USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 13 SER OG : rot -146:sc= 1.2 USER MOD Set 1.2: A 35 HIS : no HE2:sc= 0.404 K(o=1.6,f=-4.7!) USER MOD Set 2.1: A 1 MET N :NH3+ -115:sc= -0.124 (180deg=-0.383) USER MOD Set 2.2: A 22 THR OG1 : rot -137:sc=-0.00885 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0901 X(o=-0.09,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc=-0.00968 (180deg=-0.114) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.842 7.218 -3.544 1.00 0.00 N ATOM 2 CA MET A 1 3.764 6.493 -4.277 1.00 0.00 C ATOM 3 C MET A 1 3.721 5.007 -3.897 1.00 0.00 C ATOM 4 O MET A 1 2.643 4.446 -3.696 1.00 0.00 O ATOM 5 CB MET A 1 3.977 6.672 -5.791 1.00 0.00 C ATOM 6 CG MET A 1 5.161 5.906 -6.365 1.00 0.00 C ATOM 7 SD MET A 1 5.998 6.813 -7.679 1.00 0.00 S ATOM 8 CE MET A 1 5.194 6.130 -9.127 1.00 0.00 C ATOM 0 H1 MET A 1 4.416 7.923 -2.909 1.00 0.00 H new ATOM 0 H2 MET A 1 5.399 6.540 -2.986 1.00 0.00 H new ATOM 0 H3 MET A 1 5.464 7.698 -4.226 1.00 0.00 H new ATOM 0 HA MET A 1 2.800 6.917 -3.994 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.072 6.357 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.112 7.733 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.872 5.690 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.816 4.947 -6.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.605 6.593 -10.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.364 5.054 -9.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.123 6.327 -9.075 1.00 0.00 H new ATOM 20 N ASN A 2 4.893 4.379 -3.791 1.00 0.00 N ATOM 21 CA ASN A 2 4.980 2.968 -3.428 1.00 0.00 C ATOM 22 C ASN A 2 5.638 2.799 -2.063 1.00 0.00 C ATOM 23 O ASN A 2 6.731 3.314 -1.819 1.00 0.00 O ATOM 24 CB ASN A 2 5.761 2.183 -4.487 1.00 0.00 C ATOM 25 CG ASN A 2 4.858 1.587 -5.552 1.00 0.00 C ATOM 26 OD1 ASN A 2 4.971 1.918 -6.732 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.955 0.699 -5.143 1.00 0.00 N ATOM 0 H ASN A 2 5.795 4.828 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 2 3.966 2.573 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.489 2.842 -4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.322 1.384 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.324 0.266 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.894 0.452 -4.155 1.00 0.00 H new ATOM 34 N VAL A 3 4.957 2.075 -1.177 1.00 0.00 N ATOM 35 CA VAL A 3 5.456 1.829 0.173 1.00 0.00 C ATOM 36 C VAL A 3 5.516 0.334 0.467 1.00 0.00 C ATOM 37 O VAL A 3 4.639 -0.426 0.049 1.00 0.00 O ATOM 38 CB VAL A 3 4.608 2.526 1.258 1.00 0.00 C ATOM 39 CG1 VAL A 3 5.439 2.732 2.516 1.00 0.00 C ATOM 40 CG2 VAL A 3 4.052 3.856 0.761 1.00 0.00 C ATOM 0 H VAL A 3 4.052 1.646 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 3 6.459 2.253 0.207 1.00 0.00 H new ATOM 0 HB VAL A 3 3.761 1.881 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.833 3.224 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.777 1.766 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.304 3.353 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.460 4.320 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.876 4.516 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.422 3.684 -0.112 1.00 0.00 H new ATOM 50 N THR A 4 6.563 -0.083 1.175 1.00 0.00 N ATOM 51 CA THR A 4 6.746 -1.493 1.512 1.00 0.00 C ATOM 52 C THR A 4 5.785 -1.909 2.618 1.00 0.00 C ATOM 53 O THR A 4 5.807 -1.352 3.719 1.00 0.00 O ATOM 54 CB THR A 4 8.192 -1.765 1.943 1.00 0.00 C ATOM 55 OG1 THR A 4 9.086 -0.856 1.325 1.00 0.00 O ATOM 56 CG2 THR A 4 8.659 -3.164 1.607 1.00 0.00 C ATOM 0 H THR A 4 7.296 0.533 1.526 1.00 0.00 H new ATOM 0 HA THR A 4 6.532 -2.083 0.621 1.00 0.00 H new ATOM 0 HB THR A 4 8.196 -1.643 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.002 -1.048 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.690 -3.293 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.022 -3.891 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.602 -3.318 0.529 1.00 0.00 H new ATOM 64 N VAL A 5 4.937 -2.885 2.308 1.00 0.00 N ATOM 65 CA VAL A 5 3.952 -3.380 3.260 1.00 0.00 C ATOM 66 C VAL A 5 4.219 -4.837 3.633 1.00 0.00 C ATOM 67 O VAL A 5 4.373 -5.697 2.761 1.00 0.00 O ATOM 68 CB VAL A 5 2.518 -3.251 2.699 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.160 -1.789 2.467 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.362 -4.052 1.414 1.00 0.00 C ATOM 0 H VAL A 5 4.914 -3.350 1.400 1.00 0.00 H new ATOM 0 HA VAL A 5 4.041 -2.765 4.155 1.00 0.00 H new ATOM 0 HB VAL A 5 1.829 -3.660 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.146 -1.721 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.219 -1.246 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.858 -1.352 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.344 -3.945 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.064 -3.682 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.566 -5.104 1.614 1.00 0.00 H new ATOM 80 N GLU A 6 4.265 -5.108 4.934 1.00 0.00 N ATOM 81 CA GLU A 6 4.502 -6.460 5.427 1.00 0.00 C ATOM 82 C GLU A 6 3.200 -7.253 5.436 1.00 0.00 C ATOM 83 O GLU A 6 2.267 -6.924 6.172 1.00 0.00 O ATOM 84 CB GLU A 6 5.107 -6.419 6.833 1.00 0.00 C ATOM 85 CG GLU A 6 6.327 -7.314 7.002 1.00 0.00 C ATOM 86 CD GLU A 6 6.280 -8.127 8.282 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.213 -7.518 9.372 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.310 -9.373 8.196 1.00 0.00 O ATOM 0 H GLU A 6 4.141 -4.408 5.666 1.00 0.00 H new ATOM 0 HA GLU A 6 5.209 -6.953 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.386 -5.392 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.346 -6.717 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.399 -7.989 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.227 -6.700 6.999 1.00 0.00 H new ATOM 95 N VAL A 7 3.142 -8.293 4.608 1.00 0.00 N ATOM 96 CA VAL A 7 1.952 -9.130 4.514 1.00 0.00 C ATOM 97 C VAL A 7 1.973 -10.235 5.564 1.00 0.00 C ATOM 98 O VAL A 7 2.969 -10.936 5.722 1.00 0.00 O ATOM 99 CB VAL A 7 1.788 -9.753 3.107 1.00 0.00 C ATOM 100 CG1 VAL A 7 1.377 -8.690 2.100 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.064 -10.450 2.656 1.00 0.00 C ATOM 0 H VAL A 7 3.906 -8.575 3.993 1.00 0.00 H new ATOM 0 HA VAL A 7 1.098 -8.478 4.698 1.00 0.00 H new ATOM 0 HB VAL A 7 1.001 -10.505 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.266 -9.145 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.428 -8.248 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.142 -7.914 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.915 -10.877 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.880 -9.728 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.312 -11.245 3.359 1.00 0.00 H new ATOM 111 N VAL A 8 0.867 -10.376 6.286 1.00 0.00 N ATOM 112 CA VAL A 8 0.758 -11.393 7.333 1.00 0.00 C ATOM 113 C VAL A 8 0.929 -12.799 6.756 1.00 0.00 C ATOM 114 O VAL A 8 0.231 -13.183 5.815 1.00 0.00 O ATOM 115 CB VAL A 8 -0.596 -11.307 8.069 1.00 0.00 C ATOM 116 CG1 VAL A 8 -0.617 -12.248 9.267 1.00 0.00 C ATOM 117 CG2 VAL A 8 -0.882 -9.873 8.496 1.00 0.00 C ATOM 0 H VAL A 8 0.033 -9.801 6.168 1.00 0.00 H new ATOM 0 HA VAL A 8 1.559 -11.197 8.046 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.383 -11.619 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.580 -12.172 