USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 38 LYS NZ :NH3+ 166:sc= 0.391 (180deg=0) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.355 K(o=0.75,f=-0.19) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.587 K(o=0.59,f=0.0095) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc=-0.00676 K(o=-0.0068,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= 0.178 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.8!) USER MOD Single : A 26 MET CE :methyl -179:sc= 0 (180deg=-0.000491) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 34 MET CE :methyl 162:sc= -0.598 (180deg=-1.36) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 93:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 12.310 4.938 4.281 1.00 0.00 N ATOM 41 CA ALA A 3 11.361 3.936 4.749 1.00 0.00 C ATOM 42 C ALA A 3 11.446 3.640 6.239 1.00 0.00 C ATOM 43 O ALA A 3 10.816 2.676 6.640 1.00 0.00 O ATOM 44 CB ALA A 3 11.377 2.661 3.916 1.00 0.00 C ATOM 0 HA ALA A 3 10.388 4.403 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.649 1.956 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.123 2.898 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.371 2.215 3.952 1.00 0.00 H new ATOM 50 N SER A 4 12.293 4.284 7.043 1.00 0.00 N ATOM 51 CA SER A 4 12.598 3.835 8.409 1.00 0.00 C ATOM 52 C SER A 4 11.347 3.575 9.267 1.00 0.00 C ATOM 53 O SER A 4 11.401 2.704 10.131 1.00 0.00 O ATOM 54 CB SER A 4 13.554 4.822 9.088 1.00 0.00 C ATOM 55 OG SER A 4 14.841 4.743 8.495 1.00 0.00 O ATOM 0 H SER A 4 12.789 5.132 6.769 1.00 0.00 H new ATOM 0 HA SER A 4 13.090 2.866 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.166 5.836 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.622 4.600 10.153 1.00 0.00 H new ATOM 0 HG SER A 4 15.443 5.379 8.935 1.00 0.00 H new ATOM 61 N GLU A 5 10.241 4.255 8.967 1.00 0.00 N ATOM 62 CA GLU A 5 8.864 3.958 9.352 1.00 0.00 C ATOM 63 C GLU A 5 8.372 2.601 8.791 1.00 0.00 C ATOM 64 O GLU A 5 8.207 1.627 9.513 1.00 0.00 O ATOM 65 CB GLU A 5 7.987 5.166 8.929 1.00 0.00 C ATOM 66 CG GLU A 5 8.161 5.647 7.463 1.00 0.00 C ATOM 67 CD GLU A 5 7.578 7.038 7.195 1.00 0.00 C ATOM 68 OE1 GLU A 5 8.119 8.031 7.733 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.668 7.149 6.339 1.00 0.00 O ATOM 0 H GLU A 5 10.291 5.101 8.399 1.00 0.00 H new ATOM 0 HA GLU A 5 8.792 3.831 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.941 4.903 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.207 6.001 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.223 5.655 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.684 4.929 6.796 1.00 0.00 H new ATOM 76 N LEU A 6 8.158 2.496 7.482 1.00 0.00 N ATOM 77 CA LEU A 6 7.580 1.336 6.793 1.00 0.00 C ATOM 78 C LEU A 6 8.415 0.068 6.918 1.00 0.00 C ATOM 79 O LEU A 6 7.858 -1.015 7.066 1.00 0.00 O ATOM 80 CB LEU A 6 7.425 1.720 5.305 1.00 0.00 C ATOM 81 CG LEU A 6 6.164 2.562 5.042 1.00 0.00 C ATOM 82 CD1 LEU A 6 6.218 3.049 3.595 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.848 1.810 5.254 1.00 0.00 C ATOM 0 H LEU A 6 8.393 3.252 6.838 1.00 0.00 H new ATOM 0 HA LEU A 6 6.624 1.101 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.304 2.278 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.385 0.813 4.701 1.00 0.00 H new ATOM 0 HG LEU A 6 6.170 3.378 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.334 3.650 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.113 3.654 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.245 2.191 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.011 2.477 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.805 0.954 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.789 1.463 6.286 1.00 0.00 H new ATOM 95 N ARG A 7 9.738 0.164 6.850 1.00 0.00 N ATOM 96 CA ARG A 7 10.659 -0.950 7.006 1.00 0.00 C ATOM 97 C ARG A 7 10.732 -1.423 8.459 1.00 0.00 C ATOM 98 O ARG A 7 11.399 -2.421 8.720 1.00 0.00 O ATOM 99 CB ARG A 7 12.032 -0.475 6.499 1.00 0.00 C ATOM 100 CG ARG A 7 13.008 -1.627 6.249 1.00 0.00 C ATOM 101 CD ARG A 7 14.118 -1.748 7.302 1.00 0.00 C ATOM 102 NE ARG A 7 14.885 -2.984 7.099 1.00 0.00 N ATOM 103 CZ ARG A 7 14.907 -4.067 7.888 1.00 0.00 C ATOM 104 NH1 ARG A 7 14.204 -4.139 9.012 1.00 0.00 N ATOM 105 NH2 ARG A 7 15.630 -5.115 7.529 1.00 0.00 N ATOM 0 H ARG A 7 10.212 1.051 6.679 1.00 0.00 H new ATOM 0 HA ARG A 7 10.315 -1.809 6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.897 0.087 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.466 0.210 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.449 -2.562 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.465 -1.495 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.782 -0.886 7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.682 -1.743 8.301 1.00 0.00 H new ATOM 0 HE ARG A 7 15.467 -3.022 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.622 -3.353 9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.246 -4.981 9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.163 -5.093 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.654 -5.945 8.122 1.00 0.00 H new ATOM 119 N ASN A 8 10.114 -0.696 9.390 1.00 0.00 N ATOM 120 CA ASN A 8 10.164 -1.025 10.813 1.00 0.00 C ATOM 121 C ASN A 8 9.183 -2.126 11.189 1.00 0.00 C ATOM 122 O ASN A 8 9.291 -2.660 12.291 1.00 0.00 O ATOM 123 CB ASN A 8 9.850 0.200 11.690 1.00 0.00 C ATOM 124 CG ASN A 8 10.834 0.354 12.831 1.00 0.00 C ATOM 125 OD1 ASN A 8 10.856 -0.396 13.798 1.00 0.00 O ATOM 126 ND2 ASN A 8 11.702 1.342 12.749 1.00 0.00 N ATOM 0 H ASN A 8 9.565 0.137 9.178 1.00 0.00 H new ATOM 0 HA ASN A 8 11.183 -1.368 10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.867 1.099 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.841 0.108 12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.389 1.480 13.490 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.687 1.969 11.945 1.00 0.00 H new ATOM 133 N TYR A 9 8.186 -2.434 10.351 1.00 0.00 N ATOM 134 CA TYR A 9 7.206 -3.426 10.678 1.00 0.00 C ATOM 135 C TYR A 9 7.887 -4.798 10.779 1.00 0.00 C ATOM 136 O TYR A 9 8.959 -5.007 10.200 1.00 0.00 O ATOM 137 CB TYR A 9 5.995 -3.227 9.755 1.00 0.00 C ATOM 138 CG TYR A 9 5.194 -1.971 10.025 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.703 -1.686 11.309 1.00 0.00 C ATOM 140 CD2 TYR A 9 4.944 -1.084 8.962 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.933 -0.530 11.527 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.153 0.062 9.168 1.00 0.00 C ATOM 143 CZ TYR A 9 3.625 0.330 10.450 1.00 0.00 C ATOM 144 OH TYR A 9 2.822 1.410 10.648 1.00 0.00 O ATOM 0 H TYR A 9 8.053 -1.996 9.440 1.00 0.00 H new ATOM 0 HA TYR A 9 6.765 -3.333 11.670 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.342 -3.205 8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.336 -4.090 9.852 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.917 -2.355 12.130 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.360 -1.283 7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.576 -0.299 12.520 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.950 0.735 8.348 1.00 0.00 H new ATOM 0 HH TYR A 9 2.713 1.896 9.804 1.00 0.00 H new ATOM 154 N THR A 10 7.326 -5.716 11.565 1.00 0.00 N ATOM 155 CA THR A 10 7.845 -7.078 11.616 1.00 0.00 C ATOM 156 C THR A 10 7.494 -7.798 10.324 1.00 0.00 C ATOM 157 O THR A 10 6.561 -7.391 9.647 1.00 0.00 O ATOM 158 CB THR A 10 7.236 -7.845 12.784 1.00 0.00 C ATOM 159 OG1 THR A 10 5.819 -7.806 12.754 1.00 0.00 O ATOM 160 CG2 THR A 10 7.723 -7.292 14.121 1.00 0.00 C ATOM 0 H THR A 10 6.522 -5.543 12.168 1.00 0.00 H new ATOM 0 HA THR A 10 8.926 -7.031 11.746 1.00 0.00 H new ATOM 0 HB THR A 10 7.562 -8.880 12.682 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.462 -8.309 13.