USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -5.94! C(o=-12!,f=-17!) USER MOD Set 1.2: A 32 GLN : amide:sc= -6.38! C(o=-12!,f=-18!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.0223 K(o=-2.4,f=-3.8) USER MOD Set 2.2: A 28 TYR OH : rot 180:sc= -2.42 USER MOD Single : A 5 LYS NZ :NH3+ -124:sc= -0.015 (180deg=-0.288) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.151) USER MOD Single : A 55 MET CE :methyl 149:sc= -18.9! (180deg=-23.3!) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.0457 (180deg=-0.344) USER MOD Single : A 60 MET CE :methyl -113:sc= -3.35! (180deg=-5.61!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 161:sc= -0.208 (180deg=-1.23) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.708 K(o=-0.71,f=-3.7!) USER MOD Single : A 81 MET CE :methyl -175:sc= -13.9! (180deg=-14.3!) USER MOD Single : A 82 THR OG1 : rot -143:sc= -0.0361 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -165:sc= -6.33! (180deg=-7.32!) USER MOD Single : A 91 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.5!) USER MOD Single : A 93 SER OG : rot -92:sc= 1.21 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 101 HIS :FLIP no HE2:sc= -6.48! C(o=-7.8!,f=-6.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.343 -9.918 11.252 1.00 0.00 N ATOM 50 CA GLU A 4 -4.210 -9.046 10.098 1.00 0.00 C ATOM 51 C GLU A 4 -2.933 -8.210 10.209 1.00 0.00 C ATOM 52 O GLU A 4 -2.381 -8.055 11.297 1.00 0.00 O ATOM 53 CB GLU A 4 -5.440 -8.149 9.943 1.00 0.00 C ATOM 54 CG GLU A 4 -6.222 -8.505 8.677 1.00 0.00 C ATOM 55 CD GLU A 4 -7.730 -8.483 8.939 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.297 -7.370 8.893 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.280 -9.579 9.180 1.00 0.00 O ATOM 0 HA GLU A 4 -4.139 -9.667 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.085 -8.256 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.130 -7.105 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.977 -7.799 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.924 -9.494 8.327 1.00 0.00 H new ATOM 64 N LYS A 5 -2.501 -7.693 9.068 1.00 0.00 N ATOM 65 CA LYS A 5 -1.300 -6.877 9.023 1.00 0.00 C ATOM 66 C LYS A 5 -1.463 -5.795 7.954 1.00 0.00 C ATOM 67 O LYS A 5 -2.302 -5.919 7.064 1.00 0.00 O ATOM 68 CB LYS A 5 -0.062 -7.756 8.826 1.00 0.00 C ATOM 69 CG LYS A 5 0.362 -8.409 10.142 1.00 0.00 C ATOM 70 CD LYS A 5 -0.184 -9.834 10.249 1.00 0.00 C ATOM 71 CE LYS A 5 0.744 -10.830 9.550 1.00 0.00 C ATOM 72 NZ LYS A 5 0.011 -12.069 9.208 1.00 0.00 N ATOM 0 H LYS A 5 -2.962 -7.824 8.167 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.151 -6.365 9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.273 -8.527 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.758 -7.153 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.450 -8.427 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.001 -7.814 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.293 -10.108 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.177 -9.881 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.153 -10.381 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.588 -11.067 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.497 -12.887 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.958 -12.013 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.021 -12.179 8.174 1.00 0.00 H new ATOM 86 N ILE A 6 -0.646 -4.759 8.077 1.00 0.00 N ATOM 87 CA ILE A 6 -0.690 -3.655 7.133 1.00 0.00 C ATOM 88 C ILE A 6 0.571 -2.804 7.292 1.00 0.00 C ATOM 89 O ILE A 6 1.105 -2.678 8.393 1.00 0.00 O ATOM 90 CB ILE A 6 -1.990 -2.865 7.292 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.008 -3.263 6.221 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.719 -1.359 7.293 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.276 -3.837 6.858 1.00 0.00 C ATOM 0 H ILE A 6 0.050 -4.661 8.816 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.696 -4.029 6.109 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.426 -3.115 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.262 -2.394 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.567 -4.001 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.660 -0.820 7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.055 -1.109 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.249 -1.073 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.984 -4.112 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.021 -4.720 7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.727 -3.088 7.509 1.00 0.00 H new ATOM 105 N LEU A 7 1.011 -2.241 6.176 1.00 0.00 N ATOM 106 CA LEU A 7 2.200 -1.405 6.177 1.00 0.00 C ATOM 107 C LEU A 7 1.923 -0.131 5.376 1.00 0.00 C ATOM 108 O LEU A 7 1.211 -0.166 4.374 1.00 0.00 O ATOM 109 CB LEU A 7 3.411 -2.195 5.677 1.00 0.00 C ATOM 110 CG LEU A 7 4.666 -2.122 6.550 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.772 -3.346 7.461 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.919 -1.934 5.693 1.00 0.00 C ATOM 0 H LEU A 7 0.565 -2.347 5.265 1.00 0.00 H new ATOM 0 HA LEU A 7 2.448 -1.096 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.122 -3.241 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.665 -1.839 4.679 1.00 0.00 H new ATOM 0 HG LEU A 7 4.583 -1.247 7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.672 -3.269 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.897 -3.393 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.822 -4.249 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.797 -1.885 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.019 -2.774 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.835 -1.008 5.124 1.00 0.00 H new ATOM 124 N ILE A 8 2.500 0.964 5.849 1.00 0.00 N ATOM 125 CA ILE A 8 2.325 2.247 5.189 1.00 0.00 C ATOM 126 C ILE A 8 3.672 2.722 4.642 1.00 0.00 C ATOM 127 O ILE A 8 4.538 3.151 5.402 1.00 0.00 O ATOM 128 CB ILE A 8 1.656 3.248 6.133 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.288 2.740 6.592 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.568 4.633 5.490 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.087 3.327 7.954 1.00 0.00 C ATOM 0 H ILE A 8 3.089 0.989 6.681 1.00 0.00 H new ATOM 0 HA ILE A 8 1.652 2.149 4.337 1.00 0.00 H new ATOM 0 HB ILE A 8 2.277 3.346 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.469 3.009 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.302 1.652 6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.088 5.326 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.571 4.990 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.982 4.572 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.064 2.949 8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.659 3.036 8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.124 4.414 7.884 1.00 0.00 H new ATOM 143 N VAL A 9 3.806 2.630 3.327 1.00 0.00 N ATOM 144 CA VAL A 9 5.033 3.046 2.669 1.00 0.00 C ATOM 145 C VAL A 9 4.804 4.389 1.972 1.00 0.00 C ATOM 146 O VAL A 9 3.897 4.519 1.151 1.00 0.00 O ATOM 147 CB VAL A 9 5.512 1.951 1.713 1.00 0.00 C ATOM 148 CG1 VAL A 9 6.967 2.181 1.301 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.330 0.564 2.334 1.00 0.00 C ATOM 0 H VAL A 9 3.085 2.274 2.700 1.00 0.00 H new ATOM 0 HA VAL A 9 5.828 3.191 3.401 1.00 0.00 H new ATOM 0 HB VAL A 9 4.898 1.999 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.282 1.389 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.055 3.145 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.602 2.173 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.678 -0.196 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.907 0.500 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.275 0.399 2.554 1.00 0.00 H new ATOM 159 N ASP A 10 5.641 5.353 2.325 1.00 0.00 N ATOM 160 CA ASP A 10 5.540 6.681 1.744 1.00 0.00 C ATOM 161 C ASP A 10 4.080 7.136 1.772 1.00 0.00 C ATOM 162 O ASP A 10 3.223 6.450 2.327 1.00 0.00 O ATOM 163 CB ASP A 10 6.007 6.681 0.287 1.00 0.00 C ATOM 164 CG ASP A 10 7.386 6.064 0.049 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.306 6.417 0.818 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.490 5.252 -0.895 1.00 0.00 O ATOM 0 H ASP A 10 6.392 5.241 3.006 1.00 0.00 H new ATOM 0 HA ASP A 10 6.172 7.352 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.275 6.140 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.018 7.709 -0.075 1.00 0.00 H new ATOM 171 N ASP A 11 3.841 8.291 1.167 1.00 0.00 N ATOM 172 CA ASP A 11 2.499 8.846 1.117 1.00 0.00 C ATOM 173 C ASP A 11 2.043 9.196 2.534 1.00 0.00 C ATOM 174 O ASP A 11 0.879 9.529 2.751 1.00 0.00 O ATOM 175 CB ASP A 11 1.507 7.836 0.536 1.00 0.00 C ATOM 176 CG ASP A 11 0.220 8.444 -0.025 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.307 9.047 -1.117 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.821 8.291 0.650 1.00 0.00 O ATOM 0 H ASP A 11 4.554 8.857 0.708 1.00 0.00 H new ATOM 0 HA ASP A 11 2.524 9.732 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.003 7.277 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.244 7.119 1.314 1.00 0.00 H new ATOM 183 N GLN A 12 2.984 9.108 3.463 1.00 0.00 N ATOM 184 CA GLN A 12 2.693 9.411 4.854 1.00 0.00 C ATOM 185 C GLN A 12 2.647 10.926 5.069 1.00 0.00 C ATOM 186 O GLN A 12 3.681 11.592 5.039 1.00 0.00 O ATOM 187 CB GLN A 12 3.716 8.756 5.784 1.00 0.00 C ATOM 188 CG GLN A 12 5.137 8.930 5.244 1.00 0.00 C ATOM 189 CD GLN A 12 6.123 9.216 6.379 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.122 8.538 6.554 1.00 0.00 O ATOM 191 NE2 GLN A 12 5.788 10.256 7.138 1.00 0.00 N ATOM 0 H GLN A 12 3.948 8.831 3.279 1.00 0.00 H new ATOM 0 HA GLN A 12 1.714 8.999 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.644 9.197 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.490 7.695 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.441 8.028 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.159 9.748 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.937 10.781 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.382 10.528 7.921 1.00 0.00 H new ATOM 200 N TYR A 13 1.438 11.425 5.281 1.00 0.00 N ATOM 201 CA TYR A 13 1.245 12.848 5.501 1.00 0.00 C ATOM 202 C TYR A 13 0.154 13.098 6.544 1.00 0.00 C ATOM 203 O TYR A 13 -0.508 14.135 6.519 1.00 0.00 O ATOM 204 CB TYR A 13 0.791 13.424 4.158 1.00 0.00 C ATOM 205 CG TYR A 13 1.471 14.743 3.784 1.00 0.00 C ATOM 206 CD1 TYR A 13 1.211 15.884 4.515 1.00 0.00 C ATOM 207 CD2 TYR A 13 2.345 14.790 2.717 1.00 0.00 C ATOM 208 CE1 TYR A 13 1.851 17.125 4.163 1.00 0.00 C ATOM 209 CE2 TYR A 13 2.985 16.031 2.366 1.00 0.00 C ATOM 210 CZ TYR A 13 2.706 17.138 3.106 1.00 0.00 C ATOM 211 OH TYR A 13 3.311 18.310 2.774 1.00 0.00 O ATOM 0 H TYR A 13 0.583 10.869 5.305 1.00 0.00 H new ATOM 0 HA TYR A 13 2.164 13.309 5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.987 12.691 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.288 13.579 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.528 15.846 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.549 13.896 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.656 18.026 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.671 16.082 1.534 1.00 0.00 H new ATOM 0 HH TYR A 13 3.895 18.169 2.000 1.00 0.00 H new ATOM 221 N GLY A 14 0.001 12.131 7.437 1.00 0.00 N ATOM 222 CA GLY A 14 -0.997 12.234 8.488 1.00 0.00 C ATOM 223 C GLY A 14 -2.211 11.355 8.178 1.00 0.00 C ATOM 224 O GLY A 14 -3.074 11.159 9.032 1.00 0.00 O ATOM 0 H GLY A 14 0.552 11.273 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.560 11.934 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.312 13.272 8.595 1.00 0.00 H new ATOM 228 N ILE A 15 -2.238 10.848 6.954 1.00 0.00 N ATOM 229 CA ILE A 15 -3.331 9.995 6.521 1.00 0.00 C ATOM 230 C ILE A 15 -3.097 8.573 7.036 1.00 0.00 C ATOM 231 O ILE A 15 -4.042 7.881 7.410 1.00 0.00 O ATOM 232 CB ILE A 15 -3.507 10.078 5.003 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.553 11.534 4.536 1.00 0.00 C ATOM 234 CG2 ILE A 15 -4.738 9.291 4.550 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.380 11.848 3.604 1.00 0.00 C ATOM 0 H ILE A 15 -1.520 11.012 6.248 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.274 10.338 6.947 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.639 9.616 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.494 11.724 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.524 12.198 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.840 9.366 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.625 8.244 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.628 9.701 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.436 12.889 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.441 11.680 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.426 11.199 2.730 1.00 0.00 H new ATOM 247 N ARG A 16 -1.832 8.179 7.039 1.00 0.00 N ATOM 248 CA ARG A 16 -1.461 6.853 7.502 1.00 0.00 C ATOM 249 C ARG A 16 -2.123 6.557 8.849 1.00 0.00 C ATOM 250 O ARG A 16 -2.604 5.448 9.078 1.00 0.00 O ATOM 251 CB ARG A 16 0.056 6.724 7.647 1.00 0.00 C ATOM 252 CG ARG A 16 0.638 7.919 8.404 1.00 0.00 C ATOM 253 CD ARG A 16 2.122 7.705 8.710 1.00 0.00 C ATOM 254 NE ARG A 16 2.309 7.449 10.156 1.00 0.00 N ATOM 255 CZ ARG A 16 2.293 6.230 10.711 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.098 5.147 9.946 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.471 6.093 12.032 1.00 0.00 N ATOM 0 H ARG A 16 -1.050 8.756 6.728 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.805 6.134 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.297 5.802 8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.515 6.655 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.512 8.825 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.089 8.067 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.504 6.864 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.694 8.583 8.411 1.00 0.00 H new ATOM 0 HE ARG A 16 2.459 8.251 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.962 5.251 