USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot -140:sc= 0.504 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.473 X(o=0.98,f=0.66) USER MOD Set 2.1: A 55 GLN :FLIP amide:sc= -0.0346 F(o=-1.1,f=-0.062) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.0275 X(o=-0.23,f=-0.062) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 1.57 (180deg=-0.275!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.114 (180deg=-0.563) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.17) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -85:sc= 0.0106 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 83 THR OG1 : rot 60:sc= 0.0999 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 7.687 -11.223 -2.187 1.00 0.00 N ATOM 45 CA GLU A 4 6.604 -11.540 -3.057 1.00 0.00 C ATOM 46 C GLU A 4 5.933 -10.272 -3.469 1.00 0.00 C ATOM 47 O GLU A 4 5.400 -9.593 -2.631 1.00 0.00 O ATOM 48 CB GLU A 4 5.585 -12.360 -2.284 1.00 0.00 C ATOM 49 CG GLU A 4 4.410 -12.830 -3.119 1.00 0.00 C ATOM 50 CD GLU A 4 3.406 -13.642 -2.343 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.035 -13.263 -1.207 1.00 0.00 O ATOM 52 OE2 GLU A 4 2.923 -14.657 -2.876 1.00 0.00 O ATOM 0 HA GLU A 4 6.974 -12.087 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.083 -13.229 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.211 -11.764 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.909 -11.962 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.782 -13.427 -3.952 1.00 0.00 H new ATOM 59 N LEU A 5 5.989 -9.931 -4.719 1.00 0.00 N ATOM 60 CA LEU A 5 5.260 -8.786 -5.194 1.00 0.00 C ATOM 61 C LEU A 5 3.910 -9.282 -5.636 1.00 0.00 C ATOM 62 O LEU A 5 3.796 -9.983 -6.643 1.00 0.00 O ATOM 63 CB LEU A 5 5.984 -8.056 -6.343 1.00 0.00 C ATOM 64 CG LEU A 5 7.435 -7.620 -6.082 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.572 -6.941 -4.740 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.436 -8.760 -6.245 1.00 0.00 C ATOM 0 H LEU A 5 6.529 -10.424 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 5 5.171 -8.050 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.977 -8.707 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.404 -7.170 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 5 7.683 -6.889 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.610 -6.645 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.935 -6.057 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.270 -7.630 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.443 -8.391 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.197 -9.557 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.384 -9.147 -7.263 1.00 0.00 H new ATOM 78 N PHE A 6 2.909 -8.960 -4.884 1.00 0.00 N ATOM 79 CA PHE A 6 1.607 -9.516 -5.094 1.00 0.00 C ATOM 80 C PHE A 6 0.521 -8.472 -5.318 1.00 0.00 C ATOM 81 O PHE A 6 0.510 -7.417 -4.705 1.00 0.00 O ATOM 82 CB PHE A 6 1.216 -10.449 -3.935 1.00 0.00 C ATOM 83 CG PHE A 6 1.340 -9.861 -2.552 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.303 -9.134 -2.016 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.480 -10.041 -1.794 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.397 -8.589 -0.749 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.588 -9.505 -0.533 1.00 0.00 C ATOM 88 CZ PHE A 6 1.546 -8.776 -0.006 1.00 0.00 C ATOM 0 H PHE A 6 2.968 -8.304 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 6 1.678 -10.090 -6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.185 -10.769 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.838 -11.343 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.598 -8.987 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.301 -10.613 -2.199 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.425 -8.019 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.489 -9.656 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.627 -8.352 0.984 1.00 0.00 H new ATOM 98 N PRO A 7 -0.385 -8.760 -6.225 1.00 0.00 N ATOM 99 CA PRO A 7 -1.547 -7.931 -6.472 1.00 0.00 C ATOM 100 C PRO A 7 -2.713 -8.290 -5.546 1.00 0.00 C ATOM 101 O PRO A 7 -3.050 -9.466 -5.349 1.00 0.00 O ATOM 102 CB PRO A 7 -1.913 -8.295 -7.886 1.00 0.00 C ATOM 103 CG PRO A 7 -1.535 -9.743 -7.996 1.00 0.00 C ATOM 104 CD PRO A 7 -0.335 -9.923 -7.127 1.00 0.00 C ATOM 0 HA PRO A 7 -1.343 -6.873 -6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.976 -8.144 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.371 -7.685 -8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.353 -10.385 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.312 -10.011 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.377 -10.862 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.585 -9.938 -7.711 1.00 0.00 H new ATOM 112 N VAL A 8 -3.287 -7.307 -4.954 1.00 0.00 N ATOM 113 CA VAL A 8 -4.450 -7.503 -4.150 1.00 0.00 C ATOM 114 C VAL A 8 -5.530 -6.608 -4.676 1.00 0.00 C ATOM 115 O VAL A 8 -5.446 -5.392 -4.520 1.00 0.00 O ATOM 116 CB VAL A 8 -4.213 -7.150 -2.656 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.431 -7.481 -1.806 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.980 -7.829 -2.115 1.00 0.00 C ATOM 0 H VAL A 8 -2.968 -6.340 -5.010 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.720 -8.558 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.050 -6.074 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.231 -7.221 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.289 -6.912 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.647 -8.547 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.846 -7.559 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.093 -8.910 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.108 -7.510 -2.686 1.00 0.00 H new ATOM 128 N GLU A 9 -6.494 -7.168 -5.349 1.00 0.00 N ATOM 129 CA GLU A 9 -7.589 -6.367 -5.787 1.00 0.00 C ATOM 130 C GLU A 9 -8.649 -6.414 -4.717 1.00 0.00 C ATOM 131 O GLU A 9 -9.349 -7.430 -4.542 1.00 0.00 O ATOM 132 CB GLU A 9 -8.129 -6.781 -7.149 1.00 0.00 C ATOM 133 CG GLU A 9 -9.176 -5.815 -7.687 1.00 0.00 C ATOM 134 CD GLU A 9 -9.646 -6.175 -9.059 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.503 -7.066 -9.195 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.167 -5.585 -10.023 1.00 0.00 O ATOM 0 H GLU A 9 -6.541 -8.156 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.246 -5.343 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.303 -6.846 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.565 -7.777 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.029 -5.797 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.760 -4.808 -7.703 1.00 0.00 H new ATOM 143 N LEU A 10 -8.717 -5.352 -3.980 1.00 0.00 N ATOM 144 CA LEU A 10 -9.571 -5.244 -2.849 1.00 0.00 C ATOM 145 C LEU A 10 -10.870 -4.648 -3.344 1.00 0.00 C ATOM 146 O LEU A 10 -10.850 -3.824 -4.255 1.00 0.00 O ATOM 147 CB LEU A 10 -8.900 -4.272 -1.864 1.00 0.00 C ATOM 148 CG LEU A 10 -9.086 -4.493 -0.354 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.536 -4.578 0.039 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.319 -5.717 0.107 1.00 0.00 C ATOM 0 H LEU A 10 -8.163 -4.514 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.751 -6.203 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.829 -4.283 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.258 -3.269 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.677 -3.619 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.613 -4.734 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.041 -3.650 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.006 -5.411 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.464 -5.855 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.683 -6.596 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.258 -5.581 -0.101 1.00 0.00 H new ATOM 162 N GLU A 11 -11.973 -5.072 -2.802 1.00 0.00 N ATOM 163 CA GLU A 11 -13.230 -4.492 -3.159 1.00 0.00 C ATOM 164 C GLU A 11 -13.799 -3.720 -1.966 1.00 0.00 C ATOM 165 O GLU A 11 -14.513 -4.262 -1.125 1.00 0.00 O ATOM 166 CB GLU A 11 -14.200 -5.549 -3.676 1.00 0.00 C ATOM 167 CG GLU A 11 -15.527 -4.985 -4.126 1.00 0.00 C ATOM 168 CD GLU A 11 -16.457 -6.035 -4.643 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.905 -6.889 -3.858 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.814 -5.985 -5.830 1.00 0.00 O ATOM 0 H GLU A 11 -12.026 -5.819 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.078 -3.788 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.738 -6.077 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.375 -6.284 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.999 -4.468 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.356 -4.242 -4.905 1.00 0.00 H new ATOM 177 N LYS A 12 -13.420 -2.477 -1.873 1.00 0.00 N ATOM 178 CA LYS A 12 -13.826 -1.611 -0.795 1.00 0.00 C ATOM 179 C LYS A 12 -15.172 -0.942 -1.017 1.00 0.00 C ATOM 180 O LYS A 12 -15.849 -1.148 -2.034 1.00 0.00 O ATOM 181 CB LYS A 12 -12.754 -0.550 -0.483 1.00 0.00 C ATOM 182 CG LYS A 12 -11.601 -1.035 0.385 1.00 0.00 C ATOM 183 CD LYS A 12 -12.094 -1.622 1.708 1.00 0.00 C ATOM 184 CE LYS A 12 -11.547 -0.894 2.925 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.171 0.447 3.082 1.00 0.00 N ATOM 0 H LYS A 12 -12.810 -2.026 