USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 43 ASN : amide:sc= 1.18! C(o=2.4!,f=-13!) USER MOD Set 1.2: A 46 SER OG : rot 85:sc= 1.23 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 8 TYR OH : rot 160:sc= -1.13! USER MOD Single : A 13 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 15 TYR OH : rot 120:sc= -2.13 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00228 X(o=-0.0023,f=-0.0023) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0472) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.73! C(o=-3!,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -144:sc= -0.616 (180deg=-3.11!) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00175 F(o=-0.74,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 13.162 1.925 3.950 1.00 0.00 N ATOM 83 CA SER A 7 14.234 1.729 2.932 1.00 0.00 C ATOM 84 C SER A 7 13.931 0.497 2.074 1.00 0.00 C ATOM 85 O SER A 7 13.717 -0.586 2.580 1.00 0.00 O ATOM 86 CB SER A 7 15.511 1.519 3.743 1.00 0.00 C ATOM 87 OG SER A 7 16.447 0.781 2.970 1.00 0.00 O ATOM 0 HA SER A 7 14.318 2.575 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.936 2.481 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.285 0.986 4.666 1.00 0.00 H new ATOM 0 HG SER A 7 17.267 0.647 3.489 1.00 0.00 H new ATOM 93 N TYR A 8 13.912 0.656 0.779 1.00 0.00 N ATOM 94 CA TYR A 8 13.622 -0.506 -0.110 1.00 0.00 C ATOM 95 C TYR A 8 14.402 -1.740 0.355 1.00 0.00 C ATOM 96 O TYR A 8 13.830 -2.778 0.625 1.00 0.00 O ATOM 97 CB TYR A 8 14.089 -0.065 -1.499 1.00 0.00 C ATOM 98 CG TYR A 8 13.363 1.200 -1.890 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.979 1.297 -1.704 1.00 0.00 C ATOM 100 CD2 TYR A 8 14.074 2.276 -2.435 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.305 2.470 -2.064 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.400 3.449 -2.795 1.00 0.00 C ATOM 103 CZ TYR A 8 12.016 3.547 -2.609 1.00 0.00 C ATOM 104 OH TYR A 8 11.350 4.703 -2.963 1.00 0.00 O ATOM 0 H TYR A 8 14.084 1.539 0.298 1.00 0.00 H new ATOM 0 HA TYR A 8 12.567 -0.780 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.166 0.106 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.893 -0.851 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.431 0.467 -1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.142 2.201 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.237 2.545 -1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.948 4.279 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 8 11.988 5.444 -3.018 1.00 0.00 H new ATOM 114 N ALA A 9 15.700 -1.634 0.450 1.00 0.00 N ATOM 115 CA ALA A 9 16.513 -2.802 0.899 1.00 0.00 C ATOM 116 C ALA A 9 15.817 -3.515 2.061 1.00 0.00 C ATOM 117 O ALA A 9 15.924 -4.715 2.222 1.00 0.00 O ATOM 118 CB ALA A 9 17.845 -2.206 1.356 1.00 0.00 C ATOM 0 H ALA A 9 16.232 -0.791 0.237 1.00 0.00 H new ATOM 0 HA ALA A 9 16.647 -3.540 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.501 -3.004 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.316 -1.685 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.669 -1.503 2.170 1.00 0.00 H new ATOM 124 N GLU A 10 15.098 -2.785 2.868 1.00 0.00 N ATOM 125 CA GLU A 10 14.387 -3.418 4.015 1.00 0.00 C ATOM 126 C GLU A 10 12.947 -3.742 3.612 1.00 0.00 C ATOM 127 O GLU A 10 12.354 -4.689 4.089 1.00 0.00 O ATOM 128 CB GLU A 10 14.412 -2.370 5.128 1.00 0.00 C ATOM 129 CG GLU A 10 15.841 -1.853 5.310 1.00 0.00 C ATOM 130 CD GLU A 10 15.926 -1.034 6.599 1.00 0.00 C ATOM 131 OE1 GLU A 10 14.906 -0.509 7.012 1.00 0.00 O ATOM 132 OE2 GLU A 10 17.011 -0.945 7.150 1.00 0.00 O ATOM 0 H GLU A 10 14.972 -1.776 2.783 1.00 0.00 H new ATOM 0 HA GLU A 10 14.852 -4.351 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.744 -1.545 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.050 -2.805 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.539 -2.689 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.129 -1.239 4.457 1.00 0.00 H new ATOM 139 N LEU A 11 12.386 -2.966 2.726 1.00 0.00 N ATOM 140 CA LEU A 11 10.991 -3.231 2.277 1.00 0.00 C ATOM 141 C LEU A 11 10.965 -4.476 1.395 1.00 0.00 C ATOM 142 O LEU A 11 10.291 -5.444 1.685 1.00 0.00 O ATOM 143 CB LEU A 11 10.587 -1.993 1.475 1.00 0.00 C ATOM 144 CG LEU A 11 9.067 -1.964 1.311 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.441 -1.238 2.502 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.707 -1.231 0.018 1.00 0.00 C ATOM 0 H LEU A 11 12.835 -2.159 2.293 1.00 0.00 H new ATOM 0 HA LEU A 11 10.310 -3.409 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.926 -1.091 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.069 -2.007 0.497 1.00 0.00 H new ATOM 0 HG LEU A 11 8.686 -2.984 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.357 -1.217 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.697 -1.762 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.821 -0.217 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.623 -1.210 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.087 -0.210 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.154 -1.749 -0.831 1.00 0.00 H new ATOM 158 N CYS A 12 11.706 -4.460 0.325 1.00 0.00 N ATOM 159 CA CYS A 12 11.740 -5.646 -0.575 1.00 0.00 C ATOM 160 C CYS A 12 12.389 -6.824 0.155 1.00 0.00 C ATOM 161 O CYS A 12 12.362 -7.946 -0.310 1.00 0.00 O ATOM 162 CB CYS A 12 12.588 -5.216 -1.771 1.00 0.00 C ATOM 163 SG CYS A 12 11.531 -4.412 -3.001 1.00 0.00 S ATOM 0 H CYS A 12 12.291 -3.677 0.033 1.00 0.00 H new ATOM 0 HA CYS A 12 10.745 -5.966 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.373 -4.532 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.082 -6.082 -2.211 1.00 0.00 H new ATOM 168 N ASN A 13 12.966 -6.570 1.298 1.00 0.00 N ATOM 169 CA ASN A 13 13.616 -7.664 2.076 1.00 0.00 C ATOM 170 C ASN A 13 12.760 -8.928 2.020 1.00 0.00 C ATOM 171 O ASN A 13 13.227 -9.994 1.673 1.00 0.00 O ATOM 172 CB ASN A 13 13.681 -7.128 3.505 1.00 0.00 C ATOM 173 CG ASN A 13 14.453 -8.111 4.387 1.00 0.00 C ATOM 174 OD1 ASN A 13 14.943 -9.117 3.913 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.583 -7.861 5.662 1.00 0.00 N ATOM 0 H ASN A 13 13.015 -5.647 1.729 1.00 0.00 H new ATOM 0 HA ASN A 13 14.599 -7.929 1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.168 -6.153 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.674 -6.986 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.096 -8.510 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.172 -7.017 6.061 1.00 0.00 H new ATOM 182 N GLU A 14 11.510 -8.811 2.358 1.00 0.00 N ATOM 183 CA GLU A 14 10.615 -10.003 2.324 1.00 0.00 C ATOM 184 C GLU A 14 10.810 -10.778 1.017 1.00 0.00 C ATOM 185 O GLU A 14 10.674 -11.984 0.974 1.00 0.00 O ATOM 186 CB GLU A 14 9.198 -9.438 2.409 1.00 0.00 C ATOM 187 CG GLU A 14 8.191 -10.590 2.417 1.00 0.00 C ATOM 188 CD GLU A 14 6.786 -10.036 2.664 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.631 -8.827 2.622 1.00 0.00 O ATOM 190 OE2 GLU A 14 5.889 -10.831 2.891 1.00 0.00 O ATOM 0 H GLU A 14 11.066 -7.943 2.657 1.00 0.00 H new ATOM 0 HA GLU A 14 10.825 -10.699 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.088 -8.838 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.006 -8.779 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.222 -11.121 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.452 -11.310 3.193 1.00 0.00 H new ATOM 197 N TYR A 15 11.134 -10.096 -0.051 1.00 0.00 N ATOM 198 CA TYR A 15 11.342 -10.802 -1.347 1.00 0.00 C ATOM 199 C TYR A 15 12.799 -11.252 -1.459 1.00 0.00 C ATOM 200 O TYR A 15 13.156 -12.031 -2.321 1.00 0.00 O ATOM 201 CB TYR A 15 11.008 -9.772 -2.427 1.00 0.00 C ATOM 202 CG TYR A 15 9.553 -9.384 -2.325 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.554 -10.296 -2.684 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.206 -8.111 -1.867 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.206 -9.931 -2.584 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.859 -7.745 -1.769 1.00 0.00 C ATOM 207 CZ TYR A 15 6.859 -8.655 -2.128 1.00 0.00 C ATOM 208 OH TYR A 15 5.530 -8.294 -2.029 1.00 0.00 O ATOM 0 H TYR A 15 11.263 -9.085 -0.080 1.00 0.00 H new ATOM 0 HA TYR A 15 10.721 -11.693 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.639 -8.891 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.216 -10.185 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.823 -11.280 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.978 -7.409 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.434 -10.635 -2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.591 -6.760 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 15 5.321 -8.066 -1.099 1.00 0.00 H new ATOM 218 N ARG A 16 13.641 -10.776 -0.586 1.00 0.00 N ATOM 219 CA ARG A 16 15.072 -11.182 -0.626 1.00 0.00 C ATOM 220 C ARG A 16 15.176 -12.706 -0.591 1.00 0.00 C ATOM 221 O ARG A 16 16.072 -13.295 -1.162 1.00 0.00 O ATOM 222 CB ARG A 16 15.681 -10.579 0.636 1.00 0.00 C ATOM 223 CG ARG A 16 17.150 -10.249 0.389 1.00 0.00 C ATOM 224 CD ARG A 16 17.620 -9.266 1.458 1.00 0.00 C ATOM 225 NE ARG A 16 16.975 -7.973 1.091 1.00 0.00 N ATOM 226 CZ ARG A 16 17.553 -6.845 1.401 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.193 -6.729 2.533 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.491 -5.832 0.580 1.00 0.00 N ATOM 0 H ARG A 16 13.398 -10.120 0.157 1.00 0.00 H new ATOM 0 HA ARG A 16 15.581 -10.843 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.138 -9.677 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.590 -11.279 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.751 -11.157 0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 16 17.278 -9.817 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.319 -9.590 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.706 -9.179 1.466 1.00 0.00 H new ATOM 0 HE ARG A 16 16.082 -7.970 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.241 -7.520 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.645 -5.847 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.991 -5.922 -0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.943 -4.950 0.823 1.00 0.00 H new ATOM 242 N LYS A 17 14.252 -13.347 0.069 1.00 0.00 N ATOM 243 CA LYS A 17 14.275 -14.834 0.138 1.00 0.00 C ATOM 244 C LYS A 17 13.739 -15.414 -1.172 1.00 0.00 C ATOM 245 O LYS A 17 13.607 -16.611 -1.329 1.00 0.00 O ATOM 246 CB LYS A 17 13.348 -15.200 1.303 1.00 0.00 C ATOM 247 CG LYS A 17 13.559 -14.226 2.466 1.00 0.00 C ATOM 248 CD LYS A 17 13.000 -14.838 3.751 1.00 0.00 C ATOM 249 CE LYS A 17 11.520 -14.476 3.887 1.00 0.00 C ATOM 250 NZ LYS A 17 10.895 -15.660 4.541 1.00 0.00 N ATOM 0 H LYS A 17 13.479 -12.903 0.565 1.00 0.00 H new ATOM 0 HA LYS A 17 15.280 -15.229 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.309 -15.169 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.548 -16.220 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.621 -14.010 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.063 -13.279 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.120 -15.921 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.556 -14.470 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.387 -13.576 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.070 -14.279 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.877 -15.489 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.032 -16.500 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.339 -15.819 5.468 1.00 0.00 H new ATOM 264 N LEU A 18 13.422 -14.564 -2.112 1.00 0.00 N ATOM 265 CA LEU A 18 12.886 -15.047 -3.412 1.00 0.00 C ATOM 266 C LEU A 