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.465 -13.273 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.179 -11.973 9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.841 -9.832 9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.093 -9.528 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.917 -9.231 7.616 1.00 0.00 H new ATOM 127 N GLY A 9 1.871 -13.557 7.324 1.00 0.00 N ATOM 128 CA GLY A 9 2.130 -14.912 6.857 1.00 0.00 C ATOM 129 C GLY A 9 3.222 -14.968 5.803 1.00 0.00 C ATOM 130 O GLY A 9 4.186 -15.722 5.935 1.00 0.00 O ATOM 0 H GLY A 9 2.459 -13.255 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.415 -15.536 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.212 -15.332 6.446 1.00 0.00 H new ATOM 134 N GLU A 10 3.064 -14.161 4.759 1.00 0.00 N ATOM 135 CA GLU A 10 4.028 -14.096 3.663 1.00 0.00 C ATOM 136 C GLU A 10 5.142 -13.089 3.968 1.00 0.00 C ATOM 137 O GLU A 10 5.012 -12.269 4.878 1.00 0.00 O ATOM 138 CB GLU A 10 3.318 -13.727 2.358 1.00 0.00 C ATOM 139 CG GLU A 10 3.483 -14.763 1.257 1.00 0.00 C ATOM 140 CD GLU A 10 4.296 -14.241 0.089 1.00 0.00 C ATOM 141 OE1 GLU A 10 5.485 -13.912 0.292 1.00 0.00 O ATOM 142 OE2 GLU A 10 3.742 -14.155 -1.027 1.00 0.00 O ATOM 0 H GLU A 10 2.267 -13.535 4.648 1.00 0.00 H new ATOM 0 HA GLU A 10 4.485 -15.079 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.256 -13.590 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.702 -12.770 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.968 -15.650 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.500 -15.072 0.902 1.00 0.00 H new ATOM 149 N GLU A 11 6.239 -13.166 3.208 1.00 0.00 N ATOM 150 CA GLU A 11 7.385 -12.264 3.392 1.00 0.00 C ATOM 151 C GLU A 11 6.978 -10.797 3.157 1.00 0.00 C ATOM 152 O GLU A 11 5.816 -10.435 3.329 1.00 0.00 O ATOM 153 CB GLU A 11 8.521 -12.669 2.442 1.00 0.00 C ATOM 154 CG GLU A 11 9.905 -12.623 3.078 1.00 0.00 C ATOM 155 CD GLU A 11 11.005 -13.019 2.109 1.00 0.00 C ATOM 156 OE1 GLU A 11 11.232 -12.274 1.132 1.00 0.00 O ATOM 157 OE2 GLU A 11 11.641 -14.071 2.329 1.00 0.00 O ATOM 0 H GLU A 11 6.359 -13.845 2.457 1.00 0.00 H new ATOM 0 HA GLU A 11 7.734 -12.350 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.333 -13.679 2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.509 -12.009 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.097 -11.616 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.927 -13.290 3.940 1.00 0.00 H new ATOM 164 N THR A 12 7.933 -9.949 2.766 1.00 0.00 N ATOM 165 CA THR A 12 7.636 -8.538 2.529 1.00 0.00 C ATOM 166 C THR A 12 7.450 -8.265 1.038 1.00 0.00 C ATOM 167 O THR A 12 8.231 -8.732 0.207 1.00 0.00 O ATOM 168 CB THR A 12 8.749 -7.645 3.089 1.00 0.00 C ATOM 169 OG1 THR A 12 9.439 -8.289 4.148 1.00 0.00 O ATOM 170 CG2 THR A 12 8.240 -6.321 3.615 1.00 0.00 C ATOM 0 H THR A 12 8.906 -10.212 2.609 1.00 0.00 H new ATOM 0 HA THR A 12 6.706 -8.303 3.046 1.00 0.00 H new ATOM 0 HB THR A 12 9.415 -7.458 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.144 -7.698 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.076 -5.736 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.752 -5.773 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.525 -6.499 4.418 1.00 0.00 H new ATOM 178 N SER A 13 6.398 -7.512 0.711 1.00 0.00 N ATOM 179 CA SER A 13 6.088 -7.175 -0.677 1.00 0.00 C ATOM 180 C SER A 13 5.774 -5.689 -0.830 1.00 0.00 C ATOM 181 O SER A 13 5.492 -4.996 0.151 1.00 0.00 O ATOM 182 CB SER A 13 4.908 -8.014 -1.177 1.00 0.00 C ATOM 183 OG SER A 13 5.360 -9.223 -1.759 1.00 0.00 O ATOM 0 H SER A 13 5.745 -7.124 1.392 1.00 0.00 H new ATOM 0 HA SER A 13 6.968 -7.400 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.235 -8.234 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.336 -7.444 -1.909 1.00 0.00 H new ATOM 0 HG SER A 13 4.766 -9.473 -2.497 1.00 0.00 H new ATOM 189 N GLU A 14 5.828 -5.209 -2.070 1.00 0.00 N ATOM 190 CA GLU A 14 5.556 -3.807 -2.368 1.00 0.00 C ATOM 191 C GLU A 14 4.143 -3.636 -2.912 1.00 0.00 C ATOM 192 O GLU A 14 3.772 -4.248 -3.917 1.00 0.00 O ATOM 193 CB GLU A 14 6.579 -3.271 -3.373 1.00 0.00 C ATOM 194 CG GLU A 14 8.020 -3.399 -2.900 1.00 0.00 C ATOM 195 CD GLU A 14 9.009 -3.472 -4.049 1.00 0.00 C ATOM 196 OE1 GLU A 14 9.184 -2.452 -4.748 1.00 0.00 O ATOM 197 OE2 GLU A 14 9.610 -4.549 -4.248 1.00 0.00 O ATOM 0 H GLU A 14 6.059 -5.774 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 14 5.639 -3.237 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.465 -3.807 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.363 -2.222 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.267 -2.547 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.118 -4.293 -2.284 1.00 0.00 H new ATOM 204 N VAL A 15 3.357 -2.806 -2.232 1.00 0.00 N ATOM 205 CA VAL A 15 1.977 -2.549 -2.627 1.00 0.00 C ATOM 206 C VAL A 15 1.696 -1.045 -2.666 1.00 0.00 C ATOM 207 O VAL A 15 2.318 -0.270 -1.935 1.00 0.00 O ATOM 208 CB VAL A 15 0.990 -3.248 -1.661 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.452 -2.862 -1.964 1.00 0.00 C ATOM 210 CG2 VAL A 15 1.164 -4.760 -1.726 1.00 0.00 C ATOM 0 H VAL A 15 3.656 -2.297 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 15 1.833 -2.957 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 15 1.218 -2.912 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.119 -3.370 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.570 -1.784 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.701 -3.155 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.463 -5.237 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.971 -5.105 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.183 -5.021 -1.442 1.00 0.00 H new ATOM 220 N ALA A 16 0.762 -0.637 -3.526 1.00 0.00 N ATOM 221 CA ALA A 16 0.405 0.769 -3.659 1.00 0.00 C ATOM 222 C ALA A 16 -0.621 1.168 -2.607 1.00 0.00 C ATOM 223 O ALA A 16 -1.456 0.357 -2.198 1.00 0.00 O ATOM 224 CB ALA A 16 -0.128 1.052 -5.057 1.00 0.00 C ATOM 0 H ALA A 16 0.241 -1.263 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 16 1.303 1.366 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.390 2.107 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.637 0.809 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.013 0.443 -5.239 1.00 0.00 H new ATOM 230 N VAL A 17 -0.546 2.420 -2.165 1.00 0.00 N ATOM 231 CA VAL A 17 -1.461 2.931 -1.144 1.00 0.00 C ATOM 232 C VAL A 17 -2.346 4.059 -1.689 1.00 0.00 C ATOM 233 O VAL A 17 -1.923 4.834 -2.549 1.00 0.00 O ATOM 234 CB VAL A 17 -0.686 3.441 0.095 1.00 0.00 C ATOM 235 CG1 VAL A 17 -1.645 3.819 1.214 1.00 0.00 C ATOM 236 CG2 VAL A 17 0.312 2.393 0.580 1.00 0.00 C ATOM 0 H VAL A 17 0.138 3.101 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.100 2.098 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.132 4.333 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.078 4.175 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.314 4.608 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.231 2.946 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.845 2.774 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.220 1.481 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.025 2.175 -0.215 1.00 0.00 H new ATOM 246 N ASP A 18 -3.578 4.134 -1.176 1.00 0.00 N ATOM 247 CA ASP A 18 -4.540 5.155 -1.593 1.00 0.00 C ATOM 248 C ASP A 18 -4.253 6.485 -0.903 