO A 36 20.732 -31.710 -42.196 1.00 0.00 C ATOM 0 HA PRO A 36 20.479 -31.949 -38.984 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.238 -29.922 -39.817 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.621 -31.618 -40.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.429 -29.676 -42.019 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.708 -30.847 -42.267 1.00 0.00 H new ATOM 0 HD2 PRO A 36 20.213 -31.406 -43.105 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.190 -32.678 -42.399 1.00 0.00 H new ATOM 544 N SER A 37 19.990 -29.658 -37.986 1.00 0.00 N ATOM 545 CA SER A 37 19.315 -28.555 -37.271 1.00 0.00 C ATOM 546 C SER A 37 19.752 -27.169 -37.788 1.00 0.00 C ATOM 547 O SER A 37 19.012 -26.193 -37.650 1.00 0.00 O ATOM 548 CB SER A 37 19.582 -28.688 -35.754 1.00 0.00 C ATOM 549 OG SER A 37 20.967 -28.829 -35.485 1.00 0.00 O ATOM 0 H SER A 37 20.691 -30.139 -37.423 1.00 0.00 H new ATOM 0 HA SER A 37 18.245 -28.632 -37.461 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.196 -27.810 -35.236 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.044 -29.551 -35.362 1.00 0.00 H new ATOM 0 HG SER A 37 21.106 -28.909 -34.518 1.00 0.00 H new ATOM 555 N SER A 38 20.963 -27.093 -38.374 1.00 0.00 N ATOM 556 CA SER A 38 21.479 -25.854 -38.990 1.00 0.00 C ATOM 557 C SER A 38 20.803 -25.580 -40.351 1.00 0.00 C ATOM 558 O SER A 38 20.675 -24.426 -40.767 1.00 0.00 O ATOM 559 CB SER A 38 23.008 -25.956 -39.170 1.00 0.00 C ATOM 560 OG SER A 38 23.653 -26.195 -37.929 1.00 0.00 O ATOM 0 H SER A 38 21.607 -27.882 -38.434 1.00 0.00 H new ATOM 0 HA SER A 38 21.246 -25.022 -38.326 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.243 -26.761 -39.866 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.388 -25.034 -39.609 1.00 0.00 H new ATOM 0 HG SER A 38 24.621 -26.257 -38.070 1.00 0.00 H new ATOM 566 N TRP A 39 20.375 -26.658 -41.037 1.00 0.00 N ATOM 567 CA TRP A 39 19.781 -26.587 -42.392 1.00 0.00 C ATOM 568 C TRP A 39 18.286 -26.953 -42.347 1.00 0.00 C ATOM 569 O TRP A 39 17.748 -27.287 -41.287 1.00 0.00 O ATOM 570 CB TRP A 39 20.533 -27.544 -43.365 1.00 0.00 C ATOM 571 CG TRP A 39 21.983 -27.187 -43.603 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.007 -27.213 -42.699 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.565 -26.772 -44.841 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.179 -26.840 -43.300 1.00 0.00 N ATOM 575 CE2 TRP A 39 23.932 -26.568 -44.613 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.059 -26.558 -46.117 1.00 0.00 C ATOM 577 CZ2 TRP A 39 24.798 -26.162 -45.614 1.00 0.00 C ATOM 578 CZ3 TRP A 39 22.915 -26.152 -47.112 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.275 -25.959 -46.860 1.00 0.00 C ATOM 0 H TRP A 39 20.431 -27.607 -40.668 1.00 0.00 H new ATOM 0 HA TRP A 39 19.880 -25.564 -42.755 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.482 -28.558 -42.968 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.012 -27.550 -44.322 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.906 -27.488 -41.660 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.088 -26.776 -42.841 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.010 -26.708 -46.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 25.849 -26.011 -45.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.530 -25.979 -48.106 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.924 -25.644 -47.663 1.00 0.00 H new ATOM 590 N LYS A 40 17.617 -26.839 -43.508 1.00 0.00 N ATOM 591 CA LYS A 40 16.285 -27.426 -43.739 1.00 0.00 C ATOM 592 C LYS A 40 16.238 -27.979 -45.166 1.00 0.00 C ATOM 593 O LYS A 40 16.561 -27.297 -46.134 1.00 0.00 O ATOM 594 CB LYS A 40 15.128 -26.408 -43.448 1.00 0.00 C ATOM 595 CG LYS A 40 14.506 -26.532 -42.033 1.00 0.00 C ATOM 596 CD LYS A 40 13.714 -25.281 -41.593 1.00 0.00 C ATOM 597 CE LYS A 40 14.636 -24.068 -41.372 1.00 0.00 C ATOM 598 NZ LYS A 40 13.915 -22.895 -40.816 1.00 0.00 N ATOM 0 H LYS A 40 17.986 -26.336 -44.315 1.00 0.00 H new ATOM 0 HA LYS A 40 16.124 -28.244 -43.036 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.511 -25.395 -43.576 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.342 -26.548 -44.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.843 -27.397 -42.011 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.301 -26.721 -41.311 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.969 -25.038 -42.350 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.173 -25.499 -40.672 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.443 -24.348 -40.695 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.098 -23.790 -42.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.581 -22.107 -40.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.162 -22.607 -41.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.496 -23.148 -39.898 1.00 0.00 H new ATOM 612 N LYS A 41 15.831 -29.232 -45.254 1.00 0.00 N ATOM 613 CA LYS A 41 15.795 -30.025 -46.472 1.00 0.00 C ATOM 614 C LYS A 41 14.369 -30.034 -47.000 1.00 0.00 C ATOM 615 O LYS A 41 13.422 -30.373 -46.281 1.00 0.00 O ATOM 616 CB LYS A 41 16.316 -31.445 -46.125 1.00 0.00 C ATOM 617 CG LYS A 41 15.772 -32.632 -46.931 1.00 0.00 C ATOM 618 CD LYS A 41 16.274 -32.703 -48.368 1.00 0.00 C ATOM 619 CE LYS A 41 15.822 -33.987 -49.074 1.00 0.00 C ATOM 620 NZ LYS A 41 16.199 -35.191 -48.295 1.00 0.00 N ATOM 0 H LYS A 41 15.501 -29.750 -44.440 1.00 0.00 H new ATOM 0 HA LYS A 41 16.429 -29.612 -47.257 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.401 -31.438 -46.233 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.102 -31.631 -45.072 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.041 -33.556 -46.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.683 -32.579 -46.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.910 -31.838 -48.922 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.363 -32.650 -48.374 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.741 -33.966 -49.215 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.272 -34.037 -50.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.132 -36.033 -48.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.175 -35.090 -47.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.555 -35.296 -47.485 1.00 0.00 H new ATOM 634 N LEU A 42 14.249 -29.655 -48.260 1.00 0.00 N ATOM 635 CA LEU A 42 12.996 -29.605 -48.989 1.00 0.00 C ATOM 636 C LEU A 42 13.189 -30.358 -50.303 1.00 0.00 C ATOM 637 O LEU A 42 14.185 -30.168 -50.995 1.00 0.00 O ATOM 638 CB LEU A 42 12.590 -28.110 -49.198 1.00 0.00 C ATOM 639 CG LEU A 42 11.338 -27.805 -50.106 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.614 -26.510 -49.668 1.00 0.00 C ATOM 641 CD2 LEU A 42 11.726 -27.698 -51.599 1.00 0.00 C ATOM 0 H LEU A 42 15.049 -29.364 -48.822 1.00 0.00 H new ATOM 0 HA LEU A 42 12.183 -30.082 -48.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.405 -27.673 -48.216 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.447 -27.587 -49.623 1.00 0.00 H new ATOM 0 HG LEU A 42 10.657 -28.647 -49.980 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.757 -26.335 -50.318 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.273 -26.615 -48.638 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.302 -25.667 -49.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.836 -27.487 -52.