USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 491 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 Single : A 11 ASN : amide:sc= -0.0921 X(o=-0.092,f=-0.34) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 18 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.17) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 55 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.747 K(o=-0.75,f=-0.024) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -40:sc= 0.343 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 5.209 42.011 -10.717 1.00 0.00 N ATOM 140 CA ASN A 11 6.095 41.197 -9.894 1.00 0.00 C ATOM 141 C ASN A 11 5.294 40.305 -8.950 1.00 0.00 C ATOM 142 O ASN A 11 5.748 39.229 -8.562 1.00 0.00 O ATOM 143 CB ASN A 11 7.041 42.089 -9.088 1.00 0.00 C ATOM 144 CG ASN A 11 8.426 42.167 -9.703 1.00 0.00 C ATOM 145 OD1 ASN A 11 8.996 41.152 -10.105 1.00 0.00 O ATOM 146 ND2 ASN A 11 8.974 43.374 -9.777 1.00 0.00 N ATOM 0 HA ASN A 11 6.682 40.561 -10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.620 43.092 -9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.119 41.706 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.904 43.488 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.465 44.187 -9.431 1.00 0.00 H new ATOM 153 N GLN A 12 4.098 40.760 -8.587 1.00 0.00 N ATOM 154 CA GLN A 12 3.234 40.003 -7.690 1.00 0.00 C ATOM 155 C GLN A 12 2.964 38.608 -8.242 1.00 0.00 C ATOM 156 O GLN A 12 3.031 37.616 -7.514 1.00 0.00 O ATOM 157 CB GLN A 12 1.913 40.744 -7.475 1.00 0.00 C ATOM 158 CG GLN A 12 1.036 40.125 -6.398 1.00 0.00 C ATOM 159 CD GLN A 12 -0.419 40.030 -6.814 1.00 0.00 C ATOM 160 OE1 GLN A 12 -0.888 38.976 -7.241 1.00 0.00 O ATOM 161 NE2 GLN A 12 -1.143 41.138 -6.689 1.00 0.00 N ATOM 0 H GLN A 12 3.707 41.648 -8.900 1.00 0.00 H new ATOM 0 HA GLN A 12 3.746 39.902 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.126 41.779 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.360 40.764 -8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.408 39.128 -6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.112 40.719 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.713 41.990 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.129 41.136 -6.952 1.00 0.00 H new ATOM 170 N VAL A 13 2.656 38.536 -9.533 1.00 0.00 N ATOM 171 CA VAL A 13 2.376 37.262 -10.184 1.00 0.00 C ATOM 172 C VAL A 13 3.623 36.387 -10.236 1.00 0.00 C ATOM 173 O VAL A 13 3.546 35.170 -10.078 1.00 0.00 O ATOM 174 CB VAL A 13 1.844 37.468 -11.615 1.00 0.00 C ATOM 175 CG1 VAL A 13 2.842 38.259 -12.447 1.00 0.00 C ATOM 176 CG2 VAL A 13 1.539 36.128 -12.266 1.00 0.00 C ATOM 0 H VAL A 13 2.594 39.346 -10.149 1.00 0.00 H new ATOM 0 HA VAL A 13 1.611 36.763 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 13 0.918 38.040 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.449 38.395 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.007 39.234 -11.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.786 37.716 -12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.164 36.291 -13.276 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.449 35.529 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.785 35.602 -11.680 1.00 0.00 H new ATOM 186 N ASN A 14 4.772 37.016 -10.462 1.00 0.00 N ATOM 187 CA ASN A 14 6.037 36.293 -10.536 1.00 0.00 C ATOM 188 C ASN A 14 6.336 35.583 -9.220 1.00 0.00 C ATOM 189 O ASN A 14 6.474 34.361 -9.179 1.00 0.00 O ATOM 190 CB ASN A 14 7.177 37.254 -10.881 1.00 0.00 C ATOM 191 CG ASN A 14 8.145 36.664 -11.888 1.00 0.00 C ATOM 192 OD1 ASN A 14 7.773 36.361 -13.021 1.00 0.00 O ATOM 193 ND2 ASN A 14 9.398 36.498 -11.477 1.00 0.00 N ATOM 0 H ASN A 14 4.853 38.024 -10.597 1.00 0.00 H new ATOM 0 HA ASN A 14 5.953 35.542 