USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 52 THR OG1 : rot 180:sc= 0.585 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 162:sc= 0.859 (180deg=0.705) USER MOD Set 2.1: A 34 TYR OH : rot 168:sc= 0.538 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.495 USER MOD Set 3.1: A 31 CYS SG : rot -61:sc= 0.0605 USER MOD Set 3.2: A 41 MET CE :methyl -156:sc= -1.31 (180deg=-3.03) USER MOD Set 4.1: A 4 SER OG : rot 120:sc= 0.566 USER MOD Set 4.2: A 6 GLN : amide:sc= 0.616 X(o=1.2,f=1) USER MOD Single : A 7 GLN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0425 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 2.31 (180deg=1.74) USER MOD Single : A 33 GLN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 36 GLN : amide:sc= 0.683 K(o=0.68,f=-0.32) USER MOD Single : A 37 ASN : amide:sc= 0.387 K(o=0.39,f=-2.4!) USER MOD Single : A 49 CYS SG : rot 80:sc= 0.0119 USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.982 USER MOD Single : A 51 SER OG : rot -22:sc= 0.0676 USER MOD Single : A 53 HIS : no HE2:sc= 0.0981 K(o=0.098,f=-0.84) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 78:sc= 0.761 USER MOD Single : A 67 HIS : no HE2:sc= 0.586 K(o=0.59,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 9.254 1.644 1.553 1.00 0.00 N ATOM 40 CA SER A 4 10.369 1.768 0.604 1.00 0.00 C ATOM 41 C SER A 4 11.544 2.532 1.238 1.00 0.00 C ATOM 42 O SER A 4 11.341 3.453 2.035 1.00 0.00 O ATOM 43 CB SER A 4 9.881 2.473 -0.672 1.00 0.00 C ATOM 44 OG SER A 4 10.908 2.563 -1.653 1.00 0.00 O ATOM 0 HA SER A 4 10.726 0.772 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.031 1.930 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.529 3.474 -0.422 1.00 0.00 H new ATOM 0 HG SER A 4 10.626 2.094 -2.466 1.00 0.00 H new ATOM 50 N ALA A 5 12.787 2.191 0.863 1.00 0.00 N ATOM 51 CA ALA A 5 14.017 2.782 1.416 1.00 0.00 C ATOM 52 C ALA A 5 14.108 4.305 1.225 1.00 0.00 C ATOM 53 O ALA A 5 14.708 4.996 2.049 1.00 0.00 O ATOM 54 CB ALA A 5 15.215 2.078 0.766 1.00 0.00 C ATOM 0 H ALA A 5 12.969 1.482 0.152 1.00 0.00 H new ATOM 0 HA ALA A 5 14.011 2.630 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.141 2.498 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.176 1.012 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.180 2.223 -0.314 1.00 0.00 H new ATOM 60 N GLN A 6 13.481 4.829 0.165 1.00 0.00 N ATOM 61 CA GLN A 6 13.402 6.267 -0.121 1.00 0.00 C ATOM 62 C GLN A 6 12.642 7.069 0.951 1.00 0.00 C ATOM 63 O GLN A 6 12.839 8.275 1.072 1.00 0.00 O ATOM 64 CB GLN A 6 12.774 6.459 -1.516 1.00 0.00 C ATOM 65 CG GLN A 6 11.269 6.145 -1.576 1.00 0.00 C ATOM 66 CD GLN A 6 10.768 6.037 -3.018 1.00 0.00 C ATOM 67 OE1 GLN A 6 10.529 7.025 -3.705 1.00 0.00 O ATOM 68 NE2 GLN A 6 10.600 4.838 -3.538 1.00 0.00 N ATOM 0 H GLN A 6 13.005 4.255 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 6 14.416 6.667 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.932 7.489 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.296 5.821 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.072 5.210 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.714 6.926 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.795 4.008 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.275 4.740 -4.500 1.00 0.00 H new ATOM 77 N GLN A 7 11.788 6.408 1.746 1.00 0.00 N ATOM 78 CA GLN A 7 11.110 7.004 2.899 1.00 0.00 C ATOM 79 C GLN A 7 12.042 6.981 4.118 1.00 0.00 C ATOM 80 O GLN A 7 12.337 8.023 4.703 1.00 0.00 O ATOM 81 CB GLN A 7 9.831 6.205 3.224 1.00 0.00 C ATOM 82 CG GLN A 7 8.791 6.162 2.091 1.00 0.00 C ATOM 83 CD GLN A 7 7.822 4.984 2.227 1.00 0.00 C ATOM 84 OE1 GLN A 7 7.437 4.358 1.246 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.397 4.586 3.410 1.00 0.00 N ATOM 0 H GLN A 7 11.547 5.428 1.600 1.00 0.00 H new ATOM 0 HA GLN A 7 10.846 8.034 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.113 5.183 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.365 6.637 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.226 7.094 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.306 6.096 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.694 5.080 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.771 3.784 3.484 1.00 0.00 H new ATOM 94 N LEU A 8 12.519 5.781 4.477 1.00 0.00 N ATOM 95 CA LEU A 8 13.199 5.502 5.739 1.00 0.00 C ATOM 96 C LEU A 8 14.535 6.245 5.844 1.00 0.00 C ATOM 97 O LEU A 8 14.838 6.826 6.889 1.00 0.00 O ATOM 98 CB LEU A 8 13.303 3.965 5.870 1.00 0.00 C ATOM 99 CG LEU A 8 13.546 3.455 7.305 1.00 0.00 C ATOM 100 CD1 LEU A 8 12.924 2.065 7.480 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.044 3.385 7.653 1.00 0.00 C ATOM 0 H LEU A 8 12.438 4.959 3.878 1.00 0.00 H new ATOM 0 HA LEU A 8 12.633 5.883 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.383 3.519 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.114 3.614 5.232 1.00 0.00 H new ATOM 0 HG LEU A 8 13.076 4.168 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.101 1.713 8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.851 2.121 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.378 1.372 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.164 3.020 8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.546 2.706 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.484 4.379 7.569 1.00 0.00 H new ATOM 113 N ALA A 9 15.297 6.314 4.749 1.00 0.00 N ATOM 114 CA ALA A 9 16.579 7.016 4.677 1.00 0.00 C ATOM 115 C ALA A 9 16.491 8.535 4.947 1.00 0.00 C ATOM 116 O ALA A 9 17.496 9.151 5.312 1.00 0.00 O ATOM 117 CB ALA A 9 17.185 6.724 3.297 1.00 0.00 C ATOM 0 H ALA A 9 15.033 5.873 3.868 1.00 0.00 H new ATOM 0 HA ALA A 9 17.218 6.644 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.145 7.232 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.331 5.650 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.510 7.082 2.520 1.00 0.00 H new ATOM 123 N GLU A 10 15.312 9.152 4.795 1.00 0.00 N ATOM 124 CA GLU A 10 15.107 10.574 5.100 1.00 0.00 C ATOM 125 C GLU A 10 15.167 10.843 6.617 1.00 0.00 C ATOM 126 O GLU A 10 15.679 11.884 7.034 1.00 0.00 O ATOM 127 CB GLU A 10 13.765 11.036 4.501 1.00 0.00 C ATOM 128 CG GLU A 10 13.621 12.565 4.498 1.00 0.00 C ATOM 129 CD GLU A 10 12.345 13.006 3.765 1.00 0.00 C ATOM 130 OE1 GLU A 10 12.399 13.223 2.532 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.279 13.153 4.413 1.00 0.00 O ATOM 0 H GLU A 10 14.474 8.680 4.457 1.00 0.00 H new ATOM 0 HA GLU A 10 15.915 11.150 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.678 10.664 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.946 10.598 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.598 12.932 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.491 13.013 4.018 1.00 0.00 H new ATOM 138 N GLU A 11 14.709 9.900 7.449 1.00 0.00 N ATOM 139 CA GLU A 11 14.724 10.036 8.913 1.00 0.00 C ATOM 140 C GLU A 11 16.128 9.788 9.491 1.00 0.00 C ATOM 141 O GLU A 11 16.565 10.518 10.386 1.00 0.00 O ATOM 142 CB GLU A 11 13.711 9.067 9.539 1.00 0.00 C ATOM 143 CG GLU A 11 12.258 9.293 9.102 1.00 0.00 C ATOM 144 CD GLU A 11 11.713 10.660 9.546 1.00 0.00 C ATOM 145 OE1 GLU A 11 11.499 10.852 10.768 1.00 0.00 O ATOM 146 OE2 GLU A 11 11.466 11.540 8.689 1.00 0.00 O ATOM 0 H GLU A 11 14.315 9.016 7.125 1.00 0.00 H new ATOM 0 HA GLU A 11 14.443 11.060 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.999 8.047 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.768 9.153 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.193 9.215 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.631 8.504 9.517 1.00 0.00 H new ATOM 153 N LEU A 12 16.871 8.808 8.955 1.00 0.00 N ATOM 154 CA LEU A 12 18.237 8.479 9.388 1.00 0.00 C ATOM 155 C LEU A 12 19.192 9.680 9.309 1.00 0.00 C ATOM 156 O LEU A 12 20.068 9.825 10.159 1.00 0.00 O ATOM 157 CB LEU A 12 18.772 7.318 8.531 1.00 0.00 C ATOM 158 CG LEU A 12 17.924 6.031 8.521 1.00 0.00 C ATOM 159 CD1 LEU A 12 18.623 4.986 