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.086 4.219 10.369 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.619 6.917 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.459 5.165 12.455 1.00 0.00 H new ATOM 271 N ILE A 17 -2.126 7.568 9.706 1.00 0.00 N ATOM 272 CA ILE A 17 -2.720 7.430 11.024 1.00 0.00 C ATOM 273 C ILE A 17 -4.228 7.212 10.879 1.00 0.00 C ATOM 274 O ILE A 17 -4.794 6.325 11.516 1.00 0.00 O ATOM 275 CB ILE A 17 -2.354 8.626 11.905 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.838 8.733 12.082 1.00 0.00 C ATOM 277 CG2 ILE A 17 -3.085 8.563 13.247 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.397 10.195 12.163 1.00 0.00 C ATOM 0 H ILE A 17 -1.726 8.486 9.513 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.318 6.554 11.533 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.684 9.535 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.536 8.208 12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.336 8.244 11.248 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.807 9.425 13.854 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.161 8.572 13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.808 7.647 13.769 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.685 10.242 12.289 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.679 10.711 11.245 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.882 10.675 13.013 1.00 0.00 H new ATOM 290 N LEU A 18 -4.834 8.036 10.037 1.00 0.00 N ATOM 291 CA LEU A 18 -6.265 7.944 9.800 1.00 0.00 C ATOM 292 C LEU A 18 -6.655 6.476 9.623 1.00 0.00 C ATOM 293 O LEU A 18 -7.507 5.964 10.349 1.00 0.00 O ATOM 294 CB LEU A 18 -6.671 8.834 8.623 1.00 0.00 C ATOM 295 CG LEU A 18 -8.126 9.307 8.611 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.255 10.700 9.230 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.709 9.251 7.197 1.00 0.00 C ATOM 0 H LEU A 18 -4.361 8.770 9.511 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.819 8.320 10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.024 9.711 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.479 8.290 7.698 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.712 8.626 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.299 11.012 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.905 10.673 10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.653 11.408 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.744 9.592 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.127 9.895 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.672 8.226 6.828 1.00 0.00 H new ATOM 309 N LEU A 19 -6.013 5.838 8.655 1.00 0.00 N ATOM 310 CA LEU A 19 -6.283 4.438 8.374 1.00 0.00 C ATOM 311 C LEU A 19 -5.690 3.575 9.489 1.00 0.00 C ATOM 312 O LEU A 19 -6.130 2.448 9.708 1.00 0.00 O ATOM 313 CB LEU A 19 -5.783 4.066 6.977 1.00 0.00 C ATOM 314 CG LEU A 19 -4.293 3.734 6.864 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.087 2.289 6.408 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.577 4.731 5.950 1.00 0.00 C ATOM 0 H LEU A 19 -5.307 6.265 8.056 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.357 4.252 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.354 3.207 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.003 4.893 6.302 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.846 3.826 7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.020 2.079 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.542 1.611 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.552 2.145 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.520 4.473 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.019 4.695 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.681 5.737 6.357 1.00 0.00 H new ATOM 328 N ASN A 20 -4.699 4.138 10.166 1.00 0.00 N ATOM 329 CA ASN A 20 -4.041 3.434 11.253 1.00 0.00 C ATOM 330 C ASN A 20 -5.055 3.162 12.366 1.00 0.00 C ATOM 331 O ASN A 20 -5.347 2.008 12.676 1.00 0.00 O ATOM 332 CB ASN A 20 -2.905 4.271 11.844 1.00 0.00 C ATOM 333 CG ASN A 20 -2.042 3.435 12.791 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.248 2.246 12.973 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.068 4.120 13.382 1.00 0.00 N ATOM 0 H ASN A 20 -4.336 5.073 9.982 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.635 2.504 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.287 4.670 11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.319 5.124 12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.437 3.652 14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.951 5.114 13.185 1.00 0.00 H new ATOM 342 N GLU A 21 -5.564 4.244 12.937 1.00 0.00 N ATOM 343 CA GLU A 21 -6.539 4.136 14.009 1.00 0.00 C ATOM 344 C GLU A 21 -7.745 3.314 13.549 1.00 0.00 C ATOM 345 O GLU A 21 -8.452 2.730 14.368 1.00 0.00 O ATOM 346 CB GLU A 21 -6.973 5.519 14.497 1.00 0.00 C ATOM 347 CG GLU A 21 -8.219 5.424 15.380 1.00 0.00 C ATOM 348 CD GLU A 21 -8.680 6.812 15.830 1.00 0.00 C ATOM 349 OE1 GLU A 21 -9.196 7.548 14.961 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.505 7.106 17.032 1.00 0.00 O ATOM 0 H GLU A 21 -5.320 5.200 12.677 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.071 3.621 14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.161 5.982 15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.178 6.163 13.641 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.021 4.931 14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.004 4.808 16.253 1.00 0.00 H new ATOM 357 N VAL A 22 -7.943 3.296 12.239 1.00 0.00 N ATOM 358 CA VAL A 22 -9.052 2.556 11.660 1.00 0.00 C ATOM 359 C VAL A 22 -8.823 1.058 11.869 1.00 0.00 C ATOM 360 O VAL A 22 -9.709 0.352 12.350 1.00 0.00 O ATOM 361 CB VAL A 22 -9.221 2.935 10.187 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.941 1.827 9.415 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.957 4.269 10.046 1.00 0.00 C ATOM 0 H VAL A 22 -7.355 3.782 11.562 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.986 2.815 12.158 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.227 3.053 9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.048 2.122 8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.361 0.906 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.927 1.663 9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.064 4.516 8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.944 4.190 10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.388 5.053 10.546 1.00 0.00 H new ATOM 373 N PHE A 23 -7.631 0.616 11.497 1.00 0.00 N ATOM 374 CA PHE A 23 -7.275 -0.786 11.638 1.00 0.00 C ATOM 375 C PHE A 23 -6.718 -1.073 13.034 1.00 0.00 C ATOM 376 O PHE A 23 -6.840 -2.188 13.538 1.00 0.00 O ATOM 377 CB PHE A 23 -6.191 -1.079 10.599 1.00 0.00 C ATOM 378 CG PHE A 23 -6.736 -1.419 9.211 1.00 0.00 C ATOM 379 CD1 PHE A 23 -7.255 -2.653 8.967 1.00 0.00 C ATOM 380 CD2 PHE A 23 -6.701 -0.488 8.220 1.00 0.00 C ATOM 381 CE1 PHE A 23 -7.760 -2.968 7.678 1.00 0.00 C ATOM 382 CE2 PHE A 23 -7.207 -0.804 6.931 1.00 0.00 C ATOM 383 CZ PHE A 23 -7.726 -2.037 6.687 1.00 0.00 C ATOM 0 H PHE A 23 -6.899 1.204 11.098 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.157 -1.410 11.493 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.535 -0.212 10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.579 -1.909 10.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.283 -3.393 9.754 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.289 0.491 8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.171 -3.948 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.180 -0.065 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.111 -2.277 5.707 1.00 0.00 H new ATOM 393 N ASN A 24 -6.118 -0.046 13.619 1.00 0.00 N ATOM 394 CA ASN A 24 -5.541 -0.174 14.947 1.00 0.00 C ATOM 395 C ASN A 24 -6.561 -0.829 15.880 1.00 0.00 C ATOM 396 O ASN A 24 -6.196 -1.631 16.739 1.00 0.00 O ATOM 397 CB ASN A 24 -5.183 1.197 15.525 1.00 0.00 C ATOM 398 CG ASN A 24 -4.057 1.080 16.555 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.888 0.967 16.224 1.00 0.00 O ATOM 400 ND2 ASN A 24 -4.473 1.113 17.818 1.00 0.00 N ATOM 0 H ASN A 24 -6.019 0.878 13.198 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.638 -0.779 14.866 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.877 1.866 14.721 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.063 1.640 15.991 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.798 1.042 18.579 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.467 1.210 18.025 1.00 0.00 H new ATOM 407 N LYS A 25 -7.819 -0.464 15.680 1.00 0.00 N ATOM 408 CA LYS A 25 -8.894 -1.007 16.493 1.00 0.00 C ATOM 409 C LYS A 25 -8.811 -2.535 16.486 1.00 0.00 C ATOM 410 O LYS A 25 -9.361 -3.194 17.367 1.00 0.00 O ATOM 411 CB LYS A 25 -10.245 -0.462 16.027 1.00 0.00 C ATOM 412 CG LYS A 25 -10.312 1.057 16.199 1.00 0.00 C ATOM 413 CD LYS A 25 -11.370 1.667 15.276 1.00 0.00 C ATOM 414 CE LYS A 25 -12.715 1.793 15.993 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.269 3.155 15.820 1.00 0.00 N ATOM 0 H LYS A 25 -8.118 0.201 14.967 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.788 -0.687 17.529 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.404 -0.720 14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.047 -0.932 16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.545 1.299 17.236 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.338 1.495 15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.040 2.650 14.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.484 1.046 14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.415 1.056 15.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.590 1.577 17.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.182 3.224 16.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.608 3.852 16.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.407 3.348 14.807 1.00 0.00 H new ATOM 429 N GLU A 26 -8.121 -3.054 15.481 1.00 0.00 N ATOM 430 CA GLU A 26 -7.960 -4.492 15.347 1.00 0.00 C ATOM 431 C GLU A 26 -6.728 -4.962 16.123 1.00 0.00 C ATOM 432 O GLU A 26 -6.633 -6.130 16.495 1.00 0.00 O ATOM 433 CB GLU A 26 -7.869 -4.899 13.875 1.00 0.00 C ATOM 434 CG GLU A 26 -9.157 -4.545 13.128 1.00 0.00 C ATOM 435 CD GLU A 26 -9.400 -5.512 11.967 1.00 0.00 C ATOM 436 OE1 GLU A 26 -8.802 -6.609 12.007 1.00 0.00 O ATOM 437 OE2 GLU A 26 -10.178 -5.131 11.066 1.00 0.00 O ATOM 0 H GLU A 26 -7.667 -2.504 14.752 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.839 -4.978 15.770 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.023 -4.396 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.684 -5.971 13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.002 -4.578 13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.094 -3.525 12.749 1.00 0.00 H new ATOM 444 N GLY A 27 -5.815 -4.027 16.344 1.00 0.00 N ATOM 445 CA GLY A 27 -4.592 -4.332 17.069 1.00 0.00 C ATOM 446 C GLY A 27 -3.524 -4.894 16.130 1.00 0.00 C ATOM 447 O GLY A 27 -2.502 -5.408 16.583 1.00 0.00 O ATOM 0 H GLY A 27 -5.897 -3.059 16.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.217 -3.430 17.553 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.803 -5.053 17.858 1.00 0.00 H new ATOM 451 N TYR A 28 -3.796 -4.778 14.838 1.00 0.00 N ATOM 452 CA TYR A 28 -2.870 -5.268 13.831 1.00 0.00 C ATOM 453 C TYR A 28 -1.554 -4.488 13.869 1.00 0.00 C ATOM 454 O TYR A 28 -1.539 -3.307 14.212 1.00 0.00 O ATOM 455 CB TYR A 28 -3.551 -5.031 12.482 1.00 0.00 C ATOM 456 CG TYR A 28 -3.512 -3.575 12.012 1.00 0.00 C ATOM 457 CD1 TYR A 28 -3.570 -2.551 12.935 1.00 0.00 C ATOM 458 CD2 TYR A 28 -3.419 -3.287 10.666 1.00 0.00 C ATOM 459 CE1 TYR A 28 -3.534 -1.181 12.493 1.00 0.00 C ATOM 460 CE2 TYR A 28 -3.383 -1.917 10.224 1.00 0.00 C ATOM 461 CZ TYR A 28 -3.442 -0.932 11.160 1.00 0.00 C ATOM 462 OH TYR A 28 -3.407 0.362 10.742 1.00 0.00 O ATOM 0 H TYR A 28 -4.645 -4.352 14.466 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.637 -6.319 14.003 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.072 -5.658 11.730 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.590 -5.352 12.550 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.642 -2.777 13.989 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.373 -4.089 9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.579 -0.370 13.205 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.311 -1.677 9.173 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.339 0.388 9.765 1.00 0.00 H new ATOM 472 N GLN A 29 -0.483 -5.180 13.512 1.00 0.00 N ATOM 473 CA GLN A 29 0.835 -4.567 13.502 1.00 0.00 C ATOM 474 C GLN A 29 1.023 -3.736 12.231 1.00 0.00 C ATOM 475 O GLN A 29 0.764 -4.214 11.128 1.00 0.00 O ATOM 476 CB GLN A 29 1.933 -5.624 13.633 1.00 0.00 C ATOM 477 CG GLN A 29 2.962 -5.217 14.689 1.00 0.00 C ATOM 478 CD GLN A 29 3.889 -6.386 15.030 1.00 0.00 C ATOM 479 OE1 GLN A 29 4.112 -7.287 14.239 1.00 0.00 O ATOM 480 NE2 GLN A 29 4.414 -6.321 16.251 1.00 0.00 N ATOM 0 H GLN A 29 -0.500 -6.159 13.227 1.00 0.00 H new ATOM 0 HA GLN A 29 0.912 -3.903 14.363 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.490 -6.583 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.428 -5.761 12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.551 -4.376 14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.450 -4.879 15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.185 -5.538 16.863 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.045 -7.054 16.574 1.00 0.00 H new ATOM 489 N THR A 30 1.472 -2.505 12.428 1.00 0.00 N ATOM 490 CA THR A 30 1.698 -1.603 11.311 1.00 0.00 C ATOM 491 C THR A 30 3.151 -1.123 11.299 1.00 0.00 C ATOM 492 O THR A 30 3.835 -1.178 12.319 1.00 0.00 O ATOM 493 CB THR A 30 0.683 -0.463 11.412 1.00 0.00 C ATOM 494 OG1 THR A 30 0.930 0.110 12.693 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.759 -0.968 11.502 1.00 0.00 C ATOM 0 H THR A 30 1.685 -2.111 13.344 1.00 0.00 H new ATOM 0 HA THR A 30 1.547 -2.109 10.357 1.00 0.00 H new ATOM 0 HB THR A 30 0.785 0.191 10.546 