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.940 -2.269 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.349 -0.177 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.233 0.293 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.030 -1.789 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.923 -0.205 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.183 -1.587 1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.808 -2.672 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.730 -1.489 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.467 -0.785 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.551 1.054 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.307 0.878 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.092 0.348 3.555 1.00 0.00 H new ATOM 199 N ASP A 13 -15.527 -0.135 -0.038 1.00 0.00 N ATOM 200 CA ASP A 13 -16.767 0.606 0.026 1.00 0.00 C ATOM 201 C ASP A 13 -16.703 1.808 -0.918 1.00 0.00 C ATOM 202 O ASP A 13 -15.684 2.055 -1.586 1.00 0.00 O ATOM 203 CB ASP A 13 -16.953 1.079 1.492 1.00 0.00 C ATOM 204 CG ASP A 13 -18.266 1.736 1.833 1.00 0.00 C ATOM 205 OD1 ASP A 13 -19.226 1.039 2.216 1.00 0.00 O ATOM 206 OD2 ASP A 13 -18.347 2.963 1.746 1.00 0.00 O ATOM 0 H ASP A 13 -14.929 0.029 0.772 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.607 -0.017 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.825 0.216 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.152 1.779 1.727 1.00 0.00 H new ATOM 211 N GLU A 14 -17.734 2.573 -0.887 1.00 0.00 N ATOM 212 CA GLU A 14 -17.922 3.714 -1.743 1.00 0.00 C ATOM 213 C GLU A 14 -17.174 4.914 -1.180 1.00 0.00 C ATOM 214 O GLU A 14 -16.897 5.884 -1.898 1.00 0.00 O ATOM 215 CB GLU A 14 -19.415 4.000 -1.899 1.00 0.00 C ATOM 216 CG GLU A 14 -20.118 4.288 -0.586 1.00 0.00 C ATOM 217 CD GLU A 14 -21.603 4.339 -0.714 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.137 5.372 -1.124 1.00 0.00 O ATOM 219 OE2 GLU A 14 -22.277 3.334 -0.381 1.00 0.00 O ATOM 0 H GLU A 14 -18.509 2.424 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.515 3.505 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.546 4.852 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.892 3.145 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.848 3.520 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.761 5.239 -0.191 1.00 0.00 H new ATOM 226 N ASP A 15 -16.860 4.852 0.112 1.00 0.00 N ATOM 227 CA ASP A 15 -16.030 5.872 0.728 1.00 0.00 C ATOM 228 C ASP A 15 -14.631 5.745 0.192 1.00 0.00 C ATOM 229 O ASP A 15 -14.024 6.726 -0.257 1.00 0.00 O ATOM 230 CB ASP A 15 -15.993 5.741 2.257 1.00 0.00 C ATOM 231 CG ASP A 15 -15.103 6.799 2.910 1.00 0.00 C ATOM 232 OD1 ASP A 15 -13.851 6.625 2.961 1.00 0.00 O ATOM 233 OD2 ASP A 15 -15.629 7.820 3.397 1.00 0.00 O ATOM 0 H ASP A 15 -17.167 4.112 0.744 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.457 6.845 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.005 5.828 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.630 4.749 2.526 1.00 0.00 H new ATOM 238 N GLY A 16 -14.141 4.528 0.183 1.00 0.00 N ATOM 239 CA GLY A 16 -12.805 4.279 -0.247 1.00 0.00 C ATOM 240 C GLY A 16 -12.115 3.306 0.668 1.00 0.00 C ATOM 241 O GLY A 16 -12.672 2.243 1.001 1.00 0.00 O ATOM 0 H GLY A 16 -14.658 3.698 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.814 3.884 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.248 5.215 -0.274 1.00 0.00 H new ATOM 245 N LEU A 17 -10.947 3.664 1.142 1.00 0.00 N ATOM 246 CA LEU A 17 -10.165 2.749 1.936 1.00 0.00 C ATOM 247 C LEU A 17 -10.248 3.121 3.382 1.00 0.00 C ATOM 248 O LEU A 17 -10.523 2.261 4.233 1.00 0.00 O ATOM 249 CB LEU A 17 -8.695 2.762 1.534 1.00 0.00 C ATOM 250 CG LEU A 17 -8.388 2.851 0.061 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.903 2.758 -0.170 1.00 0.00 C ATOM 252 CD2 LEU A 17 -9.131 1.810 -0.743 1.00 0.00 C ATOM 0 H LEU A 17 -10.519 4.578 0.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.574 1.753 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.216 3.605 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.230 1.856 1.923 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.737 3.823 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.696 2.824 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.402 3.576 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.534 1.807 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.877 1.915 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.849 0.815 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.204 1.948 -0.613 1.00 0.00 H new ATOM 264 N GLY A 18 -10.019 4.387 3.655 1.00 0.00 N ATOM 265 CA GLY A 18 -9.969 4.856 5.003 1.00 0.00 C ATOM 266 C GLY A 18 -8.715 4.369 5.670 1.00 0.00 C ATOM 267 O GLY A 18 -8.708 4.081 6.862 1.00 0.00 O ATOM 0 H GLY A 18 -9.865 5.107 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.000 5.945 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.843 4.504 5.552 1.00 0.00 H new ATOM 271 N ILE A 19 -7.656 4.225 4.886 1.00 0.00 N ATOM 272 CA ILE A 19 -6.410 3.743 5.432 1.00 0.00 C ATOM 273 C ILE A 19 -5.371 4.850 5.437 1.00 0.00 C ATOM 274 O ILE A 19 -5.556 5.896 4.791 1.00 0.00 O ATOM 275 CB ILE A 19 -5.848 2.490 4.688 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.289 2.857 3.313 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.947 1.446 4.535 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.613 1.698 2.602 1.00 0.00 C ATOM 0 H ILE A 19 -7.640 4.433 3.888 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.627 3.430 6.453 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.032 2.083 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.100 3.232 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.572 3.670 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.550 0.574 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.307 1.149 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.771 1.867 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.241 2.032 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.780 1.337 3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.332 0.892 2.456 1.00 0.00 H new ATOM 290 N SER A 20 -4.292 4.611 6.127 1.00 0.00 N ATOM 291 CA SER A 20 -3.233 5.570 6.291 1.00 0.00 C ATOM 292 C SER A 20 -1.898 4.901 5.995 1.00 0.00 C ATOM 293 O SER A 20 -1.756 3.685 6.150 1.00 0.00 O ATOM 294 CB SER A 20 -3.258 6.097 7.728 1.00 0.00 C ATOM 295 OG SER A 20 -4.528 6.657 8.047 1.00 0.00 O ATOM 0 H SER A 20 -4.119 3.725 6.602 1.00 0.00 H new ATOM 0 HA SER A 20 -3.369 6.403 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.031 5.286 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.482 6.852 7.855 1.00 0.00 H new ATOM 0 HG SER A 20 -4.518 6.985 8.971 1.00 0.00 H new ATOM 301 N ILE A 21 -0.936 5.681 5.596 1.00 0.00 N ATOM 302 CA ILE A 21 0.387 5.200 5.246 1.00 0.00 C ATOM 303 C ILE A 21 1.416 5.910 6.089 1.00 0.00 C ATOM 304 O ILE A 21 1.085 6.870 6.799 1.00 0.00 O ATOM 305 CB ILE A 21 0.670 5.441 3.736 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.469 6.922 3.342 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.187 4.530 2.871 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.657 7.828 3.585 1.00 0.00 C ATOM 0 H ILE A 21 -1.042 6.691 5.500 1.00 0.00 H new ATOM 0 HA ILE A 21 0.440 4.128 5.437 1.00 0.00 H new ATOM 0 HB ILE A 21 1.718 5.197 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.211 6.967 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.384 7.314 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.029 4.718 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.035 3.489 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.241 4.729 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.410 8.843 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.907 7.824 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.511 7.470 3.010 1.00 0.00 H new ATOM 320 N ILE A 22 2.627 5.459 6.044 1.00 0.00 N ATOM 321 CA ILE A 22 3.672 6.120 6.748 1.00 0.00 C ATOM 322 C ILE A 22 4.909 6.221 5.876 1.00 0.00 C ATOM 323 O ILE A 22 5.307 5.244 5.240 1.00 0.00 O ATOM 324 CB ILE A 22 3.976 5.455 8.123 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.087 6.198 8.884 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.307 3.980 7.969 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.380 5.634 10.264 1.00 0.00 C ATOM 0 H ILE A 22 2.916 4.631 5.524 1.00 0.00 H new ATOM 0 HA ILE A 22 3.334 7.131 6.977 1.00 0.00 H new ATOM 0 HB ILE A 22 3.067 5.529 8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.001 6.169 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.805 7.246 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.513 3.549 8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.461 3.463 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.184 3.869 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.175 6.214 10.733 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.481 5.688 10.