7.655 1.00 0.00 C ATOM 160 CD2 LEU A 12 17.678 5.438 9.911 1.00 0.00 C ATOM 0 H LEU A 12 16.535 8.213 8.198 1.00 0.00 H new ATOM 0 HA LEU A 12 18.190 8.187 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.874 7.669 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.773 7.066 8.882 1.00 0.00 H new ATOM 0 HG LEU A 12 16.947 6.304 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.031 4.071 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.727 5.366 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.610 4.774 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.074 4.535 9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.633 5.191 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.152 6.165 10.529 1.00 0.00 H new ATOM 172 N GLN A 13 18.991 10.560 8.321 1.00 0.00 N ATOM 173 CA GLN A 13 19.771 11.784 8.112 1.00 0.00 C ATOM 174 C GLN A 13 19.453 12.897 9.133 1.00 0.00 C ATOM 175 O GLN A 13 20.260 13.817 9.297 1.00 0.00 O ATOM 176 CB GLN A 13 19.532 12.274 6.676 1.00 0.00 C ATOM 177 CG GLN A 13 20.223 11.379 5.637 1.00 0.00 C ATOM 178 CD GLN A 13 19.834 11.773 4.212 1.00 0.00 C ATOM 179 OE1 GLN A 13 20.453 12.608 3.559 1.00 0.00 O ATOM 180 NE2 GLN A 13 18.784 11.190 3.668 1.00 0.00 N ATOM 0 H GLN A 13 18.258 10.435 7.623 1.00 0.00 H new ATOM 0 HA GLN A 13 20.823 11.542 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 13 18.461 12.300 6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.900 13.295 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.304 11.452 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 13 19.953 10.338 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.257 10.494 4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.499 11.435 2.720 1.00 0.00 H new ATOM 189 N ILE A 14 18.322 12.827 9.853 1.00 0.00 N ATOM 190 CA ILE A 14 18.003 13.752 10.954 1.00 0.00 C ATOM 191 C ILE A 14 18.755 13.329 12.223 1.00 0.00 C ATOM 192 O ILE A 14 19.363 14.164 12.902 1.00 0.00 O ATOM 193 CB ILE A 14 16.472 13.795 11.207 1.00 0.00 C ATOM 194 CG1 ILE A 14 15.703 14.214 9.928 1.00 0.00 C ATOM 195 CG2 ILE A 14 16.146 14.758 12.365 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.176 14.136 10.053 1.00 0.00 C ATOM 0 H ILE A 14 17.600 12.125 9.688 1.00 0.00 H new ATOM 0 HA ILE A 14 18.324 14.756 10.676 1.00 0.00 H new ATOM 0 HB ILE A 14 16.149 12.791 11.481 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.983 15.235 9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 14 16.021 13.577 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.069 14.777 12.530 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.646 14.419 13.272 1.00 0.00 H new ATOM 0 HG23 ILE A 14 16.492 15.760 12.113 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.718 14.446 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.881 13.111 10.280 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.842 14.795 10.855 1.00 0.00 H new ATOM 208 N PHE A 15 18.744 12.024 12.525 1.00 0.00 N ATOM 209 CA PHE A 15 19.280 11.442 13.757 1.00 0.00 C ATOM 210 C PHE A 15 20.783 11.103 13.681 1.00 0.00 C ATOM 211 O PHE A 15 21.392 10.798 14.708 1.00 0.00 O ATOM 212 CB PHE A 15 18.433 10.206 14.098 1.00 0.00 C ATOM 213 CG PHE A 15 16.954 10.503 14.270 1.00 0.00 C ATOM 214 CD1 PHE A 15 16.527 11.399 15.268 1.00 0.00 C ATOM 215 CD2 PHE A 15 16.001 9.890 13.436 1.00 0.00 C ATOM 216 CE1 PHE A 15 15.158 11.679 15.428 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.637 10.174 13.595 1.00 0.00 C ATOM 218 CZ PHE A 15 14.213 11.067 14.590 1.00 0.00 C ATOM 0 H PHE A 15 18.349 11.324 11.897 1.00 0.00 H new ATOM 0 HA PHE A 15 19.212 12.186 14.551 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.555 9.465 13.308 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.813 9.759 15.017 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.253 11.873 15.913 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.321 9.198 12.671 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.834 12.365 16.196 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.910 9.703 12.949 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.162 11.283 14.711 1.00 0.00 H new ATOM 228 N GLY A 16 21.394 11.148 12.488 1.00 0.00 N ATOM 229 CA GLY A 16 22.816 10.842 12.272 1.00 0.00 C ATOM 230 C GLY A 16 23.114 9.339 12.236 1.00 0.00 C ATOM 231 O GLY A 16 24.236 8.934 12.553 1.00 0.00 O ATOM 0 H GLY A 16 20.905 11.403 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.139 11.292 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.404 11.303 13.065 1.00 0.00 H new ATOM 235 N LEU A 17 22.123 8.511 11.888 1.00 0.00 N ATOM 236 CA LEU A 17 22.241 7.050 11.831 1.00 0.00 C ATOM 237 C LEU A 17 22.997 6.639 10.554 1.00 0.00 C ATOM 238 O LEU A 17 22.478 6.734 9.442 1.00 0.00 O ATOM 239 CB LEU A 17 20.823 6.437 11.919 1.00 0.00 C ATOM 240 CG LEU A 17 20.150 6.611 13.301 1.00 0.00 C ATOM 241 CD1 LEU A 17 18.657 6.281 13.192 1.00 0.00 C ATOM 242 CD2 LEU A 17 20.785 5.717 14.376 1.00 0.00 C ATOM 0 H LEU A 17 21.194 8.846 11.632 1.00 0.00 H new ATOM 0 HA LEU A 17 22.821 6.669 12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.192 6.896 11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 17 20.882 5.374 11.686 1.00 0.00 H new ATOM 0 HG LEU A 17 20.293 7.649 13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.185 6.404 14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.187 6.953 12.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.536 5.251 12.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.278 5.876 15.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.688 4.671 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 21.840 5.968 14.481 1.00 0.00 H new ATOM 254 N ASP A 18 24.249 6.201 10.716 1.00 0.00 N ATOM 255 CA ASP A 18 25.250 5.993 9.653 1.00 0.00 C ATOM 256 C ASP A 18 25.083 4.659 8.900 1.00 0.00 C ATOM 257 O ASP A 18 26.046 3.935 8.636 1.00 0.00 O ATOM 258 CB ASP A 18 26.647 6.170 10.283 1.00 0.00 C ATOM 259 CG ASP A 18 27.785 6.279 9.254 1.00 0.00 C ATOM 260 OD1 ASP A 18 27.640 7.036 8.263 1.00 0.00 O ATOM 261 OD2 ASP A 18 28.850 5.646 9.464 1.00 0.00 O ATOM 0 H ASP A 18 24.616 5.968 11.639 1.00 0.00 H new ATOM 0 HA ASP A 18 25.105 6.738 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.644 7.066 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.847 5.326 10.943 1.00 0.00 H new ATOM 266 N CYS A 19 23.841 4.301 8.556 1.00 0.00 N ATOM 267 CA CYS A 19 23.523 3.111 7.755 1.00 0.00 C ATOM 268 C CYS A 19 23.878 3.310 6.267 1.00 0.00 C ATOM 269 O CYS A 19 23.464 4.301 5.658 1.00 0.00 O ATOM 270 CB CYS A 19 22.028 2.790 7.920 1.00 0.00 C ATOM 271 SG CYS A 19 21.664 2.276 9.623 1.00 0.00 S ATOM 0 H CYS A 19 23.017 4.836 8.829 1.00 0.00 H new ATOM 0 HA CYS A 19 24.125 2.275 8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.433 3.667 7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 19 21.743 1.998 7.227 1.00 0.00 H new ATOM 0 HG CYS A 19 20.396 2.013 9.735 1.00 0.00 H new ATOM 277 N GLU A 20 24.586 2.345 5.674 1.00 0.00 N ATOM 278 CA GLU A 20 24.645 2.175 4.214 1.00 0.00 C ATOM 279 C GLU A 20 23.349 1.554 3.676 1.00 0.00 C ATOM 280 O GLU A 20 22.544 1.025 4.439 1.00 0.00 O ATOM 281 CB GLU A 20 25.847 1.314 3.792 1.00 0.00 C ATOM 282 CG GLU A 20 25.864 -0.111 4.364 1.00 0.00 C ATOM 283 CD GLU A 20 27.100 -0.872 3.864 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.054 -1.440 2.749 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.131 -0.894 4.576 1.00 0.00 O ATOM 0 H GLU A 20 25.136 1.658 6.190 1.00 0.00 H new ATOM 0 HA GLU A 20 24.766 3.169 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.865 1.252 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.762 1.822 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.868 -0.073 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.958 -0.640 4.067 1.00 0.00 H new ATOM 292 N GLU A 21 23.190 1.530 2.354 1.00 0.00 N ATOM 293 CA GLU A 21 22.054 0.915 1.663 1.00 0.00 C ATOM 294 C GLU A 21 21.742 -0.518 2.131 1.00 0.00 C ATOM 295 O GLU A 21 20.575 -0.849 2.349 1.00 0.00 O ATOM 296 CB GLU A 21 22.262 0.991 0.140 1.00 0.00 C ATOM 297 CG GLU A 21 23.594 0.462 -0.421 1.00 0.00 C ATOM 298 CD GLU A 21 24.612 1.589 -0.660 1.00 0.00 C ATOM 299 OE1 GLU A 21 25.023 2.258 0.317 1.00 0.00 O ATOM 300 OE2 GLU A 21 25.012 1.814 -1.825 1.00 0.00 O ATOM 0 H GLU A 21 23.865 1.949 1.715 1.00 0.00 H new ATOM 0 HA GLU A 21 21.169 1.492 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.453 0.439 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.160 2.033 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.016 -0.265 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 21 23.409 -0.063 -1.358 1.00 0.00 H new ATOM 307 N ALA A 22 22.764 -1.347 2.377 1.00 0.00 N ATOM 308 CA ALA A 22 22.589 -2.722 2.850 1.00 0.00 C ATOM 309 C ALA A 22 22.064 -2.810 4.296 1.00 0.00 C ATOM 310 O ALA A 22 21.426 -3.801 4.653 1.00 0.00 O ATOM 311 CB ALA A 22 23.926 -3.447 2.683 1.00 0.00 C ATOM 0 H ALA A 22 23.740 -1.079 2.252 1.00 0.00 H new ATOM 0 HA ALA A 22 21.817 -3.205 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.827 -4.476 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.214 -3.442 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.691 -2.939 3.271 1.00 0.00 H new ATOM 317 N LEU A 23 22.305 -1.780 5.119 1.00 0.00 N ATOM 318 CA LEU A 23 21.733 -1.646 6.463 1.00 0.00 C ATOM 319 C LEU A 23 20.359 -0.956 6.430 1.00 0.00 C ATOM 320 O LEU A 23 19.477 -1.358 7.180 1.00 0.00 O ATOM 321 CB LEU A 23 22.728 -0.911 7.389 1.00 0.00 C ATOM 322 CG LEU A 23 24.060 -1.652 7.641 1.00 0.00 C ATOM 323 CD1 LEU A 23 24.935 -0.804 8.581 1.00 0.00 C ATOM 324 CD2 LEU A 23 23.871 -3.057 8.235 1.00 0.00 C ATOM 0 H LEU A 23 22.914 -1.003 4.863 1.00 0.00 H new ATOM 0 HA LEU A 23 21.565 -2.644 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.949 0.065 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.243 -0.732 8.348 1.00 0.00 H new ATOM 0 HG LEU A 23 24.543 -1.787 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.878 -1.320 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.134 0.163 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.414 -0.654 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.845 -3.522 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.352 -2.981 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.282 -3.666 7.549 1.00 0.00 H new ATOM 336 N ILE A 24 20.119 0.011 5.535 1.00 0.00 N ATOM 337 CA ILE A 24 18.791 0.639 5.322 1.00 0.00 C ATOM 338 C ILE A 24 17.752 -0.416 4.908 1.00 0.00 C ATOM 339 O ILE A 24 16.656 -0.473 5.477 1.00 0.00 O ATOM 340 CB ILE A 24 18.894 1.781 4.274 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.794 2.919 4.809 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.501 2.342 3.914 1.00 0.00 C ATOM 343 CD1 ILE A 24 20.190 3.972 3.766 1.00 0.00 C ATOM 0 H ILE A 24 20.845 0.390 4.927 1.00 0.00 H new ATOM 0 HA ILE A 24 18.456 1.078 6.262 1.00 0.00 H new ATOM 0 HB ILE A 24 19.337 1.363 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.277 3.417 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.701 2.481 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.609 3.139 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.884 1.545 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.025 2.738 4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.820 4.728 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.739 3.493 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.292 4.444 3.367 1.00 0.00 H new ATOM 355 N GLU A 25 18.115 -1.296 3.972 1.00 0.00 N ATOM 356 CA GLU A 25 17.278 -2.434 3.566 1.00 0.00 C ATOM 357 C GLU A 25 16.911 -3.364 4.735 1.00 0.00 C ATOM 358 O GLU A 25 15.848 -3.979 4.691 1.00 0.00 O ATOM 359 CB GLU A 25 17.966 -3.243 2.454 1.00 0.00 C ATOM 360 CG GLU A 25 17.882 -2.541 1.094 1.00 0.00 C ATOM 361 CD GLU A 25 18.455 -3.438 -0.015 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.697 -3.498 -0.188 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.665 -4.093 -0.737 1.00 0.00 O ATOM 0 H GLU A 25 19.001 -1.241 3.470 1.00 0.00 H new ATOM 0 HA GLU A 25 16.347 -2.008 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.012 -3.401 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.503 -4.227 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.844 -2.294 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.433 -1.601 1.129 1.00 0.00 H new ATOM 370 N LYS A 26 17.706 -3.434 5.815 1.00 0.00 N ATOM 371 CA LYS A 26 17.333 -4.231 6.988 1.00 0.00 C ATOM 372 C LYS A 26 16.123 -3.656 7.734 1.00 0.00 C ATOM 373 O LYS A 26 15.213 -4.408 8.068 1.00 0.00 O ATOM 374 CB LYS A 26 18.544 -4.466 7.914 1.00 0.00 C ATOM 375 CG LYS A 26 18.247 -5.400 9.105 1.00 0.00 C ATOM 376 CD LYS A 26 17.769 -6.802 8.703 1.00 0.00 C ATOM 377 CE LYS A 26 17.402 -7.587 9.964 1.00 0.00 C ATOM 378 NZ LYS A 26 16.906 -8.946 9.633 1.00 0.00 N ATOM 0 H LYS A 26 18.601 -2.953 5.898 1.00 0.00 H new ATOM 0 HA LYS A 26 17.014 -5.207 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.360 -4.888 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.889 -3.505 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.148 -5.496 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.488 -4.936 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.906 -6.730 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.552 -7.322 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.275 -7.665 10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.638 -7.045 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.360 -9.321 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.296 -8.898 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.713 -9.573 9.440 1.00 0.00 H new ATOM 392 N LEU A 27 16.045 -2.334 7.934 1.00 0.00 N ATOM 393 CA LEU A 27 14.879 -1.708 8.577 1.00 0.00 C ATOM 394 C LEU A 27 13.644 -1.783 7.669 1.00 0.00 C ATOM 395 O LEU A 27 12.550 -2.053 8.154 1.00 0.00 O ATOM 396 CB LEU A 27 15.175 -0.253 9.008 1.00 0.00 C ATOM 397 CG LEU A 27 16.301 -0.016 10.038 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.215 -0.978 11.238 1.00 0.00 C ATOM 399 CD2 LEU A 27 17.680 -0.094 9.380 1.00 0.00 C ATOM 0 H LEU A 27 16.775 -1.676 7.660 1.00 0.00 H new ATOM 0 HA LEU A 27 14.662 -2.272 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.417 0.318 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.256 0.168 9.416 1.00 0.00 H new ATOM 0 HG LEU A 27 16.159 0.993 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.029 -0.768 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.261 -0.841 11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.294 -2.007 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.452 0.077 10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.817 -1.081 8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.756 0.666 8.602 1.00 0.00 H new ATOM 411 N VAL A 28 13.823 -1.645 6.349 1.00 0.00 N ATOM 412 CA VAL A 28 12.751 -1.887 5.362 1.00 0.00 C ATOM 413 C VAL A 28 12.237 -3.335 5.436 1.00 0.00 C ATOM 414 O VAL A 28 11.027 -3.548 5.438 1.00 0.00 O ATOM 415 CB VAL A 28 13.203 -1.519 3.928 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.134 -1.858 2.874 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.508 -0.011 3.830 1.00 0.00 C ATOM 0 H VAL A 28 14.710 -1.364 5.931 1.00 0.00 H new ATOM 0 HA VAL A 28 11.919 -1.230 5.618 1.00 0.00 H new ATOM 0 HB VAL A 28 14.097 -2.109 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.498 -1.581 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.926 -2.928 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.220 -1.305 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.824 0.231 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.612 0.558 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.304 0.245 4.529 1.00 0.00 H new ATOM 427 N GLU A 29 13.124 -4.331 5.574 1.00 0.00 N ATOM 428 CA GLU A 29 12.752 -5.736 5.796 1.00 0.00 C ATOM 429 C GLU A 29 11.927 -5.906 7.084 1.00 0.00 C ATOM 430 O GLU A 29 10.859 -6.525 7.026 1.00 0.00 O ATOM 431 CB GLU A 29 14.006 -6.630 5.806 1.00 0.00 C ATOM 432 CG GLU A 29 13.674 -8.125 5.918 1.00 0.00 C ATOM 433 CD GLU A 29 14.951 -8.963 6.073 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.446 -9.097 7.218 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.462 -9.498 5.059 1.00 0.00 O ATOM 0 H GLU A 29 14.132 -4.182 5.534 1.00 0.00 H new ATOM 0 HA GLU A 29 12.117 -6.052 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.576 -6.457 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.645 -6.341 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.019 -8.292 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.129 -8.447 5.031 1.00 0.00 H new ATOM 442 N LEU A 30 12.350 -5.318 8.214 1.00 0.00 N ATOM 443 CA LEU A 30 11.577 -5.372 9.469 1.00 0.00 C ATOM 444 C LEU A 30 10.136 -4.882 9.259 1.00 0.00 C ATOM 445 O LEU A 30 9.198 -5.535 9.709 1.00 0.00 O ATOM 446 CB LEU A 30 12.249 -4.571 10.607 1.00 0.00 C ATOM 447 CG LEU A 30 13.652 -5.012 11.063 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.123 -4.125 12.220 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.715 -6.478 11.497 1.00 0.00 C ATOM 0 H LEU A 30 13.225 -4.798 8.286 1.00 0.00 H new ATOM 0 HA LEU A 30 11.552 -6.419 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.311 -3.529 10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.589 -4.603 11.474 1.00 0.00 H new ATOM 0 HG LEU A 30 14.307 -4.904 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.116 -4.441 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.161 -3.087 11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.428 -4.216 13.054 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.731 -6.723 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.033 -6.640 12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.426 -7.117 10.663 1.00 0.00 H new ATOM 461 N CYS A 31 9.929 -3.785 8.522 1.00 0.00 N ATOM 462 CA CYS A 31 8.595 -3.240 8.232 1.00 0.00 C ATOM 463 C CYS A 31 7.700 -4.192 7.422 1.00 0.00 C ATOM 464 O CYS A 31 6.476 -4.113 7.532 1.00 0.00 O ATOM 465 CB CYS A 31 8.746 -1.879 7.540 1.00 0.00 C ATOM 466 SG CYS A 31 9.448 -0.670 8.699 1.00 0.00 S ATOM 0 H CYS A 31 10.688 -3.245 8.106 1.00 0.00 H new ATOM 0 HA CYS A 31 8.078 -3.115 9.184 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.391 -1.975 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.776 -1.533 7.183 1.00 0.00 H new ATOM 0 HG CYS A 31 8.651 -0.531 9.716 1.00 0.00 H new ATOM 472 N VAL A 32 8.284 -5.101 6.640 1.00 0.00 N ATOM 473 CA VAL A 32 7.562 -6.131 5.872 1.00 0.00 C ATOM 474 C VAL A 32 7.336 -7.399 6.722 1.00 0.00 C ATOM 475 O VAL A 32 6.255 -7.983 6.676 1.00 0.00 O ATOM 476 CB VAL A 32 8.315 -6.457 4.557 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.685 -7.626 3.776 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.357 -5.232 3.630 1.00 0.00 C ATOM 0 H VAL A 32 9.295 -5.147 6.516 1.00 0.00 H new ATOM 0 HA VAL A 32 6.581 -5.737 5.608 1.00 0.00 H new ATOM 0 HB VAL A 32 9.321 -6.745 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.257 -7.806 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.695 -8.524 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.656 -7.377 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.891 -5.487 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.340 -4.927 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.870 -4.412 4.133 1.00 0.00 H new ATOM 488 N GLN A 33 8.337 -7.819 7.508 1.00 0.00 N ATOM 489 CA GLN A 33 8.306 -9.039 8.323 1.00 0.00 C ATOM 490 C GLN A 33 7.419 -8.879 9.576 1.00 0.00 C ATOM 491 O GLN A 33 6.587 -9.738 9.864 1.00 0.00 O ATOM 492 CB GLN A 33 9.762 -9.389 8.696 1.00 0.00 C ATOM 493 CG GLN A 33 9.922 -10.705 9.474 1.00 0.00 C ATOM 494 CD GLN A 33 9.534 -11.934 8.646 1.00 0.00 C ATOM 495 OE1 GLN A 33 8.470 -12.521 8.804 1.00 0.00 O ATOM 496 NE2 GLN A 33 10.365 -12.359 7.716 1.00 0.00 N ATOM 0 H GLN A 33 9.214 -7.305 7.596 1.00 0.00 H new ATOM 0 HA GLN A 33 7.858 -9.852 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.354 -9.448 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.176 -8.576 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.957 -10.805 9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.306 -10.668 10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.255 -11.882 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.118 -13.165 7.141 1.00 0.00 H new ATOM 505 N TYR A 34 7.581 -7.781 10.316 1.00 0.00 N ATOM 506 CA TYR A 34 6.891 -7.501 11.585 1.00 0.00 C ATOM 507 C TYR A 34 5.604 -6.675 11.407 1.00 0.00 C ATOM 508 O TYR A 34 4.725 -6.700 12.273 1.00 0.00 O ATOM 509 CB TYR A 34 7.862 -6.779 12.536 1.00 0.00 C ATOM 510 CG TYR A 34 8.988 -7.666 13.037 1.00 0.00 C ATOM 511 CD1 TYR A 34 10.132 -7.875 12.248 1.00 0.00 C ATOM 512 CD2 TYR A 34 8.891 -8.287 14.298 1.00 0.00 C ATOM 513 CE1 TYR A 34 11.155 -8.732 12.690 1.00 0.00 C ATOM 514 CE2 TYR A 34 9.913 -9.144 14.755 1.00 0.00 C ATOM 515 CZ TYR A 34 11.056 -9.365 13.949 1.00 0.00 C ATOM 516 OH TYR A 34 12.073 -10.150 14.393 1.00 0.00 O ATOM 0 H TYR A 34 8.218 -7.033 10.042 1.00 0.00 H new ATOM 0 HA TYR A 34 6.582 -8.457 12.007 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.289 -5.918 12.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.304 -6.396 13.390 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.226 -7.374 11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.027 -8.105 14.920 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.019 -8.907 12.066 1.00 0.00 H new ATOM 0 HE2 TYR A 34 9.824 -9.630 15.716 1.00 0.00 H new ATOM 0 HH TYR A 34 11.943 -10.348 15.344 1.00 0.00 H new ATOM 526 N GLY A 35 5.489 -5.922 10.299 1.00 0.00 N ATOM 527 CA GLY A 35 4.326 -5.085 9.956 1.00 0.00 C ATOM 528 C GLY A 35 4.268 -3.731 10.677 1.00 0.00 C ATOM 529 O GLY A 35 3.353 -2.946 10.423 1.00 0.00 O ATOM 0 H GLY A 35 6.226 -5.878 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.329 -4.907 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.417 -5.641 10.185 1.00 0.00 H new ATOM 533 N GLN A 36 5.215 -3.451 11.579 1.00 0.00 N ATOM 534 CA GLN A 36 5.317 -2.182 12.307 1.00 0.00 C ATOM 535 C GLN A 36 5.863 -1.071 11.386 1.00 0.00 C ATOM 536 O GLN A 36 6.678 -1.322 10.491 1.00 0.00 O ATOM 537 CB GLN A 36 6.172 -2.398 13.574 1.00 0.00 C ATOM 538 CG GLN A 36 6.372 -1.128 14.420 1.00 0.00 C ATOM 539 CD GLN A 36 7.200 -1.383 15.679 1.00 0.00 C ATOM 540 OE1 GLN A 36 6.681 -1.596 16.770 1.00 0.00 O ATOM 541 NE2 GLN A 36 8.512 -1.383 15.578 1.00 0.00 N ATOM 0 H GLN A 36 5.948 -4.115 11.829 1.00 0.00 H new ATOM 0 HA GLN A 36 4.331 -1.846 12.628 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.701 -3.163 14.191 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.148 -2.783 13.279 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.864 -0.367 13.815 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.398 -0.729 14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.954 -1.207 14.676 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.087 -1.559 16.402 1.00 0.00 H new ATOM 550 N ASN A 37 5.415 0.169 11.605 1.00 0.00 N ATOM 551 CA ASN A 37 5.836 1.336 10.824 1.00 0.00 C ATOM 552 C ASN A 37 7.313 1.733 11.062 1.00 0.00 C ATOM 553 O ASN A 37 7.829 1.613 12.175 1.00 0.00 O ATOM 554 CB ASN A 37 4.886 2.504 11.147 1.00 0.00 C ATOM 555 CG ASN A 37 5.214 3.746 10.327 1.00 0.00 C ATOM 556 OD1 ASN A 37 5.941 4.628 10.773 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.749 3.820 9.094 1.00 0.00 N ATOM 0 H ASN A 37 4.742 0.393 12.338 1.00 0.00 H new ATOM 0 HA ASN A 37 5.777 1.078 9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.858 2.201 10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.951 2.742 12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.993 4.615 8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.145 3.082 8.732 1.00 0.00 H new ATOM 564 N GLU A 38 7.948 2.294 10.028 1.00 