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.449 -26.893 -51.730 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.167 -28.639 -51.929 1.00 0.00 H new ATOM 653 N PHE A 43 12.239 -31.232 -50.612 1.00 0.00 N ATOM 654 CA PHE A 43 12.135 -31.910 -51.906 1.00 0.00 C ATOM 655 C PHE A 43 10.897 -31.376 -52.647 1.00 0.00 C ATOM 656 O PHE A 43 9.862 -31.106 -52.031 1.00 0.00 O ATOM 657 CB PHE A 43 12.056 -33.450 -51.692 1.00 0.00 C ATOM 658 CG PHE A 43 11.752 -34.257 -52.960 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.558 -34.147 -54.097 1.00 0.00 C ATOM 660 CD2 PHE A 43 10.645 -35.110 -53.021 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.261 -34.854 -55.248 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.356 -35.820 -54.172 1.00 0.00 C ATOM 663 CZ PHE A 43 11.161 -35.691 -55.284 1.00 0.00 C ATOM 0 H PHE A 43 11.502 -31.497 -49.959 1.00 0.00 H new ATOM 0 HA PHE A 43 13.018 -31.708 -52.513 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.003 -33.795 -51.276 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.286 -33.661 -50.950 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.424 -33.502 -54.076 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.007 -35.216 -52.156 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.889 -34.752 -56.120 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.499 -36.476 -54.200 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.932 -36.244 -56.183 1.00 0.00 H new ATOM 673 N TYR A 44 11.026 -31.216 -53.971 1.00 0.00 N ATOM 674 CA TYR A 44 9.907 -30.837 -54.855 1.00 0.00 C ATOM 675 C TYR A 44 9.382 -32.083 -55.612 1.00 0.00 C ATOM 676 O TYR A 44 10.000 -32.502 -56.594 1.00 0.00 O ATOM 677 CB TYR A 44 10.347 -29.717 -55.854 1.00 0.00 C ATOM 678 CG TYR A 44 9.867 -28.314 -55.481 1.00 0.00 C ATOM 679 CD1 TYR A 44 10.699 -27.404 -54.834 1.00 0.00 C ATOM 680 CD2 TYR A 44 8.565 -27.913 -55.767 1.00 0.00 C ATOM 681 CE1 TYR A 44 10.250 -26.144 -54.489 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.114 -26.657 -55.428 1.00 0.00 C ATOM 683 CZ TYR A 44 8.955 -25.776 -54.788 1.00 0.00 C ATOM 684 OH TYR A 44 8.502 -24.523 -54.453 1.00 0.00 O ATOM 0 H TYR A 44 11.910 -31.345 -54.464 1.00 0.00 H new ATOM 0 HA TYR A 44 9.097 -30.438 -54.244 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.435 -29.711 -55.917 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.971 -29.964 -56.847 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.714 -27.688 -54.598 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.896 -28.600 -56.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.909 -25.451 -53.988 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.102 -26.364 -55.664 1.00 0.00 H new ATOM 0 HH TYR A 44 7.569 -24.426 -54.736 1.00 0.00 H new ATOM 694 N PRO A 45 8.256 -32.722 -55.144 1.00 0.00 N ATOM 695 CA PRO A 45 7.573 -33.794 -55.903 1.00 0.00 C ATOM 696 C PRO A 45 6.674 -33.205 -57.010 1.00 0.00 C ATOM 697 O PRO A 45 6.047 -32.153 -56.816 1.00 0.00 O ATOM 698 CB PRO A 45 6.740 -34.517 -54.811 1.00 0.00 C ATOM 699 CG PRO A 45 6.393 -33.430 -53.835 1.00 0.00 C ATOM 700 CD PRO A 45 7.571 -32.465 -53.846 1.00 0.00 C ATOM 0 HA PRO A 45 8.260 -34.462 -56.423 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.845 -34.976 -55.231 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.313 -35.313 -54.334 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.472 -32.925 -54.125 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.232 -33.838 -52.837 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.236 -31.430 -53.773 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.238 -32.645 -53.003 1.00 0.00 H new ATOM 708 N ASN A 46 6.640 -33.866 -58.177 1.00 0.00 N ATOM 709 CA ASN A 46 5.771 -33.447 -59.294 1.00 0.00 C ATOM 710 C ASN A 46 4.363 -34.056 -59.127 1.00 0.00 C ATOM 711 O ASN A 46 4.185 -35.032 -58.383 1.00 0.00 O ATOM 712 CB ASN A 46 6.394 -33.807 -60.674 1.00 0.00 C ATOM 713 CG ASN A 46 6.361 -35.298 -61.032 1.00 0.00 C ATOM 714 OD1 ASN A 46 5.400 -35.782 -61.609 1.00 0.00 O ATOM 715 ND2 ASN A 46 7.421 -36.029 -60.730 1.00 0.00 N ATOM 0 H ASN A 46 7.203 -34.693 -58.375 1.00 0.00 H new ATOM 0 HA ASN A 46 5.680 -32.361 -59.268 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.867 -33.251 -61.450 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.430 -33.469 -60.687 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.447 -37.018 -60.979 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.213 -35.604 -60.248 1.00 0.00 H new ATOM 722 N LYS A 47 3.385 -33.478 -59.842 1.00 0.00 N ATOM 723 CA LYS A 47 1.950 -33.813 -59.692 1.00 0.00 C ATOM 724 C LYS A 47 1.645 -35.270 -60.113 1.00 0.00 C ATOM 725 O LYS A 47 0.866 -35.964 -59.449 1.00 0.00 O ATOM 726 CB LYS A 47 1.096 -32.822 -60.524 1.00 0.00 C ATOM 727 CG LYS A 47 1.353 -31.334 -60.194 1.00 0.00 C ATOM 728 CD LYS A 47 0.555 -30.376 -61.107 1.00 0.00 C ATOM 729 CE LYS A 47 0.887 -28.894 -60.843 1.00 0.00 C ATOM 730 NZ LYS A 47 0.102 -27.980 -61.717 1.00 0.00 N ATOM 0 H LYS A 47 3.563 -32.761 -60.545 1.00 0.00 H new ATOM 0 HA LYS A 47 1.694 -33.724 -58.636 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.295 -32.988 -61.583 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.041 -33.042 -60.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.086 -31.145 -59.154 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.418 -31.122 -60.294 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.767 -30.612 -62.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.512 -30.539 -60.954 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.685 -28.658 -59.798 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.951 -28.727 -61.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.357 -26.994 -61.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.314 -28.186 -62.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.914 -28.120 -61.542 1.00 0.00 H new ATOM 744 N VAL A 48 2.284 -35.716 -61.209 1.00 0.00 N ATOM 745 CA VAL A 48 2.124 -37.087 -61.751 1.00 0.00 C ATOM 746 C VAL A 48 2.842 -38.119 -60.850 1.00 0.00 C ATOM 747 O VAL A 48 2.380 -39.257 -60.681 1.00 0.00 O ATOM 748 CB VAL A 48 2.700 -37.176 -63.221 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.504 -38.583 -63.849 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.086 -36.074 -64.118 1.00 0.00 C ATOM 0 H VAL A 48 2.929 -35.138 -61.749 1.00 0.00 H new ATOM 0 HA VAL A 48 1.058 -37.316 -61.772 1.00 0.00 H new ATOM 0 HB VAL A 48 3.775 -37.009 -63.155 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.916 -38.592 -64.858 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.017 -39.328 -63.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.440 -38.818 -63.890 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.496 -36.154 -65.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.004 -36.197 -64.156 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.325 -35.094 -63.705 1.00 0.00 H new ATOM 760 N GLY A 49 3.975 -37.688 -60.270 1.00 0.00 N ATOM 761 CA GLY A 49 4.875 -38.562 -59.513 1.00 0.00 C ATOM 762 C GLY A 49 5.990 -39.150 -60.384 1.00 0.00 C ATOM 763 O GLY A 49 7.173 -39.043 -60.048 1.00 0.00 O ATOM 0 H GLY A 49 4.290 -36.719 -60.316 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.318 -37.998 -58.692 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.299 -39.374 -59.068 1.00 0.00 H new ATOM 767 N SER A 50 5.602 -39.739 -61.529 1.00 0.00 N ATOM 768 CA SER A 50 6.517 -40.511 -62.397 1.00 0.00 C ATOM 769 C SER A 50 7.409 -39.620 -63.297 1.00 0.00 C ATOM 770 O SER A 50 8.516 -40.032 -63.663 1.00 0.00 O ATOM 771 CB SER A 50 5.691 -41.482 -63.270 1.00 0.00 C ATOM 772 OG SER A 50 4.891 -42.340 -62.468 1.00 0.00 O ATOM 0 H SER A 50 4.646 -39.695 -61.881 1.00 0.00 H new ATOM 0 HA SER A 50 7.194 -41.060 -61.742 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.053 -40.914 -63.