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.272 -7.859 14.935 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.808 -7.378 14.177 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.437 -6.244 14.207 1.00 0.00 H new ATOM 168 N ASP A 11 8.151 -8.907 9.987 1.00 0.00 N ATOM 169 CA ASP A 11 7.888 -9.661 8.757 1.00 0.00 C ATOM 170 C ASP A 11 6.411 -10.049 8.622 1.00 0.00 C ATOM 171 O ASP A 11 5.921 -10.215 7.507 1.00 0.00 O ATOM 172 CB ASP A 11 8.780 -10.905 8.715 1.00 0.00 C ATOM 173 CG ASP A 11 10.059 -10.666 7.914 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.027 -10.101 8.469 1.00 0.00 O ATOM 175 OD2 ASP A 11 10.101 -11.023 6.714 1.00 0.00 O ATOM 0 H ASP A 11 8.888 -9.313 10.564 1.00 0.00 H new ATOM 0 HA ASP A 11 8.124 -9.016 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.039 -11.200 9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.226 -11.734 8.274 1.00 0.00 H new ATOM 180 N GLU A 12 5.706 -10.157 9.747 1.00 0.00 N ATOM 181 CA GLU A 12 4.277 -10.402 9.840 1.00 0.00 C ATOM 182 C GLU A 12 3.462 -9.113 9.653 1.00 0.00 C ATOM 183 O GLU A 12 2.522 -9.099 8.862 1.00 0.00 O ATOM 184 CB GLU A 12 4.020 -11.010 11.227 1.00 0.00 C ATOM 185 CG GLU A 12 2.755 -11.882 11.293 1.00 0.00 C ATOM 186 CD GLU A 12 3.033 -13.361 11.595 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.113 -13.721 12.119 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.174 -14.216 11.280 1.00 0.00 O ATOM 0 H GLU A 12 6.144 -10.071 10.664 1.00 0.00 H new ATOM 0 HA GLU A 12 3.961 -11.079 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.882 -11.612 11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.935 -10.205 11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.091 -11.484 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.225 -11.809 10.343 1.00 0.00 H new ATOM 195 N GLU A 13 3.802 -8.024 10.352 1.00 0.00 N ATOM 196 CA GLU A 13 3.105 -6.749 10.190 1.00 0.00 C ATOM 197 C GLU A 13 3.290 -6.219 8.779 1.00 0.00 C ATOM 198 O GLU A 13 2.332 -5.739 8.193 1.00 0.00 O ATOM 199 CB GLU A 13 3.591 -5.703 11.207 1.00 0.00 C ATOM 200 CG GLU A 13 2.858 -5.855 12.549 1.00 0.00 C ATOM 201 CD GLU A 13 2.240 -4.556 13.065 1.00 0.00 C ATOM 202 OE1 GLU A 13 2.961 -3.550 13.235 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.017 -4.562 13.343 1.00 0.00 O ATOM 0 H GLU A 13 4.558 -8.003 11.036 1.00 0.00 H new ATOM 0 HA GLU A 13 2.046 -6.931 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.665 -5.812 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.426 -4.701 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.072 -6.602 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.558 -6.234 13.294 1.00 0.00 H new ATOM 210 N LEU A 14 4.492 -6.341 8.215 1.00 0.00 N ATOM 211 CA LEU A 14 4.892 -5.837 6.919 1.00 0.00 C ATOM 212 C LEU A 14 3.899 -6.366 5.918 1.00 0.00 C ATOM 213 O LEU A 14 3.161 -5.585 5.334 1.00 0.00 O ATOM 214 CB LEU A 14 6.342 -6.263 6.588 1.00 0.00 C ATOM 215 CG LEU A 14 7.395 -5.513 7.417 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.720 -6.262 7.468 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.696 -4.086 6.979 1.00 0.00 C ATOM 0 H LEU A 14 5.254 -6.827 8.688 1.00 0.00 H new ATOM 0 HA LEU A 14 4.890 -4.747 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.448 -7.334 6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.532 -6.091 5.529 1.00 0.00 H new ATOM 0 HG LEU A 14 6.923 -5.460 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.435 -5.696 8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.567 -7.242 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.108 -6.385 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.453 -3.656 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.065 -4.090 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.786 -3.489 7.034 1.00 0.00 H new ATOM 229 N LYS A 15 3.825 -7.678 5.708 1.00 0.00 N ATOM 230 CA LYS A 15 2.852 -8.216 4.781 1.00 0.00 C ATOM 231 C LYS A 15 1.454 -7.756 5.124 1.00 0.00 C ATOM 232 O LYS A 15 0.771 -7.305 4.222 1.00 0.00 O ATOM 233 CB LYS A 15 2.925 -9.750 4.695 1.00 0.00 C ATOM 234 CG LYS A 15 2.910 -10.564 6.010 1.00 0.00 C ATOM 235 CD LYS A 15 1.495 -11.014 6.446 1.00 0.00 C ATOM 236 CE LYS A 15 1.464 -12.217 7.397 1.00 0.00 C ATOM 237 NZ LYS A 15 1.712 -13.498 6.705 1.00 0.00 N ATOM 0 H LYS A 15 4.419 -8.372 6.162 1.00 0.00 H new ATOM 0 HA LYS A 15 3.102 -7.825 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.087 -10.088 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.836 -10.009 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.541 -11.445 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.351 -9.962 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.996 -10.174 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.917 -11.259 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.214 -12.079 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.494 -12.258 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.680 -14.277 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.982 -13.647 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.649 -13.473 6.254 1.00 0.00 H new ATOM 251 N ASN A 16 1.047 -7.778 6.384 1.00 0.00 N ATOM 252 CA ASN A 16 -0.329 -7.484 6.756 1.00 0.00 C ATOM 253 C ASN A 16 -0.682 -5.994 6.619 1.00 0.00 C ATOM 254 O ASN A 16 -1.815 -5.588 6.887 1.00 0.00 O ATOM 255 CB ASN A 16 -0.493 -7.921 8.214 1.00 0.00 C ATOM 256 CG ASN A 16 -1.921 -8.245 8.607 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.818 -8.398 7.784 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.140 -8.482 9.882 1.00 0.00 N ATOM 0 H ASN A 16 1.656 -7.998 7.172 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.002 -8.017 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.129 -8.798 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.120 -7.129 8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.060 -8.795 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.390 -8.353 10.561 1.00 0.00 H new ATOM 265 N LEU A 17 0.294 -5.170 6.241 1.00 0.00 N ATOM 266 CA LEU A 17 0.235 -3.720 6.097 1.00 0.00 C ATOM 267 C LEU A 17 0.322 -3.388 4.621 1.00 0.00 C ATOM 268 O LEU A 17 -0.472 -2.639 4.059 1.00 0.00 O ATOM 269 CB LEU A 17 1.450 -3.167 6.854 1.00 0.00 C ATOM 270 CG LEU A 17 1.808 -1.685 6.756 1.00 0.00 C ATOM 271 CD1 LEU A 17 2.638 -1.372 5.504 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.606 -0.755 6.870 1.00 0.00 C ATOM 0 H LEU A 17 1.220 -5.530 6.009 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.686 -3.291 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.304 -3.395 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.321 -3.732 6.523 1.00 0.00 H new ATOM 0 HG LEU A 17 2.429 -1.484 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.869 -0.307 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.566 -1.944 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.070 -1.643 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.938 0.280 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.099 -0.972 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.118 -0.907 7.833 1.00 0.00 H new ATOM 284 N LEU A 18 1.322 -3.958 3.962 1.00 0.00 N ATOM 285 CA LEU A 18 1.532 -3.704 2.546 1.00 0.00 C ATOM 286 C LEU A 18 0.477 -4.433 1.743 1.00 0.00 C ATOM 287 O LEU A 18 0.113 -3.964 0.665 1.00 0.00 O ATOM 288 CB LEU A 18 2.918 -4.124 2.027 1.00 0.00 C ATOM 289 CG LEU A 18 4.151 -4.035 2.941 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.900 -5.350 2.985 1.00 0.00 C ATOM 291 CD2 LEU A 18 5.211 -3.036 2.498 1.00 0.00 C ATOM 0 H LEU A 18 1.997 -4.596 4.384 1.00 0.00 H new ATOM 0 HA LEU A 18 1.463 -2.623 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.837 -5.159 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.128 -3.521 1.144 1.00 0.00 H new ATOM 0 HG LEU A 18 3.718 -3.734 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.766 -5.254 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.242 -6.131 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.232 -5.614 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.040 -3.047 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.576 -3.308 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.777 -2.037 2.462 1.00 0.00 H new ATOM 303 N GLU A 19 0.005 -5.577 2.222 1.00 0.00 N ATOM 304 CA GLU A 19 -1.166 -6.204 1.639 1.00 0.00 C ATOM 305 C GLU A 19 -2.397 -5.332 1.823 1.00 0.00 C ATOM 306 O GLU A 19 -3.262 -5.383 0.954 1.00 0.00 O ATOM 307 CB GLU A 19 -1.401 -7.631 2.152 1.00 0.00 C ATOM 308 CG GLU A 19 -2.265 -7.831 3.401 1.00 0.00 C ATOM 