USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0307 (180deg=-0.215) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= -1.04 (180deg=-1.13) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 78:sc= 1.23! USER MOD Single : A 16 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.227 (180deg=-0.694!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.053 USER MOD Single : A 24 THR OG1 : rot -129:sc= -1.53 USER MOD Single : A 25 MET CE :methyl 141:sc= -1.82 (180deg=-6.16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 130:sc= -0.519 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 90:sc= 1.82 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.137 K(o=-0.14,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= -0.338 (180deg=-1.54) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.0997 (180deg=-0.511) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 51 ASN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -0.0158 (180deg=-0.169) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.956 -0.015 -0.053 1.00 0.00 N ATOM 2 CA MET A 1 2.725 -0.199 -1.279 1.00 0.00 C ATOM 3 C MET A 1 4.221 -0.235 -0.982 1.00 0.00 C ATOM 4 O MET A 1 5.033 0.239 -1.777 1.00 0.00 O ATOM 5 CB MET A 1 2.417 0.922 -2.273 1.00 0.00 C ATOM 6 CG MET A 1 1.014 0.851 -2.854 1.00 0.00 C ATOM 7 SD MET A 1 0.896 1.622 -4.480 1.00 0.00 S ATOM 8 CE MET A 1 -0.716 1.047 -5.010 1.00 0.00 C ATOM 0 H1 MET A 1 0.965 0.192 -0.292 1.00 0.00 H new ATOM 0 H2 MET A 1 2.000 -0.883 0.518 1.00 0.00 H new ATOM 0 H3 MET A 1 2.354 0.777 0.491 1.00 0.00 H new ATOM 0 HA MET A 1 2.437 -1.154 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.547 1.883 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.141 0.884 -3.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.708 -0.193 -2.928 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.318 1.340 -2.173 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.934 1.441 -6.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.721 -0.043 -5.043 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.475 1.392 -4.308 1.00 0.00 H new ATOM 18 N ASP A 2 4.578 -0.799 0.167 1.00 0.00 N ATOM 19 CA ASP A 2 5.977 -0.897 0.568 1.00 0.00 C ATOM 20 C ASP A 2 6.541 -2.276 0.240 1.00 0.00 C ATOM 21 O ASP A 2 7.296 -2.850 1.023 1.00 0.00 O ATOM 22 CB ASP A 2 6.121 -0.616 2.064 1.00 0.00 C ATOM 23 CG ASP A 2 5.195 -1.471 2.906 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.671 -2.475 2.379 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.994 -1.138 4.092 1.00 0.00 O ATOM 0 H ASP A 2 3.918 -1.195 0.837 1.00 0.00 H new ATOM 0 HA ASP A 2 6.543 -0.151 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.152 -0.796 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.912 0.437 2.255 1.00 0.00 H new ATOM 30 N GLU A 3 6.168 -2.801 -0.923 1.00 0.00 N ATOM 31 CA GLU A 3 6.635 -4.113 -1.353 1.00 0.00 C ATOM 32 C GLU A 3 7.514 -3.998 -2.595 1.00 0.00 C ATOM 33 O GLU A 3 7.020 -3.783 -3.703 1.00 0.00 O ATOM 34 CB GLU A 3 5.447 -5.034 -1.640 1.00 0.00 C ATOM 35 CG GLU A 3 4.335 -4.365 -2.430 1.00 0.00 C ATOM 36 CD GLU A 3 3.263 -5.342 -2.870 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.423 -5.722 -2.028 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.264 -5.728 -4.058 1.00 0.00 O ATOM 0 H GLU A 3 5.544 -2.338 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 3 7.230 -4.540 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.799 -5.906 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.042 -5.396 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.881 -3.583 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.760 -3.878 -3.308 1.00 0.00 H new ATOM 45 N THR A 4 8.822 -4.141 -2.403 1.00 0.00 N ATOM 46 CA THR A 4 9.771 -4.051 -3.506 1.00 0.00 C ATOM 47 C THR A 4 11.124 -4.636 -3.116 1.00 0.00 C ATOM 48 O THR A 4 11.738 -4.207 -2.140 1.00 0.00 O ATOM 49 CB THR A 4 9.966 -2.593 -3.961 1.00 0.00 C ATOM 50 OG1 THR A 4 9.732 -1.702 -2.865 1.00 0.00 O ATOM 51 CG2 THR A 4 9.026 -2.253 -5.108 1.00 0.00 C ATOM 0 H THR A 4 9.248 -4.320 -1.494 1.00 0.00 H new ATOM 0 HA THR A 4 9.353 -4.628 -4.331 1.00 0.00 H new ATOM 0 HB THR A 4 10.993 -2.479 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.860 -0.777 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.182 -1.218 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.227 -2.913 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.994 -2.384 -4.783 1.00 0.00 H new ATOM 59 N GLY A 5 11.584 -5.617 -3.886 1.00 0.00 N ATOM 60 CA GLY A 5 12.862 -6.244 -3.605 1.00 0.00 C ATOM 61 C GLY A 5 12.955 -7.649 -4.166 1.00 0.00 C ATOM 62 O GLY A 5 14.049 -8.189 -4.331 1.00 0.00 O ATOM 0 H GLY A 5 11.094 -5.989 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.662 -5.635 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.018 -6.276 -2.527 1.00 0.00 H new ATOM 66 N LYS A 6 11.804 -8.244 -4.460 1.00 0.00 N ATOM 67 CA LYS A 6 11.758 -9.595 -5.006 1.00 0.00 C ATOM 68 C LYS A 6 12.714 -9.737 -6.187 1.00 0.00 C ATOM 69 O LYS A 6 13.257 -10.814 -6.431 1.00 0.00 O ATOM 70 CB LYS A 6 10.334 -9.942 -5.445 1.00 0.00 C ATOM 71 CG LYS A 6 10.010 -9.504 -6.862 1.00 0.00 C ATOM 72 CD LYS A 6 9.955 -7.990 -6.979 1.00 0.00 C ATOM 73 CE LYS A 6 8.530 -7.472 -6.850 1.00 0.00 C ATOM 74 NZ LYS A 6 7.799 -8.133 -5.733 1.00 0.00 N ATOM 0 H LYS A 6 10.890 -7.811 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 6 12.069 -10.287 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.191 -11.020 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.627 -9.475 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.763 -9.896 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.053 -9.928 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.578 -7.541 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.369 -7.683 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.549 -6.395 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.996 -7.642 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.856 -7.706 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.700 -9.148 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.330 -8.007 -4.848 1.00 0.00 H new ATOM 88 N GLU A 7 12.915 -8.643 -6.915 1.00 0.00 N ATOM 89 CA GLU A 7 13.806 -8.648 -8.069 1.00 0.00 C ATOM 90 C GLU A 7 14.218 -7.227 -8.443 1.00 0.00 C ATOM 91 O GLU A 7 14.134 -6.829 -9.606 1.00 0.00 O ATOM 92 CB GLU A 7 13.128 -9.324 -9.262 1.00 0.00 C ATOM 93 CG GLU A 7 13.312 -10.832 -9.293 1.00 0.00 C ATOM 94 CD GLU A 7 12.043 -11.583 -8.940 1.00 0.00 C ATOM 95 OE1 GLU A 7 10.961 -11.173 -9.410 1.00 0.00 O ATOM 96 OE2 GLU A 7 12.132 -12.580 -8.194 1.00 0.00 O ATOM 0 H GLU A 7 12.473 -7.743 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 7 14.701 -9.210 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.062 -9.097 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.525 -8.899 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.643 -11.133 -10.287 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.101 -11.112 -8.595 1.00 0.00 H new ATOM 103 N LEU A 8 14.665 -6.466 -7.450 1.00 0.00 N ATOM 104 CA LEU A 8 15.091 -5.089 -7.673 1.00 0.00 C ATOM 105 C LEU A 8 16.455 -5.044 -8.354 1.00 0.00 C ATOM 106 O LEU A 8 17.297 -5.915 -8.137 1.00 0.00 O ATOM 107 CB LEU A 8 15.145 -4.330 -6.346 1.00 0.00 C ATOM 108 CG LEU A 8 13.912 -3.494 -6.000 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.949 -3.067 -4.541 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.820 -2.278 -6.911 1.00 0.00 C ATOM 0 H LEU A 8 14.742 -6.779 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 8 14.363 -4.611 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.307 -5.051 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.013 -3.671 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 8 13.025 -4.108 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.064 -2.473 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.967 -3.951 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.843 -2.470 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.937 -1.694 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.711 -1.662 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.746 -2.605 -7.948 1.00 0.00 H new ATOM 122 N VAL A 9 16.667 -4.022 -9.177 1.00 0.00 N ATOM 123 CA VAL A 9 17.930 -3.862 -9.887 1.00 0.00 C ATOM 124 C VAL A 9 18.535 -2.487 -9.628 1.00 0.00 C ATOM 125 O VAL A 9 17.817 -1.513 -9.397 1.00 0.00 O ATOM 126 CB VAL A 9 17.749 -4.052 -11.405 1.00 0.00 C ATOM 127 CG1 VAL A 9 17.033 -5.362 -11.697 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.991 -2.877 -12.002 1.00 0.00 C ATOM 0 H VAL A 9 15.980 -3.293 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 9 18.605 -4.631 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 9 18.735 -4.092 -11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.914 -5.479 -12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.619 -6.193 -11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.052 -5.354 -11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.872 -3.028 -13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.009 -2.803 -11.535 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.548 -1.957 -11.825 1.00 0.00 H new ATOM 138 N LEU A 10 19.861 -2.414 -9.667 1.00 0.00 N ATOM 139 CA LEU A 10 20.565 -1.157 -9.436 1.00 0.00 C ATOM 140 C LEU A 10 20.955 -0.501 -10.757 1.00 0.00 C ATOM 141 O LEU A 10 21.359 -1.178 -11.702 1.00 0.00 O ATOM 142 CB LEU A 10 21.813 -1.397 -8.585 1.00 0.00 C ATOM 143 CG LEU A 10 22.865 -0.287 -8.607 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.282 1.010 -8.068 1.00 0.00 C ATOM 145 CD2 LEU A 10 24.090 -0.698 -7.803 1.00 0.00 C ATOM 0 H LEU A 10 20.470 -3.210 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 10 19.893 -0.485 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.500 -1.553 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.283 -2.322 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 10 23.172 -0.122 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.044 1.789 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.436 1.312 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.948 0.860 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.828 0.103 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.800 -0.890 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.521 -1.602 -8.233 1.00 0.00 H new ATOM 157 N ALA A 11 20.834 0.821 -10.813 1.00 0.00 N ATOM 158 CA ALA A 11 21.178 1.569 -12.016 1.00 0.00 C ATOM 159 C ALA A 11 22.624 2.050 -11.969 1.00 0.00 C ATOM 160 O ALA A 11 22.937 3.044 -11.313 1.00 0.00 O ATOM 161 CB ALA A 11 20.233 2.749 -12.193 1.00 0.00 C ATOM 0 H ALA A 11 20.500 1.396 -10.039 1.00 0.00 H new ATOM 0 HA ALA A 11 21.072 0.901 -12.871 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.502 3.298 -13.095 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.209 2.385 -12.281 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.310 3.410 -11.329 1.00 0.00 H new ATOM 167 N LEU A 12 23.502 1.339 -12.668 1.00 0.00 N ATOM 168 CA LEU A 12 24.917 1.693 -12.705 1.00 0.00 C ATOM 169 C LEU A 12 25.116 3.074 -13.323 1.00 0.00 C ATOM 170 O LEU A 12 25.762 3.941 -12.734 1.00 0.00 O ATOM 171 CB LEU A 12 25.703 0.649 -13.499 1.00 0.00 C ATOM 172 CG LEU A 12 25.443 -0.812 -13.128 1.00 0.00 C ATOM 173 CD1 LEU A 12 26.091 -1.743 -14.142 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.957 -1.106 -11.727 1.00 0.00 C ATOM 0 H LEU A 12 23.259 0.514 -13.217 1.00 0.00 H new ATOM 0 HA LEU A 12 25.288 1.716 -11.680 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.476 0.780 -14.557 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.767 0.851 -13.373 1.00 0.00 H new ATOM 0 HG LEU A 12 24.367 -0.985 -13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.896 -2.778 -13.862 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.675 -1.550 -15.131 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.167 -1.569 -14.160 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.763 -2.150 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 12 27.030 -0.916 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.447 -0.463 -11.010 1.00 0.00 H new ATOM 186 N TYR A 13 24.556 3.271 -14.511 1.00 0.00 N ATOM 187 CA TYR A 13 24.673 4.547 -15.208 1.00 0.00 C ATOM 188 C TYR A 13 23.306 5.207 -15.368 1.00 0.00 C ATOM 189 O TYR A 13 22.280 4.529 -15.424 1.00 0.00 O ATOM 190 CB TYR A 13 25.318 4.344 -16.580 1.00 0.00 C ATOM 191 CG TYR A 13 26.699 3.733 -16.515 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.822 4.525 -16.307 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.882 2.364 -16.662 1.00 0.00 C ATOM 194 CE1 TYR A 13 29.086 3.971 -16.248 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.142 1.801 -16.603 1.00 0.00 C ATOM 196 CZ TYR A 13 29.241 2.609 -16.396 1.00 0.00 C ATOM 197 OH TYR A 13 30.498 2.053 -16.337 1.00 0.00 O ATOM 0 H TYR A 13 24.017 2.564 -15.012 1.00 0.00 H new ATOM 0 HA TYR A 13 25.305 5.203 -14.610 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.675 3.704 -17.184 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.379 5.306 -17.089 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.704 5.592 -16.189 1.00 0.00 H new ATOM 0 HD2 TYR A 13 26.024 1.729 -16.825 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.948 4.601 -16.087 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.266 0.734 -16.718 1.00 0.00 H new ATOM 0 HH TYR A 13 30.433 1.083 -16.459 1.00 0.00 H new ATOM 207 N ASP A 14 23.303 6.533 -15.443 1.00 0.00 N ATOM 208 CA ASP A 14 22.064 7.286 -15.599 1.00 0.00 C ATOM 209 C ASP A 14 21.456 7.053 -16.978 1.00 0.00 C ATOM 210 O ASP A 14 22.126 6.566 -17.889 1.00 0.00 O ATOM 211 CB ASP A 14 22.320 8.779 -15.386 1.00 0.00 C ATOM 212 CG ASP A 14 23.137 9.392 -16.507 1.00 0.00 C ATOM 213 OD1 ASP A 14 22.553 9.696 -17.568 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.360 9.567 -16.324 1.00 0.00 O ATOM 0 H ASP A 14 24.144 7.109 -15.398 1.00 0.00 H new ATOM 0 HA ASP A 14 21.357 6.935 -14.847 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.366 9.301 -15.308 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.841 8.924 -14.439 1.00 0.00 H new ATOM 219 N TYR A 15 20.183 7.403 -17.124 1.00 0.00 N ATOM 220 CA TYR A 15 19.483 7.229 -18.392 1.00 0.00 C ATOM 221 C TYR A 15 18.596 8.432 -18.694 1.00 0.00 C ATOM 222 O TYR A 15 18.439 9.325 -17.862 1.00 0.00 O ATOM 223 CB TYR A 15 18.639 5.953 -18.361 1.00 0.00 C ATOM 224 CG TYR A 15 18.393 5.358 -19.729 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.451 4.958 -20.535 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.101 5.195 -20.215 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.231 4.413 -21.785 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.872 4.651 -21.464 1.00 0.00 C ATOM 229 CZ TYR A 15 17.940 4.262 -22.245 1.00 0.00 C ATOM 230 OH TYR A 15 17.715 3.720 -23.490 1.00 0.00 O ATOM 0 H TYR A 15 19.615 7.809 -16.381 1.00 0.00 H new ATOM 0 HA TYR A 15 20.229 7.144 -19.182 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.138 5.212 -17.736 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.680 6.173 -17.891 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.464 5.075 -20.178 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.262 5.499 -19.606 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.065 4.107 -22.399 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.862 4.531 -21.827 1.00 0.00 H new ATOM 0 HH TYR A 15 17.818 2.746 -23.446 1.00 0.00 H new ATOM 240 N GLN A 16 18.017 8.447 -19.891 1.00 0.00 N ATOM 241 CA GLN A 16 17.145 9.540 -20.303 1.00 0.00 C ATOM 242 C GLN A 16 16.090 9.051 -21.290 1.00 0.00 C ATOM 243 O GLN A 16 16.361 8.905 -22.481 1.00 0.00 O ATOM 244 CB GLN A 16 17.967 10.666 -20.933 1.00 0.00 C ATOM 245 CG GLN A 16 18.087 11.898 -20.051 1.00 0.00 C ATOM 246 CD GLN A 16 19.312 11.860 -19.160 1.00 0.00 C ATOM 247 OE1 GLN A 16 20.429 11.636 -19.628 1.00 0.00 O ATOM 248 NE2 GLN A 16 19.110 12.080 -17.866 1.00 0.00 N ATOM 0 H GLN A 16 18.136 7.715 -20.591 1.00 0.00 H new ATOM 0 HA GLN A 16 16.638 9.922 -19.417 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.966 10.293 -21.159 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.511 10.951 -21.881 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.127 12.788 -20.679 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.194 11.985 -19.432 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.168 12.262 -17.521 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.897 12.067 -17.218 1.00 0.00 H new ATOM 257 N GLU A 17 14.886 8.801 -20.785 1.00 0.00 N ATOM 258 CA GLU A 17 13.790 8.327 -21.623 1.00 0.00 C ATOM 259 C GLU A 17 13.621 9.217 -22.852 1.00 0.00 C ATOM 260 O GLU A 17 13.903 10.415 -22.809 1.00 0.00 O ATOM 261 CB GLU A 17 12.486 8.290 -20.824 1.00 0.00 C ATOM 262 CG GLU A 17 12.222 9.559 -20.031 1.00 0.00 C ATOM 263 CD GLU A 17 10.743 9.823 -19.828 1.00 0.00 C ATOM 264 OE1 GLU A 17 9.981 8.845 -19.683 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.347 11.008 -19.815 1.00 0.00 O ATOM 0 H GLU A 17 14.645 8.919 -19.801 1.00 0.00 H new ATOM 0 HA GLU A 17 14.032 7.318 -21.956 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.655 8.120 -21.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.513 7.443 -20.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.711 9.484 -19.