USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0207) USER MOD Single : A 25 THR OG1 : rot 61:sc= 0.597 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.0562 (180deg=-0.452) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.153) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 48 ASN :FLIP amide:sc= -11! C(o=-12!,f=-11!) USER MOD Single : A 49 ASN :FLIP amide:sc= -1.5 F(o=-12!,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 125:sc= 0.884 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.15) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -7:sc= 0.0266 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -0.144 18.789 -4.655 1.00 0.00 N ATOM 2 CA LYS A 21 -0.806 17.475 -4.916 1.00 0.00 C ATOM 3 C LYS A 21 -0.978 17.368 -6.420 1.00 0.00 C ATOM 4 O LYS A 21 -0.914 16.317 -7.014 1.00 0.00 O ATOM 5 CB LYS A 21 -2.183 17.417 -4.202 1.00 0.00 C ATOM 6 CG LYS A 21 -2.137 16.474 -2.971 1.00 0.00 C ATOM 7 CD LYS A 21 -2.529 15.039 -3.377 1.00 0.00 C ATOM 8 CE LYS A 21 -4.055 14.882 -3.361 1.00 0.00 C ATOM 9 NZ LYS A 21 -4.517 14.680 -1.959 1.00 0.00 N ATOM 0 HA LYS A 21 -0.208 16.648 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.474 18.419 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.944 17.070 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.135 16.476 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.816 16.839 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.144 14.817 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.075 14.323 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.527 15.767 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.351 14.034 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.477 15.066 -1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.526 13.663 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.871 15.169 -1.307 1.00 0.00 H new ATOM 23 N LEU A 22 -1.180 18.485 -7.003 1.00 0.00 N ATOM 24 CA LEU A 22 -1.365 18.607 -8.464 1.00 0.00 C ATOM 25 C LEU A 22 -0.346 17.758 -9.249 1.00 0.00 C ATOM 26 O LEU A 22 -0.711 16.848 -9.956 1.00 0.00 O ATOM 27 CB LEU A 22 -1.140 20.090 -8.744 1.00 0.00 C ATOM 28 CG LEU A 22 -0.822 20.367 -10.218 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.927 19.795 -11.113 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.739 21.879 -10.434 1.00 0.00 C ATOM 0 H LEU A 22 -1.229 19.375 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.347 18.251 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.030 20.650 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.320 20.453 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 22 0.127 19.895 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.691 19.998 -12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.999 18.718 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.879 20.262 -10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.513 22.085 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.693 22.337 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.048 22.294 -9.804 1.00 0.00 H new ATOM 42 N LEU A 23 0.922 18.059 -9.145 1.00 0.00 N ATOM 43 CA LEU A 23 1.943 17.286 -9.910 1.00 0.00 C ATOM 44 C LEU A 23 2.307 16.077 -9.095 1.00 0.00 C ATOM 45 O LEU A 23 2.516 14.994 -9.600 1.00 0.00 O ATOM 46 CB LEU A 23 3.159 18.186 -10.139 1.00 0.00 C ATOM 47 CG LEU A 23 4.291 17.425 -10.837 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.844 16.979 -12.236 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.505 18.352 -10.966 1.00 0.00 C ATOM 0 H LEU A 23 1.295 18.808 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 23 1.565 16.963 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.869 19.046 -10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.513 18.573 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 23 4.550 16.544 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.656 16.439 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.975 16.326 -12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.582 17.854 -12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.317 17.821 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.233 19.228 -11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.829 18.667 -9.974 1.00 0.00 H new ATOM 61 N ILE A 24 2.343 16.259 -7.826 1.00 0.00 N ATOM 62 CA ILE A 24 2.649 15.142 -6.921 1.00 0.00 C ATOM 63 C ILE A 24 1.612 14.052 -7.210 1.00 0.00 C ATOM 64 O ILE A 24 1.777 12.902 -6.859 1.00 0.00 O ATOM 65 CB ILE A 24 2.548 15.646 -5.460 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.580 17.199 -5.448 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.714 15.088 -4.628 1.00 0.00 C ATOM 68 CD1 ILE A 24 2.898 17.720 -4.042 1.00 0.00 C ATOM 0 H ILE A 24 2.170 17.152 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 24 3.654 14.747 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 24 1.611 15.301 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.329 17.558 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.618 17.591 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.634 15.448 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.677 13.999 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.659 15.421 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.916 18.810 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.133 17.377 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.871 17.344 -3.726 1.00 0.00 H new ATOM 80 N THR A 25 0.541 14.431 -7.869 1.00 0.00 N ATOM 81 CA THR A 25 -0.530 13.446 -8.218 1.00 0.00 C ATOM 82 C THR A 25 -0.324 12.951 -9.658 1.00 0.00 C ATOM 83 O THR A 25 -0.417 11.771 -9.930 1.00 0.00 O ATOM 84 CB THR A 25 -1.902 14.120 -8.104 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.187 14.376 -6.735 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.985 13.204 -8.682 1.00 0.00 C ATOM 0 H THR A 25 0.364 15.386 -8.181 1.00 0.00 H new ATOM 0 HA THR A 25 -0.481 12.600 -7.532 1.00 0.00 H new ATOM 0 HB THR A 25 -1.888 15.056 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.512 