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.361 -42.079 -63.889 1.00 0.00 H new ATOM 0 HG SER A 50 4.378 -42.943 -63.045 1.00 0.00 H new ATOM 778 N VAL A 51 6.933 -38.407 -63.650 1.00 0.00 N ATOM 779 CA VAL A 51 7.608 -37.552 -64.665 1.00 0.00 C ATOM 780 C VAL A 51 8.681 -36.624 -64.035 1.00 0.00 C ATOM 781 O VAL A 51 9.086 -36.830 -62.885 1.00 0.00 O ATOM 782 CB VAL A 51 6.563 -36.723 -65.507 1.00 0.00 C ATOM 783 CG1 VAL A 51 5.552 -37.656 -66.217 1.00 0.00 C ATOM 784 CG2 VAL A 51 5.847 -35.649 -64.662 1.00 0.00 C ATOM 0 H VAL A 51 6.089 -37.994 -63.253 1.00 0.00 H new ATOM 0 HA VAL A 51 8.129 -38.226 -65.345 1.00 0.00 H new ATOM 0 HB VAL A 51 7.124 -36.190 -66.275 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.844 -37.057 -66.790 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.086 -38.327 -66.889 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.013 -38.242 -65.473 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.138 -35.106 -65.288 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.313 -36.128 -63.841 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.583 -34.953 -64.259 1.00 0.00 H new ATOM 794 N LYS A 52 9.156 -35.629 -64.826 1.00 0.00 N ATOM 795 CA LYS A 52 10.166 -34.637 -64.397 1.00 0.00 C ATOM 796 C LYS A 52 9.715 -33.863 -63.141 1.00 0.00 C ATOM 797 O LYS A 52 8.554 -33.456 -63.031 1.00 0.00 O ATOM 798 CB LYS A 52 10.439 -33.628 -65.544 1.00 0.00 C ATOM 799 CG LYS A 52 10.924 -34.265 -66.862 1.00 0.00 C ATOM 800 CD LYS A 52 11.137 -33.225 -67.989 1.00 0.00 C ATOM 801 CE LYS A 52 11.495 -33.876 -69.340 1.00 0.00 C ATOM 802 NZ LYS A 52 11.694 -32.862 -70.408 1.00 0.00 N ATOM 0 H LYS A 52 8.844 -35.494 -65.788 1.00 0.00 H new ATOM 0 HA LYS A 52 11.076 -35.185 -64.152 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.525 -33.068 -65.742 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.186 -32.910 -65.207 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.859 -34.795 -66.681 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.196 -35.007 -67.191 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.231 -32.631 -68.106 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.933 -32.539 -67.699 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.403 -34.469 -69.228 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.701 -34.562 -69.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.933 -33.340 -71.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.820 -32.313 -70.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.469 -32.222 -70.139 1.00 0.00 H new ATOM 816 N LYS A 53 10.667 -33.650 -62.226 1.00 0.00 N ATOM 817 CA LYS A 53 10.453 -32.920 -60.967 1.00 0.00 C ATOM 818 C LYS A 53 11.672 -32.043 -60.693 1.00 0.00 C ATOM 819 O LYS A 53 12.778 -32.350 -61.160 1.00 0.00 O ATOM 820 CB LYS A 53 10.198 -33.889 -59.759 1.00 0.00 C ATOM 821 CG LYS A 53 11.436 -34.551 -59.058 1.00 0.00 C ATOM 822 CD LYS A 53 11.884 -35.921 -59.631 1.00 0.00 C ATOM 823 CE LYS A 53 12.620 -35.842 -60.975 1.00 0.00 C ATOM 824 NZ LYS A 53 13.844 -34.987 -60.917 1.00 0.00 N ATOM 0 H LYS A 53 11.624 -33.984 -62.339 1.00 0.00 H new ATOM 0 HA LYS A 53 9.560 -32.304 -61.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.644 -33.335 -59.001 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.547 -34.690 -60.108 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.277 -33.860 -59.120 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.205 -34.679 -58.000 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.534 -36.409 -58.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.005 -36.555 -59.750 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.900 -36.847 -61.290 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.942 -35.447 -61.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.481 -35.239 -61.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.573 -33.986 -60.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.332 -35.140 -60.011 1.00 0.00 H new ATOM 838 N THR A 54 11.484 -30.963 -59.934 1.00 0.00 N ATOM 839 CA THR A 54 12.603 -30.147 -59.461 1.00 0.00 C ATOM 840 C THR A 54 13.364 -30.922 -58.377 1.00 0.00 C ATOM 841 O THR A 54 12.742 -31.599 -57.540 1.00 0.00 O ATOM 842 CB THR A 54 12.105 -28.776 -58.922 1.00 0.00 C ATOM 843 OG1 THR A 54 11.333 -28.126 -59.945 1.00 0.00 O ATOM 844 CG2 THR A 54 13.258 -27.845 -58.482 1.00 0.00 C ATOM 0 H THR A 54 10.567 -30.633 -59.633 1.00 0.00 H new ATOM 0 HA THR A 54 13.275 -29.940 -60.294 1.00 0.00 H new ATOM 0 HB THR A 54 11.500 -28.974 -58.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.013 -27.261 -59.614 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.847 -26.904 -58.116 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.830 -28.325 -57.688 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.912 -27.649 -59.332 1.00 0.00 H new ATOM 852 N GLU A 55 14.705 -30.848 -58.419 1.00 0.00 N ATOM 853 CA GLU A 55 15.562 -31.523 -57.440 1.00 0.00 C ATOM 854 C GLU A 55 15.431 -30.869 -56.051 1.00 0.00 C ATOM 855 O GLU A 55 14.602 -29.972 -55.821 1.00 0.00 O ATOM 856 CB GLU A 55 17.053 -31.579 -57.908 1.00 0.00 C ATOM 857 CG GLU A 55 17.745 -30.223 -58.190 1.00 0.00 C ATOM 858 CD GLU A 55 17.369 -29.618 -59.554 1.00 0.00 C ATOM 859 OE1 GLU A 55 16.644 -28.602 -59.608 1.00 0.00 O ATOM 860 OE2 GLU A 55 17.772 -30.196 -60.591 1.00 0.00 O ATOM 0 H GLU A 55 15.218 -30.323 -59.127 1.00 0.00 H new ATOM 0 HA GLU A 55 15.217 -32.554 -57.360 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.629 -32.103 -57.146 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.102 -32.181 -58.815 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.480 -29.518 -57.402 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.826 -30.359 -58.146 1.00 0.00 H new ATOM 867 N VAL A 56 16.278 -31.322 -55.142 1.00 0.00 N ATOM 868 CA VAL A 56 16.208 -30.990 -53.729 1.00 0.00 C ATOM 869 C VAL A 56 16.856 -29.616 -53.445 1.00 0.00 C ATOM 870 O VAL A 56 17.894 -29.272 -54.012 1.00 0.00 O ATOM 871 CB VAL A 56 16.925 -32.119 -52.914 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.146 -31.707 -51.457 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.152 -33.465 -53.019 1.00 0.00 C ATOM 0 H VAL A 56 17.052 -31.946 -55.372 1.00 0.00 H new ATOM 0 HA VAL A 56 15.163 -30.922 -53.426 1.00 0.00 H new ATOM 0 HB VAL A 56 17.909 -32.271 -53.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.646 -32.515 -50.922 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.766 -30.811 -51.422 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.184 -31.501 -50.987 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.673 -34.230 -52.443 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.144 -33.338 -52.624 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.096 -33.772 -54.063 1.00 0.00 H new ATOM 883 N VAL A 57 16.200 -28.842 -52.570 1.00 0.00 N ATOM 884 CA VAL A 57 16.691 -27.553 -52.077 1.00 0.00 C ATOM 885 C VAL A 57 17.033 -27.680 -50.571 1.00 0.00 C ATOM 886 O VAL A 57 16.152 -27.956 -49.751 1.00 0.00 O ATOM 887 CB VAL A 57 15.605 -26.423 -52.304 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.099 -25.035 -51.813 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.163 -26.373 -53.794 1.00 0.00 C ATOM 0 H VAL A 57 15.295 -29.102 -52.178 1.00 0.00 H new ATOM 0 HA VAL A 57 17.589 -27.274 -52.629 1.00 0.00 H new ATOM 0 HB VAL A 57 14.734 -26.680 -51.701 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.323 -24.290 -51.988 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.321 -25.084 -50.747 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.000 -24.755 -52.359 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.417 -25.590 -53.