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.761 38.179 -11.280 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.717 37.514 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.095 36.105 -12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.663 36.763 -10.528 1.00 0.00 H new ATOM 200 N ASP A 15 6.435 36.359 -8.145 1.00 0.00 N ATOM 201 CA ASP A 15 6.715 35.805 -6.825 1.00 0.00 C ATOM 202 C ASP A 15 5.634 34.812 -6.411 1.00 0.00 C ATOM 203 O ASP A 15 5.931 33.735 -5.895 1.00 0.00 O ATOM 204 CB ASP A 15 6.821 36.924 -5.790 1.00 0.00 C ATOM 205 CG ASP A 15 7.934 37.904 -6.108 1.00 0.00 C ATOM 206 OD1 ASP A 15 9.080 37.454 -6.313 1.00 0.00 O ATOM 207 OD2 ASP A 15 7.658 39.121 -6.151 1.00 0.00 O ATOM 0 H ASP A 15 6.325 37.373 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 15 7.667 35.277 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.873 37.459 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.994 36.489 -4.806 1.00 0.00 H new ATOM 212 N GLU A 16 4.377 35.183 -6.641 1.00 0.00 N ATOM 213 CA GLU A 16 3.252 34.325 -6.290 1.00 0.00 C ATOM 214 C GLU A 16 3.413 32.937 -6.903 1.00 0.00 C ATOM 215 O GLU A 16 3.250 31.924 -6.224 1.00 0.00 O ATOM 216 CB GLU A 16 1.938 34.954 -6.759 1.00 0.00 C ATOM 217 CG GLU A 16 0.715 34.105 -6.454 1.00 0.00 C ATOM 218 CD GLU A 16 -0.220 34.766 -5.460 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.149 34.861 -4.271 1.00 0.00 O ATOM 220 OE2 GLU A 16 -1.322 35.188 -5.871 1.00 0.00 O ATOM 0 H GLU A 16 4.114 36.071 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 16 3.231 34.222 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.821 35.928 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.991 35.127 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.174 33.907 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.036 33.141 -6.060 1.00 0.00 H new ATOM 227 N LEU A 17 3.734 32.900 -8.192 1.00 0.00 N ATOM 228 CA LEU A 17 3.916 31.638 -8.899 1.00 0.00 C ATOM 229 C LEU A 17 5.176 30.924 -8.421 1.00 0.00 C ATOM 230 O LEU A 17 5.230 29.694 -8.389 1.00 0.00 O ATOM 231 CB LEU A 17 3.995 31.881 -10.407 1.00 0.00 C ATOM 232 CG LEU A 17 2.658 32.012 -11.137 1.00 0.00 C ATOM 233 CD1 LEU A 17 2.852 32.674 -12.493 1.00 0.00 C ATOM 234 CD2 LEU A 17 2.001 30.649 -11.296 1.00 0.00 C ATOM 0 H LEU A 17 3.873 33.730 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 17 3.056 31.003 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.570 32.791 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.554 31.061 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 17 2.000 32.643 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.890 32.759 -12.998 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.278 33.668 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.528 32.071 -13.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.051 30.762 -11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.655 29.995 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.826 30.213 -10.313 1.00 0.00 H new ATOM 246 N ASN A 18 6.186 31.703 -8.048 1.00 0.00 N ATOM 247 CA ASN A 18 7.446 31.144 -7.570 1.00 0.00 C ATOM 248 C ASN A 18 7.222 30.273 -6.338 1.00 0.00 C ATOM 249 O ASN A 18 7.524 29.080 -6.344 1.00 0.00 O ATOM 250 CB ASN A 18 8.433 32.266 -7.241 1.00 0.00 C ATOM 251 CG ASN A 18 9.785 32.055 -7.894 1.00 0.00 C ATOM 252 OD1 ASN A 18 9.873 31.761 -9.086 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.849 32.205 -7.113 1.00 0.00 N ATOM 0 H ASN A 18 6.157 32.722 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 18 7.863 30.522 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.018 33.219 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.560 32.329 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.785 