309 CD GLU A 19 -2.416 -9.326 3.722 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.921 -10.189 2.951 1.00 0.00 O ATOM 311 OE2 GLU A 19 -3.151 -9.676 4.671 1.00 0.00 O ATOM 0 H GLU A 19 0.414 -6.084 3.007 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.972 -6.299 0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.854 -8.203 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.426 -8.076 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.813 -7.316 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.248 -7.386 3.245 1.00 0.00 H new ATOM 318 N GLU A 20 -2.465 -4.548 2.906 1.00 0.00 N ATOM 319 CA GLU A 20 -3.606 -3.714 3.247 1.00 0.00 C ATOM 320 C GLU A 20 -3.730 -2.559 2.267 1.00 0.00 C ATOM 321 O GLU A 20 -4.750 -2.450 1.601 1.00 0.00 O ATOM 322 CB GLU A 20 -3.544 -3.232 4.697 1.00 0.00 C ATOM 323 CG GLU A 20 -4.875 -2.612 5.140 1.00 0.00 C ATOM 324 CD GLU A 20 -4.892 -2.545 6.671 1.00 0.00 C ATOM 325 OE1 GLU A 20 -5.301 -3.541 7.304 1.00 0.00 O ATOM 326 OE2 GLU A 20 -4.441 -1.535 7.255 1.00 0.00 O ATOM 0 H GLU A 20 -1.704 -4.480 3.582 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.507 -4.322 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.296 -4.069 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.746 -2.497 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.989 -1.614 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.711 -3.210 4.777 1.00 0.00 H new ATOM 333 N LYS A 21 -2.690 -1.742 2.100 1.00 0.00 N ATOM 334 CA LYS A 21 -2.610 -0.725 1.085 1.00 0.00 C ATOM 335 C LYS A 21 -2.889 -1.418 -0.260 1.00 0.00 C ATOM 336 O LYS A 21 -3.869 -1.071 -0.919 1.00 0.00 O ATOM 337 CB LYS A 21 -1.238 -0.037 1.245 1.00 0.00 C ATOM 338 CG LYS A 21 -0.941 0.629 2.603 1.00 0.00 C ATOM 339 CD LYS A 21 -1.870 1.734 3.103 1.00 0.00 C ATOM 340 CE LYS A 21 -1.682 3.089 2.405 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.272 4.178 3.210 1.00 0.00 N ATOM 0 H LYS A 21 -1.861 -1.782 2.693 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.345 0.077 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.463 -0.780 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.148 0.723 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.927 -0.156 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.066 1.043 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.902 1.411 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.713 1.866 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.620 3.279 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.149 3.064 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.703 5.041 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.244 4.359 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.284 3.901 4.212 1.00 0.00 H new ATOM 355 N LYS A 22 -2.099 -2.417 -0.692 1.00 0.00 N ATOM 356 CA LYS A 22 -2.332 -3.118 -1.963 1.00 0.00 C ATOM 357 C LYS A 22 -3.802 -3.501 -2.169 1.00 0.00 C ATOM 358 O LYS A 22 -4.284 -3.255 -3.282 1.00 0.00 O ATOM 359 CB LYS A 22 -1.401 -4.337 -2.116 1.00 0.00 C ATOM 360 CG LYS A 22 -1.661 -5.052 -3.452 1.00 0.00 C ATOM 361 CD LYS A 22 -0.800 -6.286 -3.744 1.00 0.00 C ATOM 362 CE LYS A 22 -1.478 -7.004 -4.923 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.701 -8.131 -5.464 1.00 0.00 N ATOM 0 H LYS A 22 -1.289 -2.757 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.085 -2.411 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.361 -4.015 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.561 -5.029 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.709 -5.352 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.513 -4.334 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.221 -5.999 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.742 -6.937 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.453 -7.370 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.656 -6.283 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.221 -8.564 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.220 -7.787 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.552 -8.840 -4.718 1.00 0.00 H new ATOM 377 N ARG A 23 -4.504 -4.091 -1.181 1.00 0.00 N ATOM 378 CA ARG A 23 -5.912 -4.379 -1.369 1.00 0.00 C ATOM 379 C ARG A 23 -6.665 -3.073 -1.449 1.00 0.00 C ATOM 380 O ARG A 23 -7.328 -2.893 -2.448 1.00 0.00 O ATOM 381 CB ARG A 23 -6.494 -5.353 -0.338 1.00 0.00 C ATOM 382 CG ARG A 23 -6.500 -4.864 1.110 1.00 0.00 C ATOM 383 CD ARG A 23 -7.096 -5.810 2.134 1.00 0.00 C ATOM 384 NE ARG A 23 -6.590 -7.185 2.032 1.00 0.00 N ATOM 385 CZ ARG A 23 -7.220 -8.222 1.463 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.393 -8.085 0.840 1.00 0.00 N ATOM 387 NH2 ARG A 23 -6.645 -9.419 1.499 1.00 0.00 N ATOM 0 H ARG A 23 -4.121 -4.365 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.029 -4.917 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.518 -5.588 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.928 -6.283 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.473 -4.646 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.050 -3.924 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.887 -5.428 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.180 -5.821 2.018 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.670 -7.368 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.838 -7.169 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.844 -8.897 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.740 -9.536 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.109 -10.221 1.072 1.00 0.00 H new ATOM 401 N GLN A 24 -6.560 -2.159 -0.486 1.00 0.00 N ATOM 402 CA GLN A 24 -7.325 -0.930 -0.387 1.00 0.00 C ATOM 403 C GLN A 24 -7.411 -0.215 -1.729 1.00 0.00 C ATOM 404 O GLN A 24 -8.480 0.244 -2.104 1.00 0.00 O ATOM 405 CB GLN A 24 -6.685 0.004 0.638 1.00 0.00 C ATOM 406 CG GLN A 24 -7.091 -0.217 2.114 1.00 0.00 C ATOM 407 CD GLN A 24 -7.196 1.082 2.923 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.061 2.197 2.415 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.444 1.002 4.215 1.00 0.00 N ATOM 0 H GLN A 24 -5.901 -2.268 0.285 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.334 -1.195 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.602 -0.096 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.930 1.030 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.051 -0.733 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.361 -0.873 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.559 0.090 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.521 1.852 4.773 1.00 0.00 H new ATOM 418 N LEU A 25 -6.334 -0.144 -2.507 1.00 0.00 N ATOM 419 CA LEU A 25 -6.429 0.387 -3.862 1.00 0.00 C ATOM 420 C LEU A 25 -7.492 -0.335 -4.692 1.00 0.00 C ATOM 421 O LEU A 25 -8.367 0.307 -5.280 1.00 0.00 O ATOM 422 CB LEU A 25 -5.055 0.276 -4.522 1.00 0.00 C ATOM 423 CG LEU A 25 -5.060 0.558 -6.030 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.475 2.014 -6.229 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.675 0.356 -6.642 1.00 0.00 C ATOM 0 H LEU A 25 -5.400 -0.443 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.738 1.431 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.373 0.973 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.662 -0.726 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.749 -0.131 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.488 2.246 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.470 2.169 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.764 2.667 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.716 0.564 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.965 1.033 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.355 -0.674 -6.485 1.00 0.00 H new ATOM 437 N MET A 26 -7.369 -1.655 -4.783 1.00 0.00 N ATOM 438 CA MET A 26 -8.316 -2.521 -5.473 1.00 0.00 C ATOM 439 C MET A 26 -9.689 -2.619 -4.788 1.00 0.00 C ATOM 440 O MET A 26 -10.669 -2.949 -5.459 1.00 0.00 O ATOM 441 CB MET A 26 -7.716 -3.927 -5.621 1.00 0.00 C ATOM 442 CG MET A 26 -6.417 -3.911 -6.431 1.00 0.00 C ATOM 443 SD MET A 26 -6.580 -3.303 -8.130 1.00 0.00 S ATOM 444 CE MET A 26 -7.284 -4.795 -8.878 1.00 0.00 C ATOM 0 H MET A 26 -6.588 -2.164 -4.368 1.00 0.00 H new ATOM 0 HA MET A 26 -8.491 -2.065 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.523 -4.345 -4.633 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.439 -4.581 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.688 -3.292 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.013 -4.923 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.443 -4.628 -9.943 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.597 -5.630 -8.741 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.236 -5.027 -8.401 1.00 0.00 H new ATOM 454 N GLU A 27 -9.796 -2.318 -3.496 1.00 0.00 N ATOM 455 CA GLU A 27 -10.999 -2.525 -2.693 1.00 0.00 C ATOM 456 C GLU A 27 -11.822 -1.247 -2.725 1.00 0.00 C ATOM 457 O GLU A 27 -13.028 -1.274 -2.914 1.00 0.00 O ATOM 458 CB GLU A 27 -10.657 -2.860 -1.238 1.00 0.00 C ATOM 459 CG GLU A 27 -9.717 -4.057 -1.078 1.00 0.00 C ATOM 460 CD GLU A 27 -10.359 -5.347 -0.617 1.00 0.00 C ATOM 461 OE1 GLU A 27 -11.022 -5.980 -1.465 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.095 -5.782 0.530 1.00 0.00 O ATOM 0 H GLU A 27 -9.027 -1.912 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.555 -3.365 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.199 -1.987 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.581 -3.062 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.227 -4.240 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.936 -3.788 -0.366 1.00 0.00 H new ATOM 469 N LEU A 28 -11.187 -0.085 -2.606 1.00 0.00 N ATOM 470 CA LEU A 28 -11.873 1.185 -2.649 1.00 0.00 C ATOM 471 C LEU A 28 -12.412 1.398 -4.061 1.00 0.00 C ATOM 472 O LEU A 28 -13.572 1.774 -4.233 1.00 0.00 O ATOM 473 CB LEU A 28 -10.909 2.276 -2.176 1.00 0.00 C ATOM 474 CG LEU A 28 -10.442 2.131 -0.710 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.279 3.094 -0.488 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.539 2.378 0.320 1.00 0.00 C ATOM 0 H LEU A 28 -10.178 -0.006 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.732 1.216 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.033 2.274 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.392 3.246 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.139 1.095 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.930 3.012 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.465 2.844 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.611 4.115 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.130 2.257 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.925 3.391 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.348 1.663 0.169 1.00 0.00 H new ATOM 488 N ARG A 29 -11.652 1.050 -5.107 1.00 0.00 N ATOM 489 CA ARG A 29 -12.215 1.081 -6.465 1.00 0.00 C ATOM 490 C ARG A 29 -13.438 0.165 -6.588 1.00 0.00 C ATOM 491 O ARG A 29 -14.319 0.452 -7.395 1.00 0.00 O ATOM 492 CB ARG A 29 -11.176 0.796 -7.565 1.00 0.00 C ATOM 493 CG ARG A 29 -10.674 -0.653 -7.576 1.00 0.00 C ATOM 494 CD ARG A 29 -9.760 -1.006 -8.758 1.00 0.00 C ATOM 495 NE ARG A 29 -10.534 -1.047 -10.011 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.602 -0.081 -10.936 1.00 0.00 C ATOM 497 NH1 ARG A 29 -9.677 0.877 -10.972 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.604 -0.075 -11.804 1.00 0.00 N ATOM 0 H ARG A 29 -10.678 0.753 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.547 2.106 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.615 1.027 -8.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.326 1.465 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.135 -0.844 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.535 -1.321 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.961 -0.269 -8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.286 -1.972 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.071 -1.895 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.915 0.876 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.731 1.612 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.317 -0.803 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.662 0.658 -12.511 1.00 0.00 H new ATOM 512 N PHE A 30 -13.512 -0.894 -5.783 1.00 0.00 N ATOM 513 CA PHE A 30 -14.644 -1.794 -5.714 1.00 0.00 C ATOM 514 C PHE A 30 -15.778 -1.188 -4.866 1.00 0.00 C ATOM 515 O PHE A 30 -16.937 -1.428 -5.196 1.00 0.00 O ATOM 516 CB PHE A 30 -14.127 -3.155 -5.223 1.00 0.00 C ATOM 517 CG PHE A 30 -15.131 -4.276 -5.103 1.00 0.00 C ATOM 518 CD1 PHE A 30 -15.938 -4.359 -3.955 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.177 -5.298 -6.071 1.00 0.00 C ATOM 520 CE1 PHE A 30 -16.763 -5.475 -3.759 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.002 -6.417 -5.868 1.00 0.00 C ATOM 522 CZ PHE A 30 -16.780 -6.513 -4.702 1.00 0.00 C ATOM 0 H PHE A 30 -12.759 -1.150 -5.145 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.099 -1.948 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.338 -3.480 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.667 -3.008 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.922 -3.564 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.579 -5.222 -6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.387 -5.536 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.038 -7.203 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.392 -7.387 -4.532 1.00 0.00 H new ATOM 532 N GLN A 31 -15.531 -0.306 -3.879 1.00 0.00 N ATOM 533 CA GLN A 31 -16.593 0.395 -3.191 1.00 0.00 C ATOM 534 C GLN A 31 -17.177 1.391 -4.175 1.00 0.00 C ATOM 535 O GLN A 31 -18.371 1.648 -4.136 1.00 0.00 O ATOM 536 CB GLN A 31 -16.061 1.101 -1.932 1.00 0.00 C ATOM 537 CG GLN A 31 -15.592 0.090 -0.883 1.00 0.00 C ATOM 538 CD GLN A 31 -15.325 0.714 0.489 1.00 0.00 C ATOM 539 OE1 GLN A 31 -14.894 1.861 0.605 1.00 0.00 O ATOM 540 NE2 GLN A 31 -15.560 -0.044 1.547 1.00 0.00 N ATOM 0 H GLN A 31 -14.594 -0.072 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.360 -0.302 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.234 1.757 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.843 1.731 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.347 -0.690 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.681 -0.393 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.917 -0.992 1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.384 0.319 2.484 1.00 0.00 H new ATOM 549 N LEU A 32 -16.366 1.946 -5.077 1.00 0.00 N ATOM 550 CA LEU A 32 -16.860 2.846 -6.109 1.00 0.00 C ATOM 551 C LEU A 32 -17.680 2.087 -7.140 1.00 0.00 C ATOM 552 O LEU A 32 -18.745 2.557 -7.532 1.00 0.00 O ATOM 553 CB LEU A 32 -15.715 3.589 -6.803 1.00 0.00 C ATOM 554 CG LEU A 32 -16.234 4.806 -7.588 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.710 5.898 -6.622 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.127 5.348 -8.492 1.00 0.00 C ATOM 0 H LEU A 32 -15.359 1.784 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.497 3.581 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.987 3.916 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.196 2.911 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.078 4.496 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.075 6.753 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.514 5.507 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.880 6.211 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.499 6.210 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.274 5.649 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.817 4.573 -9.193 1.00 0.00 H new ATOM 568 N ALA A 33 -17.193 0.920 -7.568 1.00 0.00 N ATOM 569 CA ALA A 33 -17.912 0.034 -8.469 1.00 0.00 C ATOM 570 C ALA A 33 -19.296 -0.297 -7.912 1.00 0.00 C ATOM 571 O ALA A 33 -20.262 -0.358 -8.673 1.00 0.00 O ATOM 572 CB ALA A 33 -17.115 -1.255 -8.671 1.00 0.00 C ATOM 0 H ALA A 33 -16.277 0.565 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.036 0.540 -9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.657 -1.916 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.141 -1.017 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.977 -1.752 -7.711 1.00 0.00 H new ATOM 