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.027 -26.160 -54.423 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.734 -27.334 -54.079 1.00 0.00 H new ATOM 899 N PHE A 58 18.325 -27.525 -50.230 1.00 0.00 N ATOM 900 CA PHE A 58 18.804 -27.452 -48.830 1.00 0.00 C ATOM 901 C PHE A 58 19.035 -25.972 -48.472 1.00 0.00 C ATOM 902 O PHE A 58 19.931 -25.343 -49.036 1.00 0.00 O ATOM 903 CB PHE A 58 20.140 -28.242 -48.644 1.00 0.00 C ATOM 904 CG PHE A 58 20.024 -29.761 -48.502 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.083 -30.597 -49.611 1.00 0.00 C ATOM 906 CD2 PHE A 58 19.892 -30.353 -47.243 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.017 -31.973 -49.472 1.00 0.00 C ATOM 908 CE2 PHE A 58 19.819 -31.730 -47.108 1.00 0.00 C ATOM 909 CZ PHE A 58 19.881 -32.538 -48.225 1.00 0.00 C ATOM 0 H PHE A 58 19.073 -27.446 -50.919 1.00 0.00 H new ATOM 0 HA PHE A 58 18.054 -27.899 -48.177 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.784 -28.028 -49.497 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.644 -27.855 -47.759 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.182 -30.166 -50.597 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.846 -29.728 -46.363 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.072 -32.605 -50.346 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.714 -32.171 -46.128 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.823 -33.611 -48.121 1.00 0.00 H new ATOM 919 N VAL A 59 18.239 -25.412 -47.544 1.00 0.00 N ATOM 920 CA VAL A 59 18.395 -24.001 -47.135 1.00 0.00 C ATOM 921 C VAL A 59 19.536 -23.896 -46.106 1.00 0.00 C ATOM 922 O VAL A 59 19.610 -24.701 -45.162 1.00 0.00 O ATOM 923 CB VAL A 59 17.051 -23.371 -46.586 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.703 -23.826 -45.157 1.00 0.00 C ATOM 925 CG2 VAL A 59 17.075 -21.830 -46.687 1.00 0.00 C ATOM 0 H VAL A 59 17.487 -25.908 -47.066 1.00 0.00 H new ATOM 0 HA VAL A 59 18.651 -23.416 -48.018 1.00 0.00 H new ATOM 0 HB VAL A 59 16.256 -23.750 -47.228 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.771 -23.357 -44.843 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.588 -24.910 -45.138 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.503 -23.534 -44.477 1.00 0.00 H new ATOM 0 HG21 VAL A 59 16.139 -21.426 -46.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 17.907 -21.440 -46.100 1.00 0.00 H new ATOM 0 HG23 VAL A 59 17.196 -21.536 -47.729 1.00 0.00 H new ATOM 935 N ALA A 60 20.446 -22.934 -46.324 1.00 0.00 N ATOM 936 CA ALA A 60 21.691 -22.821 -45.544 1.00 0.00 C ATOM 937 C ALA A 60 21.529 -21.886 -44.324 1.00 0.00 C ATOM 938 O ALA A 60 20.824 -20.876 -44.419 1.00 0.00 O ATOM 939 CB ALA A 60 22.830 -22.336 -46.440 1.00 0.00 C ATOM 0 H ALA A 60 20.342 -22.216 -47.041 1.00 0.00 H new ATOM 0 HA ALA A 60 21.931 -23.813 -45.161 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.745 -22.256 -45.854 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.981 -23.046 -47.253 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.577 -21.360 -46.853 1.00 0.00 H new ATOM 945 N PRO A 61 22.230 -22.197 -43.175 1.00 0.00 N ATOM 946 CA PRO A 61 22.128 -21.429 -41.898 1.00 0.00 C ATOM 947 C PRO A 61 22.540 -19.946 -42.030 1.00 0.00 C ATOM 948 O PRO A 61 21.935 -19.066 -41.398 1.00 0.00 O ATOM 949 CB PRO A 61 23.089 -22.196 -40.935 1.00 0.00 C ATOM 950 CG PRO A 61 24.015 -22.950 -41.843 1.00 0.00 C ATOM 951 CD PRO A 61 23.168 -23.343 -43.029 1.00 0.00 C ATOM 0 HA PRO A 61 21.097 -21.380 -41.547 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.638 -21.508 -40.292 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.538 -22.872 -40.281 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.858 -22.331 -42.149 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.428 -23.827 -41.345 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.772 -23.485 -43.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.636 -24.278 -42.851 1.00 0.00 H new ATOM 959 N THR A 62 23.563 -19.679 -42.866 1.00 0.00 N ATOM 960 CA THR A 62 24.080 -18.312 -43.087 1.00 0.00 C ATOM 961 C THR A 62 23.159 -17.510 -44.037 1.00 0.00 C ATOM 962 O THR A 62 23.318 -16.296 -44.190 1.00 0.00 O ATOM 963 CB THR A 62 25.547 -18.339 -43.645 1.00 0.00 C ATOM 964 OG1 THR A 62 26.144 -17.041 -43.529 1.00 0.00 O ATOM 965 CG2 THR A 62 25.620 -18.791 -45.115 1.00 0.00 C ATOM 0 H THR A 62 24.051 -20.396 -43.403 1.00 0.00 H new ATOM 0 HA THR A 62 24.092 -17.812 -42.119 1.00 0.00 H new ATOM 0 HB THR A 62 26.092 -19.068 -43.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 25.483 -16.355 -43.760 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.659 -18.790 -45.445 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.211 -19.797 -45.207 1.00 0.00 H new ATOM 0 HG23 THR A 62 25.042 -18.106 -45.735 1.00 0.00 H new ATOM 973 N GLY A 63 22.183 -18.208 -44.656 1.00 0.00 N ATOM 974 CA GLY A 63 21.222 -17.588 -45.573 1.00 0.00 C ATOM 975 C GLY A 63 21.625 -17.677 -47.039 1.00 0.00 C ATOM 976 O GLY A 63 21.176 -16.873 -47.859 1.00 0.00 O ATOM 0 H GLY A 63 22.045 -19.211 -44.531 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.251 -18.065 -45.443 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.101 -16.539 -45.302 1.00 0.00 H new ATOM 980 N GLU A 64 22.461 -18.670 -47.371 1.00 0.00 N ATOM 981 CA GLU A 64 22.928 -18.915 -48.747 1.00 0.00 C ATOM 982 C GLU A 64 22.343 -20.251 -49.236 1.00 0.00 C ATOM 983 O GLU A 64 23.046 -21.265 -49.322 1.00 0.00 O ATOM 984 CB GLU A 64 24.480 -18.905 -48.789 1.00 0.00 C ATOM 985 CG GLU A 64 25.087 -18.954 -50.202 1.00 0.00 C ATOM 986 CD GLU A 64 26.621 -18.932 -50.183 1.00 0.00 C ATOM 987 OE1 GLU A 64 27.258 -19.949 -50.515 1.00 0.00 O ATOM 988 OE2 GLU A 64 27.196 -17.892 -49.814 1.00 0.00 O ATOM 0 H GLU A 64 22.836 -19.331 -46.690 1.00 0.00 H new ATOM 0 HA GLU A 64 22.585 -18.125 -49.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.837 -18.006 -48.286 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.850 -19.758 -48.220 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.746 -19.856 -50.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.722 -18.106 -50.781 1.00 0.00 H new ATOM 995 N GLU A 65 21.020 -20.240 -49.488 1.00 0.00 N ATOM 996 CA GLU A 65 20.245 -21.454 -49.827 1.00 0.00 C ATOM 997 C GLU A 65 20.786 -22.153 -51.096 1.00 0.00 C ATOM 998 O GLU A 65 21.257 -21.506 -52.043 1.00 0.00 O ATOM 999 CB GLU A 65 18.721 -21.144 -49.997 1.00 0.00 C ATOM 1000 CG GLU A 65 18.337 -20.146 -51.126 1.00 0.00 C ATOM 1001 CD GLU A 65 18.548 -18.657 -50.766 1.00 0.00 C ATOM 1002 OE1 GLU A 65 19.641 -18.109 -51.026 1.00 0.00 O ATOM 1003 OE2 GLU A 65 17.618 -18.037 -50.217 1.00 0.00 O ATOM 0 H GLU A 65 20.456 -19.390 -49.463 1.00 0.00 H new ATOM 0 HA GLU A 65 20.366 -22.135 -48.985 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.200 -22.084 -50.