1.00 0.00 C ATOM 249 O ASP A 18 -4.089 7.514 -1.561 1.00 0.00 O ATOM 250 CB ASP A 18 -5.966 4.700 -1.258 1.00 0.00 C ATOM 251 CG ASP A 18 -7.031 5.585 -1.880 1.00 0.00 C ATOM 252 OD1 ASP A 18 -7.134 6.765 -1.483 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.767 5.093 -2.759 1.00 0.00 O ATOM 0 H ASP A 18 -3.933 3.494 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.445 5.293 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.105 3.676 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.094 4.692 -0.176 1.00 0.00 H new ATOM 258 N ASP A 19 -4.196 6.451 0.433 1.00 0.00 N ATOM 259 CA ASP A 19 -3.930 7.652 1.228 1.00 0.00 C ATOM 260 C ASP A 19 -2.608 8.311 0.829 1.00 0.00 C ATOM 261 O ASP A 19 -2.409 9.502 1.070 1.00 0.00 O ATOM 262 CB ASP A 19 -3.915 7.313 2.721 1.00 0.00 C ATOM 263 CG ASP A 19 -4.471 8.429 3.590 1.00 0.00 C ATOM 264 OD1 ASP A 19 -4.387 9.606 3.183 1.00 0.00 O ATOM 265 OD2 ASP A 19 -4.988 8.124 4.686 1.00 0.00 O ATOM 0 H ASP A 19 -4.331 5.604 0.985 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.734 8.361 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.497 6.406 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.892 7.096 3.028 1.00 0.00 H new ATOM 270 N ASP A 20 -1.716 7.527 0.212 1.00 0.00 N ATOM 271 CA ASP A 20 -0.415 8.020 -0.236 1.00 0.00 C ATOM 272 C ASP A 20 -0.526 9.416 -0.859 1.00 0.00 C ATOM 273 O ASP A 20 0.259 10.307 -0.537 1.00 0.00 O ATOM 274 CB ASP A 20 0.196 7.043 -1.248 1.00 0.00 C ATOM 275 CG ASP A 20 1.631 6.687 -0.915 1.00 0.00 C ATOM 276 OD1 ASP A 20 1.843 5.735 -0.138 1.00 0.00 O ATOM 277 OD2 ASP A 20 2.546 7.360 -1.432 1.00 0.00 O ATOM 0 H ASP A 20 -1.877 6.540 0.012 1.00 0.00 H new ATOM 0 HA ASP A 20 0.233 8.093 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.403 6.133 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.156 7.484 -2.244 1.00 0.00 H new ATOM 282 N GLY A 21 -1.503 9.602 -1.752 1.00 0.00 N ATOM 283 CA GLY A 21 -1.681 10.899 -2.393 1.00 0.00 C ATOM 284 C GLY A 21 -0.890 11.044 -3.684 1.00 0.00 C ATOM 285 O GLY A 21 -1.089 11.998 -4.438 1.00 0.00 O ATOM 0 H GLY A 21 -2.168 8.884 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.740 11.050 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.379 11.684 -1.700 1.00 0.00 H new ATOM 289 N THR A 22 0.023 10.109 -3.922 1.00 0.00 N ATOM 290 CA THR A 22 0.872 10.137 -5.113 1.00 0.00 C ATOM 291 C THR A 22 0.188 9.453 -6.305 1.00 0.00 C ATOM 292 O THR A 22 -0.941 8.973 -6.194 1.00 0.00 O ATOM 293 CB THR A 22 2.236 9.483 -4.823 1.00 0.00 C ATOM 294 OG1 THR A 22 2.460 9.349 -3.427 1.00 0.00 O ATOM 295 CG2 THR A 22 3.402 10.268 -5.386 1.00 0.00 C ATOM 0 H THR A 22 0.197 9.317 -3.303 1.00 0.00 H new ATOM 0 HA THR A 22 1.037 11.181 -5.378 1.00 0.00 H new ATOM 0 HB THR A 22 2.188 8.508 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.383 9.602 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.334 9.756 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.298 10.349 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.414 11.266 -4.947 1.00 0.00 H new ATOM 303 N TYR A 23 0.879 9.430 -7.452 1.00 0.00 N ATOM 304 CA TYR A 23 0.342 8.829 -8.680 1.00 0.00 C ATOM 305 C TYR A 23 -0.064 7.371 -8.460 1.00 0.00 C ATOM 306 O TYR A 23 -1.017 6.889 -9.079 1.00 0.00 O ATOM 307 CB TYR A 23 1.382 8.912 -9.808 1.00 0.00 C ATOM 308 CG TYR A 23 0.881 8.420 -11.153 1.00 0.00 C ATOM 309 CD1 TYR A 23 0.712 7.062 -11.400 1.00 0.00 C ATOM 310 CD2 TYR A 23 0.578 9.313 -12.173 1.00 0.00 C ATOM 311 CE1 TYR A 23 0.254 6.609 -12.621 1.00 0.00 C ATOM 312 CE2 TYR A 23 0.117 8.867 -13.398 1.00 0.00 C ATOM 313 CZ TYR A 23 -0.042 7.515 -13.618 1.00 0.00 C ATOM 314 OH TYR A 23 -0.504 7.069 -14.836 1.00 0.00 O ATOM 0 H TYR A 23 1.815 9.822 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.549 9.391 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.708 9.947 -9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.258 8.329 -9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.943 6.349 -10.623 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.705 10.373 -12.007 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.128 5.551 -12.795 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.118 9.575 -14.179 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.665 7.835 -15.425 1.00 0.00 H new ATOM 324 N ALA A 24 0.652 6.675 -7.577 1.00 0.00 N ATOM 325 CA ALA A 24 0.355 5.273 -7.284 1.00 0.00 C ATOM 326 C ALA A 24 -1.104 5.091 -6.858 1.00 0.00 C ATOM 327 O ALA A 24 -1.725 4.085 -7.192 1.00 0.00 O ATOM 328 CB ALA A 24 1.279 4.748 -6.198 1.00 0.00 C ATOM 0 H ALA A 24 1.439 7.058 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 24 0.519 4.703 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.043 3.704 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.314 4.828 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.144 5.335 -5.290 1.00 0.00 H new ATOM 334 N ASP A 25 -1.649 6.070 -6.131 1.00 0.00 N ATOM 335 CA ASP A 25 -3.042 6.011 -5.679 1.00 0.00 C ATOM 336 C ASP A 25 -4.002 5.956 -6.874 1.00 0.00 C ATOM 337 O ASP A 25 -4.935 5.151 -6.893 1.00 0.00 O ATOM 338 CB ASP A 25 -3.357 7.232 -4.800 1.00 0.00 C ATOM 339 CG ASP A 25 -4.821 7.344 -4.393 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.530 6.316 -4.390 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.257 8.468 -4.070 1.00 0.00 O ATOM 0 H ASP A 25 -1.149 6.911 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.178 5.102 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.743 7.187 -3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.070 8.136 -5.336 1.00 0.00 H new ATOM 346 N LEU A 26 -3.754 6.807 -7.876 1.00 0.00 N ATOM 347 CA LEU A 26 -4.587 6.850 -9.081 1.00 0.00 C ATOM 348 C LEU A 26 -4.568 5.505 -9.808 1.00 0.00 C ATOM 349 O LEU A 26 -5.618 4.967 -10.162 1.00 0.00 O ATOM 350 CB LEU A 26 -4.107 7.966 -10.024 1.00 0.00 C ATOM 351 CG LEU A 26 -5.184 8.579 -10.930 1.00 0.00 C ATOM 352 CD1 LEU A 26 -5.874 7.506 -11.763 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.200 9.355 -10.101 1.00 0.00 C ATOM 0 H LEU A 26 -2.983 7.475 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.612 7.060 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.668 8.762 -9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.312 7.567 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.696 9.272 -11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.632 7.968 -12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.138 7.002 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.347 6.780 -11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.956 9.783 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.678 8.683 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.694 10.156 -9.561 1.00 0.00 H new ATOM 365 N VAL A 27 -3.368 4.965 -10.017 1.00 0.00 N ATOM 366 CA VAL A 27 -3.214 3.674 -10.692 1.00 0.00 C ATOM 367 C VAL A 27 -3.681 2.519 -9.798 1.00 0.00 C ATOM 368 O VAL A 27 -4.215 1.521 -10.288 1.00 0.00 O ATOM 369 CB VAL A 27 -1.756 3.438 -11.146 1.00 0.00 C ATOM 370 CG1 VAL A 27 -0.812 3.371 -9.955 1.00 0.00 C ATOM 371 CG2 VAL A 27 -1.652 2.178 -11.996 1.00 0.00 C ATOM 0 H VAL A 27 -2.490 5.398 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.846 3.703 -11.580 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.455 4.287 -11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.206 