14.985 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.957 13.691 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.770 13.004 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.000 12.265 -8.129 1.00 0.00 H new ATOM 94 N ILE A 26 -0.041 13.834 -10.587 1.00 0.00 N ATOM 95 CA ILE A 26 0.166 13.373 -11.995 1.00 0.00 C ATOM 96 C ILE A 26 1.405 12.512 -12.017 1.00 0.00 C ATOM 97 O ILE A 26 1.434 11.401 -12.504 1.00 0.00 O ATOM 98 CB ILE A 26 0.395 14.600 -12.920 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.953 15.138 -13.446 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.266 14.214 -14.136 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.699 15.895 -12.351 1.00 0.00 C ATOM 0 H ILE A 26 0.054 14.838 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.706 12.819 -12.343 1.00 0.00 H new ATOM 0 HB ILE A 26 0.901 15.365 -12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.780 15.797 -14.297 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.565 14.310 -13.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.413 15.088 -14.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.233 13.850 -13.790 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.767 13.431 -14.707 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.646 16.265 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.891 15.226 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.093 16.736 -12.013 1.00 0.00 H new ATOM 113 N HIS A 27 2.421 13.074 -11.508 1.00 0.00 N ATOM 114 CA HIS A 27 3.731 12.414 -11.466 1.00 0.00 C ATOM 115 C HIS A 27 3.645 11.122 -10.640 1.00 0.00 C ATOM 116 O HIS A 27 4.547 10.308 -10.654 1.00 0.00 O ATOM 117 CB HIS A 27 4.704 13.425 -10.847 1.00 0.00 C ATOM 118 CG HIS A 27 6.038 13.360 -11.526 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.144 12.737 -10.972 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.443 13.851 -12.736 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.159 12.871 -11.847 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.785 13.543 -12.942 1.00 0.00 N ATOM 0 H HIS A 27 2.408 14.008 -11.097 1.00 0.00 H new ATOM 0 HA HIS A 27 4.073 12.123 -12.459 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.295 14.431 -10.934 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.822 13.220 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.817 14.395 -13.427 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.154 12.483 -11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.359 13.778 -13.752 1.00 0.00 H new ATOM 130 N ASP A 28 2.560 10.930 -9.926 1.00 0.00 N ATOM 131 CA ASP A 28 2.399 9.691 -9.096 1.00 0.00 C ATOM 132 C ASP A 28 1.336 8.781 -9.720 1.00 0.00 C ATOM 133 O ASP A 28 1.243 7.614 -9.391 1.00 0.00 O ATOM 134 CB ASP A 28 1.957 10.082 -7.684 1.00 0.00 C ATOM 135 CG ASP A 28 3.146 10.673 -6.922 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.197 10.814 -7.524 1.00 0.00 O ATOM 137 OD2 ASP A 28 2.984 10.974 -5.751 1.00 0.00 O ATOM 0 H ASP A 28 1.776 11.581 -9.882 1.00 0.00 H new ATOM 0 HA ASP A 28 3.351 9.161 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.146 10.808 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.571 9.209 -7.157 1.00 0.00 H new ATOM 142 N ARG A 29 0.528 9.291 -10.613 1.00 0.00 N ATOM 143 CA ARG A 29 -0.518 8.426 -11.230 1.00 0.00 C ATOM 144 C ARG A 29 0.159 7.269 -11.970 1.00 0.00 C ATOM 145 O ARG A 29 -0.465 6.283 -12.311 1.00 0.00 O ATOM 146 CB ARG A 29 -1.403 9.254 -12.189 1.00 0.00 C ATOM 147 CG ARG A 29 -0.775 9.347 -13.588 1.00 0.00 C ATOM 148 CD ARG A 29 -1.534 10.382 -14.422 1.00 0.00 C ATOM 149 NE ARG A 29 -0.892 10.510 -15.760 1.00 0.00 N ATOM 150 CZ ARG A 29 -1.528 11.101 -16.734 1.00 0.00 C ATOM 151 NH1 ARG A 29 -2.723 11.585 -16.535 1.00 0.00 N ATOM 152 NH2 ARG A 29 -0.966 11.210 -17.907 1.00 0.00 N ATOM 0 H ARG A 29 0.547 10.258 -10.938 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.163 8.019 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.390 8.798 -12.261 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.543 10.256 -11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.275 9.628 -13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.808 8.374 -14.078 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.576 10.081 -14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.534 11.346 -13.913 1.00 0.00 H new ATOM 0 HE ARG A 29 0.044 10.136 -15.915 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.161 11.502 -15.617 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.220 12.047 -17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.031 10.833 -18.061 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.462 11.672 -18.669 1.00 0.00 H new ATOM 166 N LYS A 30 1.434 7.385 -12.220 1.00 0.00 N ATOM 167 CA LYS A 30 2.156 6.297 -12.935 1.00 0.00 C ATOM 168 C LYS A 30 1.873 4.970 -12.233 1.00 0.00 C ATOM 169 O LYS A 30 1.496 3.995 -12.853 1.00 0.00 O ATOM 170 CB LYS A 30 3.659 6.579 -12.912 1.00 0.00 C ATOM 171 CG LYS A 30 4.366 5.666 -13.917 1.00 0.00 C ATOM 172 CD LYS A 30 5.881 5.833 -13.782 1.00 0.00 C ATOM 173 CE LYS A 30 6.576 5.183 -14.979 1.00 0.00 C ATOM 174 NZ LYS A 30 6.329 5.999 -16.201 1.00 0.00 N ATOM 0 H LYS A 30 2.007 8.188 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 30 1.817 6.247 -13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.847 7.624 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.056 6.411 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.087 4.627 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.051 5.912 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.137 6.891 -13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.227 5.375 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.647 5.104 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.202 4.170 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.085 5.824 -16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.412 5.736 -16.