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.695 4.594 10.173 1.00 0.00 H new ATOM 339 N GLY A 23 5.468 7.400 5.812 1.00 0.00 N ATOM 340 CA GLY A 23 6.629 7.624 5.022 1.00 0.00 C ATOM 341 C GLY A 23 7.860 7.522 5.832 1.00 0.00 C ATOM 342 O GLY A 23 8.176 8.415 6.618 1.00 0.00 O ATOM 0 H GLY A 23 5.126 8.223 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.664 6.897 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.574 8.611 4.564 1.00 0.00 H new ATOM 346 N MET A 24 8.537 6.435 5.675 1.00 0.00 N ATOM 347 CA MET A 24 9.750 6.171 6.405 1.00 0.00 C ATOM 348 C MET A 24 10.719 5.396 5.561 1.00 0.00 C ATOM 349 O MET A 24 10.593 4.185 5.418 1.00 0.00 O ATOM 350 CB MET A 24 9.458 5.496 7.766 1.00 0.00 C ATOM 351 CG MET A 24 8.553 4.271 7.687 1.00 0.00 C ATOM 352 SD MET A 24 8.228 3.494 9.287 1.00 0.00 S ATOM 353 CE MET A 24 9.888 3.055 9.806 1.00 0.00 C ATOM 0 H MET A 24 8.268 5.691 5.031 1.00 0.00 H new ATOM 0 HA MET A 24 10.227 7.123 6.639 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.404 5.204 8.222 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.998 6.229 8.429 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.604 4.561 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.010 3.536 7.024 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.836 2.316 10.606 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.435 2.637 8.961 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.404 3.945 10.167 1.00 0.00 H new ATOM 363 N GLY A 25 11.665 6.132 4.967 1.00 0.00 N ATOM 364 CA GLY A 25 12.667 5.564 4.081 1.00 0.00 C ATOM 365 C GLY A 25 13.347 4.388 4.711 1.00 0.00 C ATOM 366 O GLY A 25 14.069 4.532 5.695 1.00 0.00 O ATOM 0 H GLY A 25 11.751 7.141 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.197 5.257 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.407 6.324 3.831 1.00 0.00 H new ATOM 488 N LEU A 35 11.112 2.151 -1.517 1.00 0.00 N ATOM 489 CA LEU A 35 10.146 3.028 -0.922 1.00 0.00 C ATOM 490 C LEU A 35 9.954 2.672 0.552 1.00 0.00 C ATOM 491 O LEU A 35 9.991 1.494 0.933 1.00 0.00 O ATOM 492 CB LEU A 35 8.831 2.864 -1.694 1.00 0.00 C ATOM 493 CG LEU A 35 8.185 1.474 -1.632 1.00 0.00 C ATOM 494 CD1 LEU A 35 7.137 1.401 -0.554 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.638 1.044 -2.965 1.00 0.00 C ATOM 0 HA LEU A 35 10.483 4.063 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.116 3.593 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.013 3.112 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 35 8.974 0.768 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.700 0.403 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.594 1.612 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.357 2.135 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.191 0.054 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.881 1.755 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.446 1.010 -3.696 1.00 0.00 H new ATOM 507 N GLY A 36 9.766 3.652 1.355 1.00 0.00 N ATOM 508 CA GLY A 36 9.565 3.412 2.739 1.00 0.00 C ATOM 509 C GLY A 36 8.158 3.701 3.141 1.00 0.00 C ATOM 510 O GLY A 36 7.898 4.143 4.253 1.00 0.00 O ATOM 0 H GLY A 36 9.747 4.634 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.805 2.374 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.246 4.033 3.321 1.00 0.00 H new ATOM 514 N ILE A 37 7.245 3.471 2.246 1.00 0.00 N ATOM 515 CA ILE A 37 5.869 3.723 2.537 1.00 0.00 C ATOM 516 C ILE A 37 5.214 2.473 3.054 1.00 0.00 C ATOM 517 O ILE A 37 4.877 1.557 2.299 1.00 0.00 O ATOM 518 CB ILE A 37 5.076 4.274 1.336 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.736 5.558 0.781 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.629 4.548 1.764 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.667 6.760 1.691 1.00 0.00 C ATOM 0 H ILE A 37 7.429 3.110 1.310 1.00 0.00 H new ATOM 0 HA ILE A 37 5.854 4.501 3.301 1.00 0.00 H new ATOM 0 HB ILE A 37 5.079 3.531 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.783 5.345 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.260 5.812 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.066 4.938 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.170 3.622 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.621 5.280 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.157 7.608 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.624 7.008 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.170 6.534 2.631 1.00 0.00 H new ATOM 533 N PHE A 38 5.077 2.422 4.326 1.00 0.00 N ATOM 534 CA PHE A 38 4.439 1.319 4.973 1.00 0.00 C ATOM 535 C PHE A 38 3.017 1.688 5.237 1.00 0.00 C ATOM 536 O PHE A 38 2.641 2.862 5.105 1.00 0.00 O ATOM 537 CB PHE A 38 5.141 0.979 6.286 1.00 0.00 C ATOM 538 CG PHE A 38 6.552 0.496 6.133 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.819 -0.852 5.985 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.606 1.386 6.147 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.114 -1.305 5.853 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.909 0.953 6.016 1.00 0.00 C ATOM 543 CZ PHE A 38 9.167 -0.400 5.868 1.00 0.00 C ATOM 0 H PHE A 38 5.405 3.149 4.962 1.00 0.00 H new ATOM 0 HA PHE A 38 4.490 0.441 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.141 1.864 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.563 0.214 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.003 -1.559 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.407 2.441 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.309 -2.361 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.722 1.664 6.029 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.184 -0.750 5.765 1.00 0.00 H new ATOM 553 N VAL A 39 2.220 0.729 5.572 1.00 0.00 N ATOM 554 CA VAL A 39 0.874 1.007 5.931 1.00 0.00 C ATOM 555 C VAL A 39 0.883 1.468 7.384 1.00 0.00 C ATOM 556 O VAL A 39 1.546 0.875 8.230 1.00 0.00 O ATOM 557 CB VAL A 39 -0.043 -0.231 5.734 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.495 0.112 6.036 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.090 -0.769 4.312 1.00 0.00 C ATOM 0 H VAL A 39 2.481 -0.257 5.604 1.00 0.00 H new ATOM 0 HA VAL A 39 0.465 1.784 5.285 1.00 0.00 H new ATOM 0 HB VAL A 39 0.276 -1.004 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.116 -0.772 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.582 0.450 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.829 0.904 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.558 -1.636 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.201 0.005 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.124 -1.060 4.128 1.00 0.00 H new ATOM 569 N LYS A 40 0.227 2.550 7.651 1.00 0.00 N ATOM 570 CA LYS A 40 0.193 3.097 8.983 1.00 0.00 C ATOM 571 C LYS A 40 -1.010 2.583 9.705 1.00 0.00 C ATOM 572 O LYS A 40 -0.907 2.088 10.814 1.00 0.00 O ATOM 573 CB LYS A 40 0.161 4.629 8.932 1.00 0.00 C ATOM 574 CG LYS A 40 -0.059 5.389 10.262 1.00 0.00 C ATOM 575 CD LYS A 40 1.141 5.421 11.226 1.00 0.00 C ATOM 576 CE LYS A 40 1.445 4.088 11.890 1.00 0.00 C ATOM 577 NZ LYS A 40 2.463 4.240 12.946 1.00 0.00 N ATOM 0 H LYS A 40 -0.301 3.084 6.960 1.00 0.00 H new ATOM 0 HA LYS A 40 1.093 2.788 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.103 4.970 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.629 4.925 8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.340 6.416 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.905 4.937 10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.024 5.750 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.951 6.164 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.532 3.675 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.796 3.377 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.651 3.315 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.341 4.612 12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.116 4.900 13.671 1.00 0.00 H new ATOM 591 N THR A 41 -2.138 2.682 9.071 1.00 0.00 N ATOM 592 CA THR A 41 -3.368 2.306 9.676 1.00 0.00 C ATOM 593 C THR A 41 -4.284 1.850 8.575 1.00 0.00 C ATOM 594 O THR A 41 -4.068 2.177 7.405 1.00 0.00 O ATOM 595 CB THR A 41 -4.041 3.519 10.335 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.053 4.413 10.869 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.946 3.094 11.469 1.00 0.00 C ATOM 0 H THR A 41 -2.226 3.028 8.116 1.00 0.00 H new ATOM 0 HA THR A 41 -3.181 1.536 10.424 1.00 0.00 H new ATOM 0 HB THR A 41 -4.628 4.018 9.564 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.497 5.181 11.284 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.408 3.975 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.722 2.432 11.086 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.361 2.569 12.224 1.00 0.00 H new ATOM 605 N VAL A 42 -5.275 1.134 8.936 1.00 0.00 N ATOM 606 CA VAL A 42 -6.282 0.695 8.046 1.00 0.00 C ATOM 607 C VAL A 42 -7.589 1.001 8.754 1.00 0.00 C ATOM 608 O VAL A 42 -7.573 1.236 9.978 1.00 0.00 O ATOM 609 CB VAL A 42 -6.178 -0.852 7.743 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.256 -1.298 6.777 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.820 -1.221 7.171 1.00 0.00 C ATOM 0 H VAL A 42 -5.416 0.823 9.897 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.193 1.194 7.081 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.313 -1.364 8.