3.204 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.856 4.310 -9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.109 2.551 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.617 2.032 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.982 1.318 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.282 2.282 -12.879 1.00 0.00 H new ATOM 381 N ARG A 28 -3.481 2.669 -8.487 1.00 0.00 N ATOM 382 CA ARG A 28 -3.884 1.654 -7.514 1.00 0.00 C ATOM 383 C ARG A 28 -5.388 1.382 -7.598 1.00 0.00 C ATOM 384 O ARG A 28 -5.829 0.243 -7.436 1.00 0.00 O ATOM 385 CB ARG A 28 -3.509 2.103 -6.096 1.00 0.00 C ATOM 386 CG ARG A 28 -3.982 1.155 -5.003 1.00 0.00 C ATOM 387 CD ARG A 28 -5.236 1.683 -4.322 1.00 0.00 C ATOM 388 NE ARG A 28 -5.359 1.214 -2.941 1.00 0.00 N ATOM 389 CZ ARG A 28 -6.483 1.292 -2.222 1.00 0.00 C ATOM 390 NH1 ARG A 28 -7.585 1.829 -2.742 1.00 0.00 N ATOM 391 NH2 ARG A 28 -6.504 0.834 -0.975 1.00 0.00 N ATOM 0 H ARG A 28 -3.039 3.490 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.356 0.730 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.426 2.204 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.932 3.091 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.184 0.173 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.191 1.024 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.221 2.773 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.113 1.371 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.536 0.802 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.577 2.186 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.438 1.884 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.663 0.424 -0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.361 0.893 -0.425 1.00 0.00 H new ATOM 405 N ALA A 29 -6.168 2.435 -7.859 1.00 0.00 N ATOM 406 CA ALA A 29 -7.623 2.312 -7.974 1.00 0.00 C ATOM 407 C ALA A 29 -8.019 1.380 -9.119 1.00 0.00 C ATOM 408 O ALA A 29 -9.095 0.779 -9.090 1.00 0.00 O ATOM 409 CB ALA A 29 -8.263 3.680 -8.163 1.00 0.00 C ATOM 0 H ALA A 29 -5.815 3.382 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.990 1.876 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.344 3.568 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.029 4.313 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.875 4.141 -9.071 1.00 0.00 H new ATOM 415 N VAL A 30 -7.144 1.247 -10.120 1.00 0.00 N ATOM 416 CA VAL A 30 -7.413 0.365 -11.252 1.00 0.00 C ATOM 417 C VAL A 30 -7.079 -1.095 -10.904 1.00 0.00 C ATOM 418 O VAL A 30 -7.222 -1.987 -11.741 1.00 0.00 O ATOM 419 CB VAL A 30 -6.605 0.789 -12.503 1.00 0.00 C ATOM 420 CG1 VAL A 30 -7.111 0.067 -13.745 1.00 0.00 C ATOM 421 CG2 VAL A 30 -6.667 2.299 -12.700 1.00 0.00 C ATOM 0 H VAL A 30 -6.250 1.736 -10.167 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.477 0.447 -11.475 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.564 0.506 -12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.528 0.381 -14.611 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.006 -1.009 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.161 0.312 -13.906 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.093 2.574 -13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.704 2.607 -12.831 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.248 2.797 -11.826 1.00 0.00 H new ATOM 431 N ASP A 31 -6.651 -1.334 -9.653 1.00 0.00 N ATOM 432 CA ASP A 31 -6.315 -2.676 -9.184 1.00 0.00 C ATOM 433 C ASP A 31 -5.322 -3.363 -10.121 1.00 0.00 C ATOM 434 O ASP A 31 -5.610 -4.418 -10.691 1.00 0.00 O ATOM 435 CB ASP A 31 -7.588 -3.513 -9.026 1.00 0.00 C ATOM 436 CG ASP A 31 -7.379 -4.738 -8.153 1.00 0.00 C ATOM 437 OD1 ASP A 31 -6.758 -4.605 -7.076 1.00 0.00 O ATOM 438 OD2 ASP A 31 -7.842 -5.829 -8.545 1.00 0.00 O ATOM 0 H ASP A 31 -6.531 -0.606 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.833 -2.586 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.374 -2.894 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.935 -3.828 -10.010 1.00 0.00 H new ATOM 443 N LEU A 32 -4.149 -2.754 -10.275 1.00 0.00 N ATOM 444 CA LEU A 32 -3.109 -3.302 -11.140 1.00 0.00 C ATOM 445 C LEU A 32 -1.975 -3.924 -10.318 1.00 0.00 C ATOM 446 O LEU A 32 -0.817 -3.925 -10.744 1.00 0.00 O ATOM 447 CB LEU A 32 -2.559 -2.206 -12.059 1.00 0.00 C ATOM 448 CG LEU A 32 -2.982 -2.312 -13.525 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.486 -2.119 -13.669 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.224 -1.294 -14.364 1.00 0.00 C ATOM 0 H LEU A 32 -3.895 -1.881 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.553 -4.090 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.879 -1.237 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.470 -2.225 -12.009 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.736 -3.311 -13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.764 -2.198 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.008 -2.886 -13.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.764 -1.134 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.533 -1.379 -15.406 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.442 -0.289 -14.001 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.153 -1.484 -14.287 1.00 0.00 H new ATOM 462 N SER A 33 -2.313 -4.458 -9.143 1.00 0.00 N ATOM 463 CA SER A 33 -1.323 -5.085 -8.273 1.00 0.00 C ATOM 464 C SER A 33 -1.395 -6.607 -8.381 1.00 0.00 C ATOM 465 O SER A 33 -2.480 -7.187 -8.313 1.00 0.00 O ATOM 466 CB SER A 33 -1.531 -4.652 -6.816 1.00 0.00 C ATOM 467 OG SER A 33 -2.889 -4.328 -6.557 1.00 0.00 O ATOM 0 H SER A 33 -3.264 -4.468 -8.774 1.00 0.00 H new ATOM 0 HA SER A 33 -0.335 -4.759 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.214 -5.453 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.902 -3.788 -6.599 1.00 0.00 H new ATOM 0 HG SER A 33 -2.988 -4.058 -5.620 1.00 0.00 H new ATOM 473 N PRO A 34 -0.235 -7.280 -8.539 1.00 0.00 N ATOM 474 CA PRO A 34 -0.180 -8.746 -8.645 1.00 0.00 C ATOM 475 C PRO A 34 -0.634 -9.439 -7.358 1.00 0.00 C ATOM 476 O PRO A 34 -1.222 -10.521 -7.399 1.00 0.00 O ATOM 477 CB PRO A 34 1.302 -9.036 -8.916 1.00 0.00 C ATOM 478 CG PRO A 34 2.029 -7.840 -8.406 1.00 0.00 C ATOM 479 CD PRO A 34 1.108 -6.672 -8.616 1.00 0.00 C ATOM 0 HA PRO A 34 -0.847 -9.120 -9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.626 -9.943 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.487 -9.186 -9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.278 -7.956 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.968 -7.697 -8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.248 -5.907 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.278 -6.194 -9.581 1.00 0.00 H new ATOM 487 N HIS A 35 -0.357 -8.804 -6.216 1.00 0.00 N ATOM 488 CA HIS A 35 -0.739 -9.350 -4.913 1.00 0.00 C ATOM 489 C HIS A 35 -2.215 -9.082 -4.609 1.00 0.00 C ATOM 490 O HIS A 35 -2.898 -9.932 -4.034 1.00 0.00 O ATOM 491 CB HIS A 35 0.139 -8.756 -3.807 1.00 0.00 C ATOM 492 CG HIS A 35 1.491 -9.393 -3.710 1.00 0.00 C ATOM 493 ND1 HIS A 35 2.298 -9.627 -4.805 1.00 0.00 N ATOM 494 CD2 HIS A 35 2.175 -9.860 -2.638 1.00 0.00 C ATOM 495 CE1 HIS A 35 3.414 -10.211 -4.411 1.00 0.00 C ATOM 496 NE2 HIS A 35 3.365 -10.363 -3.100 1.00 0.00 N ATOM 0 H HIS A 35 0.131 -7.910 -6.169 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.589 -10.429 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.262 -7.688 -3.986 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.373 -8.862 -2.851 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.068 -9.386 -5.769 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.845 -9.840 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.229 -10.513 -5.052 1.00 0.00 H new ATOM 505 N GLU A 36 -2.696 -7.894 -4.999 1.00 0.00 N ATOM 506 CA GLU A 36 -4.088 -7.503 -4.774 1.00 0.00 C ATOM 507 C GLU A 36 -4.444 -7.577 -3.290 1.00 0.00 C ATOM 508 O GLU A 36 -5.065 -8.539 -2.835 1.00 0.00 O ATOM 509 CB GLU A 36 -5.027 -8.388 -5.602 1.00 0.00 C ATOM 510 CG GLU A 36 -5.762 -7.639 -6.703 1.00 0.00 C ATOM 511 CD GLU A 36 -6.021 -8.503 -7.921 1.00 0.00 C ATOM 512 OE1 GLU A 36 -7.010 -9.267 -7.908 1.00 0.00 O ATOM 513 OE2 GLU A 36 -5.232 -8.421 -8.885 1.00 0.00 O ATOM 0 H GLU A 36 -2.136 -7.186 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.211 -6.469 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.449 -9.197 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.758 -8.848 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.711 -7.270 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.177 -6.767 -6.998 1.00 0.00 H new ATOM 520 N VAL A 37 -4.040 -6.554 -2.536 1.00 0.00 N ATOM 521 CA VAL A 37 -4.312 -6.505 -1.101 1.00 0.00 C ATOM 522 C VAL A 37 -4.884 -5.147 -0.687 1.00 0.00 C ATOM 523 O VAL A 37 -4.688 -4.143 -1.375 1.00 0.00 O ATOM 524 CB VAL A 37 -3.041 -6.797 -0.272 1.00 0.00 C ATOM 525 CG1 VAL A 37 -2.514 -8.195 -0.566 1.00 0.00 C ATOM 526 CG2 VAL A 37 -1.969 -5.751 -0.541 1.00 0.00 C ATOM 0 H VAL A 37 -3.525 -5.750 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.052 -7.279 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.307 -6.748 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.619 -8.379 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.276 -8.932 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.269 -8.276 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.083 -5.976 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.708 -5.761 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.346 -4.765 -0.270 1.00 0.00 H new ATOM 536 N THR A 38 -5.593 -5.130 0.444 1.00 0.00 N ATOM 537 CA THR A 38 -6.200 -3.903 0.960 1.00 0.00 C ATOM 538 C THR A 38 -5.313 -3.255 2.023 1.00 0.00 C ATOM 539 O THR A 38 -5.022 -3.862 3.056 1.00 0.00 O ATOM 540 CB THR A 38 -7.587 -4.200 1.546 1.00 0.00 C ATOM 541 OG1 THR A 38 -8.346 -5.018 0.670 1.00 0.00 O ATOM 542 CG2 THR A 38 -8.399 -2.952 1.830 1.00 0.00 C ATOM 0 H THR A 38 -5.761 -5.955 1.020 1.00 0.00 H new ATOM 0 HA THR A 38 -6.305 -3.205 0.129 1.00 0.00 H new ATOM 0 HB THR A 38 -7.393 -4.711 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.225 -5.195 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.368 -3.234 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.867 -2.327 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.547 -2.396 0.904 1.00 0.00 H new ATOM 550 N VAL A 39 -4.891 -2.018 1.760 1.00 0.00 N ATOM 551 CA VAL A 39 -4.039 -1.275 2.687 1.00 0.00 C ATOM 552 C VAL A 39 -4.814 -0.141 3.359 1.00 0.00 C ATOM 553 O VAL A 39 -5.539 0.605 2.696 1.00 0.00 O ATOM 554 CB VAL A 39 -2.792 -0.700 1.971 1.00 0.00 C ATOM 555 CG1 VAL A 39 -3.185 0.297 0.888 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.841 -0.060 2.973 1.00 0.00 C ATOM 0 H VAL A 39 -5.127 -1.508 0.909 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.708 -1.978 3.451 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.275 -1.529 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.287 0.682 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.812 -0.199 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.738 1.122 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.972 0.337 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.352 0.750 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.517 -0.808 3.696 1.00 0.00 H new ATOM 566 N LEU A 40 -4.659 -0.019 4.679 1.00 0.00 N ATOM 567 CA LEU A 40 -5.347 1.023 5.440 1.00 0.00 C ATOM 568 C LEU A 40 -4.360 2.050 5.994 1.00 0.00 C ATOM 569 O LEU A 40 -3.333 1.691 6.570 1.00 0.00 O ATOM 570 CB LEU A 40 -6.152 0.404 6.589 1.00 0.00 C ATOM 571 CG LEU A 40 -5.355 -0.517 7.520 1.00 0.00 C ATOM 572 CD1 LEU A 40 -5.607 -0.157 8.978 1.00 0.00 C ATOM 573 CD2 LEU A 40 -5.707 -1.974 7.255 1.00 0.00 C ATOM 0 H LEU A 40 -4.064 -0.628 5.241 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.028 1.534 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.585 1.209 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.982 -0.162 6.166 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.293 -0.378 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.032 -0.823 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.301 0.874 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.669 -0.264 9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.133 -2.615 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.772 -2.129 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.469 -2.224 6.221 1.00 0.00 H new ATOM 585 N VAL A 41 -4.687 3.330 5.824 1.00 0.00 N ATOM 586 CA VAL A 41 -3.838 4.417 6.309 1.00 0.00 C ATOM 587 C VAL A 41 -4.595 5.296 7.299 1.00 0.00 C ATOM 588 O VAL A 41 -5.718 5.729 7.028 1.00 0.00 O ATOM 589 CB VAL A 41 -3.325 5.301 5.151 1.00 0.00 C ATOM 590 CG1 VAL A 41 -2.310 6.320 5.653 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.726 4.451 4.039 1.00 0.00 C ATOM 0 H VAL A 41 -5.537 3.640 5.353 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.985 3.953 6.804 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.178 5.842 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.964 6.930 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.777 6.960 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.462 5.800 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.373 5.098 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.890 3.873 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.486 3.773 3.650 1.00 0.00 H new ATOM 601 N ASP A 42 -3.968 5.561 8.443 1.00 0.00 N ATOM 602 CA ASP A 42 -4.569 6.394 9.476 1.00 0.00 C ATOM 603 C ASP A 42 -4.381 7.875 9.151 1.00 0.00 C ATOM 604 O ASP A 42 -3.265 8.325 8.891 1.00 0.00 O ATOM 605 CB ASP A 42 -3.966 6.062 10.849 1.00 0.00 C ATOM 606 CG ASP A 42 -2.488 6.406 10.965 1.00 0.00 C ATOM 607 OD1 ASP A 42 -1.678 5.821 10.213 1.00 0.00 O ATOM 608 OD2 ASP A 42 -2.141 7.252 11.818 1.00 0.00 O ATOM 0 H ASP A 42 -3.040 5.208 8.676 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.638 6.185 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.518 6.602 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.100 4.999 11.048 1.00 0.00 H new ATOM 613 N GLY A 43 -5.484 8.624 9.165 1.00 0.00 N ATOM 614 CA GLY A 43 -5.425 10.047 8.870 1.00 0.00 C ATOM 615 C GLY A 43 -4.839 10.852 10.018 1.00 0.00 C ATOM 616 O GLY A 43 -5.561 11.576 10.707 1.00 0.00 O ATOM 0 H GLY A 43 -6.417 8.270 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.824 10.205 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.428 10.412 8.649 1.00 0.00 H new ATOM 620 N ARG A 44 -3.528 10.716 10.228 1.00 0.00 N ATOM 621 CA ARG A 44 -2.839 11.428 11.302 1.00 0.00 C ATOM 622 C ARG A 44 -1.567 12.101 10.785 1.00 0.00 C ATOM 623 O ARG A 44 -0.737 11.458 10.140 1.00 0.00 O ATOM 624 CB ARG A 44 -2.495 10.464 12.440 1.00 0.00 C ATOM 625 CG ARG A 44 -2.686 11.062 13.823 1.00 0.00 C ATOM 626 CD ARG A 44 -1.542 10.689 14.751 1.00 0.00 C ATOM 627 NE ARG A 44 -1.696 9.338 15.290 1.00 0.00 N ATOM 628 CZ ARG A 44 -2.496 9.025 16.314 1.00 0.00 C ATOM 629 NH1 ARG A 44 -3.241 9.961 16.901 1.00 0.00 N ATOM 630 NH2 ARG A 44 -2.559 7.769 16.744 1.00 0.00 N ATOM 0 H ARG A 44 -2.923 10.118 9.666 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.508 12.202 11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.116 9.573 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.459 10.143 12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.755 12.147 13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.628 10.712 14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.598 10.759 14.210 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.493 11.404 15.572 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.159 8.587 14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.203 10.925 16.569 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.849 9.714 17.682 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.998 7.047 16.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.169 7.527 17.525 1.00 0.00 H new ATOM 644 N PRO A 45 -1.399 13.414 11.062 1.00 0.00 N ATOM 645 CA PRO A 45 -0.222 14.179 10.623 1.00 0.00 C ATOM 646 C PRO A 45 1.092 13.552 11.079 1.00 0.00 C ATOM 647 O PRO A 45 1.206 13.082 12.214 1.00 0.00 O ATOM 648 CB PRO A 45 -0.410 15.547 11.284 1.00 0.00 C ATOM 649 CG PRO A 45 -1.873 15.652 11.536 1.00 0.00 C ATOM 650 CD PRO A 45 -2.344 14.254 11.823 1.00 0.00 C ATOM 0 HA PRO A 45 -0.157 14.219 9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.157 15.619 12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.062 16.351 10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.078 16.313 12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.389 16.068 10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.313 14.030 12.889 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.372 14.101 11.495 1.00 0.00 H new ATOM 658 N VAL A 46 2.081 13.549 10.185 1.00 0.00 N ATOM 659 CA VAL A 46 3.394 12.978 10.486 1.00 0.00 C ATOM 660 C VAL A 46 4.513 13.725 9.757 1.00 0.00 C ATOM 661 O VAL A 46 4.296 14.294 8.685 1.00 0.00 O ATOM 662 CB VAL A 46 3.467 11.480 10.096 1.00 0.00 C ATOM 663 CG1 VAL A 46 2.614 10.630 11.028 1.00 0.00 C ATOM 664 CG2 VAL A 46 3.047 11.269 8.645 1.00 0.00 C ATOM 0 H VAL A 46 1.998 13.936 9.245 1.00 0.00 H new ATOM 0 HA VAL A 46 3.531 13.080 11.563 1.00 0.00 H new ATOM 0 HB VAL A 46 4.505 11.162 10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.684 9.583 10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.972 10.742 12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.575 10.956 10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.108 10.209 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.022 11.615 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.710 11.832 7.989 1.00 0.00 H new ATOM 674 N PRO A 47 5.738 13.714 10.324 1.00 0.00 N ATOM 675 CA PRO A 47 6.899 14.376 9.714 1.00 0.00 C ATOM 676 C PRO A 47 7.380 13.669 8.445 1.00 0.00 C ATOM 677 O PRO A 47 8.127 14.247 7.657 1.00 0.00 O ATOM 678 CB PRO A 47 7.971 14.299 10.803 1.00 0.00 C ATOM 679 CG PRO A 47 7.595 13.114 11.622 1.00 0.00 C ATOM 680 CD PRO A 47 6.092 13.045 11.593 1.00 0.00 C ATOM 0 HA PRO A 47 6.662 15.392 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.965 14.183 10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.989 15.207 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.035 12.204 11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.961 13.215 12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.737 12.015 11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.651 13.553 12.451 1.00 0.00 H new ATOM 688 N GLU A 48 6.943 12.419 8.251 1.00 0.00 N ATOM 689 CA GLU A 48 7.323 11.634 7.072 1.00 0.00 C ATOM 690 C GLU A 48 6.845 12.299 5.775 1.00 0.00 C ATOM 691 O GLU A 48 7.338 11.981 4.689 1.00 0.00 O ATOM 692 CB GLU A 48 6.753 10.213 7.167 1.00 0.00 C ATOM 693 CG GLU A 48 6.948 9.563 8.529 1.00 0.00 C ATOM 694 CD GLU A 48 6.825 8.051 8.483 1.00 0.00 C ATOM 695 OE1 GLU A 48 5.686 7.544 8.559 1.00 0.00 O ATOM 696 OE2 GLU A 48 7.870 7.374 8.374 1.00 0.00 O ATOM 0 H GLU A 48 6.325 11.929 8.897 1.00 0.00 H new ATOM 0 HA GLU A 48 8.412 11.585 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.688 10.243 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.225 9.591 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.931 9.831 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.211 9.962 9.226 1.00 0.00 H new ATOM 703 N ASP A 49 5.890 13.229 5.892 1.00 0.00 N ATOM 704 CA ASP A 49 5.353 13.938 4.728 1.00 0.00 C ATOM 705 C ASP A 49 6.312 15.027 4.228 1.00 0.00 C ATOM 706 O ASP A 49 6.041 15.674 3.214 1.00 0.00 O ATOM 707 CB ASP A 49 3.995 14.560 5.074 1.00 0.00 C ATOM 708 CG ASP A 49 2.820 13.694 4.651 1.00 0.00 C ATOM 709 OD1 ASP A 49 2.977 12.455 4.585 1.00 0.00 O ATOM 710 OD2 ASP A 49 1.737 14.258 4.389 1.00 0.00 O ATOM 0 H ASP A 49 5.474 13.507 6.781 1.00 0.00 H new ATOM 0 HA ASP A 49 5.231 13.209 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.944 14.732 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.914 15.534 4.591 1.00 0.00 H new ATOM 715 N GLN A 50 7.432 15.227 4.932 1.00 0.00 N ATOM 716 CA GLN A 50 8.415 16.232 4.541 1.00 0.00 C ATOM 717 C GLN A 50 8.984 15.928 3.153 1.00 0.00 C ATOM 718 O GLN A 50 9.158 16.830 2.334 1.00 0.00 O ATOM 719 CB GLN A 50 9.546 16.308 5.574 1.00 0.00 C ATOM 720 CG GLN A 50 10.183 14.965 5.914 1.00 0.00 C ATOM 721 CD GLN A 50 11.552 14.785 5.284 1.00 0.00 C ATOM 722 OE1 GLN A 50 11.813 13.785 4.616 1.00 0.00 O ATOM 723 NE2 GLN A 50 12.439 15.754 5.497 1.00 0.00 N ATOM 0 H GLN A 50 7.676 14.705 5.774 1.00 0.00 H new ATOM 0 HA GLN A 50 7.913 17.198 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.319 16.978 5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.156 16.753 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.272 14.874 6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.526 14.162 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.182 16.567 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.376 15.684 5.100 1.00 0.00 H new ATOM 732 N SER A 51 9.262 14.649 2.895 1.00 0.00 N ATOM 733 CA SER A 51 9.796 14.222 1.606 1.00 0.00 C ATOM 734 C SER A 51 9.050 12.990 1.105 1.00 0.00 C ATOM 735 O SER A 51 9.244 11.886 1.619 1.00 0.00 O ATOM 736 CB SER A 51 11.292 13.925 1.715 1.00 0.00 C ATOM 737 OG SER A 51 11.946 14.142 0.476 1.00 0.00 O ATOM 0 H SER A 51 9.125 13.892 3.564 1.00 0.00 H new ATOM 0 HA SER A 51 9.655 15.032 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.737 14.560 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.439 12.892 2.032 1.00 0.00 H new ATOM 0 HG SER A 51 12.902 13.947 0.572 1.00 0.00 H new ATOM 743 N VAL A 52 8.187 13.196 0.108 1.00 0.00 N ATOM 744 CA VAL A 52 7.384 12.116 -0.467 1.00 0.00 C ATOM 745 C VAL A 52 6.339 11.638 0.543 1.00 0.00 C ATOM 746 O VAL A 52 6.662 10.922 1.491 1.00 0.00 O ATOM 747 CB VAL A 52 8.248 10.915 -0.921 1.00 0.00 C ATOM 748 CG1 VAL A 52 7.427 9.959 -1.776 1.00 0.00 C ATOM 749 CG2 VAL A 52 9.487 11.387 -1.675 1.00 0.00 C ATOM 0 H VAL A 52 