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.318 7.008 -15.948 1.00 0.00 H new ATOM 188 N GLU A 31 2.044 4.932 -10.942 1.00 0.00 N ATOM 189 CA GLU A 31 1.775 3.676 -10.192 1.00 0.00 C ATOM 190 C GLU A 31 0.270 3.550 -9.957 1.00 0.00 C ATOM 191 O GLU A 31 -0.300 2.483 -10.071 1.00 0.00 O ATOM 192 CB GLU A 31 2.501 3.722 -8.847 1.00 0.00 C ATOM 193 CG GLU A 31 3.938 4.206 -9.055 1.00 0.00 C ATOM 194 CD GLU A 31 4.628 3.332 -10.104 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.967 2.206 -9.778 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.806 3.804 -11.215 1.00 0.00 O ATOM 0 H GLU A 31 2.359 5.718 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 31 2.131 2.819 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.977 4.389 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.502 2.733 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.938 5.247 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.486 4.163 -8.114 1.00 0.00 H new ATOM 203 N PHE A 32 -0.380 4.635 -9.632 1.00 0.00 N ATOM 204 CA PHE A 32 -1.848 4.577 -9.397 1.00 0.00 C ATOM 205 C PHE A 32 -2.523 4.068 -10.663 1.00 0.00 C ATOM 206 O PHE A 32 -3.402 3.230 -10.634 1.00 0.00 O ATOM 207 CB PHE A 32 -2.367 5.986 -9.034 1.00 0.00 C ATOM 208 CG PHE A 32 -3.453 5.896 -7.980 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.789 5.738 -8.364 1.00 0.00 C ATOM 210 CD2 PHE A 32 -3.118 5.970 -6.622 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.792 5.655 -7.391 1.00 0.00 C ATOM 212 CE2 PHE A 32 -4.121 5.886 -5.650 1.00 0.00 C ATOM 213 CZ PHE A 32 -5.459 5.729 -6.034 1.00 0.00 C ATOM 0 H PHE A 32 0.043 5.556 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.075 3.902 -8.571 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.545 6.599 -8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.757 6.477 -9.925 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.047 5.680 -9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.087 6.092 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.823 5.534 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.863 5.942 -4.603 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.233 5.665 -5.283 1.00 0.00 H new ATOM 223 N ALA A 33 -2.096 4.572 -11.769 1.00 0.00 N ATOM 224 CA ALA A 33 -2.673 4.138 -13.069 1.00 0.00 C ATOM 225 C ALA A 33 -2.250 2.696 -13.344 1.00 0.00 C ATOM 226 O ALA A 33 -2.876 1.993 -14.105 1.00 0.00 O ATOM 227 CB ALA A 33 -2.160 5.047 -14.189 1.00 0.00 C ATOM 0 H ALA A 33 -1.362 5.277 -11.838 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.760 4.201 -13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.584 4.727 -15.141 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.457 6.076 -13.987 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.073 4.986 -14.238 1.00 0.00 H new ATOM 233 N LYS A 34 -1.189 2.249 -12.729 1.00 0.00 N ATOM 234 CA LYS A 34 -0.735 0.845 -12.952 1.00 0.00 C ATOM 235 C LYS A 34 -1.486 -0.089 -12.002 1.00 0.00 C ATOM 236 O LYS A 34 -2.201 -0.976 -12.424 1.00 0.00 O ATOM 237 CB LYS A 34 0.769 0.746 -12.687 1.00 0.00 C ATOM 238 CG LYS A 34 1.294 -0.590 -13.215 1.00 0.00 C ATOM 239 CD LYS A 34 2.777 -0.731 -12.867 1.00 0.00 C ATOM 240 CE LYS A 34 3.361 -1.942 -13.596 1.00 0.00 C ATOM 241 NZ LYS A 34 2.748 -3.189 -13.058 1.00 0.00 N ATOM 0 H LYS A 34 -0.617 2.793 -12.083 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.940 0.555 -13.983 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.290 1.571 -13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.967 0.830 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.728 -1.413 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.156 -0.645 -14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.316 0.173 -13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.899 -0.848 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.170 -1.863 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.443 -1.971 -13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.260 -4.015 -13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.804 -3.183 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.751 -3.240 -13.351 1.00 0.00 H new ATOM 255 N PHE A 35 -1.327 0.101 -10.721 1.00 0.00 N ATOM 256 CA PHE A 35 -2.029 -0.777 -9.742 1.00 0.00 C ATOM 257 C PHE A 35 -3.519 -0.807 -10.062 1.00 0.00 C ATOM 258 O PHE A 35 -4.259 -1.621 -9.557 1.00 0.00 O ATOM 259 CB PHE A 35 -1.810 -0.239 -8.323 1.00 0.00 C ATOM 260 CG PHE A 35 -2.131 -1.313 -7.309 1.00 0.00 C ATOM 261 CD1 PHE A 35 -3.455 -1.520 -6.902 1.00 0.00 C ATOM 262 CD2 PHE A 35 -1.104 -2.101 -6.777 1.00 0.00 C ATOM 263 CE1 PHE A 35 -3.750 -2.514 -5.962 1.00 0.00 C ATOM 264 CE2 PHE A 35 -1.399 -3.095 -5.837 1.00 0.00 C ATOM 265 CZ PHE A 35 -2.722 -3.302 -5.429 1.00 0.00 C ATOM 0 H PHE A 35 -0.741 0.827 -10.309 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.629 -1.789 -9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.777 0.088 -8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.442 0.633 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.248 -0.913 -7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.083 -1.942 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.771 -2.674 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.606 -3.702 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.950 -4.069 -4.704 1.00 0.00 H new ATOM 275 N GLU A 36 -3.961 0.070 -10.904 1.00 0.00 N ATOM 276 CA GLU A 36 -5.402 0.092 -11.266 1.00 0.00 C ATOM 277 C GLU A 36 -5.840 -1.303 -11.707 1.00 0.00 C ATOM 278 O GLU A 36 -6.892 -1.788 -11.351 1.00 0.00 O ATOM 279 CB GLU A 36 -5.623 1.136 -12.370 1.00 0.00 C ATOM 280 CG GLU A 36 -5.252 0.552 -13.719 1.00 0.00 C ATOM 281 CD GLU A 36 -5.351 1.634 -14.797 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.717 2.747 -14.460 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.060 1.329 -15.943 1.00 0.00 O ATOM 0 H GLU A 36 -3.387 0.778 -11.362 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.009 0.372 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.665 1.455 