0.00 N ATOM 565 CA GLU A 38 9.337 2.781 10.013 1.00 0.00 C ATOM 566 C GLU A 38 9.731 3.683 11.204 1.00 0.00 C ATOM 567 O GLU A 38 10.872 3.615 11.673 1.00 0.00 O ATOM 568 CB GLU A 38 9.600 3.506 8.674 1.00 0.00 C ATOM 569 CG GLU A 38 8.695 4.724 8.417 1.00 0.00 C ATOM 570 CD GLU A 38 9.010 5.394 7.073 1.00 0.00 C ATOM 571 OE1 GLU A 38 9.955 6.214 7.019 1.00 0.00 O ATOM 572 OE2 GLU A 38 8.291 5.136 6.074 1.00 0.00 O ATOM 0 H GLU A 38 7.485 2.429 9.129 1.00 0.00 H new ATOM 0 HA GLU A 38 9.970 1.900 10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.640 3.831 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.470 2.794 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.651 4.411 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.822 5.447 9.222 1.00 0.00 H new ATOM 579 N GLU A 39 8.803 4.491 11.733 1.00 0.00 N ATOM 580 CA GLU A 39 9.041 5.390 12.864 1.00 0.00 C ATOM 581 C GLU A 39 9.437 4.624 14.139 1.00 0.00 C ATOM 582 O GLU A 39 10.281 5.099 14.904 1.00 0.00 O ATOM 583 CB GLU A 39 7.779 6.244 13.086 1.00 0.00 C ATOM 584 CG GLU A 39 7.999 7.382 14.088 1.00 0.00 C ATOM 585 CD GLU A 39 6.748 8.272 14.194 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.604 9.235 13.404 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.896 8.009 15.077 1.00 0.00 O ATOM 0 H GLU A 39 7.848 4.537 11.378 1.00 0.00 H new ATOM 0 HA GLU A 39 9.885 6.039 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.457 6.663 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.971 5.604 13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.239 6.968 15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.853 7.984 13.778 1.00 0.00 H new ATOM 594 N GLY A 40 8.885 3.420 14.357 1.00 0.00 N ATOM 595 CA GLY A 40 9.249 2.548 15.481 1.00 0.00 C ATOM 596 C GLY A 40 10.629 1.919 15.292 1.00 0.00 C ATOM 597 O GLY A 40 11.426 1.883 16.231 1.00 0.00 O ATOM 0 H GLY A 40 8.167 3.022 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.237 3.124 16.406 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.503 1.761 15.586 1.00 0.00 H new ATOM 601 N MET A 41 10.944 1.475 14.069 1.00 0.00 N ATOM 602 CA MET A 41 12.264 0.928 13.711 1.00 0.00 C ATOM 603 C MET A 41 13.362 1.982 13.869 1.00 0.00 C ATOM 604 O MET A 41 14.360 1.729 14.538 1.00 0.00 O ATOM 605 CB MET A 41 12.263 0.392 12.265 1.00 0.00 C ATOM 606 CG MET A 41 11.623 -0.994 12.130 1.00 0.00 C ATOM 607 SD MET A 41 9.846 -1.064 12.482 1.00 0.00 S ATOM 608 CE MET A 41 9.536 -2.692 11.784 1.00 0.00 C ATOM 0 H MET A 41 10.285 1.484 13.291 1.00 0.00 H new ATOM 0 HA MET A 41 12.471 0.104 14.394 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.729 1.095 11.625 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.290 0.347 11.901 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.790 -1.356 11.116 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.137 -1.681 12.802 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.486 -2.773 11.503 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.160 -2.835 10.902 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.773 -3.456 12.524 1.00 0.00 H new ATOM 618 N VAL A 42 13.169 3.167 13.285 1.00 0.00 N ATOM 619 CA VAL A 42 14.152 4.264 13.332 1.00 0.00 C ATOM 620 C VAL A 42 14.281 4.823 14.758 1.00 0.00 C ATOM 621 O VAL A 42 15.399 5.070 15.213 1.00 0.00 O ATOM 622 CB VAL A 42 13.810 5.388 12.324 1.00 0.00 C ATOM 623 CG1 VAL A 42 14.749 6.600 12.468 1.00 0.00 C ATOM 624 CG2 VAL A 42 13.919 4.870 10.878 1.00 0.00 C ATOM 0 H VAL A 42 12.324 3.399 12.763 1.00 0.00 H new ATOM 0 HA VAL A 42 15.116 3.850 13.038 1.00 0.00 H new ATOM 0 HB VAL A 42 12.789 5.700 12.544 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.472 7.363 11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.663 7.009 13.475 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.778 6.286 12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.675 5.674 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.936 4.525 10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.223 4.043 10.734 1.00 0.00 H new ATOM 634 N GLY A 43 13.166 4.979 15.489 1.00 0.00 N ATOM 635 CA GLY A 43 13.151 5.633 16.806 1.00 0.00 C ATOM 636 C GLY A 43 13.786 4.791 17.918 1.00 0.00 C ATOM 637 O GLY A 43 14.606 5.304 18.680 1.00 0.00 O ATOM 0 H GLY A 43 12.249 4.655 15.183 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.679 6.584 16.736 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.120 5.860 17.078 1.00 0.00 H new ATOM 641 N GLU A 44 13.451 3.501 18.004 1.00 0.00 N ATOM 642 CA GLU A 44 13.964 2.622 19.066 1.00 0.00 C ATOM 643 C GLU A 44 15.425 2.187 18.844 1.00 0.00 C ATOM 644 O GLU A 44 16.125 1.877 19.812 1.00 0.00 O ATOM 645 CB GLU A 44 13.041 1.406 19.244 1.00 0.00 C ATOM 646 CG GLU A 44 11.605 1.763 19.655 1.00 0.00 C ATOM 647 CD GLU A 44 11.530 2.579 20.961 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.969 2.085 22.024 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.027 3.728 20.936 1.00 0.00 O ATOM 0 H GLU A 44 12.823 3.037 17.348 1.00 0.00 H new ATOM 0 HA GLU A 44 13.965 3.206 19.986 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.011 0.846 18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.470 0.745 19.998 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.135 2.331 18.852 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.030 0.845 19.775 1.00 0.00 H new ATOM 656 N LEU A 45 15.909 2.201 17.596 1.00 0.00 N ATOM 657 CA LEU A 45 17.308 1.912 17.263 1.00 0.00 C ATOM 658 C LEU A 45 18.270 2.963 17.841 1.00 0.00 C ATOM 659 O LEU A 45 19.371 2.614 18.275 1.00 0.00 O ATOM 660 CB LEU A 45 17.418 1.811 15.734 1.00 0.00 C ATOM 661 CG LEU A 45 18.811 1.458 15.181 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.277 0.065 15.632 1.00 0.00 C ATOM 663 CD2 LEU A 45 18.740 1.508 13.650 1.00 0.00 C ATOM 0 H LEU A 45 15.334 2.416 16.781 1.00 0.00 H new ATOM 0 HA LEU A 45 17.605 0.967 17.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.710 1.059 15.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.108 2.763 15.303 1.00 0.00 H new ATOM 0 HG LEU A 45 19.534 2.177 15.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.264 -0.140 15.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.326 0.033 16.720 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.572 -0.687 15.278 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.716 1.261 13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.002 0.788 13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.452 2.510 13.332 1.00 0.00 H new ATOM 675 N ILE A 46 17.857 4.233 17.915 1.00 0.00 N ATOM 676 CA ILE A 46 18.667 5.336 18.480 1.00 0.00 C ATOM 677 C ILE A 46 19.033 5.047 19.937 1.00 0.00 C ATOM 678 O ILE A 46 20.191 5.219 20.323 1.00 0.00 O ATOM 679 CB ILE A 46 17.910 6.681 18.368 1.00 0.00 C ATOM 680 CG1 ILE A 46 17.696 7.044 16.888 1.00 0.00 C ATOM 681 CG2 ILE A 46 18.688 7.813 19.071 1.00 0.00 C ATOM 682 CD1 ILE A 46 16.605 8.092 16.690 1.00 0.00 C ATOM 0 H ILE A 46 16.941 4.535 17.582 1.00 0.00 H new ATOM 0 HA ILE A 46 19.589 5.411 17.903 1.00 0.00 H new ATOM 0 HB ILE A 46 16.943 6.567 18.859 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.632 7.416 16.471 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.435 6.144 16.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.135 8.747 18.978 1.00 0.00 H new ATOM 0 HG22 ILE A 46 18.812 7.569 20.126 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.668 7.924 18.607 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.498 8.309 15.627 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.661 7.712 17.080 1.00 0.00 H new ATOM 0 HD13 ILE A 46 16.876 9.004 17.221 1.00 0.00 H new ATOM 694 N ALA A 47 18.065 4.594 20.743 1.00 0.00 N ATOM 695 CA ALA A 47 18.274 4.269 22.149 1.00 0.00 C ATOM 696 C ALA A 47 19.311 3.149 22.329 1.00 0.00 C ATOM 697 O ALA A 47 20.184 3.256 23.192 1.00 0.00 O ATOM 698 CB ALA A 47 16.921 3.902 22.766 1.00 0.00 C ATOM 0 H ALA A 47 17.106 4.443 20.429 1.00 0.00 H new ATOM 0 HA ALA A 47 18.684 5.137 22.666 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.056 3.655 23.819 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.239 4.747 22.