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.671 10.407 -20.549 1.00 0.00 H new ATOM 272 N LYS A 18 13.160 8.622 -23.947 1.00 0.00 N ATOM 273 CA LYS A 18 12.952 9.358 -25.188 1.00 0.00 C ATOM 274 C LYS A 18 11.498 9.267 -25.637 1.00 0.00 C ATOM 275 O LYS A 18 10.955 10.211 -26.211 1.00 0.00 O ATOM 276 CB LYS A 18 13.871 8.817 -26.286 1.00 0.00 C ATOM 277 CG LYS A 18 15.266 8.468 -25.795 1.00 0.00 C ATOM 278 CD LYS A 18 15.368 7.005 -25.398 1.00 0.00 C ATOM 279 CE LYS A 18 15.257 6.090 -26.607 1.00 0.00 C ATOM 280 NZ LYS A 18 13.906 5.473 -26.715 1.00 0.00 N ATOM 0 H LYS A 18 12.923 7.631 -24.000 1.00 0.00 H new ATOM 0 HA LYS A 18 13.192 10.405 -25.005 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.416 7.928 -26.724 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.950 9.559 -27.081 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.993 8.685 -26.578 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.520 9.096 -24.941 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.318 6.829 -24.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.579 6.765 -24.685 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.470 6.658 -27.513 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.010 5.305 -26.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.987 4.534 -27.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.492 5.376 -25.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.294 6.078 -27.299 1.00 0.00 H new ATOM 294 N SER A 19 10.871 8.125 -25.371 1.00 0.00 N ATOM 295 CA SER A 19 9.479 7.911 -25.750 1.00 0.00 C ATOM 296 C SER A 19 8.590 7.801 -24.515 1.00 0.00 C ATOM 297 O SER A 19 9.056 7.545 -23.405 1.00 0.00 O ATOM 298 CB SER A 19 9.349 6.646 -26.601 1.00 0.00 C ATOM 299 OG SER A 19 9.082 6.966 -27.955 1.00 0.00 O ATOM 0 H SER A 19 11.305 7.334 -24.895 1.00 0.00 H new ATOM 0 HA SER A 19 9.152 8.770 -26.336 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.269 6.065 -26.536 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.548 6.020 -26.207 1.00 0.00 H new ATOM 0 HG SER A 19 9.005 6.140 -28.477 1.00 0.00 H new ATOM 305 N PRO A 20 7.279 7.999 -24.712 1.00 0.00 N ATOM 306 CA PRO A 20 6.296 7.927 -23.627 1.00 0.00 C ATOM 307 C PRO A 20 6.103 6.504 -23.112 1.00 0.00 C ATOM 308 O PRO A 20 5.529 6.293 -22.044 1.00 0.00 O ATOM 309 CB PRO A 20 5.009 8.438 -24.279 1.00 0.00 C ATOM 310 CG PRO A 20 5.183 8.158 -25.732 1.00 0.00 C ATOM 311 CD PRO A 20 6.654 8.308 -26.009 1.00 0.00 C ATOM 0 HA PRO A 20 6.608 8.504 -22.757 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.133 7.927 -23.880 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.868 9.503 -24.095 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.840 7.154 -25.980 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.599 8.853 -26.336 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.988 7.624 -26.789 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.899 9.316 -26.343 1.00 0.00 H new ATOM 319 N ARG A 21 6.587 5.533 -23.879 1.00 0.00 N ATOM 320 CA ARG A 21 6.468 4.130 -23.500 1.00 0.00 C ATOM 321 C ARG A 21 7.782 3.607 -22.928 1.00 0.00 C ATOM 322 O ARG A 21 8.106 2.428 -23.069 1.00 0.00 O ATOM 323 CB ARG A 21 6.054 3.287 -24.708 1.00 0.00 C ATOM 324 CG ARG A 21 5.127 2.135 -24.358 1.00 0.00 C ATOM 325 CD ARG A 21 4.736 1.339 -25.594 1.00 0.00 C ATOM 326 NE ARG A 21 3.523 1.859 -26.219 1.00 0.00 N ATOM 327 CZ ARG A 21 2.300 1.627 -25.755 1.00 0.00 C ATOM 328 NH1 ARG A 21 2.129 0.888 -24.668 1.00 0.00 N ATOM 329 NH2 ARG A 21 1.245 2.136 -26.379 1.00 0.00 N ATOM 0 H ARG A 21 7.065 5.692 -24.766 1.00 0.00 H new ATOM 0 HA ARG A 21 5.700 4.052 -22.730 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.561 3.930 -25.437 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.949 2.889 -25.187 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.617 1.477 -23.640 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.230 2.522 -23.875 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.554 1.363 -26.314 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.584 0.295 -25.320 1.00 0.00 H new ATOM 0 HE ARG A 21 3.620 2.432 -27.058 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.938 0.496 -24.186 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.189 0.712 -24.314 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.373 2.706 -27.215 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.306 1.957 -26.022 1.00 0.00 H new ATOM 343 N GLU A 22 8.534 4.493 -22.282 1.00 0.00 N ATOM 344 CA GLU A 22 9.813 4.120 -21.689 1.00 0.00 C ATOM 345 C GLU A 22 10.037 4.855 -20.371 1.00 0.00 C ATOM 346 O GLU A 22 9.308 5.789 -20.036 1.00 0.00 O ATOM 347 CB GLU A 22 10.957 4.426 -22.658 1.00 0.00 C ATOM 348 CG GLU A 22 12.200 3.586 -22.417 1.00 0.00 C ATOM 349 CD GLU A 22 12.911 3.213 -23.704 1.00 0.00 C ATOM 350 OE1 GLU A 22 12.597 3.815 -24.752 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.781 2.318 -23.662 1.00 0.00 O ATOM 0 H GLU A 22 8.280 5.473 -22.156 1.00 0.00 H new ATOM 0 HA GLU A 22 9.793 3.049 -21.488 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.611 4.263 -23.679 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.220 5.481 -22.575 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.886 4.136 -21.773 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.922 2.677 -21.883 1.00 0.00 H new ATOM 358 N VAL A 23 11.052 4.428 -19.627 1.00 0.00 N ATOM 359 CA VAL A 23 11.374 5.045 -18.345 1.00 0.00 C ATOM 360 C VAL A 23 12.830 5.493 -18.301 1.00 0.00 C ATOM 361 O VAL A 23 13.569 5.338 -19.275 1.00 0.00 O ATOM 362 CB VAL A 23 11.110 4.079 -17.175 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.617 3.959 -16.908 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.719 2.715 -17.463 1.00 0.00 C ATOM 0 H VAL A 23 11.666 3.657 -19.890 1.00 0.00 H new ATOM 0 HA VAL A 23 10.726 5.915 -18.241 1.00 0.00 H new ATOM 0 HB VAL A 23 11.584 4.482 -16.280 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.450 3.272 -16.078 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.213 4.939 -16.655 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.117 3.579 -17.799 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.523 2.045 -16.626 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.276 2.303 -18.369 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.795 2.819 -17.600 1.00 0.00 H new ATOM 374 N THR A 24 13.239 6.049 -17.165 1.00 0.00 N ATOM 375 CA THR A 24 14.607 6.520 -16.993 1.00 0.00 C ATOM 376 C THR A 24 15.121 6.218 -15.590 1.00 0.00 C ATOM 377 O THR A 24 14.347 5.879 -14.696 1.00 0.00 O ATOM 378 CB THR A 24 14.716 8.035 -17.253 1.00 0.00 C ATOM 379 OG1 THR A 24 16.075 8.387 -17.535 1.00 0.00 O ATOM 380 CG2 THR A 24 14.221 8.826 -16.052 1.00 0.00 C ATOM 0 H THR A 24 12.641 6.184 -16.350 1.00 0.00 H new ATOM 0 HA THR A 24 15.218 5.988 -17.722 1.00 0.00 H new ATOM 0 HB THR A 24 14.092 8.280 -18.112 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.342 9.141 -16.969 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.307 9.893 -16.258 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.178 8.577 -15.857 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.823 8.576 -15.178 1.00 0.00 H new ATOM 388 N MET A 25 16.431 6.344 -15.405 1.00 0.00 N ATOM 389 CA MET A 25 17.047 6.086 -14.109 1.00 0.00 C ATOM 390 C MET A 25 18.172 7.079 -13.834 1.00 0.00 C ATOM 391 O MET A 25 18.548 7.863 -14.705 1.00 0.00 O ATOM 392 CB MET A 25 17.588 4.656 -14.053 1.00 0.00 C ATOM 393 CG MET A 25 16.668 3.632 -14.697 1.00 0.00 C ATOM 394 SD MET A 25 17.054 3.347 -16.435 1.00 0.00 S ATOM 395 CE MET A 25 18.727 2.719 -16.312 1.00 0.00 C ATOM 0 H MET A 25 17.086 6.623 -16.136 1.00 0.00 H new ATOM 0 HA MET A 25 16.283 6.208 -13.341 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.558 4.624 -14.549 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.753 4.379 -13.012 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.742 2.690 -14.153 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.636 3.971 -14.609 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.868 1.914 -17.034 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.433 3.522 -16.522 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.899 2.338 -15.305 1.00 0.00 H new ATOM 405 N LYS A 26 18.706 7.039 -12.618 1.00 0.00 N ATOM 406 CA LYS A 26 19.789 7.935 -12.228 1.00 0.00 C ATOM 407 C LYS A 26 20.969 7.149 -11.667 1.00 0.00 C ATOM 408 O LYS A 26 20.808 6.029 -11.182 1.00 0.00 O ATOM 409 CB LYS A 26 19.294 8.944 -11.190 1.00 0.00 C ATOM 410 CG LYS A 26 18.521 10.105 -11.790 1.00 0.00 C ATOM 411 CD LYS A 26 18.462 11.288 -10.838 1.00 0.00 C ATOM 412 CE LYS A 26 17.609 10.978 -9.617 1.00 0.00 C ATOM 413 NZ LYS A 26 17.284 12.207 -8.841 1.00 0.00 N ATOM 0 H LYS A 26 18.407 6.396 -11.885 1.00 0.00 H new ATOM 0 HA LYS A 26 20.122 8.471 -13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.658 8.429 -10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.149 9.334 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.991 10.412 -12.724 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.509 9.782 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.471 11.552 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.054 12.155 -11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.685 