18 13.902 -14.785 -4.528 1.00 0.00 C ATOM 267 O LEU A 18 13.895 -15.437 -5.554 1.00 0.00 O ATOM 268 CB LEU A 18 11.613 -14.228 -3.628 1.00 0.00 C ATOM 269 CG LEU A 18 10.576 -14.608 -2.565 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.960 -13.992 -1.220 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.202 -14.084 -2.986 1.00 0.00 C ATOM 0 H LEU A 18 13.513 -13.551 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 18 12.687 -16.119 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.838 -13.163 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.213 -14.414 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 18 10.544 -15.693 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.219 -14.266 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.939 -14.363 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.997 -12.907 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.463 -14.353 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.241 -12.999 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.922 -14.526 -3.942 1.00 0.00 H new ATOM 283 N VAL A 19 14.786 -13.843 -4.333 1.00 0.00 N ATOM 284 CA VAL A 19 15.811 -13.554 -5.380 1.00 0.00 C ATOM 285 C VAL A 19 17.191 -14.010 -4.895 1.00 0.00 C ATOM 286 O VAL A 19 17.817 -13.366 -4.076 1.00 0.00 O ATOM 287 CB VAL A 19 15.781 -12.033 -5.599 1.00 0.00 C ATOM 288 CG1 VAL A 19 15.581 -11.309 -4.266 1.00 0.00 C ATOM 289 CG2 VAL A 19 17.099 -11.574 -6.231 1.00 0.00 C ATOM 0 H VAL A 19 14.843 -13.262 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 19 15.604 -14.084 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 19 14.952 -11.793 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.562 -10.233 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.637 -11.623 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.401 -11.555 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.073 -10.495 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.927 -11.826 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.236 -12.073 -7.190 1.00 0.00 H new ATOM 299 N ARG A 20 17.666 -15.119 -5.390 1.00 0.00 N ATOM 300 CA ARG A 20 19.000 -15.621 -4.954 1.00 0.00 C ATOM 301 C ARG A 20 20.119 -14.881 -5.690 1.00 0.00 C ATOM 302 O ARG A 20 20.837 -14.088 -5.114 1.00 0.00 O ATOM 303 CB ARG A 20 19.006 -17.107 -5.318 1.00 0.00 C ATOM 304 CG ARG A 20 17.702 -17.752 -4.844 1.00 0.00 C ATOM 305 CD ARG A 20 17.453 -17.379 -3.381 1.00 0.00 C ATOM 306 NE ARG A 20 16.229 -18.138 -2.999 1.00 0.00 N ATOM 307 CZ ARG A 20 16.335 -19.250 -2.324 1.00 0.00 C ATOM 308 NH1 ARG A 20 16.054 -19.270 -1.050 1.00 0.00 N ATOM 309 NH2 ARG A 20 16.722 -20.343 -2.924 1.00 0.00 N ATOM 0 H ARG A 20 17.188 -15.700 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 20 19.168 -15.462 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.114 -17.228 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.859 -17.603 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.871 -17.415 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.760 -18.835 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.301 -17.653 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.305 -16.305 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 20 15.308 -17.789 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.751 -18.416 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.137 -20.139 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.941 -20.328 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.805 -21.212 -2.397 1.00 0.00 H new ATOM 323 N ASN A 21 20.274 -15.136 -6.957 1.00 0.00 N ATOM 324 CA ASN A 21 21.350 -14.451 -7.730 1.00 0.00 C ATOM 325 C ASN A 21 20.750 -13.662 -8.897 1.00 0.00 C ATOM 326 O ASN A 21 20.919 -14.013 -10.048 1.00 0.00 O ATOM 327 CB ASN A 21 22.243 -15.578 -8.247 1.00 0.00 C ATOM 328 CG ASN A 21 22.743 -16.413 -7.068 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.645 -16.010 -6.360 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.192 -17.570 -6.825 1.00 0.00 N ATOM 0 H ASN A 21 19.703 -15.789 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 21 21.904 -13.737 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.687 -16.207 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.088 -15.164 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.518 -18.136 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.435 -17.909 -7.419 1.00 0.00 H new ATOM 337 N GLY A 22 20.054 -12.597 -8.610 1.00 0.00 N ATOM 338 CA GLY A 22 19.448 -11.786 -9.704 1.00 0.00 C ATOM 339 C GLY A 22 18.204 -12.495 -10.242 1.00 0.00 C ATOM 340 O GLY A 22 17.758 -12.235 -11.341 1.00 0.00 O ATOM 0 H GLY A 22 19.878 -12.253 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.182 -10.797 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.172 -11.641 -10.506 1.00 0.00 H new ATOM 344 N LYS A 23 17.639 -13.389 -9.476 1.00 0.00 N ATOM 345 CA LYS A 23 16.423 -14.110 -9.949 1.00 0.00 C ATOM 346 C LYS A 23 15.341 -14.082 -8.868 1.00 0.00 C ATOM 347 O LYS A 23 15.191 -15.014 -8.103 1.00 0.00 O ATOM 348 CB LYS A 23 16.887 -15.543 -10.211 1.00 0.00 C ATOM 349 CG LYS A 23 17.649 -16.066 -8.992 1.00 0.00 C ATOM 350 CD LYS A 23 18.213 -17.455 -9.299 1.00 0.00 C ATOM 351 CE LYS A 23 17.984 -18.375 -8.099 1.00 0.00 C ATOM 352 NZ LYS A 23 17.352 -19.597 -8.671 1.00 0.00 N ATOM 0 H LYS A 23 17.966 -13.650 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 23 15.992 -13.655 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.028 -16.182 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.527 -15.573 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.458 -15.382 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.986 -16.114 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.730 -17.868 