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.020 2.022 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.239 0.151 -13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.916 -0.278 -13.961 1.00 0.00 H new ATOM 290 N GLU A 37 -5.029 -1.929 -12.487 1.00 0.00 N ATOM 291 CA GLU A 37 -5.347 -3.295 -13.001 1.00 0.00 C ATOM 292 C GLU A 37 -5.704 -4.241 -11.852 1.00 0.00 C ATOM 293 O GLU A 37 -6.541 -5.112 -11.990 1.00 0.00 O ATOM 294 CB GLU A 37 -4.121 -3.849 -13.727 1.00 0.00 C ATOM 295 CG GLU A 37 -4.504 -5.127 -14.475 1.00 0.00 C ATOM 296 CD GLU A 37 -3.319 -5.601 -15.318 1.00 0.00 C ATOM 297 OE1 GLU A 37 -2.278 -4.968 -15.249 1.00 0.00 O ATOM 298 OE2 GLU A 37 -3.472 -6.588 -16.018 1.00 0.00 O ATOM 0 H GLU A 37 -4.135 -1.553 -12.804 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.199 -3.223 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.734 -3.108 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.326 -4.058 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.793 -5.903 -13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.367 -4.942 -15.114 1.00 0.00 H new ATOM 305 N GLU A 38 -5.062 -4.098 -10.729 1.00 0.00 N ATOM 306 CA GLU A 38 -5.329 -4.989 -9.587 1.00 0.00 C ATOM 307 C GLU A 38 -6.811 -4.974 -9.205 1.00 0.00 C ATOM 308 O GLU A 38 -7.476 -5.992 -9.220 1.00 0.00 O ATOM 309 CB GLU A 38 -4.506 -4.470 -8.426 1.00 0.00 C ATOM 310 CG GLU A 38 -3.018 -4.549 -8.772 1.00 0.00 C ATOM 311 CD GLU A 38 -2.561 -6.008 -8.731 1.00 0.00 C ATOM 312 OE1 GLU A 38 -2.665 -6.612 -7.676 1.00 0.00 O ATOM 313 OE2 GLU A 38 -2.113 -6.497 -9.755 1.00 0.00 O ATOM 0 H GLU A 38 -4.352 -3.386 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.068 -6.015 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.783 -3.440 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.713 -5.056 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.841 -4.129 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.438 -3.955 -8.066 1.00 0.00 H new ATOM 320 N ARG A 39 -7.325 -3.826 -8.852 1.00 0.00 N ATOM 321 CA ARG A 39 -8.761 -3.705 -8.445 1.00 0.00 C ATOM 322 C ARG A 39 -9.536 -2.946 -9.503 1.00 0.00 C ATOM 323 O ARG A 39 -10.628 -2.513 -9.235 1.00 0.00 O ATOM 324 CB ARG A 39 -8.903 -3.002 -7.093 1.00 0.00 C ATOM 325 CG ARG A 39 -7.858 -1.883 -6.967 1.00 0.00 C ATOM 326 CD ARG A 39 -8.453 -0.728 -6.163 1.00 0.00 C ATOM 327 NE ARG A 39 -9.403 -1.258 -5.129 1.00 0.00 N ATOM 328 CZ ARG A 39 -9.744 -0.495 -4.125 1.00 0.00 C ATOM 329 NH1 ARG A 39 -9.253 0.710 -4.030 1.00 0.00 N ATOM 330 NH2 ARG A 39 -10.571 -0.931 -3.216 1.00 0.00 N ATOM 0 H ARG A 39 -6.803 -2.950 -8.827 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.167 -4.712 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.906 -2.586 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.775 -3.722 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.961 -2.260 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.558 -1.537 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.656 -0.162 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.974 -0.041 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.778 -2.203 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.605 1.054 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.517 1.308 -3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.956 -1.873 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.833 -0.330 -2.435 1.00 0.00 H new ATOM 344 N ALA A 40 -8.974 -2.764 -10.679 1.00 0.00 N ATOM 345 CA ALA A 40 -9.660 -2.028 -11.837 1.00 0.00 C ATOM 346 C ALA A 40 -11.191 -2.228 -11.861 1.00 0.00 C ATOM 347 O ALA A 40 -11.860 -1.976 -12.838 1.00 0.00 O ATOM 348 CB ALA A 40 -9.060 -2.502 -13.167 1.00 0.00 C ATOM 0 H ALA A 40 -8.038 -3.100 -10.906 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.482 -0.963 -11.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.546 -1.980 -13.992 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.991 -2.287 -13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.216 -3.575 -13.274 1.00 0.00 H new ATOM 354 N ARG A 41 -11.711 -2.688 -10.800 1.00 0.00 N ATOM 355 CA ARG A 41 -13.129 -2.938 -10.623 1.00 0.00 C ATOM 356 C ARG A 41 -13.753 -1.716 -9.951 1.00 0.00 C ATOM 357 O ARG A 41 -14.946 -1.535 -9.945 1.00 0.00 O ATOM 358 CB ARG A 41 -13.178 -4.106 -9.680 1.00 0.00 C ATOM 359 CG ARG A 41 -12.475 -5.348 -10.322 1.00 0.00 C ATOM 360 CD ARG A 41 -11.533 -6.073 -9.321 1.00 0.00 C ATOM 361 NE ARG A 41 -10.196 -6.322 -9.958 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.096 -6.843 -11.154 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.163 -7.232 -11.796 1.00 0.00 N ATOM 364 NH2 ARG A 41 -8.920 -6.994 -11.698 1.00 0.00 N ATOM 0 H ARG A 41 -11.158 -2.921 -9.975 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.658 -3.130 -11.556 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.688 -3.846 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.214 -4.348 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.231 -6.048 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.901 -5.029 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.409 -5.468 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.978 -7.018 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.347 -6.080 -9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.082 -7.131 -11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.078 -7.637 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.083 -6.706 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.838 -7.400 -12.630 1.00 0.00 H new ATOM 378 N ALA A 42 -12.930 -0.885 -9.365 1.00 0.00 N ATOM 379 CA ALA A 42 -13.450 0.319 -8.645 1.00 0.00 C ATOM 380 C ALA A 42 -14.121 1.281 -9.601 1.00 0.00 C ATOM 381 O ALA A 42 -14.557 2.355 -9.235 1.00 0.00 O ATOM 382 CB ALA A 42 -12.314 1.021 -7.901 1.00 0.00 C ATOM 0 H ALA A 42 -11.915 -0.988 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.196 -0.015 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.705 1.895 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.875 