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.316 0.859 12.840 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.438 -0.118 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.997 -1.551 10.612 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.870 -1.595 12.387 1.00 0.00 H new ATOM 503 N PHE A 31 3.578 -0.664 10.132 1.00 0.00 N ATOM 504 CA PHE A 31 4.937 -0.175 9.972 1.00 0.00 C ATOM 505 C PHE A 31 5.022 0.852 8.842 1.00 0.00 C ATOM 506 O PHE A 31 4.251 0.793 7.885 1.00 0.00 O ATOM 507 CB PHE A 31 5.808 -1.382 9.615 1.00 0.00 C ATOM 508 CG PHE A 31 7.125 -1.451 10.390 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.086 -0.511 10.183 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.334 -2.452 11.287 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.308 -0.575 10.903 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.557 -2.516 12.007 1.00 0.00 C ATOM 513 CZ PHE A 31 9.518 -1.576 11.800 1.00 0.00 C ATOM 0 H PHE A 31 3.007 -0.620 9.288 1.00 0.00 H new ATOM 0 HA PHE A 31 5.268 0.309 10.891 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.241 -2.294 9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.028 -1.355 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.920 0.284 9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.570 -3.198 11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.071 0.171 10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.724 -3.311 12.719 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.448 -1.624 12.348 1.00 0.00 H new ATOM 523 N GLN A 32 5.965 1.770 8.989 1.00 0.00 N ATOM 524 CA GLN A 32 6.160 2.809 7.992 1.00 0.00 C ATOM 525 C GLN A 32 7.566 2.716 7.396 1.00 0.00 C ATOM 526 O GLN A 32 8.536 2.483 8.116 1.00 0.00 O ATOM 527 CB GLN A 32 5.910 4.196 8.589 1.00 0.00 C ATOM 528 CG GLN A 32 6.783 5.252 7.909 1.00 0.00 C ATOM 529 CD GLN A 32 6.162 6.644 8.040 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.160 6.966 7.424 1.00 0.00 O ATOM 531 NE2 GLN A 32 6.812 7.449 8.876 1.00 0.00 N ATOM 0 H GLN A 32 6.603 1.816 9.784 1.00 0.00 H new ATOM 0 HA GLN A 32 5.436 2.657 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.859 4.460 8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.121 4.179 9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.777 5.250 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.907 5.003 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.646 7.116 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.477 8.400 9.033 1.00 0.00 H new ATOM 540 N ALA A 33 7.632 2.902 6.086 1.00 0.00 N ATOM 541 CA ALA A 33 8.903 2.841 5.384 1.00 0.00 C ATOM 542 C ALA A 33 9.052 4.080 4.499 1.00 0.00 C ATOM 543 O ALA A 33 8.074 4.775 4.229 1.00 0.00 O ATOM 544 CB ALA A 33 8.983 1.539 4.584 1.00 0.00 C ATOM 0 H ALA A 33 6.826 3.095 5.492 1.00 0.00 H new ATOM 0 HA ALA A 33 9.732 2.840 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.936 1.493 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.902 0.690 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.168 1.505 3.861 1.00 0.00 H new ATOM 550 N ALA A 34 10.283 4.318 4.071 1.00 0.00 N ATOM 551 CA ALA A 34 10.572 5.461 3.222 1.00 0.00 C ATOM 552 C ALA A 34 11.277 4.981 1.951 1.00 0.00 C ATOM 553 O ALA A 34 12.252 5.589 1.511 1.00 0.00 O ATOM 554 CB ALA A 34 11.406 6.479 4.002 1.00 0.00 C ATOM 0 H ALA A 34 11.092 3.739 4.296 1.00 0.00 H new ATOM 0 HA ALA A 34 9.650 5.958 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.623 7.336 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.849 6.810 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.341 6.017 4.319 1.00 0.00 H new ATOM 560 N ASN A 35 10.757 3.895 1.398 1.00 0.00 N ATOM 561 CA ASN A 35 11.324 3.327 0.187 1.00 0.00 C ATOM 562 C ASN A 35 10.703 1.952 -0.066 1.00 0.00 C ATOM 563 O ASN A 35 9.780 1.545 0.638 1.00 0.00 O ATOM 564 CB ASN A 35 12.838 3.144 0.321 1.00 0.00 C ATOM 565 CG ASN A 35 13.588 4.051 -0.656 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.232 4.187 -1.815 1.00 0.00 O ATOM 567 ND2 ASN A 35 14.644 4.661 -0.126 1.00 0.00 N ATOM 0 H ASN A 35 9.949 3.393 1.767 1.00 0.00 H new ATOM 0 HA ASN A 35 11.114 4.010 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.146 3.369 1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.100 2.103 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.211 5.287 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.887 4.503 0.852 1.00 0.00 H new ATOM 574 N GLY A 36 11.234 1.274 -1.073 1.00 0.00 N ATOM 575 CA GLY A 36 10.742 -0.046 -1.427 1.00 0.00 C ATOM 576 C GLY A 36 11.587 -1.140 -0.771 1.00 0.00 C ATOM 577 O GLY A 36 11.051 -2.127 -0.270 1.00 0.00 O ATOM 0 H GLY A 36 12.000 1.614 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.703 -0.147 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.761 -0.167 -2.510 1.00 0.00 H new ATOM 581 N LEU A 37 12.895 -0.927 -0.794 1.00 0.00 N ATOM 582 CA LEU A 37 13.819 -1.883 -0.208 1.00 0.00 C ATOM 583 C LEU A 37 13.448 -2.110 1.259 1.00 0.00 C ATOM 584 O LEU A 37 13.190 -3.240 1.671 1.00 0.00 O ATOM 585 CB LEU A 37 15.265 -1.426 -0.413 1.00 0.00 C ATOM 586 CG LEU A 37 16.208 -2.449 -1.049 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.302 -1.754 -1.863 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.789 -3.390 0.007 1.00 0.00 C ATOM 0 H LEU A 37 13.336 -0.107 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 37 13.740 -2.847 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.258 -0.532 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.674 -1.137 0.555 1.00 0.00 H new ATOM 0 HG LEU A 37 15.631 -3.061 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.959 -2.504 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.845 -1.161 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.883 -1.102 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.456 -4.107 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.347 -2.811 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.979 -3.924 0.504 1.00 0.00 H new ATOM 600 N GLN A 38 13.434 -1.017 2.009 1.00 0.00 N ATOM 601 CA GLN A 38 13.099 -1.082 3.421 1.00 0.00 C ATOM 602 C GLN A 38 11.727 -1.733 3.612 1.00 0.00 C ATOM 603 O GLN A 38 11.462 -2.337 4.650 1.00 0.00 O ATOM 604 CB GLN A 38 13.141 0.307 4.059 1.00 0.00 C ATOM 605 CG GLN A 38 14.522 0.598 4.652 1.00 0.00 C ATOM 606 CD GLN A 38 14.941 2.044 4.381 1.00 0.00 C ATOM 607 OE1 GLN A 38 15.052 2.483 3.248 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.168 2.756 5.481 1.00 0.00 N ATOM 0 H GLN A 38 13.649 -0.081 1.665 1.00 0.00 H new ATOM 0 HA GLN A 38 13.845 -1.698 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.896 1.062 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.384 0.375 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.506 0.415 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.257 -0.084 4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.056 2.326 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.454 3.732 5.407 1.00 0.00 H new ATOM 617 N ALA A 39 10.892 -1.586 2.594 1.00 0.00 N ATOM 618 CA ALA A 39 9.554 -2.152 2.637 1.00 0.00 C ATOM 619 C ALA A 39 9.609 -3.614 2.188 1.00 0.00 C ATOM 620 O ALA A 39 8.774 -4.422 2.593 1.00 0.00 O ATOM 621 CB ALA A 39 8.616 -1.310 1.769 1.00 0.00 C ATOM 0 H ALA A 39 11.116 -1.084 1.735 1.00 0.00 H new ATOM 0 HA ALA A 39 9.162 -2.134 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.612 -1.734 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.590 -0.288 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.976 -1.308 0.740 1.00 0.00 H new ATOM 627 N LEU A 40 10.599 -3.909 1.359 1.00 0.00 N ATOM 628 CA LEU A 40 10.773 -5.259 0.851 1.00 0.00 C ATOM 629 C LEU A 40 11.045 -6.207 2.020 1.00 0.00 C ATOM 630 O LEU A 40 10.513 -7.316 2.062 1.00 0.00 O ATOM 631 CB LEU A 40 11.854 -5.289 -0.230 1.00 0.00 C ATOM 632 CG LEU A 40 11.398 -4.927 -1.645 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.501 -5.213 -2.667 1.00 0.00 C ATOM 634 CD2 LEU A 40 10.091 -5.639 -1.999 1.00 0.00 C ATOM 0 H LEU A 40 11.289 -3.236 1.026 1.00 0.00 H new ATOM 0 HA LEU A 40 9.860 -5.605 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.650 -4.603 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.288 -6.289 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 40 11.200 -3.856 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.151 -4.947 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.385 -4.623 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.754 -6.273 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.789 -5.364 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.238 -6.718 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.313 -5.343 -1.295 1.00 0.00 H new ATOM 646 N ASP A 41 11.874 -5.737 2.941 1.00 0.00 N ATOM 647 CA ASP A 41 12.224 -6.530 4.108 1.00 0.00 C ATOM 648 C ASP A 41 11.048 -6.535 5.086 1.00 0.00 C ATOM 649 O ASP A 41 10.589 -7.597 5.506 1.00 0.00 O ATOM 650 CB ASP A 41 13.437 -5.941 4.830 1.00 0.00 C ATOM 651 CG ASP A 41 14.109 -6.879 5.835 1.00 0.00 C ATOM 652 OD1 ASP A 41 13.385 -7.362 6.733 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.331 -7.092 5.683 1.00 0.00 O ATOM 0 H ASP A 41 12.313 -4.817 2.903 1.00 0.00 H new ATOM 0 HA ASP A 41 12.460 -7.540 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.175 -5.642 4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.126 -5.036 5.352 1.00 0.00 H new ATOM 658 N ILE A 42 10.593 -5.337 5.422 1.00 0.00 N ATOM 659 CA ILE A 42 9.479 -5.190 6.343 1.00 0.00 C ATOM 660 C ILE A 42 8.240 -5.865 5.751 1.00 0.00 C ATOM 661 O ILE A 42 7.321 -6.234 6.481 1.00 0.00 O ATOM 662 CB ILE A 42 9.267 -3.717 6.697 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.466 -3.159 7.467 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.954 -3.519 7.458 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.010 -2.376 8.699 1.00 0.00 C ATOM 0 H ILE A 42 10.976 -4.459 5.073 1.00 0.00 H new ATOM 0 HA ILE A 42 9.696 -5.692 7.286 1.00 0.00 H new ATOM 0 HB ILE A 42 9.190 -3.151 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.119 -3.977 7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.051 -2.510 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.828 -2.463 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.121 -3.853 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.977 -4.100 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.881 -1.990 9.228 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.377 -1.545 8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.446 -3.034 9.360 1.00 0.00 H new ATOM 677 N VAL A 43 8.256 -6.006 4.434 1.00 0.00 N ATOM 678 CA VAL A 43 7.145 -6.630 3.735 1.00 0.00 C ATOM 679 C VAL A 43 6.901 -8.024 4.317 1.00 0.00 C ATOM 680 O VAL A 43 5.804 -8.321 4.787 1.00 0.00 O ATOM 681 CB VAL A 43 7.418 -6.650 2.230 1.00 0.00 C ATOM 682 CG1 VAL A 43 7.024 -7.996 1.619 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.699 -5.497 1.527 1.00 0.00 C ATOM 0 H VAL A 43 9.020 -5.699 3.832 1.00 0.00 H new ATOM 0 HA VAL A 43 6.231 -6.053 3.878 1.00 0.00 H new ATOM 0 HB VAL A 43 8.490 -6.516 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.228 -7.983 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.601 -8.792 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.961 -8.173 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.910 -5.534 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.625 -5.586 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.050 -4.548 1.933 1.00 0.00 H new ATOM 693 N THR A 44 7.942 -8.843 4.266 1.00 0.00 N ATOM 694 CA THR A 44 7.854 -10.198 4.781 1.00 0.00 C ATOM 695 C THR A 44 7.930 -10.193 6.309 1.00 0.00 C ATOM 696 O THR A 44 7.273 -10.997 6.970 1.00 0.00 O ATOM 697 CB THR A 44 8.957 -11.028 4.121 1.00 0.00 C ATOM 698 OG1 THR A 44 8.769 -10.807 2.726 1.00 0.00 O ATOM 699 CG2 THR A 44 8.740 -12.532 4.293 1.00 0.00 C ATOM 0 H THR A 44 8.851 -8.593 3.876 1.00 0.00 H new ATOM 0 HA THR A 44 6.894 -10.653 4.535 1.00 0.00 H new ATOM 0 HB THR A 44 9.923 -10.750 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.444 -11.307 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.550 -13.075 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.725 -12.778 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.790 -12.817 3.841 1.00 0.00 H new ATOM 707 N LYS A 45 8.737 -9.278 6.827 1.00 0.00 N ATOM 708 CA LYS A 45 8.907 -9.158 8.265 1.00 0.00 C ATOM 709 C LYS A 45 7.543 -8.930 8.918 1.00 0.00 C ATOM 710 O LYS A 45 7.254 -9.492 9.974 1.00 0.00 O ATOM 711 CB LYS A 45 9.935 -8.074 8.594 1.00 0.00 C ATOM 712 CG LYS A 45 11.041 -8.623 9.497 1.00 0.00 C ATOM 713 CD LYS A 45 11.248 -7.726 10.719 1.00 0.00 C ATOM 714 CE LYS A 45 12.426 -8.214 11.565 1.00 0.00 C ATOM 715 NZ LYS A 45 13.706 -7.958 10.867 1.00 0.00 N ATOM 0 H LYS A 45 9.280 -8.613 6.276 1.00 0.00 H new ATOM 0 HA LYS A 45 9.309 -10.083 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.371 -7.689 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.441 -7.237 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.783 -9.631 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.971 -8.697 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.428 -6.701 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.341 -7.715 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.423 -7.707 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.321 -9.280 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.495 -8.070 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.816 -8.635 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.708 -6.989 10.489 1.00 0.00 H new ATOM 729 N GLU A 46 6.739 -8.104 8.264 1.00 0.00 N ATOM 730 CA GLU A 46 5.412 -7.795 8.768 1.00 0.00 C ATOM 731 C GLU A 46 4.351 -8.555 7.970 1.00 0.00 C ATOM 732 O GLU A 46 3.174 -8.547 8.330 1.00 0.00 O ATOM 733 CB GLU A 46 5.150 -6.288 8.733 1.00 0.00 C ATOM 734 CG GLU A 46 5.337 -5.667 10.119 1.00 0.00 C ATOM 735 CD GLU A 46 4.213 -4.678 10.433 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.133 -4.834 9.823 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.458 -3.788 11.276 1.00 0.00 O ATOM 0 H GLU A 46 6.982 -7.639 7.389 1.00 0.00 H new ATOM 0 HA GLU A 46 5.355 -8.116 9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.828 -5.814 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.136 -6.100 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.356 -6.453 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.299 -5.157 10.166 1.00 0.00 H new ATOM 744 N ARG A 47 4.804 -9.195 6.902 1.00 0.00 N ATOM 745 CA ARG A 47 3.908 -9.959 6.051 1.00 0.00 C ATOM 746 C ARG A 47 2.493 -9.382 6.118 1.00 0.00 C ATOM 747 O ARG A 47 1.553 -10.077 6.502 1.00 0.00 O ATOM 748 CB ARG A 47 3.873 -11.430 6.468 1.00 0.00 C ATOM 749 CG ARG A 47 3.901 -11.569 7.991 1.00 0.00 C ATOM 750 CD ARG A 47 3.188 -12.846 8.439 1.00 0.00 C ATOM 751 NE ARG A 47 4.176 -13.922 8.674 1.00 0.00 N ATOM 752 CZ ARG A 47 4.710 -14.678 7.705 1.00 0.00 C ATOM 753 NH1 ARG A 47 4.353 -14.480 6.428 1.00 0.00 N ATOM 754 NH2 ARG A 47 5.600 -15.631 8.011 1.00 0.00 N ATOM 0 H ARG A 47 5.780 -9.200 6.607 1.00 0.00 H new ATOM 0 HA ARG A 47 4.283 -9.893 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.974 -11.902 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.725 -11.955 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.934 -11.584 8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.423 -10.702 8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.622 -12.655 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.472 -13.158 7.679 1.00 0.00 H new ATOM 0 HE ARG A 47 4.469 -14.100 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.675 -13.754 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.759 -15.055 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.872 -15.782 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.006 -16.206 7.273 1.00 0.00 H new ATOM 768 N PRO A 48 2.382 -8.084 5.727 1.00 0.00 N ATOM 769 CA PRO A 48 1.096 -7.407 5.740 1.00 0.00 C ATOM 770 C PRO A 48 0.222 -7.868 4.572 1.00 0.00 C ATOM 771 O PRO A 48 0.733 -8.222 3.511 1.00 0.00 O ATOM 772 CB PRO A 48 1.432 -5.925 5.680 1.00 0.00 C ATOM 773 CG PRO A 48 2.862 -5.842 5.170 1.00 0.00 C ATOM 774 CD PRO A 48 3.472 -7.231 5.266 1.00 0.00 C ATOM 0 HA PRO A 48 0.510 -7.634 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.749 -5.396 5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.341 -5.464 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.880 -5.488 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.438 -5.130 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.854 -7.563 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.310 -7.248 5.963 1.00 0.00 H new ATOM 782 N ASP A 49 -1.082 -7.850 4.808 1.00 0.00 N ATOM 783 CA ASP A 49 -2.032 -8.263 3.789 1.00 0.00 C ATOM 784 C ASP A 49 -2.519 -7.031 3.023 1.00 0.00 C ATOM 785 O ASP A 49 -3.340 -7.146 2.114 1.00 0.00 O ATOM 786 CB ASP A 49 -3.251 -8.942 4.416 1.00 0.00 C ATOM 787 CG ASP A 49 -2.965 -9.733 5.694 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.456 -10.867 5.558 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.262 -9.186 6.778 1.00 0.00 O ATOM 0 H ASP A 49 -1.503 -7.556 5.690 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.530 -8.966 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.998 -8.180 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.691 -9.616 3.681 1.00 0.00 H new ATOM 794 N LEU A 50 -1.992 -5.882 3.418 1.00 0.00 N ATOM 795 CA LEU A 50 -2.362 -4.630 2.780 1.00 0.00 C ATOM 796 C LEU A 50 -1.285 -3.581 3.061 1.00 0.00 C ATOM 797 O LEU A 50 -1.111 -3.154 4.201 1.00 0.00 O ATOM 798 CB LEU A 50 -3.766 -4.202 3.214 1.00 0.00 C ATOM 799 CG LEU A 50 -4.675 -3.664 2.107 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.913 -2.706 1.189 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.327 -4.808 1.329 1.00 0.00 C ATOM 0 H LEU A 50 -1.311 -5.791 4.172 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.412 -4.754 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.258 -5.057 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.669 -3.435 3.982 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.478 -3.093 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.582 -2.338 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.537 -1.865 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.076 -3.231 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.968 -4.398 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.553 -5.427 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.926 -5.415 2.008 1.00 0.00 H new ATOM 813 N VAL A 51 -0.589 -3.195 2.001 1.00 0.00 N ATOM 814 CA VAL A 51 0.466 -2.203 2.120 1.00 0.00 C ATOM 815 C VAL A 51 0.261 -1.117 1.062 1.00 0.00 C ATOM 816 O VAL A 51 -0.197 -1.401 -0.044 1.00 0.00 O ATOM 817 CB VAL A 51 1.834 -2.881 2.023 1.00 0.00 C ATOM 818 CG1 VAL A 51 1.884 -3.849 0.838 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.955 -1.844 1.930 1.00 0.00 C ATOM 0 H VAL A 51 -0.735 -3.551 1.057 1.00 0.00 H new ATOM 0 HA VAL A 51 0.426 -1.718 3.095 1.00 0.00 H new ATOM 0 HB VAL A 51 1.986 -3.459 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.867 -4.317 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.121 -4.618 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.699 -3.302 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.917 -2.353 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.807 -1.227 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.941 -1.212 2.818 1.00 0.00 H new ATOM 829 N LEU A 52 0.610 0.104 1.439 1.00 0.00 N ATOM 830 CA LEU A 52 0.470 1.235 0.537 1.00 0.00 C ATOM 831 C LEU A 52 1.849 1.838 0.263 1.00 0.00 C ATOM 832 O LEU A 52 2.607 2.109 1.193 1.00 0.00 O ATOM 833 CB LEU A 52 -0.542 2.240 1.090 1.00 0.00 C ATOM 834 CG LEU A 52 -0.158 2.924 2.404 1.00 0.00 C ATOM 835 CD1 LEU A 52 -0.284 4.444 2.287 1.00 0.00 C ATOM 836 CD2 LEU A 52 -0.976 2.369 3.571 1.00 0.00 C ATOM 0 H LEU A 52 0.990 0.335 2.357 1.00 0.00 H new ATOM 0 HA LEU A 52 0.068 0.909 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.708 3.011 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.492 1.726 1.235 1.00 0.00 H new ATOM 0 HG LEU A 52 0.889 2.702 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.005 4.906 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.377 4.804 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.314 4.706 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.683 2.872 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.036 2.540 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.792 1.299 3.668 1.00 0.00 H new ATOM 848 N LEU A 53 2.132 2.030 -1.017 1.00 0.00 N ATOM 849 CA LEU A 53 3.407 2.596 -1.424 1.00 0.00 C ATOM 850 C LEU A 53 3.171 3.635 -2.522 1.00 0.00 C ATOM 851 O LEU A 53 2.443 3.377 -3.479 1.00 0.00 O ATOM 852 CB LEU A 53 4.382 1.487 -1.826 1.00 0.00 C ATOM 853 CG LEU A 53 5.748 1.948 -2.338 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.755 0.796 -2.325 1.00 0.00 C ATOM 855 CD2 LEU A 53 5.628 2.589 -3.721 1.00 0.00 C ATOM 0 H LEU A 53 1.501 1.804 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 53 3.878 3.115 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.539 0.839 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.912 0.880 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 53 6.126 2.714 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.718 1.150 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.870 0.425 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.395 -0.009 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.613 2.908 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.219 1.864 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.966 3.453 -3.665 1.00 0.00 H new ATOM 867 N ASP A 54 3.800 4.788 -2.346 1.00 0.00 N ATOM 868 CA ASP A 54 3.668 5.867 -3.310 1.00 0.00 C ATOM 869 C ASP A 54 4.854 5.830 -4.277 1.00 0.00 C ATOM 870 O ASP A 54 6.005 5.749 -3.850 1.00 0.00 O ATOM 871 CB ASP A 54 3.668 7.230 -2.614 1.00 0.00 C ATOM 872 CG ASP A 54 3.913 8.426 -3.536 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.944 8.396 -4.242 1.00 0.00 O ATOM 874 OD2 ASP A 54 3.065 9.344 -3.513 1.00 0.00 O ATOM 0 H ASP A 54 4.402 4.998 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 54 2.725 5.732 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.709 7.366 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.434 7.225 -1.838 1.00 0.00 H new ATOM 879 N MET A 55 4.532 5.892 -5.560 1.00 0.00 N ATOM 880 CA MET A 55 5.556 5.866 -6.591 1.00 0.00 C ATOM 881 C MET A 55 6.575 6.987 -6.378 1.00 0.00 C ATOM 882 O MET A 55 7.729 6.726 -6.040 1.00 0.00 O ATOM 883 CB MET A 55 4.902 6.025 -7.965 1.00 0.00 C ATOM 884 CG MET A 55 3.717 5.069 -8.122 1.00 0.00 C ATOM 885 SD MET A 55 4.152 3.452 -7.506 1.00 0.00 S ATOM 886 CE MET A 55 3.358 3.504 -5.908 1.00 0.00 C ATOM 0 H MET A 55 3.576 5.960 -5.910 1.00 0.00 H new ATOM 0 HA MET A 55 6.077 4.910 -6.536 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.564 7.053 -8.094 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.637 5.831 -8.746 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.854 5.454 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.429 5.002 -9.171 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.042 2.500 -5.626 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.059 3.886 -5.166 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.487 4.158 -5.955 1.00 0.00 H new ATOM 896 N LYS A 56 6.113 8.211 -6.585 1.00 0.00 N ATOM 897 CA LYS A 56 6.971 9.373 -6.421 1.00 0.00 C ATOM 898 C LYS A 56 7.749 9.245 -5.110 1.00 0.00 C ATOM 899 O LYS A 56 7.160 9.256 -4.030 1.00 0.00 O ATOM 900 CB LYS A 56 6.153 10.662 -6.527 1.00 0.00 C ATOM 901 CG LYS A 56 7.030 11.831 -6.981 1.00 0.00 C ATOM 902 CD LYS A 56 6.627 12.308 -8.378 1.00 0.00 C ATOM 903 CE LYS A 56 7.782 13.046 -9.058 1.00 0.00 C ATOM 904 NZ LYS A 56 8.850 12.097 -9.440 1.00 0.00 N ATOM 0 H LYS A 56 5.156 8.424 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 56 7.705 9.421 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.335 10.521 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.704 10.893 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.941 12.654 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.076 11.525 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.328 11.454 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.762 12.967 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.417 13.567 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.184 13.803 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.427 12.511 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.452 11.902 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.423 11.210 -9.774 1.00 0.00 H new ATOM 918 N ILE A 57 9.061 9.126 -5.247 1.00 0.00 N ATOM 919 CA ILE A 57 9.927 8.996 -4.087 1.00 0.00 C ATOM 920 C ILE A 57 11.356 9.377 -4.477 1.00 0.00 C ATOM 921 O ILE A 57 11.831 9.005 -5.549 1.00 0.00 O ATOM 922 CB ILE A 57 9.806 7.596 -3.483 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.448 7.668 -1.997 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.079 6.782 -3.727 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.084 8.331 -1.793 1.00 0.00 C ATOM 0 H ILE A 57 9.546 9.117 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 57 9.617 9.685 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 57 8.990 7.077 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.435 6.664 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.213 8.230 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.967 5.791 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.250 6.686 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.928 7.288 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.854 8.370 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.108 9.343 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.318 7.753 -2.309 1.00 0.00 H new ATOM 937 N PRO A 58 12.019 10.134 -3.562 1.00 0.00 N ATOM 938 CA PRO A 58 13.385 10.569 -3.800 1.00 0.00 C ATOM 939 C PRO A 58 14.370 9.414 -3.609 1.00 0.00 C ATOM 940 O PRO A 58 14.374 8.763 -2.565 1.00 0.00 O ATOM 941 CB PRO A 58 13.610 11.710 -2.820 1.00 0.00 C ATOM 942 CG PRO A 58 12.532 11.566 -1.758 1.00 0.00 C ATOM 943 CD PRO A 58 11.488 10.594 -2.282 1.00 0.00 C ATOM 0 HA PRO A 58 13.548 10.903 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.604 11.654 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.538 12.675 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.961 11.199 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.078 12.533 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.340 9.763 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.521 11.081 -2.407 1.00 0.00 H new ATOM 951 N GLY A 59 15.181 9.194 -4.633 1.00 0.00 N ATOM 952 CA GLY A 59 16.168 8.129 -4.591 1.00 0.00 C ATOM 953 C GLY A 59 15.641 6.866 -5.277 1.00 0.00 C ATOM 954 O GLY A 59 15.293 5.893 -4.611 1.00 0.00 O ATOM 0 H GLY A 59 15.175 9.736 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.084 8.458 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.423 7.905 -3.555 1.00 0.00 H new ATOM 958 N MET A 60 15.600 6.924 -6.600 1.00 0.00 N ATOM 959 CA MET A 60 15.122 5.797 -7.383 1.00 0.00 C ATOM 960 C MET A 60 13.604 5.651 -7.263 1.00 0.00 C ATOM 961 O MET A 60 13.107 5.074 -6.297 1.00 0.00 O ATOM 962 CB MET A 60 15.799 4.514 -6.898 1.00 0.00 C ATOM 963 CG MET A 60 15.876 3.476 -8.020 1.00 0.00 C ATOM 964 SD MET A 60 15.844 1.829 -7.332 1.00 0.00 S ATOM 965 CE MET A 60 14.158 1.768 -6.750 1.00 0.00 C ATOM 0 H MET A 60 15.890 7.733 -7.149 1.00 0.00 H new ATOM 0 HA MET A 60 15.369 5.975 -8.430 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.803 4.742 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.244 4.103 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.040 3.608 -8.707 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.789 3.620 -8.598 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.150 1.726 -5.661 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.626 2.659 -7.083 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.667 0.881 -7.151 1.00 0.00 H new ATOM 975 N ASP A 61 12.909 6.183 -8.258 1.00 0.00 N ATOM 976 CA ASP A 61 11.458 6.119 -8.276 1.00 0.00 C ATOM 977 C ASP A 61 11.009 4.709 -7.885 1.00 0.00 C ATOM 978 O ASP A 61 11.821 3.787 -7.836 1.00 0.00 O ATOM 979 CB ASP A 61 10.911 6.419 -9.673 1.00 0.00 C ATOM 980 CG ASP A 61 11.917 6.247 -10.813 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.197 5.076 -11.150 1.00 0.00 O ATOM 982 OD2 ASP A 61 12.383 7.289 -11.320 1.00 0.00 O ATOM 0 H ASP A 61 13.325 6.661 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 61 11.079 6.861 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.058 5.767 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.539 7.443 -9.689 1.00 0.00 H new ATOM 987 N GLY A 62 9.717 4.587 -7.617 1.00 0.00 N ATOM 988 CA GLY A 62 9.151 3.306 -7.232 1.00 0.00 C ATOM 989 C GLY A 62 8.877 2.436 -8.460 1.00 0.00 C ATOM 990 O GLY A 62 8.508 1.270 -8.330 1.00 0.00 O ATOM 0 H GLY A 62 9.046 5.354 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.837 2.788 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.224 3.465 -6.680 1.00 0.00 H new ATOM 994 N ILE A 63 9.067 3.037 -9.626 1.00 0.00 N ATOM 995 CA ILE A 63 8.845 2.332 -10.877 1.00 0.00 C ATOM 996 C ILE A 63 9.582 0.992 -10.840 1.00 0.00 C ATOM 997 O ILE A 63 9.096 -0.003 -11.375 1.00 0.00 O ATOM 998 CB ILE A 63 9.232 3.215 -12.065 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.305 4.427 -12.173 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.269 2.403 -13.362 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.004 5.591 -12.878 1.00 0.00 C ATOM 0 H ILE A 63 9.372 4.005 -9.730 1.00 0.00 H new ATOM 0 HA ILE A 63 7.786 2.110 -11.007 1.00 0.00 H new ATOM 0 HB ILE A 63 10.239 3.595 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.404 4.153 -12.722 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.989 4.737 -11.177 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.547 3.054 -14.191 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.002 1.602 -13.269 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.285 1.974 -13.551 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.323 6.440 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.891 5.879 -12.313 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.297 5.285 -13.882 1.00 0.00 H new ATOM 1013 N GLU A 64 10.743 1.009 -10.202 1.00 0.00 N ATOM 1014 CA GLU A 64 11.552 -0.192 -10.088 1.00 0.00 C ATOM 1015 C GLU A 64 11.135 -0.998 -8.857 1.00 0.00 C ATOM 1016 O GLU A 64 10.901 -2.203 -8.949 1.00 0.00 O ATOM 1017 CB GLU A 64 13.042 0.152 -10.039 1.00 0.00 C ATOM 1018 CG GLU A 64 13.566 0.521 -11.428 1.00 0.00 C ATOM 1019 CD GLU A 64 14.158 -0.701 -12.133 1.00 0.00 C ATOM 1020 OE1 GLU A 64 15.270 -1.105 -11.729 1.00 0.00 O ATOM 1021 OE2 GLU A 64 13.486 -1.202 -13.060 1.00 0.00 O ATOM 0 H GLU A 64 11.143 1.836 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 64 11.384 -0.805 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.205 0.983 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.602 -0.698 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.756 0.935 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.326 1.298 -11.340 1.00 0.00 H new ATOM 1028 N ILE A 65 11.054 -0.302 -7.733 1.00 0.00 N ATOM 1029 CA ILE A 65 10.669 -0.938 -6.484 1.00 0.00 C ATOM 1030 C ILE A 65 9.440 -1.817 -6.723 1.00 0.00 C ATOM 1031 O ILE A 65 9.498 -3.033 -6.544 1.00 0.00 O ATOM 1032 CB ILE A 65 10.472 0.110 -5.387 1.00 0.00 C ATOM 1033 CG1 ILE A 65 11.802 0.456 -4.714 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.419 -0.346 -4.376 1.00 0.00 C ATOM 1035 CD1 ILE A 65 11.719 1.804 -3.995 1.00 0.00 C ATOM 0 H ILE A 65 11.248 0.697 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 65 11.465 -1.592 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 65 10.099 1.023 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.067 -0.325 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.595 0.487 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.298 0.417 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.468 -0.501 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.739 -1.280 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.677 2.026 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.478 2.586 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.942 1.762 -3.232 1.00 0.00 H new ATOM 1047 N LEU A 66 8.356 -1.168 -7.122 1.00 0.00 N ATOM 1048 CA LEU A 66 7.115 -1.875 -7.386 1.00 0.00 C ATOM 1049 C LEU A 66 7.375 -2.989 -8.403 1.00 0.00 C ATOM 1050 O LEU A 66 6.734 -4.038 -8.357 1.00 0.00 O ATOM 1051 CB LEU A 66 6.020 -0.896 -7.813 1.00 0.00 C ATOM 1052 CG LEU A 66 5.507 0.051 -6.726 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.465 -0.647 -5.366 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.333 1.338 -6.686 1.00 0.00 C ATOM 0 H LEU A 66 8.312 -0.160 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 66 6.747 -2.351 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.399 -0.296 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.176 -1.470 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 66 4.484 0.333 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.097 0.048 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.800 -1.509 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.468 -0.978 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.948 1.994 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.375 1.095 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.266 1.843 -7.649 1.00 0.00 H new ATOM 1066 N LYS A 67 8.315 -2.722 -9.298 1.00 0.00 N ATOM 1067 CA LYS A 67 8.667 -3.688 -10.324 1.00 0.00 C ATOM 1068 C LYS A 67 9.259 -4.935 -9.664 1.00 0.00 C ATOM 1069 O LYS A 67 8.689 -6.020 -9.755 1.00 0.00 O ATOM 1070 CB LYS A 67 9.585 -3.050 -11.369 1.00 0.00 C ATOM 1071 CG LYS A 67 8.921 -3.033 -12.747 1.00 0.00 C ATOM 1072 CD LYS A 67 9.947 -3.280 -13.854 1.00 0.00 C ATOM 1073 CE LYS A 67 10.401 -4.741 -13.865 1.00 0.00 C ATOM 1074 NZ LYS A 67 11.657 -4.887 -14.635 1.00 0.00 N ATOM 0 H LYS A 67 8.843 -1.850 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 67 7.778 -4.007 -10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.832 -2.032 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.523 -3.603 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.144 -3.796 -12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.432 -2.072 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.513 -3.023 -14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.809 -2.629 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.551 -5.089 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.624 -5.366 -14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.952 -5.884 -14.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.502 -4.574 -15.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.401 -4.305 -14.199 1.00 0.00 H new ATOM 1088 N ARG A 68 10.397 -4.737 -9.014 1.00 0.00 N ATOM 1089 CA ARG A 68 11.073 -5.831 -8.339 1.00 0.00 C ATOM 1090 C ARG A 68 10.118 -6.526 -7.366 1.00 0.00 C ATOM 1091 O ARG A 68 10.170 -7.743 -7.202 1.00 0.00 O ATOM 1092 CB ARG A 68 12.298 -5.332 -7.571 1.00 0.00 C ATOM 1093 CG ARG A 68 13.569 -5.477 -8.410 1.00 0.00 C ATOM 1094 CD ARG A 68 14.758 -4.799 -7.728 1.00 0.00 C ATOM 1095 NE ARG A 68 15.463 -5.768 -6.859 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.252 -5.422 -5.833 1.00 0.00 C ATOM 1097 NH1 ARG A 68 16.442 -4.128 -5.541 1.00 0.00 N ATOM 1098 NH2 ARG A 68 16.852 -6.369 -5.099 1.00 0.00 N ATOM 0 H ARG A 68 10.867 -3.835 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 68 11.400 -6.539 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.158 -4.287 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.404 -5.895 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.788 -6.534 -8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.411 -5.037 -9.395 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.443 -4.406 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.413 -3.951 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 68 15.340 -6.762 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.986 -3.407 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.043 -3.864 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.708 -7.354 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.453 -6.105 -4.318 1.00 0.00 H new ATOM 1112 N MET A 69 9.268 -5.720 -6.745 1.00 0.00 N ATOM 1113 CA MET A 69 8.302 -6.242 -5.793 1.00 0.00 C ATOM 1114 C MET A 69 7.457 -7.352 -6.421 1.00 0.00 C ATOM 1115 O MET A 69 7.404 -8.466 -5.902 1.00 0.00 O ATOM 1116 CB MET A 69 7.389 -5.110 -5.320 1.00 0.00 C ATOM 1117 CG MET A 69 7.509 -4.903 -3.809 1.00 0.00 C ATOM 1118 SD MET A 69 8.291 -3.336 -3.467 1.00 0.00 S ATOM 1119 CE MET A 69 7.095 -2.631 -2.345 1.00 0.00 C ATOM 0 H MET A 69 9.229 -4.710 -6.883 1.00 0.00 H new ATOM 0 HA MET A 69 8.845 -6.661 -4.946 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.649 -4.187 -5.839 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.355 -5.340 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.521 -4.933 -3.350 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.090 -5.713 -3.368 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.560 -1.826 -1.776 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.253 -2.235 -2.913 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.741 -3.401 -1.660 1.00 0.00 H new ATOM 1129 N LYS A 70 6.817 -7.009 -7.529 1.00 0.00 N ATOM 1130 CA LYS A 70 5.977 -7.962 -8.234 1.00 0.00 C ATOM 1131 C LYS A 70 6.861 -9.015 -8.907 1.00 0.00 C ATOM 1132 O LYS A 70 6.555 -10.206 -8.864 1.00 0.00 O ATOM 1133 CB LYS A 70 5.039 -7.238 -9.201 1.00 0.00 C ATOM 1134 CG LYS A 70 5.710 -7.026 -10.560 1.00 0.00 C ATOM 1135 CD LYS A 70 5.772 -8.335 -11.351 1.00 0.00 C ATOM 1136 CE LYS A 70 5.089 -8.187 -12.712 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.752 -9.043 -13.720 1.00 0.00 N ATOM 0 H LYS A 70 6.863 -6.084 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 70 5.329 -8.489 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.125 -7.818 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.749 -6.275 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.158 -6.279 -11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.718 -6.636 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.812 -8.630 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.290 -9.130 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.037 -8.460 -12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.123 -7.145 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.276 -8.931 -14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.750 -8.763 -13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.697 -10.038 -13.421 1.00 0.00 H new ATOM 1151 N VAL A 71 7.938 -8.537 -9.512 1.00 0.00 N ATOM 1152 CA VAL A 71 8.868 -9.422 -10.192 1.00 0.00 C ATOM 1153 C VAL A 71 9.430 -10.433 -9.191 1.00 0.00 C ATOM 1154 O VAL A 71 9.795 -11.546 -9.565 1.00 0.00 O ATOM 1155 CB VAL A 71 9.957 -8.602 -10.888 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.889 -9.505 -11.698 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.343 -7.514 -11.771 1.00 0.00 C ATOM 0 H VAL A 71 8.187 -7.549 -9.546 1.00 0.00 H new ATOM 0 HA VAL A 71 8.356 -9.987 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 71 10.552 -8.112 -10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.654 -8.898 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.365 -10.226 -11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.313 -10.036 -12.456 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.138 -6.946 -12.254 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.713 -7.975 -12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.740 -6.845 -11.157 1.00 0.00 H new ATOM 1167 N ILE A 72 9.480 -10.010 -7.936 1.00 0.00 N ATOM 1168 CA ILE A 72 9.991 -10.864 -6.878 1.00 0.00 C ATOM 1169 C ILE A 72 8.937 -11.915 -6.524 1.00 0.00 C ATOM 1170 O ILE A 72 9.245 -13.102 -6.431 1.00 0.00 O ATOM 1171 CB ILE A 72 10.447 -10.023 -5.684 1.00 0.00 C ATOM 1172 CG1 ILE A 72 11.844 -9.447 -5.920 1.00 0.00 C ATOM 1173 CG2 ILE A 72 10.372 -10.829 -4.385 1.00 0.00 C ATOM 1174 CD1 ILE A 72 12.927 -10.442 -5.498 1.00 0.00 C ATOM 0 H ILE A 72 9.175 -9.087 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 72 10.877 -11.402 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 72 9.764 -9.180 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.965 -9.198 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.958 -8.520 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.702 -10.208 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.344 -11.149 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.017 -11.704 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.910 -10.007 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.818 -10.670 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.825 -11.359 -6.079 1.00 0.00 H new ATOM 1186 N ASP A 73 7.714 -11.440 -6.335 1.00 0.00 N ATOM 1187 CA ASP A 73 6.613 -12.324 -5.993 1.00 0.00 C ATOM 1188 C ASP A 73 5.309 -11.744 -6.544 1.00 0.00 C ATOM 1189 O ASP A 73 5.243 -10.561 -6.877 1.00 0.00 O ATOM 1190 CB ASP A 73 6.466 -12.460 -4.476 1.00 0.00 C ATOM 1191 CG ASP A 73 6.816 -13.839 -3.914 1.00 0.00 C ATOM 1192 OD1 ASP A 73 6.535 -14.829 -4.623 1.00 0.00 O ATOM 1193 OD2 ASP A 73 7.357 -13.872 -2.787 1.00 0.00 O ATOM 0 H ASP A 73 7.462 -10.455 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 73 6.821 -13.303 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.102 -11.716 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.438 -12.223 -4.203 1.00 0.00 H new ATOM 1198 N GLU A 74 4.303 -12.602 -6.623 1.00 0.00 N ATOM 1199 CA GLU A 74 3.004 -12.190 -7.127 1.00 0.00 C ATOM 1200 C GLU A 74 1.968 -12.205 -6.002 1.00 0.00 C ATOM 1201 O GLU A 74 0.895 -11.618 -6.133 1.00 0.00 O ATOM 1202 CB GLU A 74 2.562 -13.077 -8.293 1.00 0.00 C ATOM 