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.278 -17.386 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.922 -18.613 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.337 -17.905 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.163 -20.279 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.458 -19.340 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.994 -20.026 -9.368 1.00 0.00 H new ATOM 366 N LEU A 24 14.582 -13.021 -8.801 1.00 0.00 N ATOM 367 CA LEU A 24 13.509 -12.931 -7.769 1.00 0.00 C ATOM 368 C LEU A 24 12.290 -13.746 -8.212 1.00 0.00 C ATOM 369 O LEU A 24 11.844 -13.651 -9.338 1.00 0.00 O ATOM 370 CB LEU A 24 13.154 -11.441 -7.693 1.00 0.00 C ATOM 371 CG LEU A 24 12.681 -11.069 -6.278 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.804 -9.821 -6.348 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.865 -12.211 -5.675 1.00 0.00 C ATOM 0 H LEU A 24 14.659 -12.212 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 24 13.828 -13.324 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.023 -10.840 -7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.372 -11.211 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 24 13.555 -10.881 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.468 -9.556 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.379 -8.996 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.939 -10.019 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.537 -11.934 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.994 -12.406 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.481 -13.109 -5.620 1.00 0.00 H new ATOM 385 N ALA A 25 11.750 -14.549 -7.336 1.00 0.00 N ATOM 386 CA ALA A 25 10.564 -15.371 -7.713 1.00 0.00 C ATOM 387 C ALA A 25 9.348 -14.972 -6.873 1.00 0.00 C ATOM 388 O ALA A 25 9.441 -14.790 -5.675 1.00 0.00 O ATOM 389 CB ALA A 25 10.971 -16.813 -7.414 1.00 0.00 C ATOM 0 H ALA A 25 12.077 -14.672 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 25 10.284 -15.233 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.149 -17.483 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.847 -17.075 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.208 -16.912 -6.355 1.00 0.00 H new ATOM 395 N CYS A 26 8.207 -14.838 -7.491 1.00 0.00 N ATOM 396 CA CYS A 26 6.984 -14.455 -6.730 1.00 0.00 C ATOM 397 C CYS A 26 5.739 -15.029 -7.413 1.00 0.00 C ATOM 398 O CYS A 26 5.834 -15.802 -8.346 1.00 0.00 O ATOM 399 CB CYS A 26 6.958 -12.926 -6.760 1.00 0.00 C ATOM 400 SG CYS A 26 6.727 -12.296 -5.078 1.00 0.00 S ATOM 0 H CYS A 26 8.068 -14.977 -8.492 1.00 0.00 H new ATOM 0 HA CYS A 26 6.994 -14.839 -5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.889 -12.544 -7.179 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.151 -12.577 -7.405 1.00 0.00 H new ATOM 405 N THR A 27 4.575 -14.659 -6.958 1.00 0.00 N ATOM 406 CA THR A 27 3.328 -15.186 -7.583 1.00 0.00 C ATOM 407 C THR A 27 2.662 -14.100 -8.433 1.00 0.00 C ATOM 408 O THR A 27 3.142 -12.988 -8.525 1.00 0.00 O ATOM 409 CB THR A 27 2.429 -15.578 -6.409 1.00 0.00 C ATOM 410 OG1 THR A 27 2.471 -14.557 -5.422 1.00 0.00 O ATOM 411 CG2 THR A 27 2.920 -16.895 -5.807 1.00 0.00 C ATOM 0 H THR A 27 4.432 -14.015 -6.180 1.00 0.00 H new ATOM 0 HA THR A 27 3.523 -16.030 -8.244 1.00 0.00 H new ATOM 0 HB THR A 27 1.404 -15.702 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.894 -14.805 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.279 -17.174 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.887 -17.677 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.944 -16.774 -5.455 1.00 0.00 H new ATOM 419 N ARG A 28 1.558 -14.415 -9.055 1.00 0.00 N ATOM 420 CA ARG A 28 0.862 -13.401 -9.900 1.00 0.00 C ATOM 421 C ARG A 28 -0.071 -12.546 -9.037 1.00 0.00 C ATOM 422 O ARG A 28 -1.255 -12.449 -9.295 1.00 0.00 O ATOM 423 CB ARG A 28 0.058 -14.216 -10.914 1.00 0.00 C ATOM 424 CG ARG A 28 1.006 -15.118 -11.708 1.00 0.00 C ATOM 425 CD ARG A 28 0.197 -15.963 -12.694 1.00 0.00 C ATOM 426 NE ARG A 28 1.195 -16.869 -13.328 1.00 0.00 N ATOM 427 CZ ARG A 28 0.802 -17.968 -13.910 1.00 0.00 C ATOM 428 NH1 ARG A 28 0.610 -17.991 -15.201 1.00 0.00 N ATOM 429 NH2 ARG A 28 0.600 -19.046 -13.202 1.00 0.00 N ATOM 0 H ARG A 28 1.108 -15.329 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 28 1.559 -12.719 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.691 -14.819 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.478 -13.549 -11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.737 -14.513 -12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.564 -15.764 -11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.582 -16.529 -12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.298 -15.338 -13.437 1.00 0.00 H new ATOM 0 HE ARG A 28 2.186 -16.630 -13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.767 -17.149 -15.755 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.303 -18.851 -15.656 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.750 -19.029 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.293 -19.905 -13.658 1.00 0.00 H new ATOM 443 N GLU A 29 0.453 -11.924 -8.017 1.00 0.00 N ATOM 444 CA GLU A 29 -0.405 -11.076 -7.141 1.00 0.00 C ATOM 445 C GLU A 29 -1.057 -9.959 -7.960 1.00 0.00 C ATOM 446 O GLU A 29 -0.442 -9.375 -8.831 1.00 0.00 O ATOM 447 CB GLU A 29 0.549 -10.490 -6.099 1.00 0.00 C ATOM 448 CG GLU A 29 -0.255 -9.726 -5.045 1.00 0.00 C ATOM 449 CD GLU A 29 -1.001 -10.719 -4.152 1.00 0.00 C ATOM 450 OE1 GLU A 29 -0.569 -11.857 -4.076 1.00 0.00 O ATOM 451 OE2 GLU A 29 -1.991 -10.324 -3.559 1.00 0.00 O ATOM 0 H GLU A 29 1.437 -11.966 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.213 -11.644 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.123 -11.287 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.265 -9.823 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.411 -9.108 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.963 -9.054 -5.529 1.00 0.00 H new ATOM 458 N ASN A 30 -2.297 -9.658 -7.689 1.00 0.00 N ATOM 459 CA ASN A 30 -2.986 -8.579 -8.453 1.00 0.00 C ATOM 460 C ASN A 30 -2.966 -7.270 -7.659 1.00 0.00 C ATOM 461 O ASN A 30 -3.994 -6.682 -7.388 1.00 0.00 O ATOM 462 CB ASN A 30 -4.421 -9.076 -8.632 1.00 0.00 C ATOM 463 CG ASN A 30 -4.410 -10.404 -9.390 1.00 0.00 C ATOM 464 OD1 ASN A 30 -3.828 -10.506 -10.452 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.033 -11.433 -8.886 1.00 0.00 N ATOM 0 H ASN A 30 -2.863 -10.112 -6.972 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.502 -8.376 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.897 -9.204 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.007 -8.338 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.032 -12.324 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.521 -11.347 -7.995 1.00 0.00 H new ATOM 472 N ASP A 31 -1.804 -6.810 -7.283 1.00 0.00 N ATOM 473 CA ASP A 31 -1.719 -5.539 -6.508 1.00 0.00 C ATOM 474 C ASP A 31 -0.707 -4.588 -7.159 1.00 0.00 C ATOM 475 O ASP A 31 0.415 -4.478 -6.705 1.00 0.00 O ATOM 476 CB ASP A 31 -1.246 -5.956 -5.115 1.00 0.00 C ATOM 477 CG ASP A 31 -2.437 -6.477 -4.307 1.00 0.00 C ATOM 478 OD1 ASP A 31 -3.538 -6.454 -4.830 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.226 -6.890 -3.178 1.00 0.00 O ATOM 0 H ASP A 31 -0.909 -7.259 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.672 -5.011 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.481 -6.729 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.790 -5.108 -4.605 1.00 0.00 H new ATOM 484 N PRO A 32 -1.135 -3.931 -8.208 1.00 0.00 N ATOM 485 CA PRO A 32 -0.255 -2.983 -8.929 1.00 0.00 C ATOM 486 C PRO A 32 0.141 -1.816 -8.022 1.00 0.00 C ATOM 487 O PRO A 32 -0.656 -1.315 -7.253 1.00 0.00 O ATOM 488 CB PRO A 32 -1.144 -2.504 -10.080 1.00 0.00 C ATOM 489 CG PRO A 32 -2.513 -3.202 -9.971 1.00 0.00 C ATOM 490 CD PRO A 32 -2.513 -4.100 -8.728 1.00 0.00 C ATOM 0 HA PRO A 32 0.682 -3.428 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.267 -1.422 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.678 -2.734 -11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.310 -2.461 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.706 -3.795 -10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.262 -3.786 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.727 -5.139 -8.978 1.00 0.00 H new ATOM 498 N ILE A 33 1.364 -1.380 -8.113 1.00 0.00 N ATOM 499 CA ILE A 33 1.818 -0.240 -7.262 1.00 0.00 C ATOM 500 C ILE A 33 2.874 0.581 -8.008 1.00 0.00 C ATOM 501 O ILE A 33 3.064 0.433 -9.198 1.00 0.00 O ATOM 502 CB ILE A 33 2.410 -0.876 -5.993 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.850 -1.333 -6.251 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.562 -2.081 -5.574 1.00 0.00 C ATOM 505 CD1 ILE A 33 3.882 -2.258 -7.468 1.00 0.00 C ATOM 0 H ILE A 33 2.072 -1.762 -8.740 1.00 0.00 H new ATOM 0 HA ILE A 33 1.002 0.439 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 33 2.409 -0.133 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.492 -0.469 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.240 -1.853 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.985 -2.529 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.542 -1.755 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.555 -2.818 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.906 -2.583 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.253 -3.128 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.509 -1.723 -8.341 1.00 0.00 H new ATOM 517 N GLN A 34 3.557 1.445 -7.315 1.00 0.00 N ATOM 518 CA GLN A 34 4.600 2.279 -7.980 1.00 0.00 C ATOM 519 C GLN A 34 5.974 2.004 -7.362 1.00 0.00 C ATOM 520 O GLN A 34 6.082 1.446 -6.288 1.00 0.00 O ATOM 521 CB GLN A 34 4.176 3.724 -7.721 1.00 0.00 C ATOM 522 CG GLN A 34 2.763 3.947 -8.264 1.00 0.00 C ATOM 523 CD GLN A 34 2.301 5.363 -7.912 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.859 5.998 -7.040 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.295 5.887 -8.558 1.00 0.00 N ATOM 0 H GLN A 34 3.440 1.612 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 34 4.683 2.063 -9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.204 3.936 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.874 4.410 -8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.750 3.807 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.078 3.213 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.826 5.354 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.978 6.829 -8.330 1.00 0.00 H new ATOM 534 N GLY A 35 7.024 2.391 -8.034 1.00 0.00 N ATOM 535 CA GLY A 35 8.388 2.152 -7.485 1.00 0.00 C ATOM 536 C GLY A 35 9.087 3.495 -7.243 1.00 0.00 C ATOM 537 O GLY A 35 8.551 4.535 -7.569 1.00 0.00 O ATOM 0 H GLY A 35 6.996 2.862 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.323 1.591 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.970 1.547 -8.180 1.00 0.00 H new ATOM 541 N PRO A 36 10.267 3.430 -6.676 1.00 0.00 N ATOM 542 CA PRO A 36 11.046 4.659 -6.389 1.00 0.00 C ATOM 543 C PRO A 36 11.358 5.416 -7.683 1.00 0.00 C ATOM 544 O PRO A 36 11.670 6.590 -7.665 1.00 0.00 O ATOM 545 CB PRO A 36 12.324 4.107 -5.753 1.00 0.00 C ATOM 546 CG PRO A 36 12.229 2.568 -5.700 1.00 0.00 C ATOM 547 CD PRO A 36 10.883 2.136 -6.296 1.00 0.00 C ATOM 0 HA PRO A 36 10.521 5.370 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.196 4.411 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.451 4.512 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.051 2.120 -6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.316 