10.493 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.136 10.272 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.702 11.954 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.164 12.656 -8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.758 12.870 -9.445 1.00 0.00 H new ATOM 427 N LYS A 27 22.156 7.743 -11.735 1.00 0.00 N ATOM 428 CA LYS A 27 23.364 7.101 -11.231 1.00 0.00 C ATOM 429 C LYS A 27 23.190 6.680 -9.775 1.00 0.00 C ATOM 430 O LYS A 27 23.282 7.504 -8.866 1.00 0.00 O ATOM 431 CB LYS A 27 24.561 8.045 -11.361 1.00 0.00 C ATOM 432 CG LYS A 27 24.284 9.450 -10.854 1.00 0.00 C ATOM 433 CD LYS A 27 24.157 10.441 -11.999 1.00 0.00 C ATOM 434 CE LYS A 27 24.732 11.799 -11.628 1.00 0.00 C ATOM 435 NZ LYS A 27 26.137 11.954 -12.097 1.00 0.00 N ATOM 0 H LYS A 27 22.307 8.669 -12.135 1.00 0.00 H new ATOM 0 HA LYS A 27 23.547 6.208 -11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.404 7.628 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.860 8.098 -12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.366 9.451 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.088 9.763 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.675 10.053 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.107 10.551 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.115 12.585 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 27 24.694 11.926 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.492 12.893 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.731 11.219 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.170 11.858 -13.132 1.00 0.00 H new ATOM 449 N GLY A 28 22.939 5.392 -9.562 1.00 0.00 N ATOM 450 CA GLY A 28 22.758 4.885 -8.214 1.00 0.00 C ATOM 451 C GLY A 28 21.296 4.714 -7.850 1.00 0.00 C ATOM 452 O GLY A 28 20.938 4.714 -6.672 1.00 0.00 O ATOM 0 H GLY A 28 22.858 4.691 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.268 3.926 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.228 5.568 -7.506 1.00 0.00 H new ATOM 456 N ASP A 29 20.449 4.570 -8.864 1.00 0.00 N ATOM 457 CA ASP A 29 19.017 4.398 -8.645 1.00 0.00 C ATOM 458 C ASP A 29 18.658 2.920 -8.537 1.00 0.00 C ATOM 459 O ASP A 29 19.505 2.049 -8.739 1.00 0.00 O ATOM 460 CB ASP A 29 18.225 5.047 -9.781 1.00 0.00 C ATOM 461 CG ASP A 29 16.831 5.461 -9.352 1.00 0.00 C ATOM 462 OD1 ASP A 29 16.696 6.044 -8.255 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.875 5.202 -10.112 1.00 0.00 O ATOM 0 H ASP A 29 20.729 4.569 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 29 18.756 4.886 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.765 5.922 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.153 4.349 -10.615 1.00 0.00 H new ATOM 468 N ILE A 30 17.398 2.644 -8.217 1.00 0.00 N ATOM 469 CA ILE A 30 16.927 1.271 -8.082 1.00 0.00 C ATOM 470 C ILE A 30 15.524 1.113 -8.656 1.00 0.00 C ATOM 471 O ILE A 30 14.623 1.894 -8.348 1.00 0.00 O ATOM 472 CB ILE A 30 16.922 0.820 -6.610 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.278 1.103 -5.962 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.579 -0.659 -6.510 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.350 0.696 -4.506 1.00 0.00 C ATOM 0 H ILE A 30 16.685 3.353 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 30 17.619 0.643 -8.643 1.00 0.00 H new ATOM 0 HB ILE A 30 16.160 1.387 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.054 0.575 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.496 2.168 -6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.580 -0.963 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.592 -0.833 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.320 -1.242 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.340 0.926 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.597 1.243 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.164 -0.374 -4.418 1.00 0.00 H new ATOM 487 N LEU A 31 15.344 0.095 -9.491 1.00 0.00 N ATOM 488 CA LEU A 31 14.048 -0.168 -10.108 1.00 0.00 C ATOM 489 C LEU A 31 13.666 -1.638 -9.966 1.00 0.00 C ATOM 490 O LEU A 31 14.502 -2.528 -10.133 1.00 0.00 O ATOM 491 CB LEU A 31 14.076 0.222 -11.586 1.00 0.00 C ATOM 492 CG LEU A 31 14.100 1.722 -11.884 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.986 2.434 -11.132 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.454 2.316 -11.522 1.00 0.00 C ATOM 0 H LEU A 31 16.078 -0.561 -9.756 1.00 0.00 H new ATOM 0 HA LEU A 31 13.300 0.435 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.954 -0.233 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.202 -0.211 -12.072 1.00 0.00 H new ATOM 0 HG LEU A 31 13.937 1.863 -12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.019 3.500 -11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.022 2.028 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.117 2.285 -10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.453 3.384 -11.741 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.646 2.163 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.234 1.827 -12.106 1.00 0.00 H new ATOM 506 N THR A 32 12.397 -1.888 -9.658 1.00 0.00 N ATOM 507 CA THR A 32 11.904 -3.250 -9.495 1.00 0.00 C ATOM 508 C THR A 32 11.696 -3.925 -10.846 1.00 0.00 C ATOM 509 O THR A 32 10.917 -3.451 -11.674 1.00 0.00 O ATOM 510 CB THR A 32 10.579 -3.277 -8.710 1.00 0.00 C ATOM 511 OG1 THR A 32 10.567 -2.231 -7.733 1.00 0.00 O ATOM 512 CG2 THR A 32 10.383 -4.621 -8.025 1.00 0.00 C ATOM 0 H THR A 32 11.692 -1.165 -9.516 1.00 0.00 H new ATOM 0 HA THR A 32 12.662 -3.796 -8.933 1.00 0.00 H new ATOM 0 HB THR A 32 9.762 -3.124 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.734 -1.721 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.441 -4.616 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.363 -5.412 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.205 -4.799 -7.332 1.00 0.00 H new ATOM 520 N LEU A 33 12.395 -5.033 -11.062 1.00 0.00 N ATOM 521 CA LEU A 33 12.286 -5.775 -12.314 1.00 0.00 C ATOM 522 C LEU A 33 10.929 -6.461 -12.423 1.00 0.00 C ATOM 523 O LEU A 33 10.483 -7.131 -11.491 1.00 0.00 O ATOM 524 CB LEU A 33 13.405 -6.813 -12.413 1.00 0.00 C ATOM 525 CG LEU A 33 13.488 -7.586 -13.730 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.475 -8.720 -13.747 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.267 -6.653 -14.911 1.00 0.00 C ATOM 0 H LEU A 33 13.044 -5.438 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 33 12.382 -5.067 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.357 -6.308 -12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.282 -7.530 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 33 14.486 -8.016 -13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.548 -9.259 -14.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.680 -9.403 -12.922 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.470 -8.312 -13.639 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.330 -7.220 -15.840 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.282 -6.193 -14.832 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.031 -5.876 -14.909 1.00 0.00 H new ATOM 539 N LEU A 34 10.277 -6.292 -13.568 1.00 0.00 N ATOM 540 CA LEU A 34 8.970 -6.897 -13.802 1.00 0.00 C ATOM 541 C LEU A 34 9.064 -8.013 -14.837 1.00 0.00 C ATOM 542 O LEU A 34 8.425 -9.056 -14.700 1.00 0.00 O ATOM 543 CB LEU A 34 7.971 -5.837 -14.267 1.00 0.00 C ATOM 544 CG LEU A 34 7.121 -5.189 -13.174 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.146 -6.198 -12.587 1.00 0.00 C ATOM 546 CD2 LEU A 34 8.009 -4.606 -12.083 1.00 0.00 C ATOM 0 H LEU A 34 10.632 -5.741 -14.349 1.00 0.00 H new ATOM 0 HA LEU A 34 8.623 -7.327 -12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.521 -5.051 -14.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.302 -6.293 -14.997 1.00 0.00 H new ATOM 0 HG LEU A 34 6.547 -4.377 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.550 -5.719 -11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.488 -6.568 -13.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.701 -7.031 -12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.387 -4.149 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.610 -5.400 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.667 -3.851 -12.514 1.00 0.00 H new ATOM 558 N ASN A 35 9.867 -7.787 -15.872 1.00 0.00 N ATOM 559 CA ASN A 35 10.046 -8.774 -16.930 1.00 0.00 C ATOM 560 C ASN A 35 11.435 -8.661 -17.550 1.00 0.00 C ATOM 561 O ASN A 35 11.899 -7.565 -17.865 1.00 0.00 O ATOM 562 CB ASN A 35 8.977 -8.595 -18.010 1.00 0.00 C ATOM 563 CG ASN A 35 7.854 -9.607 -17.887 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.764 -9.286 -17.414 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.117 -10.837 -18.312 1.00 0.00 N ATOM 0 H ASN A 35 10.404 -6.929 -16.000 1.00 0.00 H new ATOM 0 HA ASN A 35 9.944 -9.765 -16.488 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.564 -7.588 -17.945 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.439 -8.687 -18.993 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.401 -11.561 -18.253 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.035 -11.058 -18.697 1.00 0.00 H new ATOM 572 N SER A 36 12.095 -9.802 -17.724 1.00 0.00 N ATOM 573 CA SER A 36 13.433 -9.832 -18.303 1.00 0.00 C ATOM 574 C SER A 36 13.531 -10.900 -19.388 1.00 0.00 C ATOM 575 O SER A 36 14.581 -11.516 -19.577 1.00 0.00 O ATOM 576 CB SER A 36 14.476 -10.095 -17.216 1.00 0.00 C ATOM 577 OG SER A 36 15.783 -10.133 -17.762 1.00 0.00 O ATOM 0 H SER A 36 11.724 -10.718 -17.472 1.00 0.00 H new ATOM 0 HA SER A 36 13.629 -8.860 -18.