578 N MET A 34 -19.381 -0.519 -6.601 1.00 0.00 N ATOM 579 CA MET A 34 -20.609 -0.842 -5.921 1.00 0.00 C ATOM 580 C MET A 34 -21.474 0.409 -5.817 1.00 0.00 C ATOM 581 O MET A 34 -22.635 0.376 -6.213 1.00 0.00 O ATOM 582 CB MET A 34 -20.246 -1.436 -4.556 1.00 0.00 C ATOM 583 CG MET A 34 -19.690 -2.865 -4.664 1.00 0.00 C ATOM 584 SD MET A 34 -20.912 -4.186 -4.436 1.00 0.00 S ATOM 585 CE MET A 34 -21.917 -4.046 -5.942 1.00 0.00 C ATOM 0 H MET A 34 -18.574 -0.475 -5.979 1.00 0.00 H new ATOM 0 HA MET A 34 -21.195 -1.580 -6.468 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.507 -0.798 -4.071 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.130 -1.441 -3.919 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.227 -2.985 -5.643 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.902 -2.989 -3.921 1.00 0.00 H new ATOM 0 HE1 MET A 34 -22.481 -4.967 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.608 -3.209 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.266 -3.878 -6.800 1.00 0.00 H new ATOM 595 N GLY A 35 -20.910 1.516 -5.337 1.00 0.00 N ATOM 596 CA GLY A 35 -21.585 2.793 -5.164 1.00 0.00 C ATOM 597 C GLY A 35 -21.558 3.246 -3.709 1.00 0.00 C ATOM 598 O GLY A 35 -22.559 3.736 -3.199 1.00 0.00 O ATOM 0 H GLY A 35 -19.932 1.545 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.107 3.546 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.618 2.708 -5.501 1.00 0.00 H new ATOM 602 N GLN A 36 -20.434 3.054 -3.012 1.00 0.00 N ATOM 603 CA GLN A 36 -20.317 3.204 -1.561 1.00 0.00 C ATOM 604 C GLN A 36 -19.135 4.100 -1.205 1.00 0.00 C ATOM 605 O GLN A 36 -19.121 4.707 -0.131 1.00 0.00 O ATOM 606 CB GLN A 36 -20.117 1.818 -0.919 1.00 0.00 C ATOM 607 CG GLN A 36 -21.088 0.758 -1.457 1.00 0.00 C ATOM 608 CD GLN A 36 -22.555 1.068 -1.132 1.00 0.00 C ATOM 609 OE1 GLN A 36 -22.867 1.694 -0.120 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.491 0.669 -1.976 1.00 0.00 N ATOM 0 H GLN A 36 -19.557 2.782 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.230 3.663 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.094 1.487 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.243 1.903 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.970 0.680 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.826 -0.213 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.233 0.150 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.471 0.880 -1.788 1.00 0.00 H new ATOM 619 N LEU A 37 -18.146 4.166 -2.102 1.00 0.00 N ATOM 620 CA LEU A 37 -16.908 4.929 -1.920 1.00 0.00 C ATOM 621 C LEU A 37 -17.166 6.399 -1.535 1.00 0.00 C ATOM 622 O LEU A 37 -18.143 7.005 -1.985 1.00 0.00 O ATOM 623 CB LEU A 37 -16.015 4.779 -3.159 1.00 0.00 C ATOM 624 CG LEU A 37 -14.646 5.451 -2.956 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.481 4.666 -3.528 1.00 0.00 C ATOM 626 CD2 LEU A 37 -14.590 6.880 -3.514 1.00 0.00 C ATOM 0 H LEU A 37 -18.186 3.678 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.371 4.510 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.872 3.721 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.513 5.220 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.540 5.480 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.553 5.207 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.432 3.687 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.620 4.539 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.599 7.300 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.793 6.861 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.338 7.495 -3.014 1.00 0.00 H new ATOM 638 N LYS A 38 -16.266 6.998 -0.743 1.00 0.00 N ATOM 639 CA LYS A 38 -16.288 8.411 -0.362 1.00 0.00 C ATOM 640 C LYS A 38 -15.012 9.059 -0.901 1.00 0.00 C ATOM 641 O LYS A 38 -13.924 8.569 -0.610 1.00 0.00 O ATOM 642 CB LYS A 38 -16.421 8.531 1.173 1.00 0.00 C ATOM 643 CG LYS A 38 -17.160 9.799 1.637 1.00 0.00 C ATOM 644 CD LYS A 38 -16.375 11.104 1.447 1.00 0.00 C ATOM 645 CE LYS A 38 -17.218 12.300 1.894 1.00 0.00 C ATOM 646 NZ LYS A 38 -16.559 13.581 1.571 1.00 0.00 N ATOM 0 H LYS A 38 -15.478 6.493 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.145 8.932 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.948 7.656 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.425 8.520 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.101 9.874 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.410 9.692 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.450 11.067 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.095 11.219 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.193 12.260 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.393 12.241 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.244 14.357 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.766 13.738 2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.202 13.551 0.595 1.00 0.00 H new ATOM 660 N ASN A 39 -15.174 10.145 -1.662 1.00 0.00 N ATOM 661 CA ASN A 39 -14.180 10.993 -2.314 1.00 0.00 C ATOM 662 C ASN A 39 -13.113 10.199 -3.067 1.00 0.00 C ATOM 663 O ASN A 39 -12.129 9.752 -2.482 1.00 0.00 O ATOM 664 CB ASN A 39 -13.590 12.048 -1.349 1.00 0.00 C ATOM 665 CG ASN A 39 -14.333 13.380 -1.450 1.00 0.00 C ATOM 666 OD1 ASN A 39 -15.557 13.431 -1.358 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.643 14.494 -1.632 1.00 0.00 N ATOM 0 H ASN A 39 -16.115 10.488 -1.856 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.712 11.551 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.645 11.677 -0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.535 12.201 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.127 15.389 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.627 14.458 -1.709 1.00 0.00 H new ATOM 674 N THR A 40 -13.250 10.051 -4.390 1.00 0.00 N ATOM 675 CA THR A 40 -12.225 9.452 -5.251 1.00 0.00 C ATOM 676 C THR A 40 -10.874 10.181 -5.141 1.00 0.00 C ATOM 677 O THR A 40 -9.825 9.593 -5.417 1.00 0.00 O ATOM 678 CB THR A 40 -12.704 9.424 -6.714 1.00 0.00 C ATOM 679 OG1 THR A 40 -13.074 10.716 -7.147 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.905 8.500 -6.925 1.00 0.00 C ATOM 0 H THR A 40 -14.084 10.347 -4.897 1.00 0.00 H new ATOM 0 HA THR A 40 -12.069 8.430 -4.906 1.00 0.00 H new ATOM 0 HB THR A 40 -11.861 9.047 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.373 10.675 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.199 8.520 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.635 7.482 -6.643 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.737 8.839 -6.308 1.00 0.00 H new ATOM 688 N SER A 41 -10.878 11.436 -4.681 1.00 0.00 N ATOM 689 CA SER A 41 -9.686 12.193 -4.332 1.00 0.00 C ATOM 690 C SER A 41 -8.803 11.439 -3.329 1.00 0.00 C ATOM 691 O SER A 41 -7.588 11.615 -3.359 1.00 0.00 O ATOM 692 CB SER A 41 -10.108 13.554 -3.763 1.00 0.00 C ATOM 693 OG SER A 41 -10.925 14.249 -4.691 1.00 0.00 O ATOM 0 H SER A 41 -11.740 11.963 -4.539 1.00 0.00 H new ATOM 0 HA SER A 41 -9.090 12.336 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.650 13.412 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.224 14.148 -3.532 1.00 0.00 H new ATOM 0 HG SER A 41 -11.187 15.114 -4.312 1.00 0.00 H new ATOM 699 N LEU A 42 -9.382 10.607 -2.453 1.00 0.00 N ATOM 700 CA LEU A 42 -8.665 9.732 -1.535 1.00 0.00 C ATOM 701 C LEU A 42 -8.114 8.510 -2.269 1.00 0.00 C ATOM 702 O LEU A 42 -6.941 8.189 -2.092 1.00 0.00 O ATOM 703 CB LEU A 42 -9.585 9.389 -0.352 1.00 0.00 C ATOM 704 CG LEU A 42 -8.893 8.538 0.725 1.00 0.00 C ATOM 705 CD1 LEU A 42 -9.330 9.015 2.114 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.189 7.041 0.567 1.00 0.00 C ATOM 0 H LEU A 42 -10.395 10.527 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.790 10.238 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.945 10.313 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.459 8.854 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.817 8.667 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.839 8.411 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.051 10.061 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.411 8.913 