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.504 3.042 22.243 1.00 0.00 H new ATOM 704 N PHE A 48 19.255 2.113 21.479 1.00 0.00 N ATOM 705 CA PHE A 48 20.227 1.021 21.488 1.00 0.00 C ATOM 706 C PHE A 48 21.629 1.481 21.052 1.00 0.00 C ATOM 707 O PHE A 48 22.605 1.162 21.725 1.00 0.00 O ATOM 708 CB PHE A 48 19.701 -0.136 20.625 1.00 0.00 C ATOM 709 CG PHE A 48 20.644 -1.333 20.551 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.163 -1.905 21.735 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.002 -1.872 19.303 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.031 -3.008 21.662 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.874 -2.970 19.236 1.00 0.00 C ATOM 714 CZ PHE A 48 22.393 -3.538 20.411 1.00 0.00 C ATOM 0 H PHE A 48 18.532 2.013 20.767 1.00 0.00 H new ATOM 0 HA PHE A 48 20.343 0.668 22.513 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.742 -0.466 21.024 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.517 0.232 19.615 1.00 0.00 H new ATOM 0 HD1 PHE A 48 20.892 -1.494 22.696 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.606 -1.441 18.395 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.420 -3.449 22.568 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.147 -3.380 18.275 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.068 -4.379 20.354 1.00 0.00 H new ATOM 724 N CYS A 49 21.748 2.280 19.985 1.00 0.00 N ATOM 725 CA CYS A 49 23.026 2.867 19.558 1.00 0.00 C ATOM 726 C CYS A 49 23.641 3.784 20.634 1.00 0.00 C ATOM 727 O CYS A 49 24.857 3.739 20.856 1.00 0.00 O ATOM 728 CB CYS A 49 22.828 3.607 18.229 1.00 0.00 C ATOM 729 SG CYS A 49 22.407 2.419 16.923 1.00 0.00 S ATOM 0 H CYS A 49 20.960 2.539 19.391 1.00 0.00 H new ATOM 0 HA CYS A 49 23.742 2.058 19.412 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.035 4.348 18.329 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.737 4.147 17.963 1.00 0.00 H new ATOM 0 HG CYS A 49 21.147 2.109 17.008 1.00 0.00 H new ATOM 735 N THR A 50 22.802 4.553 21.341 1.00 0.00 N ATOM 736 CA THR A 50 23.197 5.428 22.461 1.00 0.00 C ATOM 737 C THR A 50 23.703 4.608 23.643 1.00 0.00 C ATOM 738 O THR A 50 24.781 4.888 24.162 1.00 0.00 O ATOM 739 CB THR A 50 22.035 6.341 22.879 1.00 0.00 C ATOM 740 OG1 THR A 50 21.646 7.136 21.775 1.00 0.00 O ATOM 741 CG2 THR A 50 22.424 7.299 24.007 1.00 0.00 C ATOM 0 H THR A 50 21.801 4.587 21.147 1.00 0.00 H new ATOM 0 HA THR A 50 24.016 6.062 22.121 1.00 0.00 H new ATOM 0 HB THR A 50 21.230 5.692 23.224 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.128 6.591 21.146 1.00 0.00 H new ATOM 0 HG21 THR A 50 21.568 7.923 24.266 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.733 6.726 24.881 1.00 0.00 H new ATOM 0 HG23 THR A 50 23.248 7.932 23.679 1.00 0.00 H new ATOM 749 N SER A 51 22.968 3.569 24.045 1.00 0.00 N ATOM 750 CA SER A 51 23.335 2.753 25.221 1.00 0.00 C ATOM 751 C SER A 51 24.556 1.841 24.988 1.00 0.00 C ATOM 752 O SER A 51 25.379 1.681 25.903 1.00 0.00 O ATOM 753 CB SER A 51 22.126 1.947 25.718 1.00 0.00 C ATOM 754 OG SER A 51 21.732 0.916 24.820 1.00 0.00 O ATOM 0 H SER A 51 22.113 3.267 23.578 1.00 0.00 H new ATOM 0 HA SER A 51 23.638 3.456 25.997 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.365 1.505 26.686 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.286 2.624 25.875 1.00 0.00 H new ATOM 0 HG SER A 51 22.063 1.121 23.921 1.00 0.00 H new ATOM 760 N THR A 52 24.717 1.283 23.775 1.00 0.00 N ATOM 761 CA THR A 52 25.890 0.469 23.404 1.00 0.00 C ATOM 762 C THR A 52 27.105 1.337 23.071 1.00 0.00 C ATOM 763 O THR A 52 28.242 0.911 23.274 1.00 0.00 O ATOM 764 CB THR A 52 25.523 -0.528 22.285 1.00 0.00 C ATOM 765 OG1 THR A 52 26.414 -1.614 22.367 1.00 0.00 O ATOM 766 CG2 THR A 52 25.577 0.053 20.870 1.00 0.00 C ATOM 0 H THR A 52 24.036 1.384 23.022 1.00 0.00 H new ATOM 0 HA THR A 52 26.189 -0.123 24.269 1.00 0.00 H new ATOM 0 HB THR A 52 24.485 -0.819 22.446 1.00 0.00 H new ATOM 0 HG1 THR A 52 26.201 -2.265 21.666 1.00 0.00 H new ATOM 0 HG21 THR A 52 25.304 -0.718 20.149 1.00 0.00 H new ATOM 0 HG22 THR A 52 24.878 0.886 20.792 1.00 0.00 H new ATOM 0 HG23 THR A 52 26.587 0.405 20.660 1.00 0.00 H new ATOM 774 N HIS A 53 26.883 2.573 22.619 1.00 0.00 N ATOM 775 CA HIS A 53 27.837 3.695 22.575 1.00 0.00 C ATOM 776 C HIS A 53 28.897 3.593 21.446 1.00 0.00 C ATOM 777 O HIS A 53 29.887 4.330 21.427 1.00 0.00 O ATOM 778 CB HIS A 53 28.432 3.923 23.983 1.00 0.00 C ATOM 779 CG HIS A 53 28.790 5.364 24.277 1.00 0.00 C ATOM 780 ND1 HIS A 53 29.813 6.084 23.706 1.00 0.00 N ATOM 781 CD2 HIS A 53 28.150 6.206 25.148 1.00 0.00 C ATOM 782 CE1 HIS A 53 29.796 7.327 24.214 1.00 0.00 C ATOM 783 NE2 HIS A 53 28.794 7.453 25.110 1.00 0.00 N ATOM 0 H HIS A 53 25.971 2.840 22.248 1.00 0.00 H new ATOM 0 HA HIS A 53 27.283 4.591 22.294 1.00 0.00 H new ATOM 0 HB2 HIS A 53 27.715 3.579 24.729 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.326 3.308 24.092 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.474 5.733 23.013 1.00 0.00 H new ATOM 0 HD2 HIS A 53 27.296 5.954 25.759 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.485 8.113 23.944 1.00 0.00 H new ATOM 791 N LYS A 54 28.717 2.685 20.475 1.00 0.00 N ATOM 792 CA LYS A 54 29.576 2.596 19.279 1.00 0.00 C ATOM 793 C LYS A 54 29.387 3.793 18.320 1.00 0.00 C ATOM 794 O LYS A 54 28.294 4.363 18.226 1.00 0.00 O ATOM 795 CB LYS A 54 29.340 1.249 18.556 1.00 0.00 C ATOM 796 CG LYS A 54 30.438 0.208 18.848 1.00 0.00 C ATOM 797 CD LYS A 54 30.524 -0.275 20.304 1.00 0.00 C ATOM 798 CE LYS A 54 29.318 -1.144 20.676 1.00 0.00 C ATOM 799 NZ LYS A 54 29.312 -1.493 22.118 1.00 0.00 N ATOM 0 H LYS A 54 27.971 1.990 20.495 1.00 0.00 H new ATOM 0 HA LYS A 54 30.612 2.639 19.614 1.00 0.00 H new ATOM 0 HB2 LYS A 54 28.374 0.845 18.859 1.00 0.00 H new ATOM 0 HB3 LYS A 54 29.289 1.424 17.481 1.00 0.00 H new ATOM 0 HG2 LYS A 54 30.273 -0.657 18.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 31.401 0.634 18.568 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.443 -0.844 20.447 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.575 0.585 20.972 1.00 0.00 H new ATOM 0 HE2 LYS A 54 28.398 -0.615 20.427 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.331 -2.057 20.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 28.360 -1.807 22.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 29.994 -2.259 22.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 29.578 -0.658 22.678 1.00 0.00 H new ATOM 813 N VAL A 55 30.437 4.140 17.566 1.00 0.00 N ATOM 814 CA VAL A 55 30.384 5.141 16.485 1.00 0.00 C ATOM 815 C VAL A 55 29.831 4.473 15.219 1.00 0.00 C ATOM 816 O VAL A 55 30.376 3.470 14.755 1.00 0.00 O ATOM 817 CB VAL A 55 31.762 5.791 16.216 1.00 0.00 C ATOM 818 CG1 VAL A 55 31.707 6.822 15.080 1.00 0.00 C ATOM 819 CG2 VAL A 55 32.300 6.488 17.477 1.00 0.00 C ATOM 0 H VAL A 55 31.363 3.729 17.689 1.00 0.00 H new ATOM 0 HA VAL A 55 29.723 5.951 16.795 1.00 0.00 H new ATOM 0 HB VAL A 55 32.427 4.978 15.923 1.00 0.00 H new ATOM 0 HG11 VAL A 55 32.698 7.250 14.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 31.379 6.335 14.162 1.00 0.00 H new ATOM 0 HG13 VAL A 55 31.005 7.614 15.341 1.00 0.00 H new ATOM 0 HG21 VAL A 55 33.270 6.936 17.259 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.603 7.266 17.