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.418 -9.316 -16.456 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.258 -11.041 -16.720 1.00 0.00 H new ATOM 0 HG SER A 36 16.169 -9.232 -17.749 1.00 0.00 H new ATOM 583 N THR A 37 12.430 -11.114 -20.100 1.00 0.00 N ATOM 584 CA THR A 37 12.390 -12.108 -21.166 1.00 0.00 C ATOM 585 C THR A 37 13.439 -11.814 -22.231 1.00 0.00 C ATOM 586 O THR A 37 13.847 -12.703 -22.977 1.00 0.00 O ATOM 587 CB THR A 37 11.001 -12.164 -21.831 1.00 0.00 C ATOM 588 OG1 THR A 37 11.027 -13.063 -22.944 1.00 0.00 O ATOM 589 CG2 THR A 37 10.570 -10.782 -22.298 1.00 0.00 C ATOM 0 H THR A 37 11.553 -10.612 -19.958 1.00 0.00 H new ATOM 0 HA THR A 37 12.603 -13.073 -20.706 1.00 0.00 H new ATOM 0 HB THR A 37 10.283 -12.522 -21.093 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.140 -13.094 -23.360 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.587 -10.846 -22.764 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.523 -10.107 -21.443 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.291 -10.401 -23.022 1.00 0.00 H new ATOM 597 N ASN A 38 13.874 -10.559 -22.297 1.00 0.00 N ATOM 598 CA ASN A 38 14.877 -10.148 -23.273 1.00 0.00 C ATOM 599 C ASN A 38 16.284 -10.296 -22.702 1.00 0.00 C ATOM 600 O ASN A 38 16.459 -10.672 -21.542 1.00 0.00 O ATOM 601 CB ASN A 38 14.638 -8.698 -23.700 1.00 0.00 C ATOM 602 CG ASN A 38 15.086 -8.435 -25.125 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.202 -7.971 -25.361 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.215 -8.730 -26.083 1.00 0.00 N ATOM 0 H ASN A 38 13.548 -9.810 -21.686 1.00 0.00 H new ATOM 0 HA ASN A 38 14.788 -10.796 -24.145 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.577 -8.464 -23.606 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.173 -8.030 -23.025 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.460 -8.574 -27.061 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.301 -9.113 -25.841 1.00 0.00 H new ATOM 611 N LYS A 39 17.284 -9.998 -23.523 1.00 0.00 N ATOM 612 CA LYS A 39 18.677 -10.095 -23.101 1.00 0.00 C ATOM 613 C LYS A 39 19.416 -8.786 -23.358 1.00 0.00 C ATOM 614 O LYS A 39 20.646 -8.748 -23.366 1.00 0.00 O ATOM 615 CB LYS A 39 19.375 -11.241 -23.838 1.00 0.00 C ATOM 616 CG LYS A 39 19.136 -11.235 -25.338 1.00 0.00 C ATOM 617 CD LYS A 39 19.933 -12.326 -26.034 1.00 0.00 C ATOM 618 CE LYS A 39 19.533 -13.708 -25.541 1.00 0.00 C ATOM 619 NZ LYS A 39 20.366 -14.148 -24.387 1.00 0.00 N ATOM 0 H LYS A 39 17.156 -9.687 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 39 18.693 -10.296 -22.030 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.447 -11.184 -23.649 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.029 -12.190 -23.427 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.074 -11.375 -25.539 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.413 -10.263 -25.748 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.775 -12.263 -27.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.997 -12.169 -25.858 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.483 -13.699 -25.249 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.631 -14.426 -26.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.919 -14.986 -24.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.012 -13.380 -24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.749 -14.385 -23.584 1.00 0.00 H new ATOM 633 N ASP A 40 18.658 -7.715 -23.566 1.00 0.00 N ATOM 634 CA ASP A 40 19.242 -6.403 -23.820 1.00 0.00 C ATOM 635 C ASP A 40 18.481 -5.315 -23.069 1.00 0.00 C ATOM 636 O ASP A 40 19.082 -4.411 -22.489 1.00 0.00 O ATOM 637 CB ASP A 40 19.239 -6.102 -25.320 1.00 0.00 C ATOM 638 CG ASP A 40 20.204 -6.984 -26.089 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.330 -7.202 -25.596 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.831 -7.456 -27.183 1.00 0.00 O ATOM 0 H ASP A 40 17.638 -7.729 -23.564 1.00 0.00 H new ATOM 0 HA ASP A 40 20.271 -6.415 -23.461 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.232 -6.241 -25.714 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.502 -5.056 -25.478 1.00 0.00 H new ATOM 645 N TRP A 41 17.156 -5.408 -23.085 1.00 0.00 N ATOM 646 CA TRP A 41 16.313 -4.431 -22.406 1.00 0.00 C ATOM 647 C TRP A 41 15.387 -5.112 -21.405 1.00 0.00 C ATOM 648 O TRP A 41 14.677 -6.058 -21.747 1.00 0.00 O ATOM 649 CB TRP A 41 15.490 -3.641 -23.426 1.00 0.00 C ATOM 650 CG TRP A 41 16.330 -2.897 -24.419 1.00 0.00 C ATOM 651 CD1 TRP A 41 16.812 -3.373 -25.605 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.788 -1.545 -24.311 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.542 -2.398 -26.241 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.542 -1.267 -25.468 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.634 -0.541 -23.351 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.139 -0.029 -25.688 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.227 0.687 -23.571 1.00 0.00 C ATOM 658 CH2 TRP A 41 17.972 0.935 -24.731 1.00 0.00 C ATOM 0 H TRP A 41 16.643 -6.150 -23.561 1.00 0.00 H new ATOM 0 HA TRP A 41 16.962 -3.744 -21.862 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.831 -4.326 -23.959 1.00 0.00 H new ATOM 0 HB3 TRP A 41 14.852 -2.933 -22.897 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.644 -4.369 -25.987 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.008 -2.500 -27.142 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.062 -0.722 -22.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.713 0.164 -26.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.114 1.470 -22.836 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.423 1.906 -24.873 1.00 0.00 H new ATOM 669 N TRP A 42 15.399 -4.627 -20.169 1.00 0.00 N ATOM 670 CA TRP A 42 14.559 -5.191 -19.119 1.00 0.00 C ATOM 671 C TRP A 42 13.387 -4.268 -18.805 1.00 0.00 C ATOM 672 O TRP A 42 13.503 -3.046 -18.900 1.00 0.00 O ATOM 673 CB TRP A 42 15.384 -5.436 -17.854 1.00 0.00 C ATOM 674 CG TRP A 42 16.416 -6.510 -18.018 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.429 -7.498 -18.961 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.584 -6.706 -17.213 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.535 -8.296 -18.791 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.260 -7.831 -17.726 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.126 -6.040 -16.110 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.447 -8.302 -17.173 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.304 -6.510 -15.562 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.955 -7.631 -16.093 1.00 0.00 C ATOM 0 H TRP A 42 15.981 -3.845 -19.869 1.00 0.00 H new ATOM 0 HA TRP A 42 14.163 -6.142 -19.476 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.878 -4.508 -17.565 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.714 -5.707 -17.038 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.680 -7.632 -19.728 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.777 -9.104 -19.365 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.633 -5.174 -15.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 19.950 -9.166 -17.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.731 -6.004 -14.709 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.875 -7.972 -15.642 1.00 0.00 H new ATOM 693 N LYS A 43 12.258 -4.859 -18.430 1.00 0.00 N ATOM 694 CA LYS A 43 11.064 -4.090 -18.100 1.00 0.00 C ATOM 695 C LYS A 43 10.927 -3.918 -16.591 1.00 0.00 C ATOM 696 O LYS A 43 10.722 -4.889 -15.862 1.00 0.00 O ATOM 697 CB LYS A 43 9.817 -4.778 -18.661 1.00 0.00 C ATOM 698 CG LYS A 43 8.526 -4.035 -18.364 1.00 0.00 C ATOM 699 CD LYS A 43 8.184 -3.049 -19.468 1.00 0.00 C ATOM 700 CE LYS A 43 7.161 -3.626 -20.434 1.00 0.00 C ATOM 701 NZ LYS A 43 5.847 -3.863 -19.773 1.00 0.00 N ATOM 0 H LYS A 43 12.145 -5.869 -18.347 1.00 0.00 H new ATOM 0 HA LYS A 43 11.162 -3.103 -18.553 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.925 -4.884 -19.740 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.751 -5.784 -18.247 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.712 -4.750 -18.249 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.620 -3.504 -17.417 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.794 -2.131 -19.