2.220 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.013 1.480 -7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.274 1.594 -5.572 1.00 0.00 H new ATOM 555 N ASP A 37 11.282 4.754 -8.805 1.00 0.00 N ATOM 556 CA ASP A 37 11.579 5.442 -10.095 1.00 0.00 C ATOM 557 C ASP A 37 10.343 6.185 -10.597 1.00 0.00 C ATOM 558 O ASP A 37 10.423 7.014 -11.484 1.00 0.00 O ATOM 559 CB ASP A 37 11.969 4.325 -11.063 1.00 0.00 C ATOM 560 CG ASP A 37 13.180 3.571 -10.508 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.882 4.139 -9.689 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.383 2.437 -10.912 1.00 0.00 O ATOM 0 H ASP A 37 11.028 3.769 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 37 12.371 6.184 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.132 3.640 -11.201 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.204 4.743 -12.042 1.00 0.00 H new ATOM 567 N GLY A 38 9.205 5.903 -10.036 1.00 0.00 N ATOM 568 CA GLY A 38 7.970 6.602 -10.478 1.00 0.00 C ATOM 569 C GLY A 38 7.200 5.719 -11.462 1.00 0.00 C ATOM 570 O GLY A 38 6.057 5.981 -11.782 1.00 0.00 O ATOM 0 H GLY A 38 9.075 5.219 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.344 6.834 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.227 7.550 -10.950 1.00 0.00 H new ATOM 574 N LYS A 39 7.816 4.677 -11.949 1.00 0.00 N ATOM 575 CA LYS A 39 7.117 3.782 -12.916 1.00 0.00 C ATOM 576 C LYS A 39 6.181 2.824 -12.176 1.00 0.00 C ATOM 577 O LYS A 39 6.344 2.564 -11.001 1.00 0.00 O ATOM 578 CB LYS A 39 8.233 3.003 -13.613 1.00 0.00 C ATOM 579 CG LYS A 39 9.268 3.979 -14.173 1.00 0.00 C ATOM 580 CD LYS A 39 10.418 3.193 -14.807 1.00 0.00 C ATOM 581 CE LYS A 39 11.468 4.167 -15.344 1.00 0.00 C ATOM 582 NZ LYS A 39 10.956 4.582 -16.680 1.00 0.00 N ATOM 0 H LYS A 39 8.772 4.406 -11.720 1.00 0.00 H new ATOM 0 HA LYS A 39 6.504 4.342 -13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.707 2.319 -12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.818 2.396 -14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.806 4.630 -14.915 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.647 4.621 -13.377 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.867 2.528 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.042 2.566 -15.615 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.587 5.025 -14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.445 3.690 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.645 4.319 -17.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.051 4.105 -16.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.814 5.612 -16.693 1.00 0.00 H new ATOM 596 N VAL A 40 5.203 2.295 -12.859 1.00 0.00 N ATOM 597 CA VAL A 40 4.258 1.349 -12.200 1.00 0.00 C ATOM 598 C VAL A 40 4.638 -0.093 -12.545 1.00 0.00 C ATOM 599 O VAL A 40 5.238 -0.357 -13.568 1.00 0.00 O ATOM 600 CB VAL A 40 2.884 1.695 -12.773 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.825 0.791 -12.139 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.557 3.157 -12.466 1.00 0.00 C ATOM 0 H VAL A 40 5.017 2.477 -13.845 1.00 0.00 H new ATOM 0 HA VAL A 40 4.276 1.434 -11.113 1.00 0.00 H new ATOM 0 HB VAL A 40 2.892 1.544 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.845 1.037 -12.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.058 -0.251 -12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.817 0.942 -11.060 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.577 3.404 -12.875 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.549 3.309 -11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.311 3.801 -12.918 1.00 0.00 H new ATOM 612 N HIS A 41 4.300 -1.028 -11.701 1.00 0.00 N ATOM 613 CA HIS A 41 4.651 -2.449 -11.988 1.00 0.00 C ATOM 614 C HIS A 41 3.429 -3.352 -11.793 1.00 0.00 C ATOM 615 O HIS A 41 2.341 -2.889 -11.511 1.00 0.00 O ATOM 616 CB HIS A 41 5.747 -2.793 -10.981 1.00 0.00 C ATOM 617 CG HIS A 41 6.829 -1.749 -11.050 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.101 -0.658 -10.264 1.00 0.00 N flip ATOM 619 CD2 HIS A 41 7.798 -1.753 -12.041 1.00 0.00 C flip ATOM 620 CE1 HIS A 41 8.221 0.007 -10.755 1.00 0.00 C flip ATOM 621 NE2 HIS A 41 8.601 -0.694 -11.826 1.00 0.00 N flip ATOM 0 H HIS A 41 3.797 -0.871 -10.827 1.00 0.00 H new ATOM 0 HA HIS A 41 4.982 -2.594 -13.016 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.331 -2.837 -9.974 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.161 -3.778 -11.198 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.892 -2.474 -12.840 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.683 0.898 -10.356 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.402 -0.456 -12.410 1.00 0.00 H new ATOM 629 N GLY A 42 3.601 -4.636 -11.947 1.00 0.00 N ATOM 630 CA GLY A 42 2.450 -5.570 -11.780 1.00 0.00 C ATOM 631 C GLY A 42 2.154 -5.765 -10.291 1.00 0.00 C ATOM 632 O GLY A 42 1.074 -5.468 -9.820 1.00 0.00 O ATOM 0 H GLY A 42 4.489 -5.080 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.570 -5.172 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.678 -6.530 -12.244 1.00 0.00 H new ATOM 636 N ASN A 43 3.100 -6.268 -9.546 1.00 0.00 N ATOM 637 CA ASN A 43 2.863 -6.485 -8.090 1.00 0.00 C ATOM 638 C ASN A 43 4.005 -5.890 -7.267 1.00 0.00 C ATOM 639 O ASN A 43 4.820 -5.138 -7.764 1.00 0.00 O ATOM 640 CB ASN A 43 2.818 -8.004 -7.917 1.00 0.00 C ATOM 641 CG ASN A 43 4.085 -8.622 -8.509 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.815 -7.969 -9.231 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.382 -9.863 -8.233 1.00 0.00 N ATOM 0 H ASN A 43 4.025 -6.538 -9.881 1.00 0.00 H new ATOM 0 HA ASN A 43 1.945 -6.005 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.736 -8.258 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.936 -8.411 -8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.225 -10.284 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.771 -10.411 -7.628 1.00 0.00 H new ATOM 650 N THR A 44 4.067 -6.224 -6.008 1.00 0.00 N ATOM 651 CA THR A 44 5.152 -5.683 -5.143 1.00 0.00 C ATOM 652 C THR A 44 6.479 -6.365 -5.477 1.00 0.00 C ATOM 653 O THR A 44 7.536 -5.779 -5.353 1.00 0.00 O ATOM 654 CB THR A 44 4.723 -6.011 -3.713 1.00 0.00 C ATOM 655 OG1 THR A 44 3.549 -5.279 -3.395 1.00 0.00 O ATOM 656 CG2 THR A 44 5.843 -5.631 -2.744 1.00 0.00 C ATOM 0 H THR A 44 3.411 -6.850 -5.540 1.00 0.00 H new ATOM 0 HA THR A 44 5.300 -4.612 -5.285 1.00 0.00 H new ATOM 0 HB THR A 44 4.520 -7.079 -3.628 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.271 -5.489 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.537 -5.865 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.744 -6.193 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.048 -4.564 -2.825 1.00 0.00 H new ATOM 664 N CYS A 45 6.435 -7.595 -5.909 1.00 0.00 N ATOM 665 CA CYS A 45 7.703 -8.298 -6.257 1.00 0.00 C ATOM 666 C CYS A 45 8.332 -7.624 -7.476 1.00 0.00 C ATOM 667 O CYS A 45 9.494 -7.273 -7.471 1.00 0.00 O ATOM 668 CB CYS A 45 7.316 -9.740 -6.586 1.00 0.00 C ATOM 669 SG CYS A 45 6.168 -10.372 -5.337 1.00 0.00 S ATOM 0 H CYS A 45 5.583 -8.141 -6.036 1.00 0.00 H new ATOM 0 HA CYS A 45 8.426 -8.266 -5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.855 -9.786 -7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.208 -10.366 -6.622 1.00 0.00 H new ATOM 674 N SER A 46 7.566 -7.425 -8.518 1.00 0.00 N ATOM 675 CA SER A 46 8.124 -6.754 -9.724 1.00 0.00 C ATOM 676 C SER A 46 8.880 -5.500 -9.290 1.00 0.00 C ATOM 677 O SER A 46 9.972 -5.227 -9.748 1.00 0.00 O ATOM 678 CB SER A 46 6.911 -6.389 -10.579 1.00 0.00 C ATOM 679 OG SER A 46 6.450 -7.544 -11.265 1.00 0.00 O ATOM 0 H SER A 46 6.585 -7.697 -8.584 1.00 0.00 H new ATOM 0 HA SER A 46 8.821 -7.384 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.117 -5.986 -9.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.178 -5.611 -11.294 1.00 0.00 H new ATOM 0 HG SER A 46 5.845 -8.050 -10.683 1.00 0.00 H new ATOM 685 N MET A 47 8.312 -4.745 -8.388 1.00 0.00 N ATOM 686 CA MET A 47 9.007 -3.521 -7.901 1.00 0.00 C ATOM 687 C MET A 47 10.275 -3.933 -7.157 1.00 0.00 C ATOM 688 O MET A 47 11.214 -3.175 -7.025 1.00 0.00 O ATOM 689 CB MET A 47 8.018 -2.858 -6.944 1.00 0.00 C ATOM 690 CG MET A 47 8.030 -1.345 -7.165 1.00 0.00 C ATOM 691 SD MET A 47 9.426 -0.619 -6.273 1.00 0.00 S ATOM 692 CE MET A 47 8.958 -1.183 -4.618 1.00 0.00 C ATOM 0 H MET A 47 7.399 -4.923 -7.969 1.00 0.00 H new ATOM 0 HA MET A 47 9.298 -2.847 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.015 -3.252 -7.110 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.284 -3.088 -5.912 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.109 -1.122 -8.229 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.094 -0.908 -6.816 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.221 -0.420 -3.886 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.883 -1.363 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.487 -2.107 -4.385 1.00 0.00 H new ATOM 702 N CYS A 48 10.296 -5.142 -6.672 1.00 0.00 N ATOM 703 CA CYS A 48 11.488 -5.639 -5.933 1.00 0.00 C ATOM 704 C CYS A 48 12.480 -6.283 -6.908 1.00 0.00 C ATOM 705 O CYS A 48 13.680 -6.186 -6.736 1.00 0.00 O ATOM 706 CB CYS A 48 10.932 -6.676 -4.951 1.00 0.00 C ATOM 707 SG CYS A 48 10.189 -5.834 -3.526 1.00 0.00 S ATOM 0 H CYS A 48 9.532 -5.812 -6.757 1.00 0.00 H new ATOM 0 HA CYS A 48 12.027 -4.843 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.187 -7.298 -5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.730 -7.340 -4.618 1.00 0.00 H new ATOM 712 N GLU A 49 11.995 -6.927 -7.937 1.00 0.00 N ATOM 713 CA GLU A 49 12.924 -7.555 -8.921 1.00 0.00 C ATOM 714 C GLU A 49 13.846 -6.483 -9.497 1.00 0.00 C ATOM 715 O GLU A 49 15.041 -6.669 -9.615 1.00 0.00 O ATOM 716 CB GLU A 49 12.027 -8.127 -10.024 1.00 0.00 C ATOM 717 CG GLU A 49 10.990 -9.070 -9.416 1.00 0.00 C ATOM 718 CD GLU A 49 10.468 -10.019 -10.497 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.599 -9.685 -11.664 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.947 -11.062 -10.141 1.00 0.00 O ATOM 0 H GLU A 49 11.002 -7.045 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 49 13.547 -8.328 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.527 -7.317 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.632 -8.662 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.435 -9.640 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.166 -8.497 -8.991 1.00 0.00 H new ATOM 727 N VAL A 50 13.296 -5.352 -9.849 1.00 0.00 N ATOM 728 CA VAL A 50 14.139 -4.258 -10.408 1.00 0.00 C ATOM 729 C VAL A 50 15.118 -3.776 -9.340 1.00 0.00 C ATOM 730 O VAL A 50 16.289 -3.577 -9.597 1.00 0.00 O ATOM 731 CB VAL A 50 13.158 -3.148 -10.794 1.00 0.00 C ATOM 732 CG1 VAL A 50 11.962 -3.760 -11.522 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.669 -2.428 -9.535 1.00 0.00 C ATOM 0 H VAL A 50 12.301 -5.139 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 50 14.729 -4.578 -11.267 1.00 0.00 H new ATOM 0 HB VAL A 50 13.661 -2.434 -11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.262 -2.972 -11.798 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.306 -4.271 -12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.464 -4.475 -10.867 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.971 -1.639 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.167 -3.140 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.520 -1.991 -9.012 1.00 0.00 H new ATOM 743 N PHE A 51 14.650 -3.606 -8.133 1.00 0.00 N ATOM 744 CA PHE A 51 15.559 -3.160 -7.043 1.00 0.00 C ATOM 745 C PHE A 51 