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.345 -20.751 -49.052 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.924 -20.379 -52.014 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.290 -20.298 -51.387 1.00 0.00 H new ATOM 1010 N ILE A 66 20.694 -23.489 -51.089 1.00 0.00 N ATOM 1011 CA ILE A 66 21.287 -24.366 -52.110 1.00 0.00 C ATOM 1012 C ILE A 66 20.179 -25.025 -52.947 1.00 0.00 C ATOM 1013 O ILE A 66 19.279 -25.641 -52.385 1.00 0.00 O ATOM 1014 CB ILE A 66 22.166 -25.474 -51.428 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.233 -24.846 -50.468 1.00 0.00 C ATOM 1016 CG2 ILE A 66 22.821 -26.389 -52.479 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.210 -23.884 -51.114 1.00 0.00 C ATOM 0 H ILE A 66 20.196 -24.001 -50.361 1.00 0.00 H new ATOM 0 HA ILE A 66 21.918 -23.764 -52.763 1.00 0.00 H new ATOM 0 HB ILE A 66 21.506 -26.092 -50.819 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.711 -24.322 -49.667 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.799 -25.654 -50.005 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.423 -27.146 -51.977 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.046 -26.876 -53.071 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.458 -25.794 -53.133 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.903 -23.509 -50.361 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.768 -24.401 -51.895 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.663 -23.049 -51.552 1.00 0.00 H new ATOM 1029 N SER A 67 20.273 -24.900 -54.282 1.00 0.00 N ATOM 1030 CA SER A 67 19.282 -25.452 -55.235 1.00 0.00 C ATOM 1031 C SER A 67 19.778 -26.768 -55.880 1.00 0.00 C ATOM 1032 O SER A 67 18.994 -27.494 -56.498 1.00 0.00 O ATOM 1033 CB SER A 67 19.011 -24.392 -56.335 1.00 0.00 C ATOM 1034 OG SER A 67 20.215 -23.955 -56.954 1.00 0.00 O ATOM 0 H SER A 67 21.043 -24.410 -54.738 1.00 0.00 H new ATOM 0 HA SER A 67 18.365 -25.683 -54.692 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.346 -24.813 -57.089 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.496 -23.537 -55.897 1.00 0.00 H new ATOM 0 HG SER A 67 20.902 -24.647 -56.858 1.00 0.00 H new ATOM 1040 N ASN A 68 21.085 -27.055 -55.721 1.00 0.00 N ATOM 1041 CA ASN A 68 21.779 -28.115 -56.480 1.00 0.00 C ATOM 1042 C ASN A 68 23.075 -28.546 -55.769 1.00 0.00 C ATOM 1043 O ASN A 68 23.722 -27.749 -55.085 1.00 0.00 O ATOM 1044 CB ASN A 68 22.092 -27.642 -57.929 1.00 0.00 C ATOM 1045 CG ASN A 68 22.840 -26.302 -57.987 1.00 0.00 C ATOM 1046 OD1 ASN A 68 22.664 -25.436 -57.133 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.667 -26.105 -58.991 1.00 0.00 N ATOM 0 H ASN A 68 21.688 -26.560 -55.064 1.00 0.00 H new ATOM 0 HA ASN A 68 21.113 -28.977 -56.532 1.00 0.00 H new ATOM 0 HB2 ASN A 68 22.688 -28.404 -58.431 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.158 -27.552 -58.483 1.00 0.00 H new ATOM 0 HD21 ASN A 68 24.174 -25.223 -59.069 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.802 -26.834 -59.691 1.00 0.00 H new ATOM 1054 N ARG A 69 23.455 -29.812 -56.005 1.00 0.00 N ATOM 1055 CA ARG A 69 24.557 -30.518 -55.307 1.00 0.00 C ATOM 1056 C ARG A 69 25.917 -29.781 -55.403 1.00 0.00 C ATOM 1057 O ARG A 69 26.696 -29.778 -54.444 1.00 0.00 O ATOM 1058 CB ARG A 69 24.672 -31.957 -55.878 1.00 0.00 C ATOM 1059 CG ARG A 69 25.640 -32.864 -55.102 1.00 0.00 C ATOM 1060 CD ARG A 69 25.809 -34.263 -55.714 1.00 0.00 C ATOM 1061 NE ARG A 69 26.723 -35.089 -54.909 1.00 0.00 N ATOM 1062 CZ ARG A 69 28.039 -35.250 -55.129 1.00 0.00 C ATOM 1063 NH1 ARG A 69 28.644 -34.689 -56.177 1.00 0.00 N ATOM 1064 NH2 ARG A 69 28.739 -35.998 -54.297 1.00 0.00 N ATOM 0 H ARG A 69 22.995 -30.394 -56.705 1.00 0.00 H new ATOM 0 HA ARG A 69 24.311 -30.547 -54.246 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.683 -32.416 -55.880 1.00 0.00 H new ATOM 0 HB3 ARG A 69 24.998 -31.899 -56.916 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.615 -32.380 -55.053 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.283 -32.967 -54.077 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.838 -34.752 -55.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.194 -34.174 -56.730 1.00 0.00 H new ATOM 0 HE ARG A 69 26.322 -35.584 -54.112 1.00 0.00 H new ATOM 0 HH11 ARG A 69 28.106 -34.123 -56.833 1.00 0.00 H new ATOM 0 HH12 ARG A 69 29.644 -34.826 -56.322 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.280 -36.443 -53.502 1.00 0.00 H new ATOM 0 HH22 ARG A 69 29.739 -36.131 -54.449 1.00 0.00 H new ATOM 1078 N LYS A 70 26.166 -29.149 -56.564 1.00 0.00 N ATOM 1079 CA LYS A 70 27.399 -28.372 -56.834 1.00 0.00 C ATOM 1080 C LYS A 70 27.564 -27.255 -55.791 1.00 0.00 C ATOM 1081 O LYS A 70 28.631 -27.106 -55.180 1.00 0.00 O ATOM 1082 CB LYS A 70 27.330 -27.776 -58.276 1.00 0.00 C ATOM 1083 CG LYS A 70 28.624 -27.093 -58.821 1.00 0.00 C ATOM 1084 CD LYS A 70 28.816 -25.622 -58.353 1.00 0.00 C ATOM 1085 CE LYS A 70 30.075 -24.968 -58.946 1.00 0.00 C ATOM 1086 NZ LYS A 70 31.306 -25.744 -58.630 1.00 0.00 N ATOM 0 H LYS A 70 25.516 -29.160 -57.350 1.00 0.00 H new ATOM 0 HA LYS A 70 28.265 -29.030 -56.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.055 -28.578 -58.962 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.523 -27.044 -58.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.489 -27.678 -58.508 1.00 0.00 H new ATOM 0 HG3 LYS A 70 28.602 -27.116 -59.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 27.941 -25.038 -58.637 1.00 0.00 H new ATOM 0 HD3 LYS A 70 28.877 -25.597 -57.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 29.966 -24.885 -60.027 1.00 0.00 H new ATOM 0 HE3 LYS A 70 30.175 -23.955 -58.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 32.144 -25.196 -58.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 31.345 -25.933 -57.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.291 -26.646 -59.148 1.00 0.00 H new ATOM 1100 N GLN A 71 26.475 -26.486 -55.599 1.00 0.00 N ATOM 1101 CA GLN A 71 26.464 -25.312 -54.715 1.00 0.00 C ATOM 1102 C GLN A 71 26.608 -25.710 -53.240 1.00 0.00 C ATOM 1103 O GLN A 71 27.081 -24.908 -52.443 1.00 0.00 O ATOM 1104 CB GLN A 71 25.198 -24.451 -54.955 1.00 0.00 C ATOM 1105 CG GLN A 71 25.191 -23.737 -56.325 1.00 0.00 C ATOM 1106 CD GLN A 71 26.281 -22.669 -56.483 1.00 0.00 C ATOM 1107 OE1 GLN A 71 26.664 -21.999 -55.530 1.00 0.00 O ATOM 1108 NE2 GLN A 71 26.780 -22.490 -57.694 1.00 0.00 N ATOM 0 H GLN A 71 25.580 -26.664 -56.054 1.00 0.00 H new ATOM 0 HA GLN A 71 27.332 -24.702 -54.964 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.316 -25.087 -54.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 25.120 -23.705 -54.164 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.312 -24.482 -57.111 1.00 0.00 H new ATOM 0 HG3 GLN A 71 24.217 -23.271 -56.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 26.447 -23.059 -58.472 1.00 0.00 H new ATOM 0 HE22 GLN A 71 27.499 -21.783 -57.850 1.00 0.00 H new ATOM 1117 N LEU A 72 26.228 -26.956 -52.909 1.00 0.00 N ATOM 1118 CA LEU A 72 26.393 -27.516 -51.552 1.00 0.00 C ATOM 1119 C LEU A 72 27.903 -27.663 -51.245 1.00 0.00 C ATOM 1120 O LEU A 72 28.388 -27.212 -50.206 1.00 0.00 O ATOM 1121 CB LEU A 72 25.671 -28.907 -51.453 1.00 0.00 C ATOM 1122 CG LEU A 72 25.135 -29.352 -50.047 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.229 -29.407 -48.970 1.00 0.00 C ATOM 1124 CD2 LEU A 72 23.962 -28.464 -49.608 1.00 0.00 C ATOM 0 H LEU A 72 25.799 -27.603 -53.570 1.00 0.00 H new ATOM 0 HA LEU A 72 25.943 -26.846 -50.820 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.829 -28.898 -52.