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.090 -2.782 -20.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.028 -2.943 -21.273 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.536 -4.564 -20.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.086 -3.791 -20.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.838 -4.813 -19.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.699 -3.151 -19.030 1.00 0.00 H new ATOM 715 N VAL A 44 11.039 -2.677 -16.128 1.00 0.00 N ATOM 716 CA VAL A 44 10.925 -2.379 -14.705 1.00 0.00 C ATOM 717 C VAL A 44 9.710 -1.502 -14.423 1.00 0.00 C ATOM 718 O VAL A 44 9.165 -0.872 -15.328 1.00 0.00 O ATOM 719 CB VAL A 44 12.188 -1.672 -14.177 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.374 -2.624 -14.182 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.487 -0.429 -15.002 1.00 0.00 C ATOM 0 H VAL A 44 11.209 -1.862 -16.717 1.00 0.00 H new ATOM 0 HA VAL A 44 10.809 -3.333 -14.190 1.00 0.00 H new ATOM 0 HB VAL A 44 12.007 -1.362 -13.148 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.257 -2.107 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.156 -3.481 -13.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.561 -2.967 -15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.382 0.058 -14.615 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.649 -0.713 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.644 0.260 -14.941 1.00 0.00 H new ATOM 731 N GLU A 45 9.292 -1.467 -13.162 1.00 0.00 N ATOM 732 CA GLU A 45 8.141 -0.668 -12.761 1.00 0.00 C ATOM 733 C GLU A 45 8.576 0.534 -11.928 1.00 0.00 C ATOM 734 O GLU A 45 9.072 0.383 -10.811 1.00 0.00 O ATOM 735 CB GLU A 45 7.151 -1.521 -11.966 1.00 0.00 C ATOM 736 CG GLU A 45 5.974 -0.734 -11.415 1.00 0.00 C ATOM 737 CD GLU A 45 4.972 -1.613 -10.692 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.137 -2.246 -11.371 1.00 0.00 O ATOM 739 OE2 GLU A 45 5.023 -1.668 -9.445 1.00 0.00 O ATOM 0 H GLU A 45 9.733 -1.983 -12.401 1.00 0.00 H new ATOM 0 HA GLU A 45 7.652 -0.304 -13.665 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.776 -2.319 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.677 -1.998 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.341 0.031 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.473 -0.216 -12.233 1.00 0.00 H new ATOM 746 N VAL A 46 8.388 1.729 -12.480 1.00 0.00 N ATOM 747 CA VAL A 46 8.761 2.957 -11.789 1.00 0.00 C ATOM 748 C VAL A 46 7.538 3.643 -11.189 1.00 0.00 C ATOM 749 O VAL A 46 6.402 3.239 -11.437 1.00 0.00 O ATOM 750 CB VAL A 46 9.473 3.941 -12.736 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.679 3.278 -13.385 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.507 4.458 -13.791 1.00 0.00 C ATOM 0 H VAL A 46 7.980 1.872 -13.404 1.00 0.00 H new ATOM 0 HA VAL A 46 9.446 2.674 -10.989 1.00 0.00 H new ATOM 0 HB VAL A 46 9.826 4.791 -12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.170 3.988 -14.051 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.380 2.961 -12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.353 2.410 -13.957 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.027 5.152 -14.451 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.123 3.621 -14.374 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.678 4.972 -13.305 1.00 0.00 H new ATOM 762 N LYS A 47 7.779 4.682 -10.397 1.00 0.00 N ATOM 763 CA LYS A 47 6.698 5.427 -9.762 1.00 0.00 C ATOM 764 C LYS A 47 6.681 6.875 -10.239 1.00 0.00 C ATOM 765 O LYS A 47 7.724 7.446 -10.557 1.00 0.00 O ATOM 766 CB LYS A 47 6.846 5.383 -8.239 1.00 0.00 C ATOM 767 CG LYS A 47 6.864 3.974 -7.671 1.00 0.00 C ATOM 768 CD LYS A 47 6.950 3.986 -6.154 1.00 0.00 C ATOM 769 CE LYS A 47 5.736 4.661 -5.533 1.00 0.00 C ATOM 770 NZ LYS A 47 5.582 4.309 -4.094 1.00 0.00 N ATOM 0 H LYS A 47 8.714 5.028 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 47 5.755 4.959 -10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.768 5.891 -7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.024 5.938 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.963 3.444 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.713 3.426 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.028 2.963 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.856 4.507 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.830 5.742 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.839 4.367 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.744 4.788 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.467 3.280 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.427 4.613 -3.570 1.00 0.00 H new ATOM 784 N ALA A 48 5.490 7.465 -10.286 1.00 0.00 N ATOM 785 CA ALA A 48 5.339 8.847 -10.721 1.00 0.00 C ATOM 786 C ALA A 48 4.297 9.577 -9.880 1.00 0.00 C ATOM 787 O ALA A 48 3.489 8.951 -9.193 1.00 0.00 O ATOM 788 CB ALA A 48 4.961 8.899 -12.194 1.00 0.00 C ATOM 0 H ALA A 48 4.616 7.006 -10.028 1.00 0.00 H new ATOM 0 HA ALA A 48 6.296 9.351 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.852 9.938 -12.505 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.742 8.423 -12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.018 8.373 -12.347 1.00 0.00 H new ATOM 794 N THR A 49 4.321 10.905 -9.937 1.00 0.00 N ATOM 795 CA THR A 49 3.380 11.720 -9.179 1.00 0.00 C ATOM 796 C THR A 49 2.823 12.854 -10.032 1.00 0.00 C ATOM 797 O THR A 49 3.542 13.788 -10.385 1.00 0.00 O ATOM 798 CB THR A 49 4.040 12.315 -7.921 1.00 0.00 C ATOM 799 OG1 THR A 49 4.862 11.330 -7.286 1.00 0.00 O ATOM 800 CG2 THR A 49 2.987 12.812 -6.942 1.00 0.00 C ATOM 0 H THR A 49 4.982 11.439 -10.501 1.00 0.00 H new ATOM 0 HA THR A 49 2.565 11.063 -8.877 1.00 0.00 H new ATOM 0 HB THR A 49 4.657 13.160 -8.226 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.279 11.717 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.476 13.228 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.382 13.583 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.347 11.982 -6.643 1.00 0.00 H new ATOM 808 N ALA A 50 1.538 12.766 -10.359 1.00 0.00 N ATOM 809 CA ALA A 50 0.884 13.787 -11.168 1.00 0.00 C ATOM 810 C ALA A 50 -0.509 14.102 -10.634 1.00 0.00 C ATOM 811 O ALA A 50 -1.163 13.247 -10.038 1.00 0.00 O ATOM 812 CB ALA A 50 0.806 13.339 -12.620 1.00 0.00 C ATOM 0 H ALA A 50 0.929 11.998 -10.076 1.00 0.00 H new ATOM 0 HA ALA A 50 1.480 14.698 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.315 14.111 -13.213 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.812 13.172 -13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.234 12.413 -12.685 1.00 0.00 H new ATOM 818 N ASN A 51 -0.956 15.334 -10.852 1.00 0.00 N ATOM 819 CA ASN A 51 -2.272 15.762 -10.391 1.00 0.00 C ATOM 820 C ASN A 51 -2.424 15.533 -8.890 1.00 0.00 C ATOM 821 O ASN A 51 -3.519 15.260 -8.401 1.00 0.00 O ATOM 822 CB ASN A 51 -3.369 15.011 -11.147 1.00 0.00 C ATOM 823 CG ASN A 51 -3.095 14.932 -12.636 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.328 15.890 -13.373 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.598 13.786 -13.086 1.00 0.00 N ATOM 0 H ASN A 51 -0.427 16.054 -11.345 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.369 16.829 -10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.460 14.003 -10.743 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.325 15.508 -10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.394 13.674 -14.079 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.420 13.018 -12.439 1.00 0.00 H new ATOM 832 N GLY A 52 -1.315 15.645 -8.164 1.00 0.00 N ATOM 833 CA GLY A 52 -1.346 15.447 -6.727 1.00 0.00 C ATOM 834 C GLY A 52 -1.610 14.004 -6.346 1.00 0.00 C ATOM 835 O GLY A 52 -2.040 13.717 -5.229 1.00 0.00 O ATOM 0 H GLY A 52 -0.396 15.869 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.395 15.764 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.119 16.081 -6.293 1.00 0.00 H new ATOM 839 N LYS A 53 -1.354 13.092 -7.278 1.00 0.00 N ATOM 840 CA LYS A 53 -1.567 11.670 -7.035 1.00 0.00 C ATOM 841 C LYS A 53 -0.359 10.855 -7.486 1.00 0.00 C ATOM 842 O LYS A 53 0.286 11.180 -8.484 1.00 0.00 O ATOM 843 CB LYS A 53 -2.822 11.189 -7.767 1.00 0.00 C ATOM 844 CG LYS A 53 -3.521 10.030 -7.078 1.00 0.00 C ATOM 845 CD LYS A 53 -4.304 10.495 -5.862 1.00 0.00 C ATOM 846 CE LYS A 53 -5.634 11.118 -6.259 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.486 11.410 -5.074 1.00 0.00 N ATOM 0 H LYS A 53 -0.999 13.312 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.701 11.526 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.520 12.021 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.550 10.889 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.195 9.541 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.783 9.287 