16.580 -4.262 -6.765 1.00 0.00 C ATOM 746 O PHE A 51 17.743 -4.006 -6.522 1.00 0.00 O ATOM 747 CB PHE A 51 14.656 -2.938 -5.830 1.00 0.00 C ATOM 748 CG PHE A 51 15.504 -2.828 -4.586 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.422 -1.779 -4.453 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.372 -3.776 -3.564 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.206 -1.677 -3.298 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.156 -3.673 -2.409 1.00 0.00 C ATOM 753 CZ PHE A 51 17.073 -2.624 -2.276 1.00 0.00 C ATOM 0 H PHE A 51 13.680 -3.757 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 51 16.111 -2.254 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.067 -2.031 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.952 -3.764 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.525 -1.049 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.666 -4.586 -3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.914 -0.868 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.053 -4.403 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.678 -2.545 -1.385 1.00 0.00 H new ATOM 763 N PHE A 52 16.149 -5.491 -6.817 1.00 0.00 N ATOM 764 CA PHE A 52 17.082 -6.623 -6.577 1.00 0.00 C ATOM 765 C PHE A 52 18.104 -6.682 -7.713 1.00 0.00 C ATOM 766 O PHE A 52 19.241 -7.066 -7.524 1.00 0.00 O ATOM 767 CB PHE A 52 16.196 -7.871 -6.579 1.00 0.00 C ATOM 768 CG PHE A 52 15.763 -8.195 -5.167 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.659 -8.049 -4.098 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.458 -8.640 -4.928 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.245 -8.345 -2.793 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.048 -8.937 -3.626 1.00 0.00 C ATOM 773 CZ PHE A 52 14.939 -8.789 -2.558 1.00 0.00 C ATOM 0 H PHE A 52 15.186 -5.760 -7.017 1.00 0.00 H new ATOM 0 HA PHE A 52 17.637 -6.528 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.321 -7.706 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.741 -8.714 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.668 -7.709 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.767 -8.754 -5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.933 -8.231 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.041 -9.282 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.619 -9.017 -1.552 1.00 0.00 H new ATOM 783 N GLN A 53 17.703 -6.291 -8.891 1.00 0.00 N ATOM 784 CA GLN A 53 18.643 -6.305 -10.046 1.00 0.00 C ATOM 785 C GLN A 53 19.685 -5.199 -9.872 1.00 0.00 C ATOM 786 O GLN A 53 20.862 -5.395 -10.102 1.00 0.00 O ATOM 787 CB GLN A 53 17.765 -6.028 -11.265 1.00 0.00 C ATOM 788 CG GLN A 53 18.442 -6.578 -12.521 1.00 0.00 C ATOM 789 CD GLN A 53 17.835 -5.913 -13.759 1.00 0.00 C ATOM 790 OE1 GLN A 53 16.651 -5.368 -13.679 1.00 0.00 O flip ATOM 791 NE2 GLN A 53 18.444 -5.891 -14.810 1.00 0.00 N flip ATOM 0 H GLN A 53 16.761 -5.961 -9.104 1.00 0.00 H new ATOM 0 HA GLN A 53 19.184 -7.247 -10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.787 -6.491 -11.134 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.598 -4.956 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.515 -6.388 -12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.311 -7.659 -12.574 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.369 -6.317 -14.873 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.030 -5.447 -15.630 1.00 0.00 H new ATOM 800 N ALA A 54 19.255 -4.037 -9.463 1.00 0.00 N ATOM 801 CA ALA A 54 20.213 -2.912 -9.266 1.00 0.00 C ATOM 802 C ALA A 54 21.137 -3.207 -8.083 1.00 0.00 C ATOM 803 O ALA A 54 22.303 -2.870 -8.094 1.00 0.00 O ATOM 804 CB ALA A 54 19.338 -1.693 -8.973 1.00 0.00 C ATOM 0 H ALA A 54 18.281 -3.818 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 54 20.851 -2.755 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.971 -0.820 -8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.673 -1.511 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.745 -1.878 -8.077 1.00 0.00 H new ATOM 810 N GLU A 55 20.625 -3.837 -7.060 1.00 0.00 N ATOM 811 CA GLU A 55 21.478 -4.153 -5.879 1.00 0.00 C ATOM 812 C GLU A 55 22.838 -4.675 -6.341 1.00 0.00 C ATOM 813 O GLU A 55 23.865 -4.354 -5.776 1.00 0.00 O ATOM 814 CB GLU A 55 20.716 -5.237 -5.116 1.00 0.00 C ATOM 815 CG GLU A 55 19.651 -4.584 -4.233 1.00 0.00 C ATOM 816 CD GLU A 55 20.332 -3.794 -3.112 1.00 0.00 C ATOM 817 OE1 GLU A 55 21.490 -4.065 -2.844 1.00 0.00 O ATOM 818 OE2 GLU A 55 19.682 -2.932 -2.544 1.00 0.00 O ATOM 0 H GLU A 55 19.655 -4.146 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 55 21.667 -3.278 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.249 -5.930 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.405 -5.819 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.024 -3.922 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.997 -5.346 -3.810 1.00 0.00 H new ATOM 825 N GLU A 56 22.852 -5.474 -7.369 1.00 0.00 N ATOM 826 CA GLU A 56 24.145 -6.016 -7.877 1.00 0.00 C ATOM 827 C GLU A 56 25.001 -4.881 -8.443 1.00 0.00 C ATOM 828 O GLU A 56 26.213 -4.930 -8.417 1.00 0.00 O ATOM 829 CB GLU A 56 23.756 -6.999 -8.983 1.00 0.00 C ATOM 830 CG GLU A 56 23.067 -8.216 -8.363 1.00 0.00 C ATOM 831 CD GLU A 56 22.686 -9.205 -9.466 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.806 -8.843 -10.625 1.00 0.00 O ATOM 833 OE2 GLU A 56 22.279 -10.305 -9.134 1.00 0.00 O ATOM 0 H GLU A 56 22.024 -5.777 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 56 24.730 -6.498 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 56 23.090 -6.515 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.642 -7.311 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.731 -8.696 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.177 -7.904 -7.817 1.00 0.00 H new