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.365 -29.671 -51.805 1.00 0.00 H new ATOM 0 HG LEU A 72 24.776 -30.375 -50.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.791 -29.721 -48.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.998 -30.119 -49.269 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.675 -28.419 -48.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.605 -28.789 -48.631 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.293 -27.427 -49.547 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.153 -28.544 -50.335 1.00 0.00 H new ATOM 1136 N GLU A 73 28.617 -28.299 -52.187 1.00 0.00 N ATOM 1137 CA GLU A 73 30.055 -28.623 -52.064 1.00 0.00 C ATOM 1138 C GLU A 73 30.910 -27.344 -51.989 1.00 0.00 C ATOM 1139 O GLU A 73 31.771 -27.202 -51.100 1.00 0.00 O ATOM 1140 CB GLU A 73 30.472 -29.502 -53.272 1.00 0.00 C ATOM 1141 CG GLU A 73 29.689 -30.823 -53.363 1.00 0.00 C ATOM 1142 CD GLU A 73 29.945 -31.609 -54.658 1.00 0.00 C ATOM 1143 OE1 GLU A 73 31.017 -32.238 -54.780 1.00 0.00 O ATOM 1144 OE2 GLU A 73 29.080 -31.600 -55.559 1.00 0.00 O ATOM 0 H GLU A 73 28.210 -28.609 -53.069 1.00 0.00 H new ATOM 0 HA GLU A 73 30.224 -29.173 -51.138 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.325 -28.936 -54.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.537 -29.723 -53.201 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.952 -31.450 -52.511 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.623 -30.609 -53.284 1.00 0.00 H new ATOM 1151 N GLN A 74 30.641 -26.404 -52.915 1.00 0.00 N ATOM 1152 CA GLN A 74 31.353 -25.121 -52.978 1.00 0.00 C ATOM 1153 C GLN A 74 31.011 -24.224 -51.763 1.00 0.00 C ATOM 1154 O GLN A 74 31.831 -23.395 -51.351 1.00 0.00 O ATOM 1155 CB GLN A 74 31.114 -24.406 -54.351 1.00 0.00 C ATOM 1156 CG GLN A 74 29.692 -23.874 -54.638 1.00 0.00 C ATOM 1157 CD GLN A 74 29.432 -22.439 -54.167 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.981 -22.205 -53.049 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.732 -21.471 -55.022 1.00 0.00 N ATOM 0 H GLN A 74 29.927 -26.515 -53.635 1.00 0.00 H new ATOM 0 HA GLN A 74 32.422 -25.323 -52.917 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.807 -23.568 -54.419 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.379 -25.104 -55.145 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.510 -23.927 -55.711 1.00 0.00 H new ATOM 0 HG3 GLN A 74 28.969 -24.535 -54.159 1.00 0.00 H new ATOM 0 HE21 GLN A 74 30.105 -21.701 -55.943 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.590 -20.496 -54.759 1.00 0.00 H new ATOM 1168 N TYR A 75 29.804 -24.421 -51.186 1.00 0.00 N ATOM 1169 CA TYR A 75 29.387 -23.740 -49.944 1.00 0.00 C ATOM 1170 C TYR A 75 30.293 -24.164 -48.776 1.00 0.00 C ATOM 1171 O TYR A 75 30.843 -23.314 -48.094 1.00 0.00 O ATOM 1172 CB TYR A 75 27.897 -24.055 -49.617 1.00 0.00 C ATOM 1173 CG TYR A 75 27.383 -23.479 -48.289 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.798 -22.220 -48.220 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.491 -24.202 -47.100 1.00 0.00 C ATOM 1176 CE1 TYR A 75 26.346 -21.706 -47.023 1.00 0.00 C ATOM 1177 CE2 TYR A 75 27.041 -23.690 -45.906 1.00 0.00 C ATOM 1178 CZ TYR A 75 26.468 -22.445 -45.868 1.00 0.00 C ATOM 1179 OH TYR A 75 26.010 -21.938 -44.667 1.00 0.00 O ATOM 0 H TYR A 75 29.098 -25.052 -51.566 1.00 0.00 H new ATOM 0 HA TYR A 75 29.484 -22.664 -50.091 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.275 -23.671 -50.426 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.766 -25.137 -49.600 1.00 0.00 H new ATOM 0 HD1 TYR A 75 26.696 -21.633 -49.121 1.00 0.00 H new ATOM 0 HD2 TYR A 75 27.938 -25.185 -47.118 1.00 0.00 H new ATOM 0 HE1 TYR A 75 25.897 -20.724 -46.992 1.00 0.00 H new ATOM 0 HE2 TYR A 75 27.139 -24.268 -44.999 1.00 0.00 H new ATOM 0 HH TYR A 75 26.601 -22.230 -43.942 1.00 0.00 H new ATOM 1189 N LEU A 76 30.434 -25.491 -48.579 1.00 0.00 N ATOM 1190 CA LEU A 76 31.125 -26.076 -47.401 1.00 0.00 C ATOM 1191 C LEU A 76 32.624 -25.730 -47.367 1.00 0.00 C ATOM 1192 O LEU A 76 33.182 -25.475 -46.292 1.00 0.00 O ATOM 1193 CB LEU A 76 30.943 -27.614 -47.378 1.00 0.00 C ATOM 1194 CG LEU A 76 29.484 -28.132 -47.216 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.450 -29.669 -47.263 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.820 -27.587 -45.927 1.00 0.00 C ATOM 0 H LEU A 76 30.074 -26.190 -49.229 1.00 0.00 H new ATOM 0 HA LEU A 76 30.666 -25.637 -46.515 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.350 -28.021 -48.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.542 -28.018 -46.562 1.00 0.00 H new ATOM 0 HG LEU A 76 28.899 -27.754 -48.054 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.422 -30.014 -47.148 1.00 0.00 H new ATOM 0 HD12 LEU A 76 29.843 -30.013 -48.220 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.060 -30.071 -46.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.803 -27.972 -45.851 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.395 -27.907 -45.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.794 -26.498 -45.964 1.00 0.00 H new ATOM 1208 N LYS A 77 33.272 -25.738 -48.545 1.00 0.00 N ATOM 1209 CA LYS A 77 34.704 -25.387 -48.657 1.00 0.00 C ATOM 1210 C LYS A 77 34.920 -23.863 -48.489 1.00 0.00 C ATOM 1211 O LYS A 77 36.023 -23.422 -48.165 1.00 0.00 O ATOM 1212 CB LYS A 77 35.306 -25.954 -49.989 1.00 0.00 C ATOM 1213 CG LYS A 77 34.679 -25.439 -51.318 1.00 0.00 C ATOM 1214 CD LYS A 77 35.295 -24.106 -51.814 1.00 0.00 C ATOM 1215 CE LYS A 77 34.679 -23.610 -53.133 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.168 -22.258 -53.505 1.00 0.00 N ATOM 0 H LYS A 77 32.831 -25.982 -49.432 1.00 0.00 H new ATOM 0 HA LYS A 77 35.250 -25.860 -47.841 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.372 -25.725 -50.005 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.214 -27.040 -49.968 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.806 -26.199 -52.089 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.607 -25.305 -51.177 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.160 -23.343 -51.047 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.369 -24.237 -51.948 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.917 -24.313 -53.931 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.593 -23.589 -53.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.780 -21.992 -54.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.860 -21.569 -52.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.207 -22.266 -53.553 1.00 0.00 H new ATOM 1230 N SER A 78 33.856 -23.065 -48.722 1.00 0.00 N ATOM 1231 CA SER A 78 33.881 -21.594 -48.504 1.00 0.00 C ATOM 1232 C SER A 78 33.231 -21.186 -47.160 1.00 0.00 C ATOM 1233 O SER A 78 33.252 -20.006 -46.789 1.00 0.00 O ATOM 1234 CB SER A 78 33.166 -20.895 -49.674 1.00 0.00 C ATOM 1235 OG SER A 78 33.770 -21.225 -50.907 1.00 0.00 O ATOM 0 H SER A 78 32.960 -23.414 -49.064 1.00 0.00 H new ATOM 0 HA SER A 78 34.924 -21.280 -48.460 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.116 -21.187 -49.