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.481 9.650 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.713 11.221 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.452 12.040 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.165 10.443 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.383 11.833 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.681 10.527 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.991 12.074 -4.445 1.00 0.00 H new ATOM 861 N THR A 54 -0.058 9.792 -6.746 1.00 0.00 N ATOM 862 CA THR A 54 1.072 8.930 -7.069 1.00 0.00 C ATOM 863 C THR A 54 0.608 7.648 -7.751 1.00 0.00 C ATOM 864 O THR A 54 -0.256 6.937 -7.235 1.00 0.00 O ATOM 865 CB THR A 54 1.879 8.566 -5.809 1.00 0.00 C ATOM 866 OG1 THR A 54 0.996 8.378 -4.698 1.00 0.00 O ATOM 867 CG2 THR A 54 2.891 9.653 -5.481 1.00 0.00 C ATOM 0 H THR A 54 -0.582 9.508 -5.918 1.00 0.00 H new ATOM 0 HA THR A 54 1.712 9.490 -7.751 1.00 0.00 H new ATOM 0 HB THR A 54 2.417 7.639 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.517 8.145 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.449 9.373 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.581 9.772 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.370 10.594 -5.304 1.00 0.00 H new ATOM 875 N TYR A 55 1.186 7.357 -8.910 1.00 0.00 N ATOM 876 CA TYR A 55 0.830 6.160 -9.663 1.00 0.00 C ATOM 877 C TYR A 55 2.078 5.392 -10.087 1.00 0.00 C ATOM 878 O TYR A 55 3.198 5.883 -9.951 1.00 0.00 O ATOM 879 CB TYR A 55 0.005 6.534 -10.896 1.00 0.00 C ATOM 880 CG TYR A 55 0.794 7.279 -11.949 1.00 0.00 C ATOM 881 CD1 TYR A 55 0.900 8.664 -11.915 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.433 6.598 -12.977 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.619 9.349 -12.875 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.155 7.275 -13.941 1.00 0.00 C ATOM 885 CZ TYR A 55 2.244 8.650 -13.886 1.00 0.00 C ATOM 886 OH TYR A 55 2.962 9.329 -14.844 1.00 0.00 O ATOM 0 H TYR A 55 1.904 7.934 -9.349 1.00 0.00 H new ATOM 0 HA TYR A 55 0.233 5.518 -9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.406 5.626 -11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.840 7.148 -10.585 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.412 9.214 -11.124 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.364 5.521 -13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.691 10.426 -12.834 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.647 6.730 -14.733 1.00 0.00 H new ATOM 0 HH TYR A 55 3.340 8.690 -15.483 1.00 0.00 H new ATOM 896 N GLU A 56 1.875 4.183 -10.601 1.00 0.00 N ATOM 897 CA GLU A 56 2.983 3.345 -11.044 1.00 0.00 C ATOM 898 C GLU A 56 2.918 3.109 -12.550 1.00 0.00 C ATOM 899 O GLU A 56 1.835 3.040 -13.132 1.00 0.00 O ATOM 900 CB GLU A 56 2.967 2.006 -10.305 1.00 0.00 C ATOM 901 CG GLU A 56 3.607 2.063 -8.928 1.00 0.00 C ATOM 902 CD GLU A 56 3.125 0.953 -8.015 1.00 0.00 C ATOM 903 OE1 GLU A 56 2.374 0.076 -8.492 1.00 0.00 O ATOM 904 OE2 GLU A 56 3.498 0.961 -6.823 1.00 0.00 O ATOM 0 H GLU A 56 0.954 3.762 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 56 3.913 3.866 -10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.935 1.669 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.487 1.262 -10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.690 1.998 -9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.388 3.027 -8.469 1.00 0.00 H new ATOM 911 N ARG A 57 4.084 2.986 -13.176 1.00 0.00 N ATOM 912 CA ARG A 57 4.160 2.759 -14.614 1.00 0.00 C ATOM 913 C ARG A 57 5.355 1.876 -14.962 1.00 0.00 C ATOM 914 O ARG A 57 6.443 2.045 -14.413 1.00 0.00 O ATOM 915 CB ARG A 57 4.262 4.092 -15.357 1.00 0.00 C ATOM 916 CG ARG A 57 5.527 4.872 -15.038 1.00 0.00 C ATOM 917 CD ARG A 57 5.601 6.164 -15.836 1.00 0.00 C ATOM 918 NE ARG A 57 5.853 5.918 -17.253 1.00 0.00 N ATOM 919 CZ ARG A 57 6.295 6.848 -18.093 1.00 0.00 C ATOM 920 NH1 ARG A 57 6.531 8.078 -17.661 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.501 6.547 -19.369 1.00 0.00 N ATOM 0 H ARG A 57 4.989 3.040 -12.709 1.00 0.00 H new ATOM 0 HA ARG A 57 3.250 2.247 -14.925 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.222 3.904 -16.430 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.395 4.704 -15.108 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.557 5.099 -13.972 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.400 4.257 -15.257 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.666 6.713 -15.724 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.392 6.795 -15.431 1.00 0.00 H new ATOM 0 HE ARG A 57 5.680 4.981 -17.618 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.373 8.313 -16.681 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.870 8.790 -18.308 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.320 5.601 -19.706 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.840 7.261 -20.013 1.00 0.00 H new ATOM 935 N GLN A 58 5.143 0.937 -15.878 1.00 0.00 N ATOM 936 CA GLN A 58 6.203 0.028 -16.298 1.00 0.00 C ATOM 937 C GLN A 58 6.903 0.549 -17.549 1.00 0.00 C ATOM 938 O GLN A 58 6.257 1.022 -18.483 1.00 0.00 O ATOM 939 CB GLN A 58 5.632 -1.367 -16.564 1.00 0.00 C ATOM 940 CG GLN A 58 5.164 -2.082 -15.307 1.00 0.00 C ATOM 941 CD GLN A 58 4.388 -3.348 -15.610 1.00 0.00 C ATOM 942 OE1 GLN A 58 3.161 -3.376 -15.513 1.00 0.00 O ATOM 943 NE2 GLN A 58 5.101 -4.405 -15.981 1.00 0.00 N ATOM 0 H GLN A 58 4.248 0.786 -16.343 1.00 0.00 H new ATOM 0 HA GLN A 58 6.935 -0.033 -15.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.795 -1.282 -17.257 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.392 -1.974 -17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.029 -2.329 -14.691 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.538 -1.408 -14.722 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.117 -4.337 -16.048 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.633 -5.285 -16.199 1.00 0.00 H new ATOM 952 N GLY A 59 8.230 0.461 -17.558 1.00 0.00 N ATOM 953 CA GLY A 59 8.996 0.928 -18.698 1.00 0.00 C ATOM 954 C GLY A 59 10.159 0.014 -19.029 1.00 0.00 C ATOM 955 O GLY A 59 10.395 -0.978 -18.339 1.00 0.00 O ATOM 0 H GLY A 59 8.787 0.075 -16.796 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.340 1.005 -19.565 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.372 1.930 -18.493 1.00 0.00 H new ATOM 959 N PHE A 60 10.888 0.347 -20.090 1.00 0.00 N ATOM 960 CA PHE A 60 12.032 -0.453 -20.513 1.00 0.00 C ATOM 961 C PHE A 60 13.343 0.243 -20.160 1.00 0.00 C ATOM 962 O PHE A 60 13.422 1.471 -20.145 1.00 0.00 O ATOM 963 CB PHE A 60 11.969 -0.714 -22.019 1.00 0.00 C ATOM 964 CG PHE A 60 10.859 -1.644 -22.421 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.961 -3.006 -22.189 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.715 -1.155 -23.030 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.941 -3.863 -22.558 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.692 -2.007 -23.401 1.00 0.00 C ATOM 969 CZ PHE A 60 8.805 -3.363 -23.164 1.00 0.00 C ATOM 0 H PHE A 60 10.707 1.165 -20.672 1.00 0.00 H new ATOM 0 HA PHE A 60 11.993 -1.405 -19.984 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.843 0.236 -22.539 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.920 -1.133 -22.347 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.847 -3.402 -21.715 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.621 -0.095 -23.217 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.032 -4.923 -22.373 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.805 -1.613 -23.876 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.007 -4.031 -23.452 1.00 0.00 H new ATOM 979 N VAL A 61 14.370 -0.551 -19.877 1.00 0.00 N ATOM 980 CA VAL A 61 15.678 -0.013 -19.524 1.00 0.00 C ATOM 981 C VAL A 61 16.798 -0.918 -20.025 1.00 0.00 C ATOM 982 O VAL A 61 16.633 -2.129 -20.173 1.00 0.00 O ATOM 983 CB VAL A 61 15.820 0.166 -18.001 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.739 1.094 -17.469 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.768 -1.183 -17.300 1.00 0.00 C ATOM 0 H VAL A 61 14.322 -1.570 -19.885 1.00 0.00 H new ATOM 0 HA VAL A 61 15.759 0.962 -20.005 1.00 0.00 H new ATOM 0 HB VAL A 61 16.789 0.621 -17.795 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.856 1.208 -16.391 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.828 2.069 -17.949 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.758 0.671 -17.685 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.870 -1.038 -16.224 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.815 -1.667 -17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.582 -1.812 -17.660 1.00 0.00 H new ATOM 995 N PRO A 62 17.968 -0.319 -20.293 1.00 0.00 N ATOM 996 CA PRO A 62 19.140 -1.052 -20.781 1.00 0.00 C ATOM 997 C PRO A 62 19.739 -1.963 -19.715 1.00 0.00 C ATOM 998 O PRO A 62 20.266 -1.491 -18.708 1.00 0.00 O