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.157 -2.367 6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.237 -1.095 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.151 -0.754 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.787 -2.293 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.657 -0.677 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.040 -0.958 7.886 1.00 0.00 H new ATOM 621 N THR A 43 -8.682 1.067 8.023 1.00 0.00 N ATOM 622 CA THR A 43 -9.976 1.212 8.622 1.00 0.00 C ATOM 623 C THR A 43 -10.197 0.011 9.551 1.00 0.00 C ATOM 624 O THR A 43 -9.600 -1.063 9.329 1.00 0.00 O ATOM 625 CB THR A 43 -11.107 1.266 7.540 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.387 1.440 8.153 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.129 -0.005 6.707 1.00 0.00 C ATOM 0 H THR A 43 -8.691 1.021 7.004 1.00 0.00 H new ATOM 0 HA THR A 43 -10.016 2.149 9.177 1.00 0.00 H new ATOM 0 HB THR A 43 -10.894 2.116 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.080 1.473 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.924 0.061 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.170 -0.126 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.309 -0.862 7.356 1.00 0.00 H new ATOM 664 N ALA A 47 -13.629 -3.664 4.417 1.00 0.00 N ATOM 665 CA ALA A 47 -13.415 -4.814 3.583 1.00 0.00 C ATOM 666 C ALA A 47 -11.932 -5.026 3.413 1.00 0.00 C ATOM 667 O ALA A 47 -11.517 -5.859 2.676 1.00 0.00 O ATOM 668 CB ALA A 47 -14.075 -4.627 2.229 1.00 0.00 C ATOM 0 HA ALA A 47 -13.861 -5.688 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.900 -5.510 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.147 -4.485 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.652 -3.752 1.736 1.00 0.00 H new ATOM 674 N ALA A 48 -11.133 -4.269 4.153 1.00 0.00 N ATOM 675 CA ALA A 48 -9.681 -4.344 4.022 1.00 0.00 C ATOM 676 C ALA A 48 -9.130 -5.268 5.064 1.00 0.00 C ATOM 677 O ALA A 48 -8.513 -6.271 4.746 1.00 0.00 O ATOM 678 CB ALA A 48 -9.045 -2.975 4.148 1.00 0.00 C ATOM 0 H ALA A 48 -11.462 -3.598 4.848 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.445 -4.730 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.964 -3.065 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.430 -2.322 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.283 -2.552 5.124 1.00 0.00 H new ATOM 684 N GLN A 49 -9.412 -4.974 6.326 1.00 0.00 N ATOM 685 CA GLN A 49 -8.950 -5.851 7.378 1.00 0.00 C ATOM 686 C GLN A 49 -9.875 -7.028 7.504 1.00 0.00 C ATOM 687 O GLN A 49 -9.575 -8.025 8.162 1.00 0.00 O ATOM 688 CB GLN A 49 -8.763 -5.113 8.682 1.00 0.00 C ATOM 689 CG GLN A 49 -7.530 -4.242 8.682 1.00 0.00 C ATOM 690 CD GLN A 49 -7.233 -3.606 10.021 1.00 0.00 C ATOM 691 OE1 GLN A 49 -6.069 -3.397 10.370 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.249 -3.239 10.742 1.00 0.00 N ATOM 0 H GLN A 49 -9.942 -4.159 6.635 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.964 -6.230 7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.640 -4.495 8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.695 -5.834 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.673 -4.842 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.651 -3.457 7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.198 -3.429 10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.098 -2.760 11.630 1.00 0.00 H new ATOM 701 N ARG A 50 -11.016 -6.900 6.862 1.00 0.00 N ATOM 702 CA ARG A 50 -11.945 -7.978 6.756 1.00 0.00 C ATOM 703 C ARG A 50 -11.702 -8.783 5.481 1.00 0.00 C ATOM 704 O ARG A 50 -12.323 -9.820 5.268 1.00 0.00 O ATOM 705 CB ARG A 50 -13.363 -7.481 6.828 1.00 0.00 C ATOM 706 CG ARG A 50 -13.766 -6.926 8.197 1.00 0.00 C ATOM 707 CD ARG A 50 -13.729 -7.984 9.315 1.00 0.00 C ATOM 708 NE ARG A 50 -12.352 -8.320 9.745 1.00 0.00 N ATOM 709 CZ ARG A 50 -11.962 -9.461 10.339 1.00 0.00 C ATOM 710 NH1 ARG A 50 -12.829 -10.441 10.550 1.00 0.00 N ATOM 711 NH2 ARG A 50 -10.696 -9.609 10.722 1.00 0.00 N ATOM 0 H ARG A 50 -11.316 -6.040 6.402 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.787 -8.643 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.502 -6.702 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.036 -8.298 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.099 -6.105 8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.772 -6.511 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.293 -7.619 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.227 -8.889 8.968 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.631 -7.619 9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.801 -10.333 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.524 -11.303 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.024 -8.858 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.397 -10.474 11.173 1.00 0.00 H new ATOM 725 N ASP A 51 -10.840 -8.260 4.594 1.00 0.00 N ATOM 726 CA ASP A 51 -10.407 -9.047 3.416 1.00 0.00 C ATOM 727 C ASP A 51 -9.507 -10.162 3.885 1.00 0.00 C ATOM 728 O ASP A 51 -9.837 -11.334 3.759 1.00 0.00 O ATOM 729 CB ASP A 51 -9.646 -8.205 2.381 1.00 0.00 C ATOM 730 CG ASP A 51 -9.155 -9.038 1.205 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.037 -9.590 1.273 1.00 0.00 O ATOM 732 OD2 ASP A 51 -9.885 -9.168 0.206 1.00 0.00 O ATOM 0 H ASP A 51 -10.437 -7.325 4.660 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.305 -9.429 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.296 -7.410 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.795 -7.724 2.863 1.00 0.00 H new ATOM 737 N GLY A 52 -8.368 -9.788 4.426 1.00 0.00 N ATOM 738 CA GLY A 52 -7.478 -10.760 4.984 1.00 0.00 C ATOM 739 C GLY A 52 -6.150 -10.868 4.272 1.00 0.00 C ATOM 740 O GLY A 52 -5.153 -11.282 4.881 1.00 0.00 O ATOM 0 H GLY A 52 -8.045 -8.822 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.297 -10.512 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.966 -11.734 4.967 1.00 0.00 H new ATOM 744 N ARG A 53 -6.100 -10.515 3.001 1.00 0.00 N ATOM 745 CA ARG A 53 -4.856 -10.652 2.261 1.00 0.00 C ATOM 746 C ARG A 53 -3.947 -9.464 2.583 1.00 0.00 C ATOM 747 O ARG A 53 -2.734 -9.613 2.688 1.00 0.00 O ATOM 748 CB ARG A 53 -5.122 -10.746 0.738 1.00 0.00 C ATOM 749 CG ARG A 53 -4.133 -11.621 -0.064 1.00 0.00 C ATOM 750 CD ARG A 53 -2.690 -11.157 0.035 1.00 0.00 C ATOM 751 NE ARG A 53 -1.760 -12.046 -0.681 1.00 0.00 N ATOM 752 CZ ARG A 53 -0.462 -12.219 -0.363 1.00 0.00 C ATOM 753 NH1 ARG A 53 0.045 -11.628 0.717 1.00 0.00 N ATOM 754 NH2 ARG A 53 0.316 -12.990 -1.125 1.00 0.00 N ATOM 0 H ARG A 53 -6.885 -10.140 2.468 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.362 -11.576 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.128 -11.137 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.106 -9.738 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.200 -12.649 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.433 -11.626 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.608 -10.149 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.400 -11.103 1.084 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.125 -12.570 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.549 -11.043 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.028 -11.760 0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.072 -13.449 -1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.298 -13.120 -0.883 1.00 0.00 H new ATOM 768 N ILE A 54 -4.537 -8.303 2.762 1.00 0.00 N ATOM 769 CA ILE A 54 -3.764 -7.108 3.048 1.00 0.00 C ATOM 770 C ILE A 54 -3.660 -6.919 4.571 1.00 0.00 C ATOM 771 O ILE A 54 -4.561 -7.348 5.330 1.00 0.00 O ATOM 772 CB ILE A 54 -4.404 -5.841 2.390 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.401 -4.674 2.365 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.663 -5.430 3.154 1.00 0.00 C ATOM 775 CD1 ILE A 54 -3.890 -3.457 1.605 1.00 0.00 C ATOM 0 H ILE A 54 -5.546 -8.158 2.715 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.768 -7.233 2.623 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.674 -6.088 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.173 -4.382 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.469 -5.019 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.100 -4.547 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.385 -6.247 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.403 -5.203 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.127 -2.679 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.090 -3.731 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.805 -3.084 2.065 1.00 0.00 H new ATOM 787 N GLN A 55 -2.581 -6.335 5.017 1.00 0.00 N ATOM 788 CA GLN A 55 -2.380 -6.085 6.416 1.00 0.00 C ATOM 789 C GLN A 55 -1.956 -4.637 6.659 1.00 0.00 C ATOM 790 O GLN A 55 -1.565 -3.927 5.738 1.00 0.00 O ATOM 791 CB GLN A 55 -1.307 -7.009 6.964 1.00 0.00 C ATOM 792 CG GLN A 55 -1.652 -8.486 6.949 1.00 0.00 C ATOM 793 CD GLN A 55 -0.485 -9.358 7.376 1.00 0.00 C ATOM 794 OE1 GLN A 55 0.730 -8.972 7.019 1.00 0.00 O flip ATOM 795 NE2 GLN A 55 -0.679 -10.413 7.983 1.00 0.00 N flip ATOM 0 H GLN A 55 -1.817 -6.019 4.419 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.326 -6.270 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.394 -6.860 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.087 -6.715 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.498 -8.665 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.968 -8.772 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.627 -10.684 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.108 -11.015 8.224 1.00 0.00 H new ATOM 804 N VAL A 56 -1.995 -4.228 7.922 1.00 0.00 N ATOM 805 CA VAL A 56 -1.589 -2.879 8.326 1.00 0.00 C ATOM 806 C VAL A 56 -0.065 -2.827 8.491 1.00 0.00 C ATOM 807 O VAL A 56 0.514 -1.782 8.662 1.00 0.00 O ATOM 808 CB VAL A 56 -2.273 -2.462 9.683 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.743 -3.259 10.868 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.176 -0.963 9.950 1.00 0.00 C ATOM 0 H VAL A 56 -2.307 -4.816 8.695 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.905 -2.182 7.550 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.329 -2.705 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.246 -2.934 11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.933 -4.320 10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.670 -3.094 10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.663 -0.730 10.897 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.127 -0.669 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.668 -0.417 9.145 1.00 0.00 H new ATOM 820 N ASN A 57 0.569 -3.970 8.432 1.00 0.00 N ATOM 821 CA ASN A 57 2.007 -4.030 8.642 1.00 0.00 C ATOM 822 C ASN A 57 2.732 -4.267 7.332 1.00 0.00 C ATOM 823 O ASN A 57 3.940 -4.549 7.303 1.00 0.00 O ATOM 824 CB ASN A 57 2.370 -5.103 9.677 1.00 0.00 C ATOM 825 CG ASN A 57 2.109 -6.535 9.221 1.00 0.00 C ATOM 826 OD1 ASN A 57 0.958 -7.068 9.556 1.00 0.00 O flip ATOM 827 ND2 ASN A 57 2.957 -7.170 8.600 1.00 0.00 N flip ATOM 0 H ASN A 57 0.124 -4.868 8.243 1.00 0.00 H new ATOM 0 HA ASN A 57 2.331 -3.067 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.425 -5.003 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.803 -4.916 10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.844 -6.730 8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.775 -8.137 8.332 1.00 0.00 H new ATOM 834 N ASP A 58 2.009 -4.118 6.253 1.00 0.00 N ATOM 835 CA ASP A 58 2.569 -4.311 4.929 1.00 0.00 C ATOM 836 C ASP A 58 3.105 -2.999 4.378 1.00 0.00 C ATOM 837 O ASP A 58 3.114 -1.966 5.073 1.00 0.00 O ATOM 838 CB ASP A 58 1.552 -4.923 3.942 1.00 0.00 C ATOM 839 CG ASP A 58 1.137 -6.349 4.268 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.969 -7.134 4.765 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.014 -6.721 3.989 1.00 0.00 O ATOM 0 H ASP A 58 1.022 -3.861 6.260 1.00 0.00 H new ATOM 0 HA ASP A 58 3.389 -5.021 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.662 -4.295 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.980 -4.903 2.940 1.00 0.00 H new ATOM 846 N GLN A 59 3.531 -3.033 3.142 1.00 0.00 N ATOM 847 CA GLN A 59 4.129 -1.901 2.492 1.00 0.00 C ATOM 848 C GLN A 59 3.564 -1.725 1.079 1.00 0.00 C ATOM 849 O GLN A 59 3.604 -2.651 0.272 1.00 0.00 O ATOM 850 CB GLN A 59 5.637 -2.094 2.468 1.00 0.00 C ATOM 851 CG GLN A 59 6.367 -1.115 1.606 1.00 0.00 C ATOM 852 CD GLN A 59 7.848 -1.234 1.717 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.472 -2.009 1.004 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.428 -0.435 2.566 1.00 0.00 N ATOM 0 H GLN A 59 3.470 -3.862 2.551 1.00 0.00 H new ATOM 0 HA GLN A 59 3.894 -0.991 3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.018 -2.019 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.857 -3.103 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.073 -1.264 0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.068 -0.103 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.866 0.194 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.444 -0.438 2.657 1.00 0.00 H new ATOM 863 N ILE A 60 3.066 -0.537 0.790 1.00 0.00 N ATOM 864 CA ILE A 60 2.436 -0.241 -0.494 1.00 0.00 C ATOM 865 C ILE A 60 3.506 -0.126 -1.590 1.00 0.00 C ATOM 866 O ILE A 60 4.315 0.782 -1.563 1.00 0.00 O ATOM 867 CB ILE A 60 1.666 1.110 -0.449 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.630 1.151 0.696 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.982 1.362 -1.777 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.434 0.069 0.639 1.00 0.00 C ATOM 0 H ILE A 60 3.084 0.253 1.435 1.00 0.00 H new ATOM 0 HA ILE A 60 1.742 -1.054 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 60 2.396 1.896 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.158 1.070 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.138 2.124 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.446 2.310 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.729 1.402 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.278 0.555 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.113 0.182 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.994 0.159 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.041 -0.911 0.684 1.00 0.00 H new ATOM 882 N VAL A 61 3.493 -1.029 -2.542 1.00 0.00 N ATOM 883 CA VAL A 61 4.479 -0.994 -3.620 1.00 0.00 C ATOM 884 C VAL A 61 3.921 -0.220 -4.810 1.00 0.00 C ATOM 885 O VAL A 61 4.557 0.700 -5.344 1.00 0.00 O ATOM 886 CB VAL A 61 4.900 -2.436 -4.034 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.775 -2.463 -5.275 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.601 -3.124 -2.886 1.00 0.00 C ATOM 0 H VAL A 61 2.821 -1.794 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 61 5.372 -0.482 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 61 3.985 -2.974 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.036 -3.494 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.233 -2.023 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.685 -1.892 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.890 -4.131 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.491 -2.558 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.928 -3.181 -2.030 1.00 0.00 H new ATOM 898 N GLU A 62 2.735 -0.577 -5.203 1.00 0.00 N ATOM 899 CA GLU A 62 2.057 0.063 -6.284 1.00 0.00 C ATOM 900 C GLU A 62 0.563 -0.019 -6.092 1.00 0.00 C ATOM 901 O GLU A 62 0.022 -1.070 -5.861 1.00 0.00 O ATOM 902 CB GLU A 62 2.467 -0.543 -7.639 1.00 0.00 C ATOM 903 CG GLU A 62 1.552 -0.136 -8.773 1.00 0.00 C ATOM 904 CD GLU A 62 2.048 -0.533 -10.121 1.00 0.00 C ATOM 905 OE1 GLU A 62 1.821 -1.671 -10.537 1.00 0.00 O ATOM 906 OE2 GLU A 62 2.628 0.318 -10.809 1.00 0.00 O ATOM 0 H GLU A 62 2.205 -1.334 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 62 2.349 1.113 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.486 -0.236 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.473 -1.630 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.570 -0.581 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.419 0.946 -8.749 1.00 0.00 H new ATOM 913 N VAL A 63 -0.083 1.095 -6.146 1.00 0.00 N ATOM 914 CA VAL A 63 -1.510 1.143 -6.088 1.00 0.00 C ATOM 915 C VAL A 63 -2.033 1.741 -7.361 1.00 0.00 C ATOM 916 O VAL A 63 -1.485 2.725 -7.842 1.00 0.00 O ATOM 917 CB VAL A 63 -2.004 1.931 -4.845 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.416 2.432 -5.046 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.971 1.023 -3.648 1.00 0.00 C ATOM 0 H VAL A 63 0.365 2.007 -6.232 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.896 0.129 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.350 2.790 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.737 2.980 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.448 3.092 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.083 1.585 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.316 1.567 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.622 0.166 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.951 0.676 -3.482 1.00 0.00 H new ATOM 929 N ASP A 64 -3.011 1.058 -7.959 1.00 0.00 N ATOM 930 CA ASP A 64 -3.748 1.532 -9.164 1.00 0.00 C ATOM 931 C ASP A 64 -2.807 1.691 -10.382 1.00 0.00 C ATOM 932 O ASP A 64 -3.150 2.305 -11.396 1.00 0.00 O ATOM 933 CB ASP A 64 -4.496 2.856 -8.837 1.00 0.00 C ATOM 934 CG ASP A 64 -5.566 3.229 -9.850 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.607 2.535 -9.903 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.412 4.215 -10.583 1.00 0.00 O ATOM 0 H ASP A 64 -3.328 0.147 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.486 0.778 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.957 2.767 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.769 3.666 -8.777 1.00 0.00 H new ATOM 941 N GLY A 65 -1.635 1.079 -10.285 1.00 0.00 N ATOM 942 CA GLY A 65 -0.650 1.157 -11.343 1.00 0.00 C ATOM 943 C GLY A 65 0.128 2.458 -11.307 1.00 0.00 C ATOM 944 O GLY A 65 0.812 2.808 -12.259 1.00 0.00 O ATOM 0 H GLY A 65 -1.347 0.523 -9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.042 0.319 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.147 1.060 -12.308 1.00 0.00 H new ATOM 948 N ILE A 66 0.054 3.166 -10.188 1.00 0.00 N ATOM 949 CA ILE A 66 0.679 4.465 -10.076 1.00 0.00 C ATOM 950 C ILE A 66 2.205 4.357 -9.803 1.00 0.00 C ATOM 951 O ILE A 66 2.936 5.313 -10.022 1.00 0.00 O ATOM 952 CB ILE A 66 -0.019 5.324 -8.968 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.002 6.794 -9.381 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.676 5.138 -7.608 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.743 7.710 -8.448 1.00 0.00 C ATOM 0 H ILE A 66 -0.434 2.857 -9.348 1.00 0.00 H new ATOM 0 HA ILE A 66 0.555 4.965 -11.037 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.051 