32.076 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.730 32.449 -6.130 1.00 0.00 H new ATOM 260 N LYS A 19 6.689 30.877 -5.282 1.00 0.00 N ATOM 261 CA LYS A 19 6.421 30.158 -4.041 1.00 0.00 C ATOM 262 C LYS A 19 5.334 29.107 -4.246 1.00 0.00 C ATOM 263 O LYS A 19 5.484 27.958 -3.834 1.00 0.00 O ATOM 264 CB LYS A 19 6.002 31.134 -2.941 1.00 0.00 C ATOM 265 CG LYS A 19 7.123 32.050 -2.481 1.00 0.00 C ATOM 266 CD LYS A 19 7.305 33.227 -3.426 1.00 0.00 C ATOM 267 CE LYS A 19 8.191 34.301 -2.813 1.00 0.00 C ATOM 268 NZ LYS A 19 9.460 33.735 -2.279 1.00 0.00 N ATOM 0 H LYS A 19 6.433 31.864 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 19 7.338 29.653 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.173 31.742 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.633 30.568 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.905 32.418 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.053 31.485 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.746 32.880 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.332 33.652 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.419 35.057 -3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.651 34.803 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.131 34.506 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.266 33.219 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.871 33.083 -2.978 1.00 0.00 H new ATOM 282 N MET A 20 4.241 29.511 -4.886 1.00 0.00 N ATOM 283 CA MET A 20 3.130 28.603 -5.146 1.00 0.00 C ATOM 284 C MET A 20 3.614 27.340 -5.850 1.00 0.00 C ATOM 285 O MET A 20 3.349 26.226 -5.395 1.00 0.00 O ATOM 286 CB MET A 20 2.065 29.298 -5.997 1.00 0.00 C ATOM 287 CG MET A 20 0.852 28.426 -6.283 1.00 0.00 C ATOM 288 SD MET A 20 -0.703 29.254 -5.900 1.00 0.00 S ATOM 289 CE MET A 20 -1.695 28.782 -7.314 1.00 0.00 C ATOM 0 H MET A 20 4.101 30.460 -5.233 1.00 0.00 H new ATOM 0 HA MET A 20 2.693 28.320 -4.189 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.739 30.204 -5.487 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.511 29.607 -6.942 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.856 28.137 -7.334 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.924 27.508 -5.700 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.689 29.219 -7.223 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.222 29.144 -8.227 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.778 27.696 -7.354 1.00 0.00 H new ATOM 299 N GLN A 21 4.323 27.520 -6.960 1.00 0.00 N ATOM 300 CA GLN A 21 4.843 26.392 -7.724 1.00 0.00 C ATOM 301 C GLN A 21 5.798 25.555 -6.881 1.00 0.00 C ATOM 302 O GLN A 21 5.725 24.326 -6.878 1.00 0.00 O ATOM 303 CB GLN A 21 5.557 26.889 -8.983 1.00 0.00 C ATOM 304 CG GLN A 21 6.289 25.793 -9.740 1.00 0.00 C ATOM 305 CD GLN A 21 6.829 26.266 -11.075 1.00 0.00 C ATOM 306 OE1 GLN A 21 6.159 26.996 -11.805 1.00 0.00 O ATOM 307 NE2 GLN A 21 8.049 25.852 -11.400 1.00 0.00 N ATOM 0 H GLN A 21 4.550 28.435 -7.350 1.00 0.00 H new ATOM 0 HA GLN A 21 4.001 25.764 -8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.826 27.351 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.270 27.665 -8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.113 25.423 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.612 24.955 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.569 25.247 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.466 26.139 -12.286 1.00 0.00 H new ATOM 316 N ALA A 22 6.694 26.228 -6.166 1.00 0.00 N ATOM 317 CA ALA A 22 7.663 25.547 -5.317 1.00 0.00 C ATOM 318 C ALA A 22 6.964 24.681 -4.272 1.00 0.00 C ATOM 319 O ALA A 22 7.329 23.524 -4.065 1.00 0.00 O ATOM 320 CB ALA A 22 8.577 26.557 -4.642 1.00 0.00 C ATOM 0 H ALA