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.677 6.484 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.263 6.872 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.837 6.701 -0.407 1.00 0.00 H new ATOM 718 N ILE A 43 -8.875 7.872 -3.166 1.00 0.00 N ATOM 719 CA ILE A 43 -8.372 6.801 -4.037 1.00 0.00 C ATOM 720 C ILE A 43 -7.074 7.238 -4.732 1.00 0.00 C ATOM 721 O ILE A 43 -6.097 6.494 -4.749 1.00 0.00 O ATOM 722 CB ILE A 43 -9.477 6.308 -5.010 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.893 4.846 -4.716 1.00 0.00 C ATOM 724 CG2 ILE A 43 -9.198 6.471 -6.511 1.00 0.00 C ATOM 725 CD1 ILE A 43 -8.875 3.755 -5.107 1.00 0.00 C ATOM 0 H ILE A 43 -9.862 8.085 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.112 5.933 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.298 6.993 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.098 4.756 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.828 4.645 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.044 6.089 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.051 7.526 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.300 5.913 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.277 2.774 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.684 3.803 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.943 3.916 -4.565 1.00 0.00 H new ATOM 737 N LYS A 44 -7.004 8.469 -5.236 1.00 0.00 N ATOM 738 CA LYS A 44 -5.858 9.097 -5.846 1.00 0.00 C ATOM 739 C LYS A 44 -4.606 8.970 -4.989 1.00 0.00 C ATOM 740 O LYS A 44 -3.558 8.497 -5.431 1.00 0.00 O ATOM 741 CB LYS A 44 -6.269 10.583 -6.027 1.00 0.00 C ATOM 742 CG LYS A 44 -5.669 11.223 -7.259 1.00 0.00 C ATOM 743 CD LYS A 44 -4.149 11.267 -7.239 1.00 0.00 C ATOM 744 CE LYS A 44 -3.538 12.168 -6.153 1.00 0.00 C ATOM 745 NZ LYS A 44 -3.314 13.551 -6.641 1.00 0.00 N ATOM 0 H LYS A 44 -7.813 9.090 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.600 8.620 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.356 10.648 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.962 11.148 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.997 10.673 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.053 12.239 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.773 10.253 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.798 11.608 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.199 12.192 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.591 11.743 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.901 14.126 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.663 13.532 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.221 13.966 -6.935 1.00 0.00 H new ATOM 759 N LEU A 45 -4.726 9.432 -3.760 1.00 0.00 N ATOM 760 CA LEU A 45 -3.726 9.369 -2.731 1.00 0.00 C ATOM 761 C LEU A 45 -3.378 7.918 -2.468 1.00 0.00 C ATOM 762 O LEU A 45 -2.210 7.586 -2.281 1.00 0.00 O ATOM 763 CB LEU A 45 -4.275 10.022 -1.457 1.00 0.00 C ATOM 764 CG LEU A 45 -3.873 11.475 -1.203 1.00 0.00 C ATOM 765 CD1 LEU A 45 -2.372 11.680 -1.380 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.643 12.424 -2.113 1.00 0.00 C ATOM 0 H LEU A 45 -5.581 9.888 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.828 9.901 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.363 9.971 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.954 9.426 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.127 11.702 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.123 12.724 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.833 11.046 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.086 11.417 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.337 13.450 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.432 12.181 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.712 12.320 -1.926 1.00 0.00 H new ATOM 778 N THR A 46 -4.379 7.045 -2.511 1.00 0.00 N ATOM 779 CA THR A 46 -4.230 5.673 -2.148 1.00 0.00 C ATOM 780 C THR A 46 -3.323 5.038 -3.199 1.00 0.00 C ATOM 781 O THR A 46 -2.328 4.454 -2.828 1.00 0.00 O ATOM 782 CB THR A 46 -5.640 5.094 -1.941 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.297 5.849 -0.938 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.618 3.666 -1.459 1.00 0.00 C ATOM 0 H THR A 46 -5.324 7.292 -2.806 1.00 0.00 H new ATOM 0 HA THR A 46 -3.729 5.475 -1.200 1.00 0.00 H new ATOM 0 HB THR A 46 -6.145 5.135 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.696 6.649 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.640 3.310 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.106 3.042 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.092 3.612 -0.506 1.00 0.00 H new ATOM 792 N LYS A 47 -3.505 5.235 -4.506 1.00 0.00 N ATOM 793 CA LYS A 47 -2.567 4.696 -5.519 1.00 0.00 C ATOM 794 C LYS A 47 -1.136 5.194 -5.405 1.00 0.00 C ATOM 795 O LYS A 47 -0.232 4.417 -5.728 1.00 0.00 O ATOM 796 CB LYS A 47 -3.018 4.726 -6.988 1.00 0.00 C ATOM 797 CG LYS A 47 -4.124 5.699 -7.248 1.00 0.00 C ATOM 798 CD LYS A 47 -5.534 5.143 -7.288 1.00 0.00 C ATOM 799 CE LYS A 47 -5.730 4.496 -8.669 1.00 0.00 C ATOM 800 NZ LYS A 47 -7.131 4.183 -9.017 1.00 0.00 N ATOM 0 H LYS A 47 -4.287 5.760 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.590 3.646 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.165 4.980 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.345 3.728 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.085 6.470 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.926 6.190 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.681 4.409 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.265 5.936 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.323 5.164 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.147 3.576 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.166 3.751 -9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.522 3.519 -8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.693 5.058 -9.015 1.00 0.00 H new ATOM 814 N ARG A 48 -0.903 6.438 -4.980 1.00 0.00 N ATOM 815 CA ARG A 48 0.476 6.897 -4.768 1.00 0.00 C ATOM 816 C ARG A 48 1.089 6.043 -3.681 1.00 0.00 C ATOM 817 O ARG A 48 2.207 5.550 -3.831 1.00 0.00 O ATOM 818 CB ARG A 48 0.588 8.376 -4.346 1.00 0.00 C ATOM 819 CG ARG A 48 -0.554 9.267 -4.800 1.00 0.00 C ATOM 820 CD ARG A 48 -0.200 10.753 -4.682 1.00 0.00 C ATOM 821 NE ARG A 48 0.555 11.206 -5.867 1.00 0.00 N ATOM 822 CZ ARG A 48 1.701 11.895 -5.892 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.268 12.292 -4.765 1.00 0.00 N ATOM 824 NH2 ARG A 48 2.272 12.176 -7.057 1.00 0.00 N ATOM 0 H ARG A 48 -1.626 7.129 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 48 0.995 6.805 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.654 8.423 -3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.521 8.780 -4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.806 9.035 -5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.440 9.056 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.111 11.342 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.392 10.921 -3.782 1.00 0.00 H new ATOM 0 HE ARG A 48 0.155 10.965 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.831 12.073 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.142 12.817 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.837 11.867 -7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.146 12.701 -7.083 1.00 0.00 H new ATOM 838 N ASP A 49 0.340 5.873 -2.600 1.00 0.00 N ATOM 839 CA ASP A 49 0.816 5.255 -1.387 1.00 0.00 C ATOM 840 C ASP A 49 0.856 3.760 -1.551 1.00 0.00 C ATOM 841 O ASP A 49 1.814 3.154 -1.121 1.00 0.00 O ATOM 842 CB ASP A 49 -0.086 5.657 -0.233 1.00 0.00 C ATOM 843 CG ASP A 49 0.675 5.980 1.042 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.714 6.686 0.955 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.123 5.681 2.121 1.00 0.00 O ATOM 0 H ASP A 49 -0.635 6.170 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 49 1.829 5.594 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.674 6.526 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.790 4.849 -0.033 1.00 0.00 H new ATOM 850 N ILE A 50 -0.074 3.145 -2.280 1.00 