4.991 -8.861 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.033 7.127 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.434 6.884 -10.378 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.172 5.745 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.631 4.089 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.718 5.448 -7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.680 8.734 -8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.789 7.407 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.299 7.654 -7.454 1.00 0.00 H new ATOM 967 N SER A 67 2.644 3.165 -9.370 1.00 0.00 N ATOM 968 CA SER A 67 4.032 2.879 -8.965 1.00 0.00 C ATOM 969 C SER A 67 4.711 3.997 -8.181 1.00 0.00 C ATOM 970 O SER A 67 5.456 4.808 -8.720 1.00 0.00 O ATOM 971 CB SER A 67 4.874 2.289 -10.110 1.00 0.00 C ATOM 972 OG SER A 67 4.428 2.766 -11.380 1.00 0.00 O ATOM 0 H SER A 67 2.031 2.354 -9.289 1.00 0.00 H new ATOM 0 HA SER A 67 3.958 2.082 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.922 2.553 -9.967 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.813 1.201 -10.086 1.00 0.00 H new ATOM 0 HG SER A 67 3.688 2.208 -11.697 1.00 0.00 H new ATOM 978 N LEU A 68 4.408 4.031 -6.907 1.00 0.00 N ATOM 979 CA LEU A 68 4.876 5.033 -6.001 1.00 0.00 C ATOM 980 C LEU A 68 6.189 4.607 -5.298 1.00 0.00 C ATOM 981 O LEU A 68 6.467 4.960 -4.143 1.00 0.00 O ATOM 982 CB LEU A 68 3.721 5.425 -5.023 1.00 0.00 C ATOM 983 CG LEU A 68 3.045 4.383 -4.053 1.00 0.00 C ATOM 984 CD1 LEU A 68 2.495 3.138 -4.705 1.00 0.00 C ATOM 985 CD2 LEU A 68 3.855 4.080 -2.801 1.00 0.00 C ATOM 0 H LEU A 68 3.808 3.335 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 68 5.147 5.932 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.102 6.232 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.923 5.845 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 68 2.158 4.922 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.054 2.493 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.732 3.415 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.301 2.605 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.320 3.355 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.824 3.670 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.002 4.998 -2.232 1.00 0.00 H new ATOM 997 N VAL A 69 7.025 3.927 -6.051 1.00 0.00 N ATOM 998 CA VAL A 69 8.286 3.401 -5.560 1.00 0.00 C ATOM 999 C VAL A 69 9.308 4.526 -5.291 1.00 0.00 C ATOM 1000 O VAL A 69 10.026 4.983 -6.191 1.00 0.00 O ATOM 1001 CB VAL A 69 8.890 2.348 -6.535 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.175 1.731 -5.978 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.867 1.263 -6.862 1.00 0.00 C ATOM 0 H VAL A 69 6.849 3.720 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 69 8.069 2.904 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 69 9.150 2.868 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.566 1.001 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.916 2.515 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.960 1.237 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.311 0.538 -7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.565 0.759 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.994 1.716 -7.331 1.00 0.00 H new ATOM 1013 N GLY A 70 9.307 5.007 -4.080 1.00 0.00 N ATOM 1014 CA GLY A 70 10.260 6.005 -3.673 1.00 0.00 C ATOM 1015 C GLY A 70 9.621 7.354 -3.515 1.00 0.00 C ATOM 1016 O GLY A 70 10.242 8.380 -3.772 1.00 0.00 O ATOM 0 H GLY A 70 8.652 4.723 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.718 5.707 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.060 6.066 -4.411 1.00 0.00 H new ATOM 1020 N VAL A 71 8.386 7.366 -3.098 1.00 0.00 N ATOM 1021 CA VAL A 71 7.682 8.634 -2.918 1.00 0.00 C ATOM 1022 C VAL A 71 7.579 8.999 -1.450 1.00 0.00 C ATOM 1023 O VAL A 71 7.985 8.221 -0.578 1.00 0.00 O ATOM 1024 CB VAL A 71 6.266 8.641 -3.543 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.331 8.333 -5.031 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.339 7.677 -2.813 1.00 0.00 C ATOM 0 H VAL A 71 7.841 6.533 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 71 8.280 9.377 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 71 5.850 9.642 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.324 8.343 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.940 9.086 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.776 7.349 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.351 7.703 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.742 6.666 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.259 7.971 -1.767 1.00 0.00 H new ATOM 1036 N THR A 72 7.037 10.160 -1.182 1.00 0.00 N ATOM 1037 CA THR A 72 6.844 10.602 0.159 1.00 0.00 C ATOM 1038 C THR A 72 5.480 10.198 0.630 1.00 0.00 C ATOM 1039 O THR A 72 4.655 9.672 -0.150 1.00 0.00 O ATOM 1040 CB THR A 72 6.968 12.126 0.280 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.081 12.773 -0.655 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.391 12.567 0.064 1.00 0.00 C ATOM 0 H THR A 72 6.720 10.819 -1.893 1.00 0.00 H new ATOM 0 HA THR A 72 7.619 10.140 0.771 1.00 0.00 H new ATOM 0 HB THR A 72 6.679 12.418 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.530 13.551 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.454 13.651 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.033 12.103 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.718 12.267 -0.932 1.00 0.00 H new ATOM 1050 N GLN A 73 5.211 10.475 1.876 1.00 0.00 N ATOM 1051 CA GLN A 73 3.939 10.143 2.449 1.00 0.00 C ATOM 1052 C GLN A 73 2.838 11.002 1.834 1.00 0.00 C ATOM 1053 O GLN A 73 1.710 10.583 1.758 1.00 0.00 O ATOM 1054 CB GLN A 73 3.945 10.209 4.007 1.00 0.00 C ATOM 1055 CG GLN A 73 3.408 11.483 4.669 1.00 0.00 C ATOM 1056 CD GLN A 73 4.248 12.713 4.436 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.531 12.542 4.317 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 3.732 13.822 4.395 1.00 0.00 N flip ATOM 0 H GLN A 73 5.860 10.932 2.516 1.00 0.00 H new ATOM 0 HA GLN A 73 3.728 9.102 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.363 9.366 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.971 10.063 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.400 11.672 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.327 11.312 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.721 13.918 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.313 14.650 4.264 1.00 0.00 H new ATOM 1067 N ASN A 74 3.211 12.183 1.331 1.00 0.00 N ATOM 1068 CA ASN A 74 2.241 13.101 0.718 1.00 0.00 C ATOM 1069 C ASN A 74 1.694 12.463 -0.515 1.00 0.00 C ATOM 1070 O ASN A 74 0.477 12.403 -0.720 1.00 0.00 O ATOM 1071 CB ASN A 74 2.870 14.439 0.292 1.00 0.00 C ATOM 1072 CG ASN A 74 3.729 15.080 1.336 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.253 15.825 2.192 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.011 14.837 1.243 1.00 0.00 N ATOM 0 H ASN A 74 4.172 12.526 1.335 1.00 0.00 H new ATOM 0 HA ASN A 74 1.474 13.300 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.469 14.276 -0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.073 15.131 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.661 15.273 1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.360 14.212 0.517 1.00 0.00 H new ATOM 1081 N PHE A 75 2.613 11.952 -1.327 1.00 0.00 N ATOM 1082 CA PHE A 75 2.267 11.336 -2.573 1.00 0.00 C ATOM 1083 C PHE A 75 1.441 10.096 -2.301 1.00 0.00 C ATOM 1084 O PHE A 75 0.345 9.943 -2.825 1.00 0.00 O ATOM 1085 CB PHE A 75 3.529 10.959 -3.359 1.00 0.00 C ATOM 1086 CG PHE A 75 3.264 10.517 -4.784 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.819 9.232 -5.068 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.469 11.391 -5.837 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.583 8.834 -6.363 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.233 10.995 -7.140 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.790 9.716 -7.403 1.00 0.00 C ATOM 0 H PHE A 75 3.613 11.960 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 75 1.690 12.042 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.203 11.816 -3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.046 10.157 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.656 8.535 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.817 12.394 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.236 7.832 -6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.396 11.688 -7.953 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.606 9.406 -8.421 1.00 0.00 H new ATOM 1101 N ALA A 76 1.962 9.241 -1.438 1.00 0.00 N ATOM 1102 CA ALA A 76 1.317 7.981 -1.119 1.00 0.00 C ATOM 1103 C ALA A 76 -0.073 8.171 -0.511 1.00 0.00 C ATOM 1104 O ALA A 76 -1.016 7.510 -0.928 1.00 0.00 O ATOM 1105 CB ALA A 76 2.191 7.149 -0.220 1.00 0.00 C ATOM 0 H ALA A 76 2.839 9.400 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 76 1.176 7.448 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.689 6.209 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.137 6.943 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.381 7.691 0.706 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.207 9.101 0.440 