0.335 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.551 1.334 -8.614 1.00 0.00 H new ATOM 388 N LYS A 43 -14.203 0.887 -10.815 1.00 0.00 N ATOM 389 CA LYS A 43 -14.842 1.725 -11.870 1.00 0.00 C ATOM 390 C LYS A 43 -16.140 1.092 -12.285 1.00 0.00 C ATOM 391 O LYS A 43 -17.017 1.742 -12.820 1.00 0.00 O ATOM 392 CB LYS A 43 -13.913 1.860 -13.078 1.00 0.00 C ATOM 393 CG LYS A 43 -13.045 0.584 -13.300 1.00 0.00 C ATOM 394 CD LYS A 43 -11.544 0.951 -13.304 1.00 0.00 C ATOM 395 CE LYS A 43 -11.200 1.691 -14.601 1.00 0.00 C ATOM 396 NZ LYS A 43 -9.906 2.411 -14.432 1.00 0.00 N ATOM 0 H LYS A 43 -13.847 -0.009 -11.148 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.033 2.721 -11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.507 2.053 -13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.260 2.721 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.247 -0.143 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.314 0.113 -14.245 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.310 1.577 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.938 0.049 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.130 0.985 -15.428 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.992 2.397 -14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.671 2.914 -15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.989 3.095 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.154 1.727 -14.213 1.00 0.00 H new ATOM 410 N TRP A 44 -16.284 -0.159 -12.021 1.00 0.00 N ATOM 411 CA TRP A 44 -17.563 -0.836 -12.375 1.00 0.00 C ATOM 412 C TRP A 44 -17.864 -1.920 -11.347 1.00 0.00 C ATOM 413 O TRP A 44 -18.596 -2.856 -11.599 1.00 0.00 O ATOM 414 CB TRP A 44 -17.495 -1.430 -13.776 1.00 0.00 C ATOM 415 CG TRP A 44 -16.169 -2.006 -13.968 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.185 -1.350 -14.542 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.657 -3.315 -13.609 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.057 -2.130 -14.530 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.299 -3.363 -13.968 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.225 -4.445 -13.002 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.517 -4.486 -13.727 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.444 -5.591 -12.766 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.090 -5.607 -13.123 1.00 0.00 C ATOM 0 H TRP A 44 -15.581 -0.751 -11.577 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.366 -0.099 -12.366 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.262 -2.194 -13.902 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.686 -0.660 -14.524 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.254 -0.355 -14.957 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.151 -1.833 -14.893 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.266 -4.435 -12.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.473 -4.492 -14.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.890 -6.461 -12.308 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.490 -6.485 -12.932 1.00 0.00 H new ATOM 434 N ASP A 45 -17.276 -1.804 -10.194 1.00 0.00 N ATOM 435 CA ASP A 45 -17.486 -2.835 -9.134 1.00 0.00 C ATOM 436 C ASP A 45 -16.806 -2.426 -7.844 1.00 0.00 C ATOM 437 O ASP A 45 -17.441 -2.164 -6.847 1.00 0.00 O ATOM 438 CB ASP A 45 -16.880 -4.161 -9.627 1.00 0.00 C ATOM 439 CG ASP A 45 -17.991 -5.131 -10.084 1.00 0.00 C ATOM 440 OD1 ASP A 45 -19.058 -5.109 -9.493 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.749 -5.888 -11.006 1.00 0.00 O ATOM 0 H ASP A 45 -16.655 -1.038 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 45 -18.553 -2.942 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.195 -3.969 -10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.296 -4.619 -8.829 1.00 0.00 H new ATOM 446 N THR A 46 -15.524 -2.440 -7.870 1.00 0.00 N ATOM 447 CA THR A 46 -14.715 -2.129 -6.668 1.00 0.00 C ATOM 448 C THR A 46 -14.679 -3.369 -5.839 1.00 0.00 C ATOM 449 O THR A 46 -13.659 -3.750 -5.342 1.00 0.00 O ATOM 450 CB THR A 46 -15.283 -0.905 -5.891 1.00 0.00 C ATOM 451 OG1 THR A 46 -14.213 -0.009 -5.620 1.00 0.00 O ATOM 452 CG2 THR A 46 -15.933 -1.297 -4.548 1.00 0.00 C ATOM 0 H THR A 46 -14.975 -2.661 -8.701 1.00 0.00 H new ATOM 0 HA THR A 46 -13.702 -1.838 -6.946 1.00 0.00 H new ATOM 0 HB THR A 46 -16.054 -0.451 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.554 0.769 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.311 -0.403 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.757 -1.986 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.191 -1.779 -3.912 1.00 0.00 H new ATOM 460 N ALA A 47 -15.790 -4.009 -5.714 1.00 0.00 N ATOM 461 CA ALA A 47 -15.838 -5.276 -4.921 1.00 0.00 C ATOM 462 C ALA A 47 -15.998 -6.468 -5.837 1.00 0.00 C ATOM 463 O ALA A 47 -15.398 -7.501 -5.616 1.00 0.00 O ATOM 464 CB ALA A 47 -16.996 -5.223 -3.923 1.00 0.00 C ATOM 0 H ALA A 47 -16.678 -3.719 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.900 -5.381 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.024 -6.149 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.854 -4.381 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.936 -5.101 -4.462 1.00 0.00 H new ATOM 470 N ASN A 48 -16.800 -6.336 -6.857 1.00 0.00 N ATOM 471 CA ASN A 48 -17.025 -7.478 -7.813 1.00 0.00 C ATOM 472 C ASN A 48 -17.022 -8.801 -7.037 1.00 0.00 C ATOM 473 O ASN A 48 -18.006 -9.237 -6.473 1.00 0.00 O ATOM 474 CB ASN A 48 -15.885 -7.505 -8.854 1.00 0.00 C ATOM 475 CG ASN A 48 -14.554 -7.173 -8.170 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.709 -8.132 -7.915 1.00 0.00 O flip ATOM 477 ND2 ASN A 48 -14.288 -6.031 -7.854 1.00 0.00 N flip ATOM 0 H ASN A 48 -17.316 -5.484 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.983 -7.347 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.830 -8.488 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.087 -6.785 -9.648 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.949 -5.280 