8.026 14.108 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 52 6.891 12.523 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 52 8.581 10.381 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.051 9.121 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.582 9.587 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.060 10.484 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.077 10.523 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.183 11.952 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.088 12.024 -1.025 1.00 0.00 H new ATOM 759 N GLU A 53 5.091 12.057 0.337 1.00 0.00 N ATOM 760 CA GLU A 53 3.992 11.688 1.232 1.00 0.00 C ATOM 761 C GLU A 53 3.727 10.183 1.181 1.00 0.00 C ATOM 762 O GLU A 53 2.820 9.723 0.487 1.00 0.00 O ATOM 763 CB GLU A 53 2.714 12.470 0.878 1.00 0.00 C ATOM 764 CG GLU A 53 2.465 12.611 -0.622 1.00 0.00 C ATOM 765 CD GLU A 53 1.080 13.144 -0.965 1.00 0.00 C ATOM 766 OE1 GLU A 53 0.328 13.518 -0.039 1.00 0.00 O ATOM 767 OE2 GLU A 53 0.746 13.189 -2.168 1.00 0.00 O ATOM 0 H GLU A 53 4.814 12.653 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 53 4.286 11.949 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.858 11.971 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.775 13.464 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.216 13.278 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.598 11.639 -1.096 1.00 0.00 H new ATOM 774 N VAL A 54 4.534 9.421 1.921 1.00 0.00 N ATOM 775 CA VAL A 54 4.394 7.968 1.966 1.00 0.00 C ATOM 776 C VAL A 54 4.113 7.479 3.383 1.00 0.00 C ATOM 777 O VAL A 54 4.368 8.186 4.359 1.00 0.00 O ATOM 778 CB VAL A 54 5.663 7.261 1.443 1.00 0.00 C ATOM 779 CG1 VAL A 54 5.800 7.461 -0.058 1.00 0.00 C ATOM 780 CG2 VAL A 54 6.905 7.760 2.179 1.00 0.00 C ATOM 0 H VAL A 54 5.291 9.788 2.497 1.00 0.00 H new ATOM 0 HA VAL A 54 3.550 7.719 1.322 1.00 0.00 H new ATOM 0 HB VAL A 54 5.568 6.193 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.699 6.957 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.928 7.044 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.871 8.526 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.787 7.248 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.013 8.834 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.803 7.555 3.245 1.00 0.00 H new ATOM 790 N ASP A 55 3.593 6.258 3.482 1.00 0.00 N ATOM 791 CA ASP A 55 3.277 5.650 4.771 1.00 0.00 C ATOM 792 C ASP A 55 3.427 4.131 4.700 1.00 0.00 C ATOM 793 O ASP A 55 3.031 3.510 3.713 1.00 0.00 O ATOM 794 CB ASP A 55 1.845 6.013 5.185 1.00 0.00 C ATOM 795 CG ASP A 55 1.778 6.859 6.446 1.00 0.00 C ATOM 796 OD1 ASP A 55 2.677 7.701 6.657 1.00 0.00 O ATOM 797 OD2 ASP A 55 0.817 6.683 7.223 1.00 0.00 O ATOM 0 H ASP A 55 3.380 5.667 2.678 1.00 0.00 H new ATOM 0 HA ASP A 55 3.975 6.035 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.364 6.552 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.276 5.096 5.341 1.00 0.00 H new ATOM 802 N ARG A 56 3.980 3.534 5.757 1.00 0.00 N ATOM 803 CA ARG A 56 4.161 2.084 5.804 1.00 0.00 C ATOM 804 C ARG A 56 2.967 1.440 6.506 1.00 0.00 C ATOM 805 O ARG A 56 2.617 1.814 7.627 1.00 0.00 O ATOM 806 CB ARG A 56 5.454 1.729 6.547 1.00 0.00 C ATOM 807 CG ARG A 56 5.640 0.235 6.779 1.00 0.00 C ATOM 808 CD ARG A 56 6.936 -0.055 7.522 1.00 0.00 C ATOM 809 NE ARG A 56 6.817 0.201 8.960 1.00 0.00 N ATOM 810 CZ ARG A 56 7.858 0.381 9.780 1.00 0.00 C ATOM 811 NH1 ARG A 56 9.104 0.329 9.315 1.00 0.00 N ATOM 812 NH2 ARG A 56 7.650 0.612 11.072 1.00 0.00 N ATOM 0 H ARG A 56 4.308 4.029 6.586 1.00 0.00 H new ATOM 0 HA ARG A 56 4.230 1.705 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.304 2.107 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.461 2.240 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.797 -0.154 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.644 -0.286 5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.220 -1.095 7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.735 0.561 7.110 1.00 0.00 H new ATOM 0 HE ARG A 56 5.880 0.245 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.272 0.151 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.891 0.468 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.698 0.652 11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.442 0.750 11.699 1.00 0.00 H new ATOM 826 N VAL A 57 2.335 0.488 5.825 1.00 0.00 N ATOM 827 CA VAL A 57 1.159 -0.195 6.362 1.00 0.00 C ATOM 828 C VAL A 57 1.236 -1.707 6.125 1.00 0.00 C ATOM 829 O VAL A 57 2.005 -2.175 5.288 1.00 0.00 O ATOM 830 CB VAL A 57 -0.127 0.361 5.702 1.00 0.00 C ATOM 831 CG1 VAL A 57 -1.367 -0.399 6.153 1.00 0.00 C ATOM 832 CG2 VAL A 57 -0.281 1.848 5.992 1.00 0.00 C ATOM 0 H VAL A 57 2.618 0.171 4.898 1.00 0.00 H new ATOM 0 HA VAL A 57 1.132 -0.013 7.436 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.027 0.221 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.248 0.021 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.269 -1.450 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.473 -0.313 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.191 2.219 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.342 2.004 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.579 2.387 5.596 1.00 0.00 H new ATOM 842 N LYS A 58 0.423 -2.459 6.864 1.00 0.00 N ATOM 843 CA LYS A 58 0.375 -3.913 6.731 1.00 0.00 C ATOM 844 C LYS A 58 -0.855 -4.329 5.926 1.00 0.00 C ATOM 845 O LYS A 58 -1.928 -3.737 6.068 1.00 0.00 O ATOM 846 CB LYS A 58 0.349 -4.579 8.108 1.00 0.00 C ATOM 847 CG LYS A 58 -0.568 -3.888 9.108 1.00 0.00 C ATOM 848 CD LYS A 58 -0.596 -4.622 10.441 1.00 0.00 C ATOM 849 CE LYS A 58 0.796 -4.719 11.053 1.00 0.00 C ATOM 850 NZ LYS A 58 0.780 -4.520 12.531 1.00 0.00 N ATOM 0 H LYS A 58 -0.215 -2.082 7.565 1.00 0.00 H new ATOM 0 HA LYS A 58 1.271 -4.240 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.031 -5.615 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.362 -4.598 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.232 -2.863 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.577 -3.834 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.262 -4.103 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.003 -5.623 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.223 -5.695 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.445 -3.972 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.749 -4.595 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.397 -3.578 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.183 -5.248 12.973 1.00 0.00 H new ATOM 864 N VAL A 59 -0.690 -5.338 5.075 1.00 0.00 N ATOM 865 CA VAL A 59 -1.784 -5.823 4.237 1.00 0.00 C ATOM 866 C VAL A 59 -1.865 -7.347 4.238 1.00 0.00 C ATOM 867 O VAL A 59 -0.844 -8.033 4.236 1.00 0.00 O ATOM 868 CB VAL A 59 -1.638 -5.339 2.779 1.00 0.00 C ATOM 869 CG1 VAL A 59 -2.034 -3.876 2.654 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.218 -5.555 2.275 1.00 0.00 C ATOM 0 H VAL A 59 0.191 -5.836 4.947 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.699 -5.414 4.666 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.312 -5.930 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.923 -3.556 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.072 -3.752 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.391 -3.269 