1203 CG GLU A 74 1.928 -14.374 -7.785 1.00 0.00 C ATOM 1204 CD GLU A 74 1.561 -15.297 -8.948 1.00 0.00 C ATOM 1205 OE1 GLU A 74 2.506 -15.788 -9.603 1.00 0.00 O ATOM 1206 OE2 GLU A 74 0.344 -15.491 -9.156 1.00 0.00 O ATOM 0 H GLU A 74 4.361 -13.582 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 74 3.088 -11.170 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.847 -12.538 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.420 -13.310 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.621 -14.884 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.035 -14.143 -7.204 1.00 0.00 H new ATOM 1213 N ASN A 75 2.325 -12.883 -4.921 1.00 0.00 N ATOM 1214 CA ASN A 75 1.440 -12.983 -3.774 1.00 0.00 C ATOM 1215 C ASN A 75 1.449 -11.656 -3.011 1.00 0.00 C ATOM 1216 O ASN A 75 0.551 -11.389 -2.213 1.00 0.00 O ATOM 1217 CB ASN A 75 1.902 -14.082 -2.815 1.00 0.00 C ATOM 1218 CG ASN A 75 3.423 -14.067 -2.656 1.00 0.00 C ATOM 1219 OD1 ASN A 75 4.028 -13.065 -2.313 1.00 0.00 O ATOM 1220 ND2 ASN A 75 4.006 -15.232 -2.925 1.00 0.00 N ATOM 0 H ASN A 75 3.216 -13.369 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 75 0.441 -13.220 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.430 -13.943 -1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.581 -15.054 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.019 -15.325 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.440 -16.032 -3.207 1.00 0.00 H new ATOM 1227 N ILE A 76 2.473 -10.861 -3.283 1.00 0.00 N ATOM 1228 CA ILE A 76 2.610 -9.569 -2.633 1.00 0.00 C ATOM 1229 C ILE A 76 1.485 -8.645 -3.101 1.00 0.00 C ATOM 1230 O ILE A 76 1.209 -8.552 -4.296 1.00 0.00 O ATOM 1231 CB ILE A 76 4.011 -8.998 -2.865 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.110 -7.561 -2.350 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.410 -9.109 -4.338 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.477 -6.955 -2.676 1.00 0.00 C ATOM 0 H ILE A 76 3.216 -11.087 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 76 2.508 -9.674 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 76 4.722 -9.594 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.323 -6.955 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.949 -7.545 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.409 -8.696 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.405 -10.157 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.700 -8.553 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.521 -5.933 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.260 -7.550 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.625 -6.950 -3.756 1.00 0.00 H new ATOM 1246 N ARG A 77 0.865 -7.984 -2.135 1.00 0.00 N ATOM 1247 CA ARG A 77 -0.225 -7.070 -2.433 1.00 0.00 C ATOM 1248 C ARG A 77 0.134 -5.651 -1.985 1.00 0.00 C ATOM 1249 O ARG A 77 0.262 -5.387 -0.791 1.00 0.00 O ATOM 1250 CB ARG A 77 -1.516 -7.505 -1.736 1.00 0.00 C ATOM 1251 CG ARG A 77 -2.267 -6.299 -1.169 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.728 -6.650 -0.878 1.00 0.00 C ATOM 1253 NE ARG A 77 -4.618 -5.921 -1.808 1.00 0.00 N ATOM 1254 CZ ARG A 77 -4.591 -4.593 -1.989 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.717 -3.842 -1.305 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -5.437 -4.017 -2.854 1.00 0.00 N ATOM 0 H ARG A 77 1.097 -8.063 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.384 -7.086 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.154 -8.035 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.282 -8.203 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.781 -5.961 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.222 -5.472 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.880 -7.724 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.975 -6.392 0.152 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.295 -6.463 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.073 -4.281 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.696 -2.831 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.102 -4.589 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.416 -3.007 -2.991 1.00 0.00 H new ATOM 1270 N VAL A 78 0.287 -4.776 -2.968 1.00 0.00 N ATOM 1271 CA VAL A 78 0.629 -3.391 -2.691 1.00 0.00 C ATOM 1272 C VAL A 78 -0.170 -2.477 -3.621 1.00 0.00 C ATOM 1273 O VAL A 78 -0.440 -2.834 -4.767 1.00 0.00 O ATOM 1274 CB VAL A 78 2.141 -3.192 -2.810 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.516 -2.659 -4.194 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.661 -2.268 -1.707 1.00 0.00 C ATOM 0 H VAL A 78 0.180 -4.999 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 78 0.360 -3.128 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 78 2.618 -4.164 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.596 -2.526 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.196 -3.369 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.023 -1.701 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.738 -2.143 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.174 -1.296 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.442 -2.705 -0.733 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.526 -1.315 -3.094 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.289 -0.346 -3.864 1.00 0.00 C ATOM 1288 C ILE A 79 -0.414 0.877 -4.146 1.00 0.00 C ATOM 1289 O ILE A 79 0.378 1.287 -3.299 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.602 -0.012 -3.154 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.719 -0.963 -3.590 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.982 1.455 -3.365 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.089 -0.433 -3.161 1.00 0.00 C ATOM 0 H ILE A 79 -0.301 -1.022 -2.143 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.573 -0.765 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.457 -0.156 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.695 -1.085 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.553 -1.948 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.919 1.666 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.196 2.096 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.102 1.650 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.865 -1.127 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.118 -0.335 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.262 0.541 -3.618 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.587 1.425 -5.340 1.00 0.00 N ATOM 1306 CA ILE A 80 0.177 2.593 -5.745 1.00 0.00 C ATOM 1307 C ILE A 80 -0.696 3.842 -5.605 1.00 0.00 C ATOM 1308 O ILE A 80 -1.916 3.770 -5.748 1.00 0.00 O ATOM 1309 CB ILE A 80 0.750 2.398 -7.149 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.347 2.507 -8.210 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.516 1.077 -7.250 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.827 3.952 -8.356 1.00 0.00 C ATOM 0 H ILE A 80 -1.245 1.082 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 80 1.038 2.730 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 80 1.463 3.200 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.031 2.147 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.186 1.867 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.913 0.963 -8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.338 1.077 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.843 0.248 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.606 4.001 -9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.226 4.301 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.009 4.585 -8.652 1.00 0.00 H new ATOM 1324 N MET A 81 -0.038 4.958 -5.328 1.00 0.00 N ATOM 1325 CA MET A 81 -0.739 6.220 -5.167 1.00 0.00 C ATOM 1326 C MET A 81 0.050 7.370 -5.797 1.00 0.00 C ATOM 1327 O MET A 81 1.214 7.585 -5.462 1.00 0.00 O ATOM 1328 CB MET A 81 -0.950 6.502 -3.678 1.00 0.00 C ATOM 1329 CG MET A 81 -0.509 5.309 -2.827 1.00 0.00 C ATOM 1330 SD MET A 81 -0.528 5.753 -1.098 1.00 0.00 S ATOM 1331 CE MET A 81 1.002 5.002 -0.569 1.00 0.00 C ATOM 0 H MET A 81 0.974 5.014 -5.211 1.00 0.00 H new ATOM 0 HA MET A 81 -1.702 6.145 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.386 7.388 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.002 6.718 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.173 4.462 -3.001 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.493 4.994 -3.119 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.105 5.107 0.511 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.998 3.944 -0.832 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.839 5.495 -1.063 1.00 0.00 H new ATOM 1341 N THR A 82 -0.614 8.077 -6.699 1.00 0.00 N ATOM 1342 CA THR A 82 0.010 9.199 -7.379 1.00 0.00 C ATOM 1343 C THR A 82 -0.977 9.853 -8.348 1.00 0.00 C ATOM 1344 O THR A 82 -1.909 9.204 -8.822 1.00 0.00 O ATOM 1345 CB THR A 82 1.282 8.690 -8.061 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.499 9.612 -9.125 1.00 0.00 O ATOM 1347 CG2 THR A 82 1.072 7.348 -8.766 1.00 0.00 C ATOM 0 H THR A 82 -1.579 7.894 -6.975 1.00 0.00 H new ATOM 0 HA THR A 82 0.291 9.981 -6.674 1.00 0.00 H new ATOM 0 HB THR A 82 2.075 8.590 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.843 9.133 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.005 7.032 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.759 6.599 -8.038 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.302 7.455 -9.530 1.00 0.00 H new ATOM 1355 N ALA A 83 -0.740 11.129 -8.612 1.00 0.00 N ATOM 1356 CA ALA A 83 -1.597 11.878 -9.515 1.00 0.00 C ATOM 1357 C ALA A 83 -1.646 11.170 -10.870 1.00 0.00 C ATOM 1358 O ALA A 83 -0.749 10.397 -11.203 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.088 13.317 -9.627 1.00 0.00 C ATOM 0 H ALA A 83 0.033 11.664 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.615 11.922 -9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.731 13.879 -10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.101 13.785 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.069 13.313 -10.014 1.00 0.00 H new ATOM 1365 N TYR A 84 -2.703 11.458 -11.615 1.00 0.00 N ATOM 1366 CA TYR A 84 -2.880 10.858 -12.926 1.00 0.00 C ATOM 1367 C TYR A 84 -1.947 11.501 -13.954 1.00 0.00 C ATOM 1368 O TYR A 84 -0.871 11.984 -13.604 1.00 0.00 O ATOM 1369 CB TYR A 84 -4.330 11.139 -13.326 1.00 0.00 C ATOM 1370 CG TYR A 84 -4.674 12.627 -13.416 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.105 13.305 -12.294 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -4.552 13.292 -14.620 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -5.429 14.706 -12.379 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -4.875 14.693 -14.705 1.00 0.00 C ATOM 1375 CZ TYR A 84 -5.298 15.331 -13.580 1.00 0.00 C ATOM 1376 OH TYR A 84 -5.603 16.653 -13.660 1.00 0.00 O ATOM 0 H TYR A 84 -3.446 12.099 -11.335 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.654 9.792 -12.894 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.527 10.672 -14.291 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.994 10.666 -12.602 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.199 12.785 -11.352 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.214 12.762 -15.498 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.768 15.248 -11.509 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.784 15.225 -15.640 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.461 16.966 -14.578 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.393 11.487 -15.202 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.611 12.063 -16.283 1.00 0.00 C ATOM 1388 C GLY A 85 -0.559 11.072 -16.787 1.00 0.00 C ATOM 1389 O GLY A 85 -0.460 10.824 -17.987 1.00 0.00 O ATOM 0 H GLY A 85 -3.286 11.086 -15.488 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.271 12.347 -17.103 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.122 12.974 -15.938 1.00 0.00 H new ATOM 1393 N GLU A 86 0.199 10.533 -15.844 1.00 0.00 N ATOM 1394 CA GLU A 86 1.239 9.575 -16.177 1.00 0.00 C ATOM 1395 C GLU A 86 0.669 8.155 -16.190 1.00 0.00 C ATOM 1396 O GLU A 86 1.277 7.233 -15.649 1.00 0.00 O ATOM 1397 CB GLU A 86 2.416 9.684 -15.205 1.00 0.00 C ATOM 1398 CG GLU A 86 1.927 9.790 -13.760 1.00 0.00 C ATOM 1399 CD GLU A 86 2.993 9.294 -12.782 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.153 9.734 -12.935 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.625 8.485 -11.903 1.00 0.00 O ATOM 0 H GLU A 86 0.114 10.741 -14.849 1.00 0.00 H new ATOM 0 HA GLU A 86 1.611 9.805 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.061 8.812 -15.311 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.018 10.558 -15.454 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.674 10.826 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.015 9.205 -13.637 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.492 8.024 -16.815 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.151 6.732 -16.906 1.00 0.00 C ATOM 1410 C LEU A 87 -0.123 5.666 -17.288 1.00 0.00 C ATOM 1411 O LEU A 87 -0.214 4.523 -16.843 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.345 6.806 -17.860 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.462 7.773 -17.463 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.493 7.910 -18.585 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.107 7.352 -16.141 1.00 0.00 C ATOM 0 H LEU A 87 -0.993 8.791 -17.263 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.563 6.445 -15.939 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.979 7.090 -18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.772 5.808 -17.954 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.022 8.758 -17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.276 8.603 -18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.005 8.289 -19.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.933 6.935 -18.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.898 8.056 -15.