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.404 -5.823 -7.390 1.00 0.00 H new ATOM 484 N ASN A 49 -15.879 -9.397 -7.012 1.00 0.00 N ATOM 485 CA ASN A 49 -15.618 -10.652 -6.315 1.00 0.00 C ATOM 486 C ASN A 49 -14.585 -10.268 -5.244 1.00 0.00 C ATOM 487 O ASN A 49 -13.839 -9.338 -5.478 1.00 0.00 O ATOM 488 CB ASN A 49 -15.004 -11.557 -7.376 1.00 0.00 C ATOM 489 CG ASN A 49 -14.347 -12.760 -6.745 1.00 0.00 C ATOM 490 OD1 ASN A 49 -13.270 -12.574 -6.064 1.00 0.00 O flip ATOM 491 ND2 ASN A 49 -14.815 -13.874 -6.870 1.00 0.00 N flip ATOM 0 H ASN A 49 -15.057 -9.026 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.476 -11.146 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.777 -11.883 -8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.269 -10.998 -7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.669 -14.011 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.354 -14.673 -6.433 1.00 0.00 H new ATOM 498 N PRO A 50 -14.552 -10.919 -4.100 1.00 0.00 N ATOM 499 CA PRO A 50 -13.579 -10.548 -3.046 1.00 0.00 C ATOM 500 C PRO A 50 -12.177 -10.302 -3.614 1.00 0.00 C ATOM 501 O PRO A 50 -11.305 -9.783 -2.952 1.00 0.00 O ATOM 502 CB PRO A 50 -13.633 -11.705 -2.031 1.00 0.00 C ATOM 503 CG PRO A 50 -14.877 -12.574 -2.400 1.00 0.00 C ATOM 504 CD PRO A 50 -15.446 -12.040 -3.741 1.00 0.00 C ATOM 0 HA PRO A 50 -13.830 -9.600 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.720 -12.299 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.717 -11.323 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.596 -13.623 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -15.631 -12.516 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.443 -12.813 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.477 -11.706 -3.630 1.00 0.00 H new ATOM 512 N LEU A 51 -12.007 -10.602 -4.848 1.00 0.00 N ATOM 513 CA LEU A 51 -10.742 -10.347 -5.575 1.00 0.00 C ATOM 514 C LEU A 51 -10.152 -9.012 -5.145 1.00 0.00 C ATOM 515 O LEU A 51 -9.011 -8.876 -4.748 1.00 0.00 O ATOM 516 CB LEU A 51 -11.175 -10.205 -7.025 1.00 0.00 C ATOM 517 CG LEU A 51 -10.010 -10.426 -8.014 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.750 -9.676 -7.565 1.00 0.00 C ATOM 519 CD2 LEU A 51 -9.689 -11.923 -8.138 1.00 0.00 C ATOM 0 H LEU A 51 -12.729 -11.038 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.005 -11.130 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.968 -10.923 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.595 -9.211 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.324 -10.037 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.948 -9.851 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.962 -8.608 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.444 -10.035 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.866 -12.062 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.405 -12.316 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.568 -12.455 -8.501 1.00 0.00 H new ATOM 531 N TYR A 52 -10.979 -8.040 -5.277 1.00 0.00 N ATOM 532 CA TYR A 52 -10.641 -6.647 -4.954 1.00 0.00 C ATOM 533 C TYR A 52 -10.104 -6.653 -3.532 1.00 0.00 C ATOM 534 O TYR A 52 -9.175 -5.953 -3.184 1.00 0.00 O ATOM 535 CB TYR A 52 -11.926 -5.802 -5.105 1.00 0.00 C ATOM 536 CG TYR A 52 -12.319 -5.212 -3.754 1.00 0.00 C ATOM 537 CD1 TYR A 52 -13.003 -6.000 -2.817 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.975 -3.893 -3.436 1.00 0.00 C ATOM 539 CE1 TYR A 52 -13.349 -5.464 -1.571 1.00 0.00 C ATOM 540 CE2 TYR A 52 -12.318 -3.360 -2.188 1.00 0.00 C ATOM 541 CZ TYR A 52 -13.007 -4.145 -1.256 1.00 0.00 C ATOM 542 OH TYR A 52 -13.345 -3.619 -0.026 1.00 0.00 O ATOM 0 H TYR A 52 -11.933 -8.162 -5.616 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.887 -6.216 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.763 -5.002 -5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -12.736 -6.421 -5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -13.263 -7.020 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.444 -3.286 -4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.881 -6.070 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.051 -2.342 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.032 -2.692 0.030 1.00 0.00 H new ATOM 552 N LYS A 53 -10.689 -7.488 -2.726 1.00 0.00 N ATOM 553 CA LYS A 53 -10.238 -7.620 -1.326 1.00 0.00 C ATOM 554 C LYS A 53 -9.013 -8.510 -1.343 1.00 0.00 C ATOM 555 O LYS A 53 -8.188 -8.481 -0.451 1.00 0.00 O ATOM 556 CB LYS A 53 -11.360 -8.246 -0.472 1.00 0.00 C ATOM 557 CG LYS A 53 -11.114 -8.008 1.042 1.00 0.00 C ATOM 558 CD LYS A 53 -10.362 -9.203 1.661 1.00 0.00 C ATOM 559 CE LYS A 53 -11.354 -10.304 2.053 1.00 0.00 C ATOM 560 NZ LYS A 53 -10.624 -11.592 2.223 1.00 0.00 N ATOM 0 H LYS A 53 -11.470 -8.091 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.998 -6.650 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.320 -7.818 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.417 -9.316 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.536 -7.094 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.066 -7.866 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.636 -9.594 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.804 -8.876 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.863 -10.037 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.121 -10.407 1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.296 -12.340 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.158 -11.847 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.908 -11.489 2.970 1.00 0.00 H new ATOM 574 N GLU A 54 -8.868 -9.288 -2.383 1.00 0.00 N ATOM 575 CA GLU A 54 -7.659 -10.172 -2.465 1.00 0.00 C ATOM 576 C GLU A 54 -6.494 -9.362 -3.006 1.00 0.00 C ATOM 577 O GLU A 54 -5.347 -9.594 -2.680 1.00 0.00 O ATOM 578 CB GLU A 54 -7.900 -11.370 -3.386 1.00 0.00 C ATOM 579 CG GLU A 54 -9.101 -12.183 -2.891 1.00 0.00 C ATOM 580 CD GLU A 54 -9.060 -13.586 -3.504 1.00 0.00 C ATOM 581 OE1 GLU A 54 -8.896 -13.680 -4.709 