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.140 -5.206 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.479 -4.997 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.026 -6.617 2.318 1.00 0.00 H new ATOM 880 N LEU A 60 -3.088 -7.871 4.230 1.00 0.00 N ATOM 881 CA LEU A 60 -3.303 -9.314 4.216 1.00 0.00 C ATOM 882 C LEU A 60 -3.485 -9.813 2.783 1.00 0.00 C ATOM 883 O LEU A 60 -4.298 -9.274 2.029 1.00 0.00 O ATOM 884 CB LEU A 60 -4.524 -9.682 5.065 1.00 0.00 C ATOM 885 CG LEU A 60 -4.276 -10.765 6.120 1.00 0.00 C ATOM 886 CD1 LEU A 60 -5.169 -10.545 7.332 1.00 0.00 C ATOM 887 CD2 LEU A 60 -4.507 -12.149 5.529 1.00 0.00 C ATOM 0 H LEU A 60 -3.945 -7.317 4.233 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.424 -9.797 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.884 -8.783 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.321 -10.018 4.402 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.237 -10.699 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.979 -11.324 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.955 -9.570 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.214 -10.583 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.326 -12.906 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.536 -12.227 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.825 -12.306 4.694 1.00 0.00 H new ATOM 899 N ARG A 61 -2.718 -10.841 2.415 1.00 0.00 N ATOM 900 CA ARG A 61 -2.780 -11.418 1.070 1.00 0.00 C ATOM 901 C ARG A 61 -4.210 -11.800 0.688 1.00 0.00 C ATOM 902 O ARG A 61 -4.949 -12.363 1.497 1.00 0.00 O ATOM 903 CB ARG A 61 -1.875 -12.651 0.975 1.00 0.00 C ATOM 904 CG ARG A 61 -0.525 -12.369 0.337 1.00 0.00 C ATOM 905 CD ARG A 61 0.213 -13.656 -0.003 1.00 0.00 C ATOM 906 NE ARG A 61 -0.200 -14.205 -1.297 1.00 0.00 N ATOM 907 CZ ARG A 61 0.162 -13.695 -2.479 1.00 0.00 C ATOM 908 NH1 ARG A 61 0.943 -12.621 -2.537 1.00 0.00 N ATOM 909 NH2 ARG A 61 -0.258 -14.262 -3.606 1.00 0.00 N ATOM 0 H ARG A 61 -2.044 -11.293 3.032 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.431 -10.657 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.717 -13.053 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.386 -13.422 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.666 -11.779 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.081 -11.770 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.286 -13.465 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.031 -14.394 0.778 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.802 -15.029 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.270 -12.181 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.216 -12.237 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.857 -15.087 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.019 -13.872 -4.507 1.00 0.00 H new ATOM 923 N LEU A 62 -4.587 -11.489 -0.552 1.00 0.00 N ATOM 924 CA LEU A 62 -5.926 -11.798 -1.051 1.00 0.00 C ATOM 925 C LEU A 62 -5.857 -12.767 -2.231 1.00 0.00 C ATOM 926 O LEU A 62 -5.470 -12.387 -3.337 1.00 0.00 O ATOM 927 CB LEU A 62 -6.645 -10.512 -1.471 1.00 0.00 C ATOM 928 CG LEU A 62 -8.171 -10.527 -1.316 1.00 0.00 C ATOM 929 CD1 LEU A 62 -8.802 -11.519 -2.284 1.00 0.00 C ATOM 930 CD2 LEU A 62 -8.563 -10.850 0.119 1.00 0.00 C ATOM 0 H LEU A 62 -3.983 -11.023 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.487 -12.274 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.246 -9.685 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.405 -10.307 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.547 -9.533 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.885 -11.513 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.555 -11.236 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.418 -12.519 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.649 -10.856 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.172 -11.830 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.149 -10.096 0.788 1.00 0.00 H new ATOM 942 N ILE A 63 -6.239 -14.018 -1.982 1.00 0.00 N ATOM 943 CA ILE A 63 -6.227 -15.051 -3.018 1.00 0.00 C ATOM 944 C ILE A 63 -7.449 -14.941 -3.931 1.00 0.00 C ATOM 945 O ILE A 63 -8.388 -14.197 -3.642 1.00 0.00 O ATOM 946 CB ILE A 63 -6.184 -16.471 -2.406 1.00 0.00 C ATOM 947 CG1 ILE A 63 -7.327 -16.665 -1.402 1.00 0.00 C ATOM 948 CG2 ILE A 63 -4.836 -16.724 -1.744 1.00 0.00 C ATOM 949 CD1 ILE A 63 -7.975 -18.031 -1.474 1.00 0.00 C ATOM 0 H ILE A 63 -6.561 -14.342 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.323 -14.889 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.314 -17.196 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.944 -16.507 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.086 -15.903 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.822 -17.727 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.043 -16.634 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.676 -15.992 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.774 -18.094 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.389 -18.185 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.229 -18.799 -1.268 1.00 0.00 H new ATOM 961 N LYS A 64 -7.429 -15.694 -5.031 1.00 0.00 N ATOM 962 CA LYS A 64 -8.533 -15.692 -5.990 1.00 0.00 C ATOM 963 C LYS A 64 -9.236 -17.053 -6.025 1.00 0.00 C ATOM 964 O LYS A 64 -10.465 -17.123 -5.977 1.00 0.00 O ATOM 965 CB LYS A 64 -8.021 -15.327 -7.387 1.00 0.00 C ATOM 966 CG LYS A 64 -9.131 -15.111 -8.404 1.00 0.00 C ATOM 967 CD LYS A 64 -8.760 -14.043 -9.423 1.00 0.00 C ATOM 968 CE LYS A 64 -9.954 -13.164 -9.777 1.00 0.00 C ATOM 969 NZ LYS A 64 -10.357 -12.274 -8.650 1.00 0.00 N ATOM 0 H LYS A 64 -6.658 -16.314 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.257 -14.943 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.420 -14.420 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.363 -16.120 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.340 -16.049 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.046 -14.820 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.957 -13.423 -9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.378 -14.519 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.709 -12.555 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.797 -13.796 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.963 -11.509 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.882 -12.826 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.508 -11.865 -8.210 1.00 0.00 H new ATOM 983 N GLY A 65 -8.448 -18.129 -6.111 1.00 0.00 N ATOM 984 CA GLY A 65 -9.010 -19.471 -6.151 1.00 0.00 C ATOM 985 C GLY A 65 -7.998 -20.537 -5.771 1.00 0.00 C ATOM 986 O GLY A 65 -7.214 -20.984 -6.611 1.00 0.00 O ATOM 0 H GLY A 65 -7.430 -18.092 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.862 -19.525 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.387 -19.674 -7.153 1.00 0.00 H new ATOM 990 N GLY A 66 -8.018 -20.943 -4.500 1.00 0.00 N ATOM 991 CA GLY A 66 -7.096 -21.960 -4.021 1.00 0.00 C ATOM 992 C GLY A 66 -7.771 -23.304 -3.833 1.00 0.00 C ATOM 993 O GLY A 66 -8.467 -23.479 -2.811 1.00 0.00 O ATOM 0 H GLY A 66 -8.659 -20.583 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.274 -22.064 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.663 -21.638 -3.074 1.00 0.00 H new TER 997 GLY A 66