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.410 5.757 18.278 1.00 0.00 H new ATOM 829 N GLY A 56 28.740 5.022 14.671 1.00 0.00 N ATOM 830 CA GLY A 56 28.028 4.472 13.508 1.00 0.00 C ATOM 831 C GLY A 56 27.273 3.177 13.823 1.00 0.00 C ATOM 832 O GLY A 56 27.000 2.868 14.986 1.00 0.00 O ATOM 0 H GLY A 56 28.318 5.878 15.030 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.323 5.215 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.743 4.283 12.708 1.00 0.00 H new ATOM 836 N LEU A 57 26.909 2.432 12.774 1.00 0.00 N ATOM 837 CA LEU A 57 26.183 1.157 12.858 1.00 0.00 C ATOM 838 C LEU A 57 26.883 0.044 12.064 1.00 0.00 C ATOM 839 O LEU A 57 27.650 0.317 11.139 1.00 0.00 O ATOM 840 CB LEU A 57 24.721 1.330 12.397 1.00 0.00 C ATOM 841 CG LEU A 57 23.865 2.217 13.329 1.00 0.00 C ATOM 842 CD1 LEU A 57 23.809 3.675 12.851 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.440 1.670 13.432 1.00 0.00 C ATOM 0 H LEU A 57 27.117 2.706 11.814 1.00 0.00 H new ATOM 0 HA LEU A 57 26.181 0.851 13.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.716 1.762 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.257 0.347 12.322 1.00 0.00 H new ATOM 0 HG LEU A 57 24.344 2.196 14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.196 4.260 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.817 4.088 12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.373 3.714 11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 57 21.852 2.308 14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 57 21.984 1.654 12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.467 0.658 13.835 1.00 0.00 H new ATOM 855 N THR A 58 26.585 -1.209 12.427 1.00 0.00 N ATOM 856 CA THR A 58 27.168 -2.443 11.874 1.00 0.00 C ATOM 857 C THR A 58 26.095 -3.499 11.660 1.00 0.00 C ATOM 858 O THR A 58 25.013 -3.432 12.243 1.00 0.00 O ATOM 859 CB THR A 58 28.253 -3.014 12.803 1.00 0.00 C ATOM 860 OG1 THR A 58 27.657 -3.410 14.020 1.00 0.00 O ATOM 861 CG2 THR A 58 29.372 -2.015 13.101 1.00 0.00 C ATOM 0 H THR A 58 25.895 -1.403 13.152 1.00 0.00 H new ATOM 0 HA THR A 58 27.620 -2.183 10.917 1.00 0.00 H new ATOM 0 HB THR A 58 28.704 -3.862 12.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.343 -3.777 14.616 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.106 -2.477 13.761 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.856 -1.722 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 28.953 -1.133 13.585 1.00 0.00 H new ATOM 869 N SER A 59 26.423 -4.530 10.889 1.00 0.00 N ATOM 870 CA SER A 59 25.570 -5.714 10.712 1.00 0.00 C ATOM 871 C SER A 59 25.240 -6.419 12.038 1.00 0.00 C ATOM 872 O SER A 59 24.172 -7.018 12.166 1.00 0.00 O ATOM 873 CB SER A 59 26.269 -6.716 9.775 1.00 0.00 C ATOM 874 OG SER A 59 26.690 -6.116 8.553 1.00 0.00 O ATOM 0 H SER A 59 27.295 -4.574 10.362 1.00 0.00 H new ATOM 0 HA SER A 59 24.630 -5.366 10.283 1.00 0.00 H new ATOM 0 HB2 SER A 59 27.134 -7.142 10.284 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.589 -7.540 9.557 1.00 0.00 H new ATOM 0 HG SER A 59 27.129 -6.789 7.992 1.00 0.00 H new ATOM 880 N GLU A 60 26.123 -6.326 13.042 1.00 0.00 N ATOM 881 CA GLU A 60 25.906 -6.862 14.391 1.00 0.00 C ATOM 882 C GLU A 60 24.907 -6.015 15.191 1.00 0.00 C ATOM 883 O GLU A 60 24.044 -6.575 15.871 1.00 0.00 O ATOM 884 CB GLU A 60 27.254 -6.969 15.117 1.00 0.00 C ATOM 885 CG GLU A 60 27.143 -7.696 16.465 1.00 0.00 C ATOM 886 CD GLU A 60 28.532 -7.922 17.078 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.020 -7.039 17.826 1.00 0.00 O ATOM 888 OE2 GLU A 60 29.145 -8.988 16.826 1.00 0.00 O ATOM 0 H GLU A 60 27.027 -5.866 12.936 1.00 0.00 H new ATOM 0 HA GLU A 60 25.466 -7.855 14.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.964 -7.497 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.655 -5.969 15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.529 -7.111 17.150 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.641 -8.654 16.327 1.00 0.00 H new ATOM 895 N ILE A 61 24.964 -4.679 15.087 1.00 0.00 N ATOM 896 CA ILE A 61 24.000 -3.773 15.734 1.00 0.00 C ATOM 897 C ILE A 61 22.599 -3.973 15.142 1.00 0.00 C ATOM 898 O ILE A 61 21.640 -4.134 15.896 1.00 0.00 O ATOM 899 CB ILE A 61 24.499 -2.306 15.674 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.721 -2.151 16.614 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.411 -1.285 16.058 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.514 -0.853 16.432 1.00 0.00 C ATOM 0 H ILE A 61 25.682 -4.193 14.550 1.00 0.00 H new ATOM 0 HA ILE A 61 23.923 -4.019 16.793 1.00 0.00 H new ATOM 0 HB ILE A 61 24.775 -2.094 14.641 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.376 -2.207 17.647 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.392 -2.995 16.456 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.820 -0.277 15.997 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.568 -1.376 15.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.073 -1.479 17.076 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.349 -0.835 17.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.895 -0.799 15.412 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.863 0.001 16.622 1.00 0.00 H new ATOM 914 N LEU A 62 22.481 -4.031 13.812 1.00 0.00 N ATOM 915 CA LEU A 62 21.192 -4.269 13.147 1.00 0.00 C ATOM 916 C LEU A 62 20.640 -5.688 13.395 1.00 0.00 C ATOM 917 O LEU A 62 19.420 -5.856 13.491 1.00 0.00 O ATOM 918 CB LEU A 62 21.299 -3.955 11.637 1.00 0.00 C ATOM 919 CG LEU A 62 21.104 -2.483 11.217 1.00 0.00 C ATOM 920 CD1 LEU A 62 19.762 -1.904 11.695 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.248 -1.566 11.666 1.00 0.00 C ATOM 0 H LEU A 62 23.265 -3.916 13.170 1.00 0.00 H new ATOM 0 HA LEU A 62 20.469 -3.587 13.594 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.280 -4.280 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 20.560 -4.559 11.111 1.00 0.00 H new ATOM 0 HG LEU A 62 21.104 -2.509 10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.678 -0.866 11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.943 -2.484 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.713 -1.950 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.047 -0.546 11.338 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.327 -1.589 12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.184 -1.910 11.227 1.00 0.00 H new ATOM 933 N ASN A 63 21.498 -6.698 13.557 1.00 0.00 N ATOM 934 CA ASN A 63 21.086 -8.037 13.990 1.00 0.00 C ATOM 935 C ASN A 63 20.573 -8.023 15.445 1.00 0.00 C ATOM 936 O ASN A 63 19.512 -8.564 15.749 1.00 0.00 O ATOM 937 CB ASN A 63 22.263 -9.008 13.802 1.00 0.00 C ATOM 938 CG ASN A 63 21.944 -10.415 14.302 1.00 0.00 C ATOM 939 OD1 ASN A 63 21.318 -11.213 13.616 1.00 0.00 O ATOM 940 ND2 ASN A 63 22.361 -10.761 15.509 1.00 0.00 N ATOM 0 H ASN A 63 22.501 -6.611 13.391 1.00 0.00 H new ATOM 0 HA ASN A 63 20.252 -8.377 13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.528 -9.052 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.134 -8.625 14.334 1.00 0.00 H new ATOM 0 HD21 ASN A 63 22.161 -11.694 15.870 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.882 -10.095 16.079 1.00 0.00 H new ATOM 947 N SER A 64 21.307 -7.370 16.354 1.00 0.00 N ATOM 948 CA SER A 64 20.961 -7.305 17.786 1.00 0.00 C ATOM 949 C SER A 64 19.669 -6.510 18.061 1.00 0.00 C ATOM 950 O SER A 64 18.920 -6.855 18.978 1.00 0.00 O ATOM 951 CB SER A 64 22.122 -6.686 18.581 1.00 0.00 C ATOM 952 OG SER A 64 23.308 -7.470 18.484 1.00 0.00 O ATOM 0 H SER A 64 22.163 -6.868 16.119 1.00 0.00 H new ATOM 0 HA SER A 64 20.783 -8.331 18.109 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.320 -5.680 18.211 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.835 -6.590 19.628 1.00 0.00 H new ATOM 0 HG SER A 64 23.738 -7.307 17.619 1.00 0.00 H new ATOM 958 N PHE A 65 19.356 -5.502 17.238 1.00 0.00 N ATOM 959 CA PHE A 65 18.142 -4.692 17.350 1.00 0.00 C ATOM 960 C PHE A 65 16.841 -5.518 17.285 1.00 0.00 C ATOM 961 O PHE A 65 15.873 -5.182 17.969 1.00 0.00 O ATOM 962 CB PHE A 65 18.167 -3.596 16.272 1.00 0.00 C ATOM 963 CG PHE A 65 16.937 -2.705 16.285 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.609 -1.974 17.449 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.095 -2.638 15.157 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.433 -1.201 17.488 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.929 -1.853 15.190 1.00 0.00 C ATOM 968 CZ PHE A 65 14.594 -1.141 16.357 1.00 0.00 C ATOM 0 H PHE A 65 19.954 -5.223 16.460 1.00 0.00 H new ATOM 0 HA PHE A 65 18.139 -4.238 18.341 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.054 -2.979 16.413 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.257 -4.064 15.