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.195 -14.542 -2.758 1.00 0.00 O ATOM 0 H GLU A 54 -9.518 -9.353 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.442 -10.548 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.080 -11.025 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.011 -12.001 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.084 -12.250 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.030 -11.682 -3.165 1.00 0.00 H new ATOM 589 N ALA A 55 -6.789 -8.411 -3.827 1.00 0.00 N ATOM 590 CA ALA A 55 -5.711 -7.561 -4.404 1.00 0.00 C ATOM 591 C ALA A 55 -5.003 -6.817 -3.271 1.00 0.00 C ATOM 592 O ALA A 55 -3.794 -6.696 -3.257 1.00 0.00 O ATOM 593 CB ALA A 55 -6.320 -6.558 -5.387 1.00 0.00 C ATOM 0 H ALA A 55 -7.734 -8.177 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.992 -8.184 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.530 -5.936 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.826 -7.096 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.038 -5.927 -4.864 1.00 0.00 H new ATOM 599 N THR A 56 -5.741 -6.331 -2.311 1.00 0.00 N ATOM 600 CA THR A 56 -5.105 -5.621 -1.181 1.00 0.00 C ATOM 601 C THR A 56 -4.463 -6.670 -0.287 1.00 0.00 C ATOM 602 O THR A 56 -3.434 -6.457 0.325 1.00 0.00 O ATOM 603 CB THR A 56 -6.185 -4.839 -0.417 1.00 0.00 C ATOM 604 OG1 THR A 56 -7.459 -5.385 -0.726 1.00 0.00 O ATOM 605 CG2 THR A 56 -6.160 -3.357 -0.813 1.00 0.00 C ATOM 0 H THR A 56 -6.758 -6.398 -2.266 1.00 0.00 H new ATOM 0 HA THR A 56 -4.347 -4.916 -1.523 1.00 0.00 H new ATOM 0 HB THR A 56 -5.989 -4.919 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.153 -4.892 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.932 -2.820 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.184 -2.934 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.347 -3.263 -1.883 1.00 0.00 H new ATOM 613 N SER A 57 -5.069 -7.806 -0.237 1.00 0.00 N ATOM 614 CA SER A 57 -4.524 -8.915 0.585 1.00 0.00 C ATOM 615 C SER A 57 -3.150 -9.283 0.032 1.00 0.00 C ATOM 616 O SER A 57 -2.323 -9.854 0.711 1.00 0.00 O ATOM 617 CB SER A 57 -5.457 -10.125 0.508 1.00 0.00 C ATOM 618 OG SER A 57 -5.160 -11.015 1.576 1.00 0.00 O ATOM 0 H SER A 57 -5.932 -8.024 -0.735 1.00 0.00 H new ATOM 0 HA SER A 57 -4.441 -8.608 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.496 -9.802 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.335 -10.633 -0.449 1.00 0.00 H new ATOM 0 HG SER A 57 -5.757 -11.791 1.531 1.00 0.00 H new ATOM 624 N THR A 58 -2.904 -8.947 -1.207 1.00 0.00 N ATOM 625 CA THR A 58 -1.592 -9.259 -1.824 1.00 0.00 C ATOM 626 C THR A 58 -0.494 -8.754 -0.896 1.00 0.00 C ATOM 627 O THR A 58 0.659 -9.121 -1.004 1.00 0.00 O ATOM 628 CB THR A 58 -1.483 -8.553 -3.178 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.664 -8.794 -3.932 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.270 -9.089 -3.940 1.00 0.00 C ATOM 0 H THR A 58 -3.564 -8.466 -1.818 1.00 0.00 H new ATOM 0 HA THR A 58 -1.492 -10.334 -1.975 1.00 0.00 H new ATOM 0 HB THR A 58 -1.364 -7.481 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.056 -7.939 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.194 -8.585 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.635 -8.903 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.385 -10.161 -4.099 1.00 0.00 H new ATOM 638 N PHE A 59 -0.864 -7.903 0.018 1.00 0.00 N ATOM 639 CA PHE A 59 0.118 -7.337 0.979 1.00 0.00 C ATOM 640 C PHE A 59 0.252 -8.268 2.167 1.00 0.00 C ATOM 641 O PHE A 59 1.330 -8.624 2.601 1.00 0.00 O ATOM 642 CB PHE A 59 -0.430 -6.000 1.461 1.00 0.00 C ATOM 643 CG PHE A 59 0.658 -5.218 2.156 1.00 0.00 C ATOM 644 CD1 PHE A 59 0.876 -5.392 3.529 1.00 0.00 C ATOM 645 CD2 PHE A 59 1.448 -4.318 1.431 1.00 0.00 C ATOM 646 CE1 PHE A 59 1.884 -4.667 4.174 1.00 0.00 C ATOM 647 CE2 PHE A 59 2.456 -3.593 2.077 1.00 0.00 C ATOM 648 CZ PHE A 59 2.674 -3.767 3.449 1.00 0.00 C ATOM 0 H PHE A 59 -1.821 -7.571 0.141 1.00 0.00 H new ATOM 0 HA PHE A 59 1.092 -7.214 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.816 -5.430 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.264 -6.164 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.266 -6.085 4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.280 -4.183 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.053 -4.802 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.066 -2.899 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.451 -3.207 3.948 1.00 0.00 H new ATOM 658 N THR A 60 -0.859 -8.643 2.684 1.00 0.00 N ATOM 659 CA THR A 60 -0.894 -9.550 3.863 1.00 0.00 C ATOM 660 C THR A 60 -0.691 -10.990 3.387 1.00 0.00 C ATOM 661 O THR A 60 -0.278 -11.857 4.129 1.00 0.00 O ATOM 662 CB THR A 60 -2.252 -9.358 4.580 1.00 0.00 C ATOM 663 OG1 THR A 60 -2.040 -8.655 5.795 1.00 0.00 O ATOM 664 CG2 THR A 60 -2.938 -10.695 4.889 1.00 0.00 C ATOM 0 H THR A 60 -1.776 -8.359 2.339 1.00 0.00 H new ATOM 0 HA THR A 60 -0.097 -9.321 4.570 1.00 0.00 H new ATOM 0 HB THR A 60 -2.904 -8.795 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.897 -8.528 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.887 -10.509 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.119 -11.234 3.959 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.296 -11.293 5.536 1.00 0.00 H new ATOM 672 N ASN A 61 -0.980 -11.235 2.153 1.00 0.00 N ATOM 673 CA ASN A 61 -0.815 -12.609 1.596 1.00 0.00 C ATOM 674 C ASN A 61 0.627 -13.065 1.790 1.00 0.00 C ATOM 675 O ASN A 61 0.967 -14.210 1.564 1.00 0.00 O ATOM 676 CB ASN A 61 -1.137 -12.589 0.105 1.00 0.00 C ATOM 677 CG ASN A 61 -1.199 -14.022 -0.426 1.00 0.00 C ATOM 678 OD1 ASN A 61 -0.256 -14.502 -1.022 1.00 0.00 O ATOM 679 ND2 ASN A 61 -2.278 -14.729 -0.234 1.00 0.00 N ATOM 0 H ASN A 61 -1.328 -10.541 1.491 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.488 -13.294 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.089 -12.086 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.377 -12.023 -0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.330 -15.685 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.070 -14.325 0.267 1.00 0.00 H new ATOM 686 N ILE A 62 1.476 -12.168 2.204 1.00 0.00 N ATOM 687 CA ILE A 62 2.918 -12.510 2.423 1.00 0.00 C ATOM 688 C ILE A 62 3.146 -12.650 3.921 1.00 0.00 C ATOM 689 O ILE A 62 4.102 -13.248 4.376 1.00 0.00 O ATOM 690 CB ILE A 62 3.804 -11.379 1.853 1.00 0.00 C ATOM 691 CG1 ILE A 62 3.067 -10.689 0.703 1.00 0.00 C ATOM 692 CG2 ILE A 62 5.127 -11.953 1.332 1.00 0.00 C ATOM 693 CD1 ILE A 62 3.969 -9.620 0.085 1.00 0.00 C ATOM 0 H ILE A 62 1.233 -11.198 2.404 1.00 0.00 H new ATOM 0 HA ILE A 62 3.175 -13.442 1.919 1.00 0.00 H new ATOM 0 HB ILE A 62 4.015 -10.661 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.784 -11.422 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.146 -10.235 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.742 -11.146 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.657 -12.444 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.924 -12.678 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.443 -9.129 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.230 -8.881 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.878 -10.086 -0.295 1.00 0.00 H new ATOM 705 N THR A 63 2.247 -12.102 4.681 1.00 0.00 N ATOM 706 CA THR A 63 2.340 -12.173 6.170 1.00 0.00 C ATOM 707 C THR A 63 1.281 -13.159 6.654 1.00 0.00 C ATOM 708 O THR A 63 1.301 -13.629 7.775 1.00 0.00 O ATOM 709 CB THR A 63 2.115 -10.767 6.740 1.00 0.00 C ATOM 710 OG1 THR A 63 3.376 -10.175 7.021 1.00 0.00 O ATOM 711 CG2 THR A 63 1.274 -10.787 8.026 1.00 0.00 C ATOM 0 H THR A 63 1.433 -11.596 4.331 1.00 0.00 H new ATOM 0 HA THR A 63 3.319 -12.518 6.504 1.00 0.00 H new ATOM 0 HB THR A 63 1.568 -10.190 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.241 -9.275 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.143 -9.768 8.391 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.299 -11.226 7.816 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.783 -11.381 8.785 1.00 0.00 H new ATOM 719 N TYR A 64 0.358 -13.469 5.797 1.00 0.00 N ATOM 720 CA TYR A 64 -0.725 -14.425 6.169 1.00 0.00 C ATOM 721 C TYR A 64 -0.120 -15.707 6.744 1.00 0.00 C ATOM 722 O TYR A 64 -0.819 -16.565 7.245 1.00 0.00 O ATOM 723 CB TYR A 64 -1.581 -14.754 4.931 1.00 0.00 C ATOM 724 CG TYR A 64 -0.895 -15.801 4.050 1.00 0.00 C ATOM 725 CD1 TYR A 64 0.464 -15.675 3.681 1.00 0.00 C ATOM 726 CD2 TYR A 64 -1.631 -16.908 3.600 1.00 0.00 C ATOM 727 CE1 TYR A 64 1.062 -16.652 2.873 1.00 0.00 C ATOM 728 CE2 TYR A 64 -1.026 -17.878 2.793 1.00 0.00 C ATOM 729 CZ TYR A 64 0.318 -17.750 2.430 1.00 0.00 C ATOM 730 OH TYR A 64 0.912 -18.709 1.635 1.00 0.00 O ATOM 0 H TYR A 64 0.302 -13.102 4.847 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.359 -13.965 6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.557 -15.123 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.755 -13.846 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.040 -14.827 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.669 -17.012 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.100 -16.556 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.598 -18.727 2.450 1.00 0.00 H new ATOM 0 HH TYR A 64 0.257 -19.404 1.416 1.00 0.00 H new ATOM 740 N ARG A 65 1.170 -15.848 6.668 1.00 0.00 N ATOM 741 CA ARG A 65 1.814 -17.078 7.205 1.00 0.00 C ATOM 742 C ARG A 65 1.740 -17.062 8.736 1.00 0.00 C ATOM 743 O ARG A 65 2.372 -17.854 9.407 1.00 0.00 O ATOM 744 CB ARG A 65 3.281 -17.124 6.746 1.00 0.00 C ATOM 745 CG ARG A 65 3.796 -18.576 6.780 1.00 0.00 C ATOM 746 CD ARG A 65 3.134 -19.426 5.662 1.00 0.00 C ATOM 747 NE ARG A 65 4.184 -20.142 4.857 1.00 0.00 N ATOM 748 CZ ARG A 65 5.177 -19.503 4.293 1.00 0.00 C ATOM 749 NH1 ARG A 65 5.240 -18.201 4.348 1.00 0.00 N ATOM 750 NH2 ARG A 65 6.097 -20.170 3.650 1.00 0.00 N ATOM 0 H ARG A 65 1.808 -15.166 6.258 1.00 0.00 H new ATOM 0 HA ARG A 65 1.296 -17.962 6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.368 -16.722 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.894 -16.496 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.879 -18.585 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.583 -19.019 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.449 -20.150 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.542 -18.784 5.010 1.00 0.00 H new ATOM 0 HE ARG A 65 4.120 -21.154 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.513 -17.675 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.017 -17.709 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.041 -21.187 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.872 -19.674 3.209 1.00 0.00 H new ATOM 764 N GLY A 66 0.972 -16.165 9.292 1.00 0.00 N ATOM 765 CA GLY A 66 0.856 -16.100 10.777 1.00 0.00 C ATOM 766 C GLY A 66 0.122 -17.342 11.285 1.00 0.00 C ATOM 767 O GLY A 66 -0.822 -17.249 12.045 1.00 0.00 O ATOM 0 H GLY A 66 0.420 -15.475 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.847 -16.040 11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.317 -15.200 11.071 1.00 0.00 H new ATOM 771 N THR A 67 0.547 -18.504 10.871 1.00 0.00 N ATOM 772 CA THR A 67 -0.127 -19.751 11.330 1.00 0.00 C ATOM 773 C THR A 67 -1.638 -19.617 11.133 1.00 0.00 C ATOM 774 O THR A 67 -2.372 -20.133 11.960 1.00 0.00 O ATOM 775 CB THR A 67 0.176 -19.980 12.813 1.00 0.00 C ATOM 776 OG1 THR A 67 -0.524 -19.020 13.591 1.00 0.00 O ATOM 777 CG2 THR A 67 1.679 -19.841 13.056 1.00 0.00 C ATOM 778 OXT THR A 67 -2.036 -18.999 10.159 1.00 0.00 O ATOM 0 H THR A 67 1.332 -18.644 10.235 1.00 0.00 H new ATOM 0 HA THR A 67 0.241 -20.597 10.749 1.00 0.00 H new ATOM 0 HB THR A 67 -0.144 -20.982 13.099 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.953 -18.368 12.998 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.893 -20.004 14.112 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.214 -20.579 12.459 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.003 -18.840 12.771 1.00 0.00 H new TER 786 THR A 67