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.505 9.379 1.074 1.00 0.00 C ATOM 1113 C ALA A 77 -2.504 9.837 0.033 1.00 0.00 C ATOM 1114 O ALA A 77 -3.680 9.523 0.109 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.371 10.426 2.173 1.00 0.00 C ATOM 0 H ALA A 77 0.562 9.673 0.788 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.862 8.457 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.347 10.609 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.682 10.065 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.988 11.353 1.747 1.00 0.00 H new ATOM 1121 N THR A 78 -2.004 10.552 -0.955 1.00 0.00 N ATOM 1122 CA THR A 78 -2.798 11.001 -2.060 1.00 0.00 C ATOM 1123 C THR A 78 -3.288 9.801 -2.897 1.00 0.00 C ATOM 1124 O THR A 78 -4.463 9.713 -3.239 1.00 0.00 O ATOM 1125 CB THR A 78 -1.990 11.990 -2.933 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.666 13.153 -2.158 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.757 12.392 -4.179 1.00 0.00 C ATOM 0 H THR A 78 -1.025 10.835 -1.005 1.00 0.00 H new ATOM 0 HA THR A 78 -3.674 11.522 -1.673 1.00 0.00 H new ATOM 0 HB THR A 78 -1.076 11.493 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.906 12.954 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.158 13.087 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.973 11.505 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.692 12.873 -3.891 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.399 8.869 -3.175 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.737 7.673 -3.954 1.00 0.00 C ATOM 1137 C VAL A 79 -3.823 6.862 -3.247 1.00 0.00 C ATOM 1138 O VAL A 79 -4.866 6.590 -3.823 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.509 6.765 -4.198 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.873 5.605 -5.096 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.369 7.559 -4.783 1.00 0.00 C ATOM 0 H VAL A 79 -1.425 8.909 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.100 8.022 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.185 6.362 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.995 4.979 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.660 5.015 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.227 5.984 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.485 6.902 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.679 7.995 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.088 8.354 -4.093 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.592 6.553 -1.979 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.542 5.778 -1.157 1.00 0.00 C ATOM 1153 C LEU A 80 -5.817 6.593 -0.811 1.00 0.00 C ATOM 1154 O LEU A 80 -6.703 6.124 -0.106 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.868 5.240 0.135 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.830 4.086 -0.009 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.406 2.927 -0.774 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.529 4.535 -0.647 1.00 0.00 C ATOM 0 H LEU A 80 -2.745 6.827 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.852 4.925 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.371 6.077 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.656 4.899 0.806 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.598 3.764 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.658 2.139 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.281 2.543 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.697 3.258 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.848 3.687 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.729 4.926 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.074 5.315 -0.036 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.862 7.809 -1.285 1.00 0.00 N ATOM 1171 CA ARG A 81 -7.012 8.689 -1.159 1.00 0.00 C ATOM 1172 C ARG A 81 -7.791 8.674 -2.463 1.00 0.00 C ATOM 1173 O ARG A 81 -9.020 8.687 -2.483 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.505 10.087 -0.950 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.554 11.165 -0.917 1.00 0.00 C ATOM 1176 CD ARG A 81 -6.892 12.472 -1.224 1.00 0.00 C ATOM 1177 NE ARG A 81 -5.785 12.752 -0.282 1.00 0.00 N ATOM 1178 CZ ARG A 81 -4.732 13.556 -0.520 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -4.698 14.326 -1.610 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -3.742 13.614 0.364 1.00 0.00 N ATOM 0 H ARG A 81 -5.082 8.235 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.644 8.365 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.951 10.116 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.797 10.319 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.337 10.955 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.031 11.201 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.508 12.456 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.627 13.275 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.824 12.295 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.474 14.308 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.896 14.932 -1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.784 13.052 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.940 14.220 0.192 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.043 8.629 -3.553 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.581 8.697 -4.910 1.00 0.00 C ATOM 1196 C ASN A 82 -8.239 7.395 -5.330 1.00 0.00 C ATOM 1197 O ASN A 82 -8.898 7.328 -6.358 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.485 9.056 -5.935 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.112 10.529 -6.033 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.085 11.231 -4.943 1.00 0.00 O flip ATOM 1201 ND2 ASN A 82 -5.774 11.005 -7.116 1.00 0.00 N flip ATOM 0 H ASN A 82 -6.027 8.543 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.336 9.483 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.586 8.491 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.813 8.719 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.805 10.430 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.463 11.975 -7.172 1.00 0.00 H new ATOM 1208 N THR A 83 -8.051 6.383 -4.543 1.00 0.00 N ATOM 1209 CA THR A 83 -8.565 5.075 -4.806 1.00 0.00 C ATOM 1210 C THR A 83 -10.082 4.978 -4.633 1.00 0.00 C ATOM 1211 O THR A 83 -10.716 5.824 -3.976 1.00 0.00 O ATOM 1212 CB THR A 83 -7.877 4.107 -3.873 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.797 4.726 -2.587 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.488 3.796 -4.367 1.00 0.00 C ATOM 0 H THR A 83 -7.520 6.445 -3.674 1.00 0.00 H new ATOM 0 HA THR A 83 -8.364 4.835 -5.850 1.00 0.00 H new ATOM 0 HB THR A 83 -8.439 3.174 -3.824 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.700 4.928 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.007 3.097 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.546 3.350 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.905 4.716 -4.416 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.637 3.952 -5.215 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.048 3.671 -5.160 1.00 0.00 C ATOM 1224 C LYS A 84 -12.264 2.325 -4.493 1.00 0.00 C ATOM 1225 O LYS A 84 -11.402 1.865 -3.756 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.627 3.683 -6.580 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.724 5.064 -7.197 1.00 0.00 C ATOM 1228 CD LYS A 84 -13.724 5.909 -6.440 1.00 0.00 C ATOM 1229 CE LYS A 84 -13.878 7.284 -7.060 1.00 0.00 C ATOM 1230 NZ LYS A 84 -14.919 8.076 -6.378 1.00 0.00 N ATOM 0 H LYS A 84 -10.108 3.268 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.561 4.434 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.007 3.054 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.621 3.235 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.746 5.546 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.024 4.983 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.690 5.405 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.404 6.011 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.927 7.814 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.132 7.181 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.996 9.010 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.832 7.582 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.664 8.195 -5.377 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.433 1.746 -4.699 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.745 0.442 -4.176 1.00 0.00 C ATOM 1246 C GLY A 85 -12.782 -0.631 -4.630 1.00 0.00 C ATOM 1247 O GLY A 85 -12.079 -1.214 -3.817 1.00 0.00 O ATOM 0 H GLY A 85 -14.189 2.173 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.743 0.485 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.754 0.167 -4.482 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.736 -0.890 -5.914 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.847 -1.921 -6.432 1.00 0.00 C ATOM 1253 C ASN A 86 -10.468 -1.360 -6.586 1.00 0.00 C ATOM 1254 O ASN A 86 -10.225 -0.512 -7.453 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.339 -2.498 -7.761 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.669 -3.220 -7.635 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.731 -2.614 -7.771 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.635 -4.507 -7.382 1.00 0.00 N ATOM 0 H ASN A 86 -13.295 -0.411 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.835 -2.742 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.436 -1.691 -8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.591 -3.189 -8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.505 -5.032 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.739 -4.982 -7.274 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.577 -1.789 -5.740 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.230 -1.272 -5.731 1.00 0.00 C ATOM 1267 C VAL A 87 -7.271 -2.371 -5.990 1.00 0.00 C ATOM 1268 O VAL A 87 -7.406 -3.432 -5.431 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.833 -0.720 -4.368 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.638 0.212 -4.481 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.982 -0.092 -3.657 1.00 0.00 C ATOM 0 H VAL A 87 -9.758 -2.505 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.203 -0.489 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.525 -1.564 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.377 0.591 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.790 -0.332 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.889 1.047 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.649 0.286 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.373 0.732 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.766 -0.834 -3.505 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.308 -2.123 -6.808 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.257 -3.065 -7.017 1.00 0.00 C ATOM 1283 C ARG A 88 -4.029 -2.636 -6.273 1.00 0.00 C ATOM 1284 O ARG A 88 -3.290 -1.733 -6.707 1.00 0.00 O ATOM 1285 CB ARG A 88 -5.000 -3.306 -8.494 1.00 0.00 C ATOM 1286 CG ARG A 88 -6.093 -4.131 -9.141 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.899 -4.251 -10.627 1.00 0.00 C ATOM 1288 NE ARG A 88 -6.862 -5.167 -11.229 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.703 -5.795 -12.393 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -5.596 -5.608 -13.116 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -7.653 -6.613 -12.823 1.00 0.00 N ATOM 0 H ARG A 88 -6.224 -1.264 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.566 -4.029 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.919 -2.348 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.044 -3.815 -8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.109 -5.126 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.062 -3.675 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.997 -3.267 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.887 -4.600 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.727 -5.341 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.866 -4.981 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.481 -6.092 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.494 -6.756 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.543 -7.100 -13.713 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.874 -3.219 -5.108 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.737 -2.985 -4.265 1.00 0.00 C ATOM 1307 C PHE A 89 -1.682 -3.976 -4.638 1.00 0.00 C ATOM 1308 O PHE A 89 -1.814 -5.151 -4.350 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.070 -3.206 -2.775 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.135 -2.335 -2.192 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.818 -1.106 -1.660 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.448 -2.756 -2.150 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.786 -0.307 -1.100 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.423 -1.956 -1.592 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.091 -0.731 -1.067 1.00 0.00 C ATOM 0 H PHE A 89 -4.547 -3.878 -4.718 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.415 -1.953 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.370 -4.246 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.157 -3.062 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.794 -0.764 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.715 -3.720 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.520 0.654 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.449 -2.293 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.854 -0.104 -0.630 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.681 -3.544 -5.295 1.00 0.00 N ATOM 1326 CA VAL A 90 0.397 -4.401 -5.609 1.00 0.00 C ATOM 1327 C VAL A 90 1.419 -4.171 -4.534 1.00 0.00 C ATOM 1328 O VAL A 90 2.175 -3.225 -4.572 1.00 0.00 O ATOM 1329 CB VAL A 90 1.006 -4.124 -7.010 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.157 -5.083 -7.304 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.060 -4.238 -8.088 1.00 0.00 C ATOM 0 H VAL A 90 -0.581 -2.587 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 90 0.055 -5.435 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 90 1.398 -3.107 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.566 -4.868 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.937 -4.957 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.791 -6.109 -7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.386 -4.041 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.481 -5.243 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.850 -3.512 -7.897 1.00 0.00 H new ATOM 1341 N ILE A 91 1.284 -4.912 -3.506 1.00 0.00 N ATOM 1342 CA ILE A 91 2.148 -4.871 -2.389 1.00 0.00 C ATOM 1343 C ILE A 91 3.099 -6.016 -2.482 1.00 0.00 C ATOM 1344 O ILE A 91 2.788 -7.034 -3.043 1.00 0.00 O ATOM 1345 CB ILE A 91 1.293 -4.934 -1.110 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.535 -3.628 -0.982 1.00 0.00 C ATOM 1347 CG2 ILE A 91 2.091 -5.264 0.160 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.466 -3.613 0.093 1.00 0.00 C ATOM 0 H ILE A 91 0.534 -5.597 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 91 2.730 -3.950 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 91 0.597 -5.767 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.249 -2.823 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.038 -3.416 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.417 -5.290 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.571 -6.236 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.852 -4.501 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.962 -2.642 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.205 -4.394 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.025 -3.791 1.050 1.00 0.00 H new ATOM 1360 N GLY A 92 4.242 -5.838 -1.976 1.00 0.00 N ATOM 1361 CA GLY A 92 5.200 -6.847 -2.045 1.00 0.00 C ATOM 1362 C GLY A 92 5.911 -6.957 -0.762 1.00 0.00 C ATOM 1363 O GLY A 92 6.399 -5.948 -0.231 1.00 0.00 O ATOM 0 H GLY A 92 4.542 -4.987 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.723 -7.796 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.908 -6.633 -2.845 1.00 0.00 H new ATOM 1367 N ARG A 93 5.977 -8.136 -0.249 1.00 0.00 N ATOM 1368 CA ARG A 93 6.554 -8.374 1.020 1.00 0.00 C ATOM 1369 C ARG A 93 6.968 -9.820 1.092 1.00 0.00 C ATOM 1370 O ARG A 93 6.504 -10.635 0.296 1.00 0.00 O ATOM 1371 CB ARG A 93 5.508 -8.168 2.056 1.00 0.00 C ATOM 1372 CG ARG A 93 6.089 -7.735 3.373 1.00 0.00 C ATOM 1373 CD ARG A 93 5.184 -8.090 4.474 1.00 0.00 C ATOM 1374 NE ARG A 93 5.072 -9.546 4.564 1.00 0.00 N ATOM 1375 CZ ARG A 93 3.946 -10.239 4.625 1.00 0.00 C ATOM 1376 NH1 ARG A 93 2.767 -9.629 4.679 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.015 -11.554 4.621 1.00 0.00 N ATOM 0 H ARG A 93 5.624 -8.974 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 93 7.404 -7.710 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.799 -7.416 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.949 -9.094 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.059 -8.210 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.259 -6.658 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.561 -7.685 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.201 -7.649 4.308 1.00 0.00 H new ATOM 0 HE ARG A 93 5.943 -10.077 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.719 -8.610 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.910 -10.180 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.923 -12.017 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.161 -12.110 4.667 1.00 0.00 H new ATOM 1391 N GLU A 94 7.814 -10.134 2.007 1.00 0.00 N ATOM 1392 CA GLU A 94 8.218 -11.478 2.250 1.00 0.00 C ATOM 1393 C GLU A 94 7.349 -12.075 3.351 1.00 0.00 C ATOM 1394 O GLU A 94 6.803 -13.177 3.163 1.00 0.00 O ATOM 1395 CB GLU A 94 9.740 -11.593 2.544 1.00 0.00 C ATOM 1396 CG GLU A 94 10.284 -10.755 3.697 1.00 0.00 C ATOM 1397 CD GLU A 94 10.261 -9.264 3.433 1.00 0.00 C ATOM 1398 OE1 GLU A 94 9.250 -8.610 3.748 1.00 0.00 O ATOM 1399 OE2 GLU A 94 11.242 -8.726 2.905 1.00 0.00 O ATOM 0 H GLU A 94 8.256 -9.451 2.622 1.00 0.00 H new ATOM 0 HA GLU A 94 8.064 -12.063 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.968 -12.639 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.282 -11.318 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.700 -10.965 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.309 -11.062 3.905 1.00 0.00 H new