A 22 6.768 27.245 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 22 8.266 24.894 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.295 26.033 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.110 27.129 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.982 27.234 -4.029 1.00 0.00 H new ATOM 326 N PHE A 23 5.960 25.252 -3.615 1.00 0.00 N ATOM 327 CA PHE A 23 5.211 24.533 -2.590 1.00 0.00 C ATOM 328 C PHE A 23 4.532 23.300 -3.177 1.00 0.00 C ATOM 329 O PHE A 23 4.587 22.213 -2.599 1.00 0.00 O ATOM 330 CB PHE A 23 4.165 25.451 -1.954 1.00 0.00 C ATOM 331 CG PHE A 23 4.677 26.209 -0.763 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.876 26.901 -0.828 1.00 0.00 C ATOM 333 CD2 PHE A 23 3.960 26.228 0.423 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.350 27.598 0.268 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.429 26.924 1.521 1.00 0.00 C ATOM 336 CZ PHE A 23 5.624 27.610 1.444 1.00 0.00 C ATOM 0 H PHE A 23 5.646 26.209 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 23 5.914 24.208 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.813 26.161 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.305 24.854 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.446 26.896 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.024 25.693 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.286 28.132 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.860 26.931 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.991 28.155 2.301 1.00 0.00 H new ATOM 346 N ILE A 24 3.891 23.475 -4.328 1.00 0.00 N ATOM 347 CA ILE A 24 3.201 22.378 -4.993 1.00 0.00 C ATOM 348 C ILE A 24 4.191 21.336 -5.505 1.00 0.00 C ATOM 349 O ILE A 24 3.869 20.152 -5.599 1.00 0.00 O ATOM 350 CB ILE A 24 2.348 22.880 -6.171 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.263 23.838 -5.673 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.725 21.708 -6.914 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.241 23.177 -4.774 1.00 0.00 C ATOM 0 H ILE A 24 3.836 24.367 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 24 2.547 21.921 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 24 2.995 23.420 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.734 24.659 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.752 24.274 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.125 22.081 -7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.513 21.060 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.090 21.142 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.497 23.914 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.257 22.374 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.740 22.765 -3.897 1.00 0.00 H new ATOM 365 N ARG A 25 5.398 21.787 -5.833 1.00 0.00 N ATOM 366 CA ARG A 25 6.436 20.894 -6.334 1.00 0.00 C ATOM 367 C ARG A 25 6.918 19.950 -5.237 1.00 0.00 C ATOM 368 O ARG A 25 7.014 18.740 -5.442 1.00 0.00 O ATOM 369 CB ARG A 25 7.614 21.703 -6.880 1.00 0.00 C ATOM 370 CG ARG A 25 8.850 20.865 -7.160 1.00 0.00 C ATOM 371 CD ARG A 25 9.412 21.146 -8.547 1.00 0.00 C ATOM 372 NE ARG A 25 10.280 20.069 -9.014 1.00 0.00 N ATOM 373 CZ ARG A 25 10.995 20.135 -10.130 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.948 21.220 -10.890 1.00 0.00 N ATOM 375 NH2 ARG A 25 11.763 19.113 -10.490 1.00 0.00 N ATOM 0 H ARG A 25 5.681 22.764 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 25 6.009 20.297 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.307 22.201 -7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.870 22.485 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.611 21.075 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.601 19.807 -7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.590 