0.00 N ATOM 851 CA ILE A 50 0.039 1.755 -2.662 1.00 0.00 C ATOM 852 C ILE A 50 1.346 1.605 -3.376 1.00 0.00 C ATOM 853 O ILE A 50 2.130 0.750 -3.020 1.00 0.00 O ATOM 854 CB ILE A 50 -1.142 1.216 -3.502 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.175 0.673 -2.520 1.00 0.00 C ATOM 856 CG2 ILE A 50 -0.760 0.036 -4.423 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.022 1.755 -1.862 1.00 0.00 C ATOM 0 H ILE A 50 -0.921 3.602 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 50 0.002 1.144 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.496 2.034 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.832 -0.022 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.662 0.104 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.638 -0.289 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.015 0.355 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.387 -0.791 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.734 1.294 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.376 2.437 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.563 2.310 -2.628 1.00 0.00 H new ATOM 869 N ALA A 51 1.624 2.438 -4.362 1.00 0.00 N ATOM 870 CA ALA A 51 2.831 2.248 -5.118 1.00 0.00 C ATOM 871 C ALA A 51 4.091 2.664 -4.340 1.00 0.00 C ATOM 872 O ALA A 51 5.193 2.461 -4.847 1.00 0.00 O ATOM 873 CB ALA A 51 2.624 2.991 -6.425 1.00 0.00 C ATOM 0 H ALA A 51 1.045 3.228 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 51 3.017 1.193 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.512 2.885 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.762 2.576 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.449 4.047 -6.219 1.00 0.00 H new ATOM 879 N ARG A 52 3.957 3.228 -3.136 1.00 0.00 N ATOM 880 CA ARG A 52 5.012 3.445 -2.146 1.00 0.00 C ATOM 881 C ARG A 52 5.116 2.202 -1.257 1.00 0.00 C ATOM 882 O ARG A 52 6.100 1.475 -1.341 1.00 0.00 O ATOM 883 CB ARG A 52 4.681 4.761 -1.401 1.00 0.00 C ATOM 884 CG ARG A 52 5.769 5.433 -0.554 1.00 0.00 C ATOM 885 CD ARG A 52 5.933 4.816 0.838 1.00 0.00 C ATOM 886 NE ARG A 52 6.682 5.709 1.743 1.00 0.00 N ATOM 887 CZ ARG A 52 6.212 6.518 2.709 1.00 0.00 C ATOM 888 NH1 ARG A 52 4.913 6.811 2.810 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.072 7.024 3.588 1.00 0.00 N ATOM 0 H ARG A 52 3.052 3.566 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 52 6.002 3.570 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.350 5.485 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.831 4.564 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.720 5.371 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.532 6.492 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.951 4.608 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.453 3.862 0.755 1.00 0.00 H new ATOM 0 HE ARG A 52 7.694 5.713 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.248 6.418 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.586 7.428 3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.064 6.796 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.740 7.640 4.330 1.00 0.00 H new ATOM 903 N ILE A 53 4.089 1.884 -0.472 1.00 0.00 N ATOM 904 CA ILE A 53 4.060 0.711 0.393 1.00 0.00 C ATOM 905 C ILE A 53 4.253 -0.580 -0.393 1.00 0.00 C ATOM 906 O ILE A 53 5.142 -1.349 -0.063 1.00 0.00 O ATOM 907 CB ILE A 53 2.781 0.748 1.256 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.792 1.892 2.301 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.643 -0.527 2.072 1.00 0.00 C ATOM 910 CD1 ILE A 53 2.123 3.174 1.831 1.00 0.00 C ATOM 0 H ILE A 53 3.239 2.446 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 53 4.908 0.734 1.077 1.00 0.00 H new ATOM 0 HB ILE A 53 1.967 0.884 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.293 1.546 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.825 2.112 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.735 -0.478 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.589 -1.384 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.506 -0.634 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.175 3.922 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.635 3.547 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.079 2.972 1.590 1.00 0.00 H new ATOM 922 N LYS A 54 3.469 -0.868 -1.426 1.00 0.00 N ATOM 923 CA LYS A 54 3.595 -2.129 -2.150 1.00 0.00 C ATOM 924 C LYS A 54 5.004 -2.266 -2.737 1.00 0.00 C ATOM 925 O LYS A 54 5.509 -3.380 -2.844 1.00 0.00 O ATOM 926 CB LYS A 54 2.467 -2.321 -3.207 1.00 0.00 C ATOM 927 CG LYS A 54 2.783 -1.707 -4.594 1.00 0.00 C ATOM 928 CD LYS A 54 3.626 -2.610 -5.513 1.00 0.00 C ATOM 929 CE LYS A 54 3.313 -2.379 -6.997 1.00 0.00 C ATOM 930 NZ LYS A 54 4.199 -1.373 -7.619 1.00 0.00 N ATOM 0 H LYS A 54 2.741 -0.248 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 54 3.458 -2.946 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.277 -3.387 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.548 -1.875 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.844 -1.473 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.310 -0.764 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.684 -2.422 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.441 -3.655 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.408 -3.322 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.277 -2.057 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.943 -1.257 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.091 -0.463 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.187 -1.690 -7.549 1.00 0.00 H new ATOM 944 N THR A 55 5.649 -1.152 -3.101 1.00 0.00 N ATOM 945 CA THR A 55 7.017 -1.176 -3.579 1.00 0.00 C ATOM 946 C THR A 55 7.931 -1.705 -2.479 1.00 0.00 C ATOM 947 O THR A 55 8.785 -2.508 -2.811 1.00 0.00 O ATOM 948 CB THR A 55 7.405 0.215 -4.092 1.00 0.00 C ATOM 949 OG1 THR A 55 6.806 0.432 -5.354 1.00 0.00 O ATOM 950 CG2 THR A 55 8.912 0.492 -4.160 1.00 0.00 C ATOM 0 H THR A 55 5.233 -0.221 -3.070 1.00 0.00 H new ATOM 0 HA THR A 55 7.125 -1.857 -4.424 1.00 0.00 H new ATOM 0 HB THR A 55 7.029 0.921 -3.351 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.948 0.890 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.080 1.502 -4.535 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.344 0.398 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.384 -0.227 -4.830 1.00 0.00 H new ATOM 958 N ILE A 56 7.747 -1.362 -1.199 1.00 0.00 N ATOM 959 CA ILE A 56 8.601 -1.867 -0.107 1.00 0.00 C ATOM 960 C ILE A 56 8.606 -3.401 -0.113 1.00 0.00 C ATOM 961 O ILE A 56 9.653 -4.013 0.078 1.00 0.00 O ATOM 962 CB ILE A 56 8.143 -1.321 1.262 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.382 0.197 1.325 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.739 -2.060 2.481 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.682 0.638 1.995 1.00 0.00 C ATOM 0 H ILE A 56 7.008 -0.731 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 56 9.618 -1.513 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 56 7.074 -1.519 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.367 0.591 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.548 0.655 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.363 -1.609 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.449 -3.110 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.826 -1.982 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.746 1.726 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.698 0.284 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.530 0.219 1.454 1.00 0.00 H new ATOM 977 N LEU A 57 7.451 -4.026 -0.365 1.00 0.00 N ATOM 978 CA LEU A 57 7.368 -5.477 -0.526 1.00 0.00 C ATOM 979 C LEU A 57 8.286 -5.922 -1.664 1.00 0.00 C ATOM 980 O LEU A 57 9.121 -6.800 -1.478 1.00 0.00 O ATOM 981 CB LEU A 57 5.900 -5.914 -0.706 1.00 0.00 C ATOM 982 CG LEU A 57 5.666 -7.370 -0.246 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.196 -7.586 0.129 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.082 -8.362 -1.327 1.00 0.00 C ATOM 0 H LEU A 57 6.557 -3.544 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 57 7.721 -5.978 