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 33.194 -19.815 -49.529 1.00 0.00 H new ATOM 0 HG SER A 78 33.294 -21.979 -51.313 1.00 0.00 H new ATOM 1241 N HIS A 79 32.629 -22.159 -46.453 1.00 0.00 N ATOM 1242 CA HIS A 79 31.976 -21.947 -45.143 1.00 0.00 C ATOM 1243 C HIS A 79 32.261 -23.175 -44.247 1.00 0.00 C ATOM 1244 O HIS A 79 31.430 -24.095 -44.170 1.00 0.00 O ATOM 1245 CB HIS A 79 30.434 -21.726 -45.295 1.00 0.00 C ATOM 1246 CG HIS A 79 30.039 -20.523 -46.110 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.772 -20.584 -47.463 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.870 -19.225 -45.761 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.464 -19.381 -47.904 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.516 -18.537 -46.895 1.00 0.00 N ATOM 0 H HIS A 79 32.580 -23.125 -46.776 1.00 0.00 H new ATOM 0 HA HIS A 79 32.383 -21.045 -44.686 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.999 -22.614 -45.752 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.996 -21.632 -44.301 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.808 -21.429 -48.033 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.991 -18.808 -44.772 1.00 0.00 H new ATOM 0 HE1 HIS A 79 29.211 -19.129 -48.923 1.00 0.00 H new ATOM 1259 N PRO A 80 33.474 -23.242 -43.604 1.00 0.00 N ATOM 1260 CA PRO A 80 33.840 -24.365 -42.704 1.00 0.00 C ATOM 1261 C PRO A 80 33.000 -24.365 -41.408 1.00 0.00 C ATOM 1262 O PRO A 80 32.558 -23.309 -40.944 1.00 0.00 O ATOM 1263 CB PRO A 80 35.345 -24.121 -42.420 1.00 0.00 C ATOM 1264 CG PRO A 80 35.521 -22.641 -42.588 1.00 0.00 C ATOM 1265 CD PRO A 80 34.583 -22.247 -43.710 1.00 0.00 C ATOM 0 HA PRO A 80 33.648 -25.341 -43.149 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.617 -24.442 -41.414 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.976 -24.677 -43.113 1.00 0.00 H new ATOM 0 HG2 PRO A 80 35.277 -22.110 -41.668 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.554 -22.394 -42.835 1.00 0.00 H new ATOM 0 HD2 PRO A 80 34.219 -21.227 -43.589 1.00 0.00 H new ATOM 0 HD3 PRO A 80 35.076 -22.297 -44.681 1.00 0.00 H new ATOM 1273 N GLY A 81 32.769 -25.562 -40.851 1.00 0.00 N ATOM 1274 CA GLY A 81 31.988 -25.722 -39.619 1.00 0.00 C ATOM 1275 C GLY A 81 30.577 -26.228 -39.880 1.00 0.00 C ATOM 1276 O GLY A 81 29.926 -26.763 -38.977 1.00 0.00 O ATOM 0 H GLY A 81 33.116 -26.439 -41.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.502 -26.417 -38.956 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.936 -24.765 -39.100 1.00 0.00 H new ATOM 1280 N ASN A 82 30.099 -26.050 -41.123 1.00 0.00 N ATOM 1281 CA ASN A 82 28.756 -26.495 -41.545 1.00 0.00 C ATOM 1282 C ASN A 82 28.773 -27.998 -41.916 1.00 0.00 C ATOM 1283 O ASN A 82 29.755 -28.460 -42.506 1.00 0.00 O ATOM 1284 CB ASN A 82 28.261 -25.623 -42.734 1.00 0.00 C ATOM 1285 CG ASN A 82 27.974 -24.165 -42.347 1.00 0.00 C ATOM 1286 OD1 ASN A 82 28.262 -23.239 -43.104 1.00 0.00 O ATOM 1287 ND2 ASN A 82 27.375 -23.943 -41.183 1.00 0.00 N ATOM 0 H ASN A 82 30.631 -25.594 -41.865 1.00 0.00 H new ATOM 0 HA ASN A 82 28.060 -26.369 -40.715 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.012 -25.640 -43.524 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.355 -26.066 -43.147 1.00 0.00 H new ATOM 0 HD21 ASN A 82 27.145 -22.990 -40.901 1.00 0.00 H new ATOM 0 HD22 ASN A 82 27.145 -24.725 -40.570 1.00 0.00 H new ATOM 1294 N PRO A 83 27.681 -28.778 -41.574 1.00 0.00 N ATOM 1295 CA PRO A 83 27.629 -30.255 -41.780 1.00 0.00 C ATOM 1296 C PRO A 83 27.892 -30.681 -43.245 1.00 0.00 C ATOM 1297 O PRO A 83 27.500 -29.980 -44.183 1.00 0.00 O ATOM 1298 CB PRO A 83 26.196 -30.651 -41.308 1.00 0.00 C ATOM 1299 CG PRO A 83 25.424 -29.372 -41.265 1.00 0.00 C ATOM 1300 CD PRO A 83 26.423 -28.282 -40.958 1.00 0.00 C ATOM 0 HA PRO A 83 28.416 -30.763 -41.223 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.739 -31.363 -41.995 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.223 -31.127 -40.328 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.927 -29.186 -42.217 1.00 0.00 H new ATOM 0 HG3 PRO A 83 24.647 -29.413 -40.502 1.00 0.00 H new ATOM 0 HD2 PRO A 83 26.117 -27.326 -41.384 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.535 -28.131 -39.884 1.00 0.00 H new ATOM 1308 N ALA A 84 28.545 -31.849 -43.398 1.00 0.00 N ATOM 1309 CA ALA A 84 29.066 -32.345 -44.688 1.00 0.00 C ATOM 1310 C ALA A 84 27.938 -32.739 -45.663 1.00 0.00 C ATOM 1311 O ALA A 84 26.813 -32.987 -45.255 1.00 0.00 O ATOM 1312 CB ALA A 84 30.014 -33.536 -44.449 1.00 0.00 C ATOM 0 H ALA A 84 28.728 -32.483 -42.620 1.00 0.00 H new ATOM 0 HA ALA A 84 29.618 -31.529 -45.155 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.394 -33.896 -45.405 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.848 -33.217 -43.824 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.471 -34.338 -43.949 1.00 0.00 H new ATOM 1318 N ILE A 85 28.267 -32.800 -46.961 1.00 0.00 N ATOM 1319 CA ILE A 85 27.318 -33.217 -48.015 1.00 0.00 C ATOM 1320 C ILE A 85 27.066 -34.740 -47.955 1.00 0.00 C ATOM 1321 O ILE A 85 26.025 -35.235 -48.412 1.00 0.00 O ATOM 1322 CB ILE A 85 27.824 -32.798 -49.444 1.00 0.00 C ATOM 1323 CG1 ILE A 85 26.735 -33.105 -50.522 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.184 -33.458 -49.789 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.089 -32.693 -51.927 1.00 0.00 C ATOM 0 H ILE A 85 29.194 -32.563 -47.314 1.00 0.00 H new ATOM 0 HA ILE A 85 26.375 -32.702 -47.830 1.00 0.00 H new ATOM 0 HB ILE A 85 27.995 -31.722 -49.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 26.531 -34.176 -50.515 1.00 0.00 H new ATOM 0 HG13 ILE A 85 25.811 -32.603 -50.235 1.00 0.00 H new ATOM 0 HG21 ILE A 85 29.499 -33.143 -50.784 1.00 0.00 H new ATOM 0 HG22 ILE A 85 29.932 -33.153 -49.058 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.078 -34.543 -49.768 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.270 -32.949 -52.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.261 -31.617 -51.958 1.00 0.00 H new ATOM 0 HD13 ILE A 85 27.993 -33.214 -52.242 1.00 0.00 H new ATOM 1337 N ALA A 86 28.027 -35.469 -47.356 1.00 0.00 N ATOM 1338 CA ALA A 86 27.967 -36.936 -47.206 1.00 0.00 C ATOM 1339 C ALA A 86 26.778 -37.376 -46.322 1.00 0.00 C ATOM 1340 O ALA A 86 26.263 -38.488 -46.476 1.00 0.00 O ATOM 1341 CB ALA A 86 29.297 -37.461 -46.639 1.00 0.00 C ATOM 0 H ALA A 86 28.871 -35.055 -46.961 1.00 0.00 H new ATOM 0 HA ALA A 86 27.807 -37.369 -48.193 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.244 -38.544 -46.531 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.109 -37.203 -47.318 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.481 -37.008 -45.665 1.00 0.00 H new ATOM 1347 N GLU A 87 26.340 -36.487 -45.406 1.00 0.00 N ATOM 1348 CA GLU A 87 25.183 -36.747 -44.520 1.00 0.00 C ATOM 1349 C GLU A 87 23.884 -36.123 -45.083 1.00 0.00 C ATOM 1350 O GLU A 87 22.809 -36.284 -44.497 1.00 0.00 O ATOM 1351 CB GLU A 87 25.490 -36.231 -43.090 1.00 0.00 C ATOM 1352 CG GLU A 87 25.803 -34.733 -42.992 1.00 0.00 C ATOM 1353 CD GLU A 87 26.284 -34.305 -41.598 1.00 0.00 C ATOM 1354 OE1 GLU A 87 25.486 -34.362 -40.634 1.00 0.00 O ATOM 1355 OE2 GLU A 87 27.466 -33.918 -41.438 1.00 0.00 O ATOM 0 H GLU A 87 26.774 -35.575 -45.259 1.00 0.00 H new ATOM 0 HA GLU A 87 25.018 -37.823 -44.472 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.635 -36.450 -42.450 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.337 -36.790 -42.693 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.567 -34.479 -43.727 1.00 0.00 H new ATOM 0 HG3 GLU