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.530 6.353 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.353 7.347 -15.354 1.00 0.00 H new ATOM 1427 N ASP A 88 0.832 6.078 -18.109 1.00 0.00 N ATOM 1428 CA ASP A 88 1.876 5.172 -18.556 1.00 0.00 C ATOM 1429 C ASP A 88 2.385 4.359 -17.365 1.00 0.00 C ATOM 1430 O ASP A 88 2.337 3.130 -17.381 1.00 0.00 O ATOM 1431 CB ASP A 88 3.061 5.943 -19.142 1.00 0.00 C ATOM 1432 CG ASP A 88 3.289 5.737 -20.641 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.685 6.508 -21.418 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.062 4.813 -20.976 1.00 0.00 O ATOM 0 H ASP A 88 0.904 7.027 -18.476 1.00 0.00 H new ATOM 0 HA ASP A 88 1.453 4.523 -19.323 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.911 7.006 -18.955 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.965 5.650 -18.609 1.00 0.00 H new ATOM 1439 N MET A 89 2.861 5.077 -16.358 1.00 0.00 N ATOM 1440 CA MET A 89 3.378 4.438 -15.160 1.00 0.00 C ATOM 1441 C MET A 89 2.295 3.601 -14.475 1.00 0.00 C ATOM 1442 O MET A 89 2.447 2.391 -14.319 1.00 0.00 O ATOM 1443 CB MET A 89 3.888 5.506 -14.191 1.00 0.00 C ATOM 1444 CG MET A 89 4.917 4.920 -13.222 1.00 0.00 C ATOM 1445 SD MET A 89 4.144 4.562 -11.654 1.00 0.00 S ATOM 1446 CE MET A 89 5.565 4.004 -10.728 1.00 0.00 C ATOM 0 H MET A 89 2.899 6.096 -16.347 1.00 0.00 H new ATOM 0 HA MET A 89 4.195 3.776 -15.447 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.337 6.326 -14.751 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.051 5.923 -13.630 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.347 4.010 -13.641 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.737 5.624 -13.080 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.233 3.493 -9.824 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.150 3.317 -11.339 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.181 4.861 -10.455 1.00 0.00 H new ATOM 1456 N ILE A 90 1.227 4.280 -14.083 1.00 0.00 N ATOM 1457 CA ILE A 90 0.120 3.614 -13.418 1.00 0.00 C ATOM 1458 C ILE A 90 -0.216 2.322 -14.166 1.00 0.00 C ATOM 1459 O ILE A 90 -0.362 1.266 -13.552 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.069 4.567 -13.272 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.710 5.758 -12.381 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.307 3.825 -12.767 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -0.336 6.980 -13.222 1.00 0.00 C ATOM 0 H ILE A 90 1.105 5.284 -14.213 1.00 0.00 H new ATOM 0 HA ILE A 90 0.400 3.332 -12.403 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.312 4.964 -14.257 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.554 6.001 -11.736 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.123 5.492 -11.730 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.137 4.525 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.574 3.039 -13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.094 3.381 -11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.085 7.812 -12.564 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.523 6.741 -13.848 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.179 7.259 -13.854 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.330 2.449 -15.480 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.646 1.304 -16.317 1.00 0.00 C ATOM 1477 C GLN A 91 0.273 0.128 -15.977 1.00 0.00 C ATOM 1478 O GLN A 91 -0.200 -0.951 -15.624 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.547 1.666 -17.800 1.00 0.00 C ATOM 1480 CG GLN A 91 -1.919 2.036 -18.367 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.421 0.961 -19.333 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -1.991 -0.180 -19.311 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -3.353 1.388 -20.180 1.00 0.00 N ATOM 0 H GLN A 91 -0.209 3.327 -15.985 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.675 1.005 -16.117 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.141 2.502 -17.929 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.134 0.825 -18.357 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.632 2.159 -17.552 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.857 2.994 -18.884 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.669 2.357 -20.145 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.752 0.746 -20.865 1.00 0.00 H new ATOM 1492 N GLU A 92 1.569 0.377 -16.096 1.00 0.00 N ATOM 1493 CA GLU A 92 2.557 -0.647 -15.806 1.00 0.00 C ATOM 1494 C GLU A 92 2.328 -1.226 -14.408 1.00 0.00 C ATOM 1495 O GLU A 92 2.461 -2.431 -14.202 1.00 0.00 O ATOM 1496 CB GLU A 92 3.977 -0.094 -15.944 1.00 0.00 C ATOM 1497 CG GLU A 92 4.725 -0.784 -17.086 1.00 0.00 C ATOM 1498 CD GLU A 92 5.790 0.140 -17.682 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.462 1.330 -17.877 1.00 0.00 O ATOM 1500 OE2 GLU A 92 6.906 -0.365 -17.927 1.00 0.00 O ATOM 0 H GLU A 92 1.957 1.273 -16.389 1.00 0.00 H new ATOM 0 HA GLU A 92 2.443 -1.450 -16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.937 0.980 -16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.520 -0.238 -15.010 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.195 -1.697 -16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.019 -1.079 -17.862 1.00 0.00 H new ATOM 1507 N SER A 93 1.986 -0.339 -13.485 1.00 0.00 N ATOM 1508 CA SER A 93 1.736 -0.747 -12.112 1.00 0.00 C ATOM 1509 C SER A 93 0.641 -1.815 -12.074 1.00 0.00 C ATOM 1510 O SER A 93 0.682 -2.721 -11.244 1.00 0.00 O ATOM 1511 CB SER A 93 1.341 0.450 -11.246 1.00 0.00 C ATOM 1512 OG SER A 93 -0.072 0.558 -11.096 1.00 0.00 O ATOM 0 H SER A 93 1.876 0.660 -13.660 1.00 0.00 H new ATOM 0 HA SER A 93 2.657 -1.166 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.804 0.355 -10.264 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.729 1.365 -11.694 1.00 0.00 H new ATOM 0 HG SER A 93 -0.432 1.137 -11.800 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.312 -1.672 -12.984 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.416 -2.613 -13.064 1.00 0.00 C ATOM 1520 C LYS A 94 -0.912 -3.936 -13.644 1.00 0.00 C ATOM 1521 O LYS A 94 -1.156 -5.000 -13.077 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.583 -2.004 -13.845 1.00 0.00 C ATOM 1523 CG LYS A 94 -3.869 -2.031 -13.018 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.103 -1.965 -13.920 1.00 0.00 C ATOM 1525 CE LYS A 94 -5.727 -3.351 -14.098 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.077 -3.393 -13.493 1.00 0.00 N ATOM 0 H LYS A 94 -0.342 -0.919 -13.672 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.806 -2.829 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.345 -0.977 -14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.732 -2.556 -14.773 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.901 -2.941 -12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.877 -1.191 -12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.837 -1.284 -13.489 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.825 -1.560 -14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.790 -3.595 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.091 -4.105 -13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.486 -4.340 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.009 -3.181 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.686 -2.687 -13.954 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.217 -3.826 -14.767 1.00 0.00 N ATOM 1541 CA GLU A 95 0.323 -5.001 -15.430 1.00 0.00 C ATOM 1542 C GLU A 95 1.431 -5.627 -14.581 1.00 0.00 C ATOM 1543 O GLU A 95 1.811 -6.777 -14.799 1.00 0.00 O ATOM 1544 CB GLU A 95 0.836 -4.654 -16.829 1.00 0.00 C ATOM 1545 CG GLU A 95 2.302 -4.219 -16.784 1.00 0.00 C ATOM 1546 CD GLU A 95 3.223 -5.346 -17.258 1.00 0.00 C ATOM 1547 OE1 GLU A 95 2.945 -6.504 -16.877 1.00 0.00 O ATOM 1548 OE2 GLU A 95 4.183 -5.025 -17.991 1.00 0.00 O ATOM 0 H GLU A 95 -0.016 -2.942 -15.234 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.479 -5.731 -15.543 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.730 -5.519 -17.484 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.229 -3.855 -17.255 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.444 -3.340 -17.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.568 -3.930 -15.767 1.00 0.00 H new ATOM 1555 N LEU A 96 1.918 -4.844 -13.630 1.00 0.00 N ATOM 1556 CA LEU A 96 2.975 -5.307 -12.746 1.00 0.00 C ATOM 1557 C LEU A 96 2.403 -6.338 -11.771 1.00 0.00 C ATOM 1558 O LEU A 96 3.149 -7.100 -11.159 1.00 0.00 O ATOM 1559 CB LEU A 96 3.656 -4.122 -12.058 1.00 0.00 C ATOM 1560 CG LEU A 96 5.106 -3.854 -12.466 1.00 0.00 C ATOM 1561 CD1 LEU A 96 5.227 -3.677 -13.981 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.678 -2.658 -11.702 1.00 0.00 C ATOM 0 H LEU A 96 1.600 -3.891 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 96 3.757 -5.807 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.071 -3.225 -12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.627 -4.287 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 96 5.703 -4.725 -12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.268 -3.488 -14.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.886 -4.583 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.614 -2.834 -14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.710 -2.489 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.084 -1.770 -11.919 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.648 -2.862 -10.632 1.00 0.00 H new ATOM 1574 N GLY A 97 1.082 -6.329 -11.658 1.00 0.00 N ATOM 1575 CA GLY A 97 0.402 -7.254 -10.768 1.00 0.00 C ATOM 1576 C GLY A 97 -0.183 -6.522 -9.559 1.00 0.00 C ATOM 1577 O GLY A 97 -0.567 -7.150 -8.574 1.00 0.00 O ATOM 0 H GLY A 97 0.466 -5.696 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.395 -7.765 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.101 -8.020 -10.431 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.233 -5.203 -9.673 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.764 -4.378 -8.602 1.00 0.00 C ATOM 1583 C ALA A 98 -2.260 -4.658 -8.443 1.00 0.00 C ATOM 1584 O ALA A 98 -2.906 -5.147 -9.369 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.475 -2.905 -8.900 1.00 0.00 C ATOM 0 H ALA A 98 0.086 -4.685 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.280 -4.620 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.874 -2.286 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.602 -2.753 -8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.947 -2.625 -9.842 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.768 -4.335 -7.262 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.175 -4.546 -6.970 1.00 0.00 C ATOM 1593 C LEU A 99 -4.998 -3.428 -7.614 1.00 0.00 C ATOM 1594 O LEU A 99 -5.978 -3.694 -8.308 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.395 -4.681 -5.462 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.497 -5.689 -4.741 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -3.443 -7.016 -5.501 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.103 -5.107 -4.502 1.00 0.00 C ATOM 0 H LEU A 99 -2.230 -3.929 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.518 -5.485 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.249 -3.702 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.434 -4.962 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.931 -5.896 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.798 -7.715 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.447 -7.433 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.045 -6.846 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.485 -5.843 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.646 -4.853 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.184 -4.209 -3.889 1.00 0.00 H new ATOM 1610 N THR A 100 -4.570 -2.200 -7.360 1.00 0.00 N ATOM 1611 CA THR A 100 -5.254 -1.040 -7.905 1.00 0.00 C ATOM 1612 C THR A 100 -4.348 0.191 -7.847 1.00 0.00 C ATOM 1613 O THR A 100 -3.292 0.160 -7.216 1.00 0.00 O ATOM 1614 CB THR A 100 -6.568 -0.864 -7.141 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.334 0.011 -7.965 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.387 -0.085 -5.837 1.00 0.00 C ATOM 0 H THR A 100 -3.757 -1.983 -6.783 1.00 0.00 H new ATOM 0 HA THR A 100 -5.490 -1.180 -8.960 1.00 0.00 H new ATOM 0 HB THR A 100 -6.995 -1.843 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.204 0.178 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.349 0.012 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.691 -0.617 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.992 0.907 -6.057 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.792 1.246 -8.514 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.035 2.485 -8.546 1.00 0.00 C ATOM 1626 C HIS A 101 -4.972 3.667 -8.292 1.00 0.00 C ATOM 1627 O HIS A 101 -5.959 3.845 -9.005 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.260 2.614 -9.860 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.047 2.199 -11.080 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.216 2.678 -11.592 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -3.643 1.175 -11.919 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -5.510 1.986 -12.686 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -4.536 1.054 -12.890 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.667 1.268 -9.037 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.290 2.480 -7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.940 3.649 -9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.357 2.006 -9.799 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -5.771 3.439 -11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -2.752 0.577 -11.802 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.378 2.136 -13.311 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.631 4.443 -7.274 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.430 5.603 -6.917 1.00 0.00 C ATOM 1643 C PHE A 102 -4.730 6.899 -7.332 1.00 0.00 C ATOM 1644 O PHE A 102 -3.510 6.929 -7.486 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.587 5.586 -5.396 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.250 