ATOM 999 CB PRO A 62 20.125 0.059 -21.151 1.00 0.00 C ATOM 1000 CG PRO A 62 19.729 1.216 -20.299 1.00 0.00 C ATOM 1001 CD PRO A 62 18.237 1.121 -20.141 1.00 0.00 C ATOM 0 HA PRO A 62 18.891 -1.713 -21.611 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.154 -0.243 -20.955 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.062 0.308 -22.210 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.227 1.176 -19.330 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.013 2.159 -20.765 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.912 1.490 -19.168 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.715 1.709 -20.896 1.00 0.00 H new ATOM 1009 N ALA A 63 19.654 -3.269 -19.943 1.00 0.00 N ATOM 1010 CA ALA A 63 20.191 -4.245 -19.003 1.00 0.00 C ATOM 1011 C ALA A 63 21.701 -4.095 -18.858 1.00 0.00 C ATOM 1012 O ALA A 63 22.302 -4.634 -17.929 1.00 0.00 O ATOM 1013 CB ALA A 63 19.839 -5.657 -19.450 1.00 0.00 C ATOM 0 H ALA A 63 19.218 -3.676 -20.771 1.00 0.00 H new ATOM 0 HA ALA A 63 19.739 -4.061 -18.028 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.246 -6.376 -18.739 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.755 -5.765 -19.495 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.263 -5.843 -20.437 1.00 0.00 H new ATOM 1019 N ALA A 64 22.310 -3.359 -19.782 1.00 0.00 N ATOM 1020 CA ALA A 64 23.750 -3.137 -19.756 1.00 0.00 C ATOM 1021 C ALA A 64 24.126 -2.096 -18.707 1.00 0.00 C ATOM 1022 O ALA A 64 25.261 -2.061 -18.232 1.00 0.00 O ATOM 1023 CB ALA A 64 24.243 -2.708 -21.130 1.00 0.00 C ATOM 0 H ALA A 64 21.828 -2.906 -20.558 1.00 0.00 H new ATOM 0 HA ALA A 64 24.233 -4.076 -19.487 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.320 -2.546 -21.096 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.016 -3.487 -21.858 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.746 -1.783 -21.422 1.00 0.00 H new ATOM 1029 N TYR A 65 23.166 -1.249 -18.351 1.00 0.00 N ATOM 1030 CA TYR A 65 23.398 -0.204 -17.361 1.00 0.00 C ATOM 1031 C TYR A 65 22.802 -0.592 -16.011 1.00 0.00 C ATOM 1032 O TYR A 65 23.249 -0.123 -14.964 1.00 0.00 O ATOM 1033 CB TYR A 65 22.797 1.120 -17.835 1.00 0.00 C ATOM 1034 CG TYR A 65 23.373 1.612 -19.143 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.639 1.219 -19.559 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.650 2.469 -19.964 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.169 1.668 -20.753 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.172 2.921 -21.161 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.432 2.518 -21.551 1.00 0.00 C ATOM 1040 OH TYR A 65 24.957 2.966 -22.742 1.00 0.00 O ATOM 0 H TYR A 65 22.220 -1.266 -18.733 1.00 0.00 H new ATOM 0 HA TYR A 65 24.475 -0.084 -17.242 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.719 1.002 -17.944 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.959 1.878 -17.068 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.218 0.551 -18.939 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.663 2.787 -19.661 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.156 1.355 -21.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.596 3.586 -21.788 1.00 0.00 H new ATOM 0 HH TYR A 65 24.310 3.555 -23.183 1.00 0.00 H new ATOM 1050 N VAL A 66 21.789 -1.452 -16.043 1.00 0.00 N ATOM 1051 CA VAL A 66 21.131 -1.905 -14.824 1.00 0.00 C ATOM 1052 C VAL A 66 21.409 -3.382 -14.566 1.00 0.00 C ATOM 1053 O VAL A 66 21.413 -4.195 -15.490 1.00 0.00 O ATOM 1054 CB VAL A 66 19.609 -1.685 -14.892 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.294 -0.243 -15.262 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.975 -2.649 -15.883 1.00 0.00 C ATOM 0 H VAL A 66 21.406 -1.849 -16.901 1.00 0.00 H new ATOM 0 HA VAL A 66 21.539 -1.313 -14.005 1.00 0.00 H new ATOM 0 HB VAL A 66 19.186 -1.883 -13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.213 -0.106 -15.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.715 0.426 -14.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.728 -0.014 -16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.899 -2.479 -15.918 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.401 -2.485 -16.873 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.170 -3.674 -15.569 1.00 0.00 H new ATOM 1066 N LYS A 67 21.641 -3.723 -13.302 1.00 0.00 N ATOM 1067 CA LYS A 67 21.918 -5.102 -12.920 1.00 0.00 C ATOM 1068 C LYS A 67 21.065 -5.518 -11.726 1.00 0.00 C ATOM 1069 O LYS A 67 20.767 -4.706 -10.850 1.00 0.00 O ATOM 1070 CB LYS A 67 23.402 -5.272 -12.584 1.00 0.00 C ATOM 1071 CG LYS A 67 23.758 -4.844 -11.171 1.00 0.00 C ATOM 1072 CD LYS A 67 25.263 -4.786 -10.969 1.00 0.00 C ATOM 1073 CE LYS A 67 25.619 -4.390 -9.544 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.187 -5.419 -8.558 1.00 0.00 N ATOM 0 H LYS A 67 21.642 -3.062 -12.525 1.00 0.00 H new ATOM 0 HA LYS A 67 21.667 -5.744 -13.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.679 -6.318 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.995 -4.692 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.324 -3.865 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.321 -5.542 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.700 -5.758 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.697 -4.070 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.696 -4.242 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.148 -3.437 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.606 -5.208 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.150 -5.411 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.503 -6.358 -8.875 1.00 0.00 H new ATOM 1088 N LYS A 68 20.676 -6.788 -11.696 1.00 0.00 N ATOM 1089 CA LYS A 68 19.860 -7.313 -10.608 1.00 0.00 C ATOM 1090 C LYS A 68 20.536 -7.084 -9.261 1.00 0.00 C ATOM 1091 O LYS A 68 21.748 -6.872 -9.191 1.00 0.00 O ATOM 1092 CB LYS A 68 19.601 -8.808 -10.813 1.00 0.00 C ATOM 1093 CG LYS A 68 20.789 -9.685 -10.461 1.00 0.00 C ATOM 1094 CD LYS A 68 20.820 -10.947 -11.307 1.00 0.00 C ATOM 1095 CE LYS A 68 21.418 -10.684 -12.680 1.00 0.00 C ATOM 1096 NZ LYS A 68 20.946 -11.672 -13.689 1.00 0.00 N ATOM 0 H LYS A 68 20.913 -7.473 -12.413 1.00 0.00 H new ATOM 0 HA LYS A 68 18.909 -6.781 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.747 -9.107 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.328 -8.981 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 68 21.712 -9.125 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.744 -9.954 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 68 21.402 -11.714 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.808 -11.336 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 68 21.153 -9.678 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 68 22.505 -10.722 -12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.376 -11.459 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.221 -12.630 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.910 -11.619 -13.769 1.00 0.00 H new ATOM 1110 N LEU A 69 19.748 -7.129 -8.193 1.00 0.00 N ATOM 1111 CA LEU A 69 20.271 -6.928 -6.846 1.00 0.00 C ATOM 1112 C LEU A 69 19.942 -8.118 -5.950 1.00 0.00 C ATOM 1113 O LEU A 69 19.268 -7.973 -4.931 1.00 0.00 O ATOM 1114 CB LEU A 69 19.697 -5.646 -6.241 1.00 0.00 C ATOM 1115 CG LEU A 69 20.052 -4.345 -6.962 1.00 0.00 C ATOM 1116 CD1 LEU A 69 19.135 -3.219 -6.514 1.00 0.00 C ATOM 1117 CD2 LEU A 69 21.509 -3.980 -6.715 1.00 0.00 C ATOM 0 H LEU A 69 18.744 -7.303 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 69 21.355 -6.837 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.611 -5.737 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.039 -5.571 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 69 19.912 -4.495 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.403 -2.301 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.101 -3.479 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.242 -3.068 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.745 -3.052 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 69 21.675 -3.849 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 69 22.152 -4.778 -7.087 1.00 0.00 H new ATOM 1129 N ASP A 70 20.425 -9.294 -6.337 1.00 0.00 N ATOM 1130 CA ASP A 70 20.185 -10.510 -5.568 1.00 0.00 C ATOM 1131 C ASP A 70 21.336 -10.777 -4.603 1.00 0.00 C ATOM 1132 O ASP A 70 21.229 -11.623 -3.714 1.00 0.00 O ATOM 1133 CB ASP A 70 20.001 -11.704 -6.505 1.00 0.00 C ATOM 1134 CG ASP A 70 21.317 -12.214 -7.058 1.00 0.00 C ATOM 1135 OD1 ASP A 70 21.896 -11.535 -7.932 1.00 0.00 O ATOM 1136 OD2 ASP A 70 21.768 -13.293 -6.618 1.00 0.00 O ATOM 0 H ASP A 70 20.985 -9.431 -7.179 1.00 0.00 H new ATOM 0 HA ASP A 70 19.273 -10.370 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 70 19.499 -12.509 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 19.350 -11.417 -7.331 1.00 0.00 H new TER 1141 ASP A 70