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.251 -5.246 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.619 -5.816 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 57 6.284 -7.545 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.050 -8.617 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.925 -6.911 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.566 -7.384 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.906 -9.379 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.497 -8.184 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.141 -8.234 -1.550 1.00 0.00 H new ATOM 996 N ARG A 58 8.196 -5.275 -2.827 1.00 0.00 N ATOM 997 CA ARG A 58 8.990 -5.602 -4.007 1.00 0.00 C ATOM 998 C ARG A 58 10.477 -5.431 -3.707 1.00 0.00 C ATOM 999 O ARG A 58 11.277 -6.296 -4.040 1.00 0.00 O ATOM 1000 CB ARG A 58 8.521 -4.722 -5.178 1.00 0.00 C ATOM 1001 CG ARG A 58 8.126 -5.569 -6.389 1.00 0.00 C ATOM 1002 CD ARG A 58 9.334 -6.274 -6.995 1.00 0.00 C ATOM 1003 NE ARG A 58 8.991 -7.157 -8.122 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.699 -7.308 -9.247 1.00 0.00 C ATOM 1005 NH1 ARG A 58 10.591 -6.405 -9.639 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.531 -8.391 -9.983 1.00 0.00 N ATOM 0 H ARG A 58 7.556 -4.495 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 58 8.846 -6.646 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.671 -4.117 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.317 -4.032 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.383 -6.309 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.658 -4.934 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.050 -5.525 -7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.829 -6.861 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 58 8.134 -7.704 -8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.751 -5.569 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.116 -6.548 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.864 -9.107 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.068 -8.512 -10.842 1.00 0.00 H new ATOM 1020 N GLU A 59 10.834 -4.361 -3.008 1.00 0.00 N ATOM 1021 CA GLU A 59 12.188 -4.062 -2.543 1.00 0.00 C ATOM 1022 C GLU A 59 12.771 -5.175 -1.683 1.00 0.00 C ATOM 1023 O GLU A 59 13.996 -5.308 -1.597 1.00 0.00 O ATOM 1024 CB GLU A 59 12.220 -2.742 -1.745 1.00 0.00 C ATOM 1025 CG GLU A 59 11.960 -1.583 -2.686 1.00 0.00 C ATOM 1026 CD GLU A 59 12.245 -0.191 -2.118 1.00 0.00 C ATOM 1027 OE1 GLU A 59 11.911 0.079 -0.941 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.742 0.665 -2.889 1.00 0.00 O ATOM 0 H GLU A 59 10.160 -3.645 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 59 12.801 -3.968 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.467 -2.762 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.188 -2.621 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.567 -1.722 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.917 -1.621 -3.000 1.00 0.00 H new ATOM 1035 N ARG A 60 11.922 -5.953 -1.018 1.00 0.00 N ATOM 1036 CA ARG A 60 12.338 -7.077 -0.189 1.00 0.00 C ATOM 1037 C ARG A 60 12.293 -8.392 -0.961 1.00 0.00 C ATOM 1038 O ARG A 60 12.981 -9.322 -0.555 1.00 0.00 O ATOM 1039 CB ARG A 60 11.488 -7.113 1.090 1.00 0.00 C ATOM 1040 CG ARG A 60 11.713 -5.854 1.951 1.00 0.00 C ATOM 1041 CD ARG A 60 10.749 -5.742 3.142 1.00 0.00 C ATOM 1042 NE ARG A 60 10.989 -6.737 4.211 1.00 0.00 N ATOM 1043 CZ ARG A 60 10.492 -7.981 4.317 1.00 0.00 C ATOM 1044 NH1 ARG A 60 9.622 -8.449 3.432 1.00 0.00 N ATOM 1045 NH2 ARG A 60 10.871 -8.749 5.329 1.00 0.00 N ATOM 0 H ARG A 60 10.911 -5.817 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 60 13.380 -6.940 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.433 -7.191 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.738 -8.002 1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.738 -5.857 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.605 -4.970 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.829 -4.742 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.727 -5.853 2.780 1.00 0.00 H new ATOM 0 HE ARG A 60 11.611 -6.441 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.319 -7.862 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.256 -9.396 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.534 -8.394 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.500 -9.695 5.418 1.00 0.00 H new ATOM 1059 N GLU A 61 11.595 -8.440 -2.099 1.00 0.00 N ATOM 1060 CA GLU A 61 11.665 -9.551 -3.035 1.00 0.00 C ATOM 1061 C GLU A 61 13.051 -9.553 -3.689 1.00 0.00 C ATOM 1062 O GLU A 61 13.792 -10.511 -3.490 1.00 0.00 O ATOM 1063 CB GLU A 61 10.531 -9.532 -4.083 1.00 0.00 C ATOM 1064 CG GLU A 61 9.118 -9.602 -3.490 1.00 0.00 C ATOM 1065 CD GLU A 61 8.067 -10.055 -4.510 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.617 -9.228 -5.343 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.652 -11.234 -4.457 1.00 0.00 O ATOM 0 H GLU A 61 10.961 -7.698 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 61 11.519 -10.479 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.618 -8.623 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.668 -10.372 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.117 -10.290 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.843 -8.621 -3.103 1.00 0.00 H new ATOM 1074 N LEU A 62 13.442 -8.526 -4.465 1.00 0.00 N ATOM 1075 CA LEU A 62 14.691 -8.620 -5.220 1.00 0.00 C ATOM 1076 C LEU A 62 15.924 -8.390 -4.362 1.00 0.00 C ATOM 1077 O LEU A 62 17.037 -8.638 -4.830 1.00 0.00 O ATOM 1078 CB LEU A 62 14.783 -7.638 -6.396 1.00 0.00 C ATOM 1079 CG LEU A 62 13.510 -7.240 -7.157 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.353 -8.245 -7.164 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.066 -5.838 -6.726 1.00 0.00 C ATOM 0 H LEU A 62 12.928 -7.653 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 62 14.670 -9.643 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.237 -6.721 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.477 -8.063 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 62 13.803 -7.240 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.520 -7.837 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.684 -9.178 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.031 -8.436 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.162 -5.560 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.862 -5.834 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.857 -5.122 -6.947 1.00 0.00 H new ATOM 1093 N GLY A 63 15.740 -7.818 -3.177 1.00 0.00 N ATOM 1094 CA GLY A 63 16.831 -7.321 -2.374 1.00 0.00 C ATOM 1095 C GLY A 63 17.369 -6.011 -2.922 1.00 0.00 C ATOM 1096 O GLY A 63 18.464 -5.949 -3.484 1.00 0.00 O ATOM 0 H GLY A 63 14.822 -7.689 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.493 -7.177 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.631 -8.061 -2.345 1.00 0.00 H new ATOM 1100 N ILE A 64 16.570 -4.952 -2.822 1.00 0.00 N ATOM 1101 CA ILE A 64 16.957 -3.592 -3.167 1.00 0.00 C ATOM 1102 C ILE A 64 17.407 -2.835 -1.910 1.00 0.00 C ATOM 1103 O ILE A 64 18.143 -1.851 -1.981 1.00 0.00 O ATOM 1104 CB ILE A 64 15.730 -2.947 -3.859 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.424 -3.615 -5.214 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.818 -1.432 -4.040 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.462 -3.349 -6.308 1.00 0.00 C ATOM 0 H ILE A 64 15.608 -5.021 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 64 17.809 -3.564 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 64 14.909 -3.126 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.343 -4.691 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.451 -3.268 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.915 -1.071 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.915 -0.954 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.687 -1.188 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.163 -3.858 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.528 -2.277 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.434 -3.722 -5.986 1.00 0.00 H new