4.319 -4.852 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.403 3.862 -5.411 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.687 3.650 -3.811 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -8.018 2.685 -4.907 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.302 2.473 -3.307 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.454 2.016 -3.866 1.00 0.00 C ATOM 0 H PHE A 102 -3.812 4.291 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.393 5.563 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.604 5.694 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.177 6.451 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.851 4.394 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.772 4.014 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.933 2.321 -5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.855 1.941 -2.480 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.922 1.121 -3.483 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.533 7.940 -7.500 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.007 9.236 -7.893 1.00 0.00 C ATOM 1663 C ALA A 103 -4.881 10.127 -6.656 1.00 0.00 C ATOM 1664 O ALA A 103 -5.666 10.006 -5.717 1.00 0.00 O ATOM 1665 CB ALA A 103 -5.909 9.849 -8.966 1.00 0.00 C ATOM 0 H ALA A 103 -6.544 7.912 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.012 9.132 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.514 10.821 -9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.940 9.191 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.916 9.972 -8.568 1.00 0.00 H new ATOM 1671 N LYS A 104 -3.888 11.003 -6.696 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.649 11.914 -5.590 1.00 0.00 C ATOM 1673 C LYS A 104 -4.942 12.089 -4.790 1.00 0.00 C ATOM 1674 O LYS A 104 -4.990 11.771 -3.603 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.059 13.231 -6.098 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.588 13.362 -5.698 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.005 14.692 -6.181 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.493 15.526 -5.005 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.707 16.297 -5.400 1.00 0.00 N ATOM 0 H LYS A 104 -3.240 11.101 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.905 11.499 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.150 13.280 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.626 14.069 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.494 13.292 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.017 12.535 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.190 14.503 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.767 15.251 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.274 16.206 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.253 14.873 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.042 16.857 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.457 15.642 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.467 16.934 -6.186 1.00 0.00 H new ATOM 1693 N PRO A 105 -5.986 12.606 -5.492 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.276 12.827 -4.860 1.00 0.00 C ATOM 1695 C PRO A 105 -8.021 11.506 -4.660 1.00 0.00 C ATOM 1696 O PRO A 105 -8.728 11.045 -5.555 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.007 13.787 -5.784 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.291 13.705 -7.122 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.966 12.995 -6.899 1.00 0.00 C ATOM 0 HA PRO A 105 -7.188 13.249 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.056 13.509 -5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.983 14.803 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.898 13.162 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.126 14.703 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.868 12.125 -7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.123 13.651 -7.116 1.00 0.00 H new ATOM 1707 N PHE A 106 -7.838 10.933 -3.479 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.484 9.674 -3.150 1.00 0.00 C ATOM 1709 C PHE A 106 -9.199 9.761 -1.800 1.00 0.00 C ATOM 1710 O PHE A 106 -8.802 10.537 -0.932 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.383 8.615 -3.063 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.001 9.180 -2.728 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -5.828 9.937 -1.611 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -4.945 8.927 -3.547 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.546 10.462 -1.300 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.663 9.451 -3.236 1.00 0.00 C ATOM 1717 CZ PHE A 106 -3.491 10.208 -2.119 1.00 0.00 C ATOM 0 H PHE A 106 -7.252 11.318 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.226 9.428 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.658 7.881 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.327 8.085 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.666 10.139 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.082 8.327 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.409 11.063 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.825 9.249 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.516 10.607 -1.883 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.241 8.954 -1.665 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.015 8.930 -0.436 1.00 0.00 C ATOM 1729 C ASP A 107 -10.847 7.568 0.241 1.00 0.00 C ATOM 1730 O ASP A 107 -10.831 6.536 -0.428 1.00 0.00 O ATOM 1731 CB ASP A 107 -12.504 9.137 -0.718 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.183 10.204 0.143 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.741 10.364 1.301 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -14.129 10.834 -0.376 1.00 0.00 O ATOM 0 H ASP A 107 -10.567 8.312 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.654 9.735 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.626 9.407 -1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.022 8.189 -0.570 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.726 7.609 1.560 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.560 6.391 2.335 1.00 0.00 C ATOM 1741 C ILE A 108 -11.728 5.446 2.047 1.00 0.00 C ATOM 1742 O ILE A 108 -11.525 4.255 1.818 1.00 0.00 O ATOM 1743 CB ILE A 108 -10.385 6.720 3.819 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -9.137 6.042 4.387 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -11.644 6.361 4.611 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.254 4.519 4.304 1.00 0.00 C ATOM 0 H ILE A 108 -10.740 8.467 2.112 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.649 5.871 2.039 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.239 7.796 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.257 6.373 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.996 6.343 5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.494 6.604 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.491 6.928 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.845 5.294 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.354 4.062 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.121 4.189 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.371 4.219 3.263 1.00 0.00 H new ATOM 1758 N ASP A 109 -12.925 6.013 2.069 1.00 0.00 N ATOM 1759 CA ASP A 109 -14.126 5.235 1.814 1.00 0.00 C ATOM 1760 C ASP A 109 -13.919 4.382 0.561 1.00 0.00 C ATOM 1761 O ASP A 109 -14.371 3.240 0.502 1.00 0.00 O ATOM 1762 CB ASP A 109 -15.331 6.147 1.571 1.00 0.00 C ATOM 1763 CG ASP A 109 -16.346 6.195 2.715 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -16.893 5.117 3.035 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -16.552 7.308 3.245 1.00 0.00 O ATOM 0 H ASP A 109 -13.089 7.002 2.259 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.316 4.611 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.970 7.158 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.841 5.817 0.666 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.235 4.969 -0.410 1.00 0.00 N ATOM 1771 CA GLU A 110 -12.963 4.277 -1.658 1.00 0.00 C ATOM 1772 C GLU A 110 -11.927 3.173 -1.438 1.00 0.00 C ATOM 1773 O GLU A 110 -12.057 2.077 -1.982 1.00 0.00 O ATOM 1774 CB GLU A 110 -12.499 5.256 -2.738 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.220 6.600 -2.607 1.00 0.00 C ATOM 1776 CD GLU A 110 -13.902 6.986 -3.921 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.199 6.961 -4.955 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -15.110 7.299 -3.863 1.00 0.00 O ATOM 0 H GLU A 110 -12.861 5.916 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.888 3.817 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.423 5.408 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.689 4.832 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.962 6.543 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.507 7.373 -2.322 1.00 0.00 H new ATOM 1785 N ILE A 111 -10.923 3.499 -0.638 1.00 0.00 N ATOM 1786 CA ILE A 111 -9.866 2.548 -0.339 1.00 0.00 C ATOM 1787 C ILE A 111 -10.437 1.404 0.502 1.00 0.00 C ATOM 1788 O ILE A 111 -10.021 0.256 0.359 1.00 0.00 O ATOM 1789 CB ILE A 111 -8.677 3.256 0.314 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -7.781 3.909 -0.741 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -7.896 2.299 1.217 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -6.552 4.552 -0.094 1.00 0.00 C ATOM 0 H ILE A 111 -10.819 4.408 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 111 -9.480 2.107 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.062 4.054 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.464 3.161 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.346 4.664 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.057 2.828 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.552 1.923 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.522 1.464 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.932 5.009 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.872 5.316 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.976 3.789 0.430 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.382 1.758 1.360 1.00 0.00 N ATOM 1805 CA ARG A 112 -12.015 0.776 2.224 1.00 0.00 C ATOM 1806 C ARG A 112 -12.786 -0.247 1.387 1.00 0.00 C ATOM 1807 O ARG A 112 -13.096 -1.338 1.865 1.00 0.00 O ATOM 1808 CB ARG A 112 -12.975 1.446 3.209 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.214 2.327 4.202 1.00 0.00 C ATOM 1810 CD ARG A 112 -13.071 2.635 5.431 1.00 0.00 C ATOM 1811 NE ARG A 112 -12.702 1.734 6.545 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.222 1.811 7.778 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.136 2.749 8.062 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.828 0.951 8.726 1.00 0.00 N ATOM 0 H ARG A 112 -11.725 2.712 1.476 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.229 0.273 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.700 2.050 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.537 0.685 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.297 1.825 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.920 3.258 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.931 3.674 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.127 2.513 5.188 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.008 1.009 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.436 3.404 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.532 2.808 9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.132 0.237 8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.224 1.010 9.664 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.075 0.141 0.154 1.00 0.00 N ATOM 1829 CA ASP A 113 -13.804 -0.729 -0.753 1.00 0.00 C ATOM 1830 C ASP A 113 -12.862 -1.814 -1.280 1.00 0.00 C ATOM 1831 O ASP A 113 -13.145 -3.003 -1.149 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.342 0.053 -1.953 1.00 0.00 C ATOM 1833 CG ASP A 113 -15.850 -0.070 -2.181 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.320 -1.226 -2.257 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -16.499 0.994 -2.275 1.00 0.00 O ATOM 0 H ASP A 113 -12.817 1.047 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.638 -1.166 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.094 1.106 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.825 -0.287 -2.850 1.00 0.00 H new ATOM 1840 N ALA A 114 -11.762 -1.364 -1.865 1.00 0.00 N ATOM 1841 CA ALA A 114 -10.777 -2.281 -2.412 1.00 0.00 C ATOM 1842 C ALA A 114 -10.233 -3.168 -1.290 1.00 0.00 C ATOM 1843 O ALA A 114 -10.007 -4.360 -1.491 1.00 0.00 O ATOM 1844 CB ALA A 114 -9.673 -1.487 -3.114 1.00 0.00 C ATOM 0 H ALA A 114 -11.531 -0.376 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.233 -2.933 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.934 -2.176 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.107 -0.897 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.191 -0.822 -2.397 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.040 -2.551 -0.133 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.527 -3.270 1.021 1.00 0.00 C ATOM 1852 C VAL A 115 -10.605 -4.221 1.545 1.00 0.00 C ATOM 1853 O VAL A 115 -10.301 -5.331 1.979 1.00 0.00 O ATOM 1854 CB VAL A 115 -9.038 -2.279 2.079 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -8.736 -2.992 3.399 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -7.816 -1.504 1.582 1.00 0.00 C ATOM 0 H VAL A 115 -10.230 -1.562 0.030 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.666 -3.878 0.741 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.838 -1.561 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.390 -2.265 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.641 -3.477 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.962 -3.742 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.489 -0.807 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.009 -2.202 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.078 -0.951 0.680 1.00 0.00 H new