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.261 -2.008 18.309 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.346 -3.191 14.264 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.174 -0.655 18.383 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.291 -1.796 14.321 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.692 -0.547 16.386 1.00 0.00 H new ATOM 978 N GLU A 66 16.832 -6.633 16.544 1.00 0.00 N ATOM 979 CA GLU A 66 15.695 -7.564 16.489 1.00 0.00 C ATOM 980 C GLU A 66 15.326 -8.087 17.887 1.00 0.00 C ATOM 981 O GLU A 66 14.151 -8.145 18.236 1.00 0.00 O ATOM 982 CB GLU A 66 15.993 -8.762 15.575 1.00 0.00 C ATOM 983 CG GLU A 66 16.232 -8.386 14.111 1.00 0.00 C ATOM 984 CD GLU A 66 16.393 -9.625 13.215 1.00 0.00 C ATOM 985 OE1 GLU A 66 17.147 -10.564 13.569 1.00 0.00 O ATOM 986 OE2 GLU A 66 15.791 -9.655 12.115 1.00 0.00 O ATOM 0 H GLU A 66 17.619 -6.918 15.961 1.00 0.00 H new ATOM 0 HA GLU A 66 14.855 -7.001 16.083 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.872 -9.284 15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.159 -9.462 15.628 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.397 -7.784 13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.126 -7.767 14.037 1.00 0.00 H new ATOM 993 N HIS A 67 16.323 -8.418 18.708 1.00 0.00 N ATOM 994 CA HIS A 67 16.139 -8.949 20.065 1.00 0.00 C ATOM 995 C HIS A 67 15.959 -7.832 21.126 1.00 0.00 C ATOM 996 O HIS A 67 15.599 -8.107 22.272 1.00 0.00 O ATOM 997 CB HIS A 67 17.364 -9.832 20.372 1.00 0.00 C ATOM 998 CG HIS A 67 17.151 -10.883 21.441 1.00 0.00 C ATOM 999 ND1 HIS A 67 16.534 -10.716 22.662 1.00 0.00 N ATOM 1000 CD2 HIS A 67 17.551 -12.192 21.380 1.00 0.00 C ATOM 1001 CE1 HIS A 67 16.547 -11.885 23.314 1.00 0.00 C ATOM 1002 NE2 HIS A 67 17.170 -12.827 22.576 1.00 0.00 N ATOM 0 H HIS A 67 17.304 -8.323 18.445 1.00 0.00 H new ATOM 0 HA HIS A 67 15.219 -9.531 20.112 1.00 0.00 H new ATOM 0 HB2 HIS A 67 17.672 -10.330 19.453 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.188 -9.188 20.678 1.00 0.00 H new ATOM 0 HD1 HIS A 67 16.134 -9.845 23.011 1.00 0.00 H new ATOM 0 HD2 HIS A 67 18.070 -12.657 20.555 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.120 -12.051 24.292 1.00 0.00 H new ATOM 1010 N GLU A 68 16.223 -6.570 20.769 1.00 0.00 N ATOM 1011 CA GLU A 68 16.220 -5.417 21.678 1.00 0.00 C ATOM 1012 C GLU A 68 14.887 -4.648 21.696 1.00 0.00 C ATOM 1013 O GLU A 68 14.620 -3.949 22.677 1.00 0.00 O ATOM 1014 CB GLU A 68 17.405 -4.512 21.289 1.00 0.00 C ATOM 1015 CG GLU A 68 17.594 -3.214 22.088 1.00 0.00 C ATOM 1016 CD GLU A 68 17.694 -3.384 23.616 1.00 0.00 C ATOM 1017 OE1 GLU A 68 17.991 -4.492 24.116 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.447 -2.394 24.344 1.00 0.00 O ATOM 0 H GLU A 68 16.452 -6.314 19.809 1.00 0.00 H new ATOM 0 HA GLU A 68 16.333 -5.776 22.701 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.320 -5.098 21.377 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.296 -4.247 20.237 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.499 -2.719 21.735 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.760 -2.548 21.868 1.00 0.00 H new ATOM 1025 N PHE A 69 14.025 -4.813 20.688 1.00 0.00 N ATOM 1026 CA PHE A 69 12.661 -4.280 20.718 1.00 0.00 C ATOM 1027 C PHE A 69 11.649 -5.146 19.963 1.00 0.00 C ATOM 1028 O PHE A 69 10.606 -5.467 20.531 1.00 0.00 O ATOM 1029 CB PHE A 69 12.635 -2.837 20.188 1.00 0.00 C ATOM 1030 CG PHE A 69 11.313 -2.137 20.458 1.00 0.00 C ATOM 1031 CD1 PHE A 69 11.082 -1.549 21.717 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.304 -2.106 19.475 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.851 -0.925 21.996 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.067 -1.496 19.763 1.00 0.00 C ATOM 1035 CZ PHE A 69 8.838 -0.903 21.019 1.00 0.00 C ATOM 0 H PHE A 69 14.253 -5.318 19.832 1.00 0.00 H new ATOM 0 HA PHE A 69 12.352 -4.291 21.763 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.443 -2.270 20.650 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.825 -2.845 19.115 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.853 -1.577 22.472 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.478 -2.548 18.505 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.684 -0.464 22.958 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.289 -1.483 19.014 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.889 -0.433 21.232 1.00 0.00 H new ATOM 1045 N LEU A 70 11.931 -5.536 18.712 1.00 0.00 N ATOM 1046 CA LEU A 70 10.951 -6.186 17.832 1.00 0.00 C ATOM 1047 C LEU A 70 10.501 -7.549 18.372 1.00 0.00 C ATOM 1048 O LEU A 70 9.353 -7.694 18.799 1.00 0.00 O ATOM 1049 CB LEU A 70 11.514 -6.271 16.393 1.00 0.00 C ATOM 1050 CG LEU A 70 11.311 -5.037 15.489 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.823 -4.672 15.346 1.00 0.00 C ATOM 1052 CD2 LEU A 70 12.135 -3.822 15.946 1.00 0.00 C ATOM 0 H LEU A 70 12.847 -5.409 18.282 1.00 0.00 H new ATOM 0 HA LEU A 70 10.050 -5.574 17.806 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.583 -6.471 16.459 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.059 -7.130 15.901 1.00 0.00 H new ATOM 0 HG LEU A 70 11.684 -5.321 14.505 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.723 -3.798 14.702 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.283 -5.511 14.906 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.407 -4.448 16.328 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.952 -2.984 15.273 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.843 -3.544 16.959 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.195 -4.075 15.931 1.00 0.00 H new ATOM 1064 N SER A 71 11.391 -8.532 18.431 1.00 0.00 N ATOM 1065 CA SER A 71 11.120 -9.845 19.036 1.00 0.00 C ATOM 1066 C SER A 71 11.057 -9.791 20.577 1.00 0.00 C ATOM 1067 O SER A 71 10.523 -10.711 21.198 1.00 0.00 O ATOM 1068 CB SER A 71 12.183 -10.867 18.607 1.00 0.00 C ATOM 1069 OG SER A 71 12.183 -11.054 17.195 1.00 0.00 O ATOM 0 H SER A 71 12.336 -8.446 18.057 1.00 0.00 H new ATOM 0 HA SER A 71 10.139 -10.153 18.674 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.167 -10.529 18.931 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.995 -11.820 19.102 1.00 0.00 H new ATOM 0 HG SER A 71 12.871 -11.708 16.952 1.00 0.00 H new ATOM 1075 N LYS A 72 11.554 -8.719 21.208 1.00 0.00 N ATOM 1076 CA LYS A 72 11.394 -8.510 22.654 1.00 0.00 C ATOM 1077 C LYS A 72 9.902 -8.343 23.011 1.00 0.00 C ATOM 1078 O LYS A 72 9.363 -9.126 23.799 1.00 0.00 O ATOM 1079 CB LYS A 72 12.246 -7.302 23.101 1.00 0.00 C ATOM 1080 CG LYS A 72 12.453 -7.295 24.624 1.00 0.00 C ATOM 1081 CD LYS A 72 13.180 -6.041 25.132 1.00 0.00 C ATOM 1082 CE LYS A 72 14.694 -6.173 24.951 1.00 0.00 C ATOM 1083 NZ LYS A 72 15.391 -4.905 25.278 1.00 0.00 N ATOM 0 H LYS A 72 12.073 -7.979 20.737 1.00 0.00 H new ATOM 0 HA LYS A 72 11.752 -9.385 23.196 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.214 -7.333 22.601 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.758 -6.377 22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.483 -7.369 25.116 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.024 -8.178 24.910 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.821 -5.165 24.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.949 -5.884 26.185 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.070 -6.972 25.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.916 -6.457 23.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.415 -5.028 25.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.049 -4.149 24.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.198 -4.648 26.267 1.00 0.00 H new