A 87 24.910 -34.164 -43.252 1.00 0.00 H new ATOM 1362 N PHE A 88 23.993 -35.405 -46.213 1.00 0.00 N ATOM 1363 CA PHE A 88 22.839 -34.777 -46.898 1.00 0.00 C ATOM 1364 C PHE A 88 22.293 -35.734 -47.978 1.00 0.00 C ATOM 1365 O PHE A 88 23.025 -36.118 -48.900 1.00 0.00 O ATOM 1366 CB PHE A 88 23.263 -33.422 -47.539 1.00 0.00 C ATOM 1367 CG PHE A 88 23.554 -32.271 -46.564 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.615 -30.968 -47.031 1.00 0.00 C ATOM 1369 CD2 PHE A 88 23.776 -32.478 -45.201 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.886 -29.916 -46.180 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.048 -31.425 -44.356 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.106 -30.145 -44.847 1.00 0.00 C ATOM 0 H PHE A 88 24.884 -35.240 -46.682 1.00 0.00 H new ATOM 0 HA PHE A 88 22.054 -34.581 -46.167 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.154 -33.593 -48.143 1.00 0.00 H new ATOM 0 HB3 PHE A 88 22.473 -33.103 -48.219 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.447 -30.772 -48.080 1.00 0.00 H new ATOM 0 HD2 PHE A 88 23.734 -33.481 -44.803 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.925 -28.908 -46.566 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.216 -31.607 -43.305 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.324 -29.320 -44.185 1.00 0.00 H new ATOM 1382 N ASP A 89 21.010 -36.119 -47.851 1.00 0.00 N ATOM 1383 CA ASP A 89 20.365 -37.084 -48.762 1.00 0.00 C ATOM 1384 C ASP A 89 19.677 -36.363 -49.943 1.00 0.00 C ATOM 1385 O ASP A 89 18.579 -35.802 -49.821 1.00 0.00 O ATOM 1386 CB ASP A 89 19.379 -38.024 -47.989 1.00 0.00 C ATOM 1387 CG ASP A 89 18.158 -37.327 -47.370 1.00 0.00 C ATOM 1388 OD1 ASP A 89 17.006 -37.753 -47.635 1.00 0.00 O ATOM 1389 OD2 ASP A 89 18.329 -36.323 -46.638 1.00 0.00 O ATOM 0 H ASP A 89 20.393 -35.772 -47.117 1.00 0.00 H new ATOM 0 HA ASP A 89 21.143 -37.719 -49.185 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.028 -38.796 -48.673 1.00 0.00 H new ATOM 0 HB3 ASP A 89 19.930 -38.528 -47.195 1.00 0.00 H new ATOM 1394 N TRP A 90 20.382 -36.339 -51.083 1.00 0.00 N ATOM 1395 CA TRP A 90 19.846 -35.860 -52.377 1.00 0.00 C ATOM 1396 C TRP A 90 19.052 -36.983 -53.076 1.00 0.00 C ATOM 1397 O TRP A 90 18.125 -36.723 -53.853 1.00 0.00 O ATOM 1398 CB TRP A 90 21.014 -35.378 -53.281 1.00 0.00 C ATOM 1399 CG TRP A 90 21.781 -34.198 -52.705 1.00 0.00 C ATOM 1400 CD1 TRP A 90 22.848 -34.232 -51.843 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.517 -32.808 -52.950 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.252 -32.955 -51.545 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.451 -32.067 -52.213 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.574 -32.122 -53.727 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.471 -30.677 -52.229 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.599 -30.745 -53.737 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.540 -30.034 -52.991 1.00 0.00 C ATOM 0 H TRP A 90 21.351 -36.654 -51.139 1.00 0.00 H new ATOM 0 HA TRP A 90 19.170 -35.024 -52.196 1.00 0.00 H new ATOM 0 HB2 TRP A 90 21.704 -36.206 -53.441 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.616 -35.101 -54.257 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.303 -35.132 -51.456 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.024 -32.707 -50.926 1.00 0.00 H new ATOM 0 HE3 TRP A 90 19.841 -32.663 -54.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.201 -30.124 -51.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.877 -30.206 -54.333 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.531 -28.954 -53.017 1.00 0.00 H new ATOM 1418 N THR A 91 19.413 -38.238 -52.738 1.00 0.00 N ATOM 1419 CA THR A 91 18.881 -39.459 -53.376 1.00 0.00 C ATOM 1420 C THR A 91 17.506 -39.885 -52.790 1.00 0.00 C ATOM 1421 O THR A 91 17.035 -40.992 -53.061 1.00 0.00 O ATOM 1422 CB THR A 91 19.940 -40.624 -53.274 1.00 0.00 C ATOM 1423 OG1 THR A 91 19.536 -41.762 -54.059 1.00 0.00 O ATOM 1424 CG2 THR A 91 20.190 -41.066 -51.821 1.00 0.00 C ATOM 0 H THR A 91 20.093 -38.434 -52.003 1.00 0.00 H new ATOM 0 HA THR A 91 18.704 -39.235 -54.428 1.00 0.00 H new ATOM 0 HB THR A 91 20.873 -40.223 -53.669 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.563 -41.864 -54.010 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.926 -41.870 -51.807 1.00 0.00 H new ATOM 0 HG22 THR A 91 20.564 -40.221 -51.243 1.00 0.00 H new ATOM 0 HG23 THR A 91 19.257 -41.421 -51.383 1.00 0.00 H new ATOM 1432 N THR A 92 16.849 -38.988 -52.014 1.00 0.00 N ATOM 1433 CA THR A 92 15.484 -39.230 -51.490 1.00 0.00 C ATOM 1434 C THR A 92 14.454 -39.369 -52.644 1.00 0.00 C ATOM 1435 O THR A 92 13.402 -39.985 -52.471 1.00 0.00 O ATOM 1436 CB THR A 92 15.040 -38.102 -50.494 1.00 0.00 C ATOM 1437 OG1 THR A 92 13.800 -38.443 -49.841 1.00 0.00 O ATOM 1438 CG2 THR A 92 14.889 -36.731 -51.176 1.00 0.00 C ATOM 0 H THR A 92 17.244 -38.089 -51.737 1.00 0.00 H new ATOM 0 HA THR A 92 15.514 -40.171 -50.942 1.00 0.00 H new ATOM 0 HB THR A 92 15.838 -38.026 -49.755 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.778 -38.039 -48.949 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.580 -35.990 -50.439 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.843 -36.434 -51.611 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.136 -36.796 -51.962 1.00 0.00 H new ATOM 1446 N SER A 93 14.784 -38.781 -53.808 1.00 0.00 N ATOM 1447 CA SER A 93 14.013 -38.933 -55.050 1.00 0.00 C ATOM 1448 C SER A 93 14.401 -40.248 -55.767 1.00 0.00 C ATOM 1449 O SER A 93 13.538 -40.982 -56.271 1.00 0.00 O ATOM 1450 CB SER A 93 14.285 -37.712 -55.957 1.00 0.00 C ATOM 1451 OG SER A 93 15.679 -37.499 -56.123 1.00 0.00 O ATOM 0 H SER A 93 15.602 -38.181 -53.911 1.00 0.00 H new ATOM 0 HA SER A 93 12.949 -38.982 -54.820 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.819 -37.867 -56.930 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.827 -36.823 -55.523 1.00 0.00 H new ATOM 0 HG SER A 93 15.825 -36.722 -56.702 1.00 0.00 H new ATOM 1457 N GLY A 94 15.718 -40.532 -55.785 1.00 0.00 N ATOM 1458 CA GLY A 94 16.277 -41.695 -56.482 1.00 0.00 C ATOM 1459 C GLY A 94 16.341 -42.943 -55.601 1.00 0.00 C ATOM 1460 O GLY A 94 17.427 -43.488 -55.356 1.00 0.00 O ATOM 0 H GLY A 94 16.419 -39.959 -55.316 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.672 -41.909 -57.363 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.280 -41.454 -56.834 1.00 0.00 H new ATOM 1464 N THR A 95 15.170 -43.374 -55.098 1.00 0.00 N ATOM 1465 CA THR A 95 15.020 -44.628 -54.339 1.00 0.00 C ATOM 1466 C THR A 95 13.580 -45.183 -54.566 1.00 0.00 C ATOM 1467 O THR A 95 12.721 -45.133 -53.664 1.00 0.00 O ATOM 1468 CB THR A 95 15.408 -44.431 -52.805 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.118 -45.621 -52.047 1.00 0.00 O ATOM 1470 CG2 THR A 95 14.711 -43.225 -52.138 1.00 0.00 C ATOM 1471 OXT THR A 95 13.300 -45.636 -55.696 1.00 0.00 O ATOM 0 H THR A 95 14.297 -42.859 -55.208 1.00 0.00 H new ATOM 0 HA THR A 95 15.721 -45.378 -54.705 1.00 0.00 H new ATOM 0 HB THR A 95 16.479 -44.229 -52.800 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.365 -45.480 -51.109 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.024 -43.155 -51.096 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.987 -42.310 -52.662 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.630 -43.358 -52.184 1.00 0.00 H new TER 1479 THR A 95