21.280 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.972 22.081 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 25 10.340 19.220 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.361 22.008 -10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.499 21.267 -11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.804 18.276 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.312 19.165 -11.348 1.00 0.00 H new ATOM 389 N LYS A 26 7.222 20.512 -4.072 1.00 0.00 N ATOM 390 CA LYS A 26 7.695 19.722 -2.941 1.00 0.00 C ATOM 391 C LYS A 26 6.580 18.835 -2.395 1.00 0.00 C ATOM 392 O LYS A 26 6.799 17.659 -2.106 1.00 0.00 O ATOM 393 CB LYS A 26 8.218 20.641 -1.835 1.00 0.00 C ATOM 394 CG LYS A 26 9.472 20.119 -1.155 1.00 0.00 C ATOM 395 CD LYS A 26 9.880 21.001 0.014 1.00 0.00 C ATOM 396 CE LYS A 26 11.250 21.623 -0.209 1.00 0.00 C ATOM 397 NZ LYS A 26 12.347 20.735 0.269 1.00 0.00 N ATOM 0 H LYS A 26 7.149 21.512 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 26 8.507 19.083 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.426 21.624 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.437 20.776 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.299 19.102 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.286 20.072 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.140 21.789 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.892 20.410 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.387 21.830 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.304 22.579 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.264 21.194 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.232 20.558 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.312 19.832 -0.246 1.00 0.00 H new ATOM 411 N GLU A 27 5.388 19.405 -2.259 1.00 0.00 N ATOM 412 CA GLU A 27 4.241 18.664 -1.748 1.00 0.00 C ATOM 413 C GLU A 27 3.888 17.503 -2.674 1.00 0.00 C ATOM 414 O GLU A 27 3.627 16.390 -2.219 1.00 0.00 O ATOM 415 CB GLU A 27 3.035 19.592 -1.591 1.00 0.00 C ATOM 416 CG GLU A 27 2.127 19.219 -0.431 1.00 0.00 C ATOM 417 CD GLU A 27 1.040 20.249 -0.187 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.368 20.645 -1.161 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.863 20.656 0.980 1.00 0.00 O ATOM 0 H GLU A 27 5.191 20.377 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 27 4.507 18.259 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.389 20.613 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.455 19.580 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.667 18.251 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.726 19.107 0.473 1.00 0.00 H new ATOM 426 N ALA A 28 3.879 17.774 -3.975 1.00 0.00 N ATOM 427 CA ALA A 28 3.558 16.754 -4.965 1.00 0.00 C ATOM 428 C ALA A 28 4.621 15.660 -4.990 1.00 0.00 C ATOM 429 O ALA A 28 4.301 14.471 -4.997 1.00 0.00 O ATOM 430 CB ALA A 28 3.414 17.382 -6.344 1.00 0.00 C ATOM 0 H ALA A 28 4.090 18.691 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 28 2.609 16.298 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.174 16.608 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.614 18.123 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.350 17.866 -6.623 1.00 0.00 H new ATOM 436 N GLU A 29 5.885 16.070 -5.003 1.00 0.00 N ATOM 437 CA GLU A 29 6.994 15.123 -5.028 1.00 0.00 C ATOM 438 C GLU A 29 7.016 14.277 -3.758 1.00 0.00 C ATOM 439 O GLU A 29 7.138 13.053 -3.819 1.00 0.00 O ATOM 440 CB GLU A 29 8.323 15.864 -5.183 1.00 0.00 C ATOM 441 CG GLU A 29 8.757 16.042 -6.628 1.00 0.00 C ATOM 442 CD GLU A 29 10.070 15.348 -6.933 1.00 0.00 C ATOM 443 OE1 GLU A 29 10.981 15.404 -6.080 1.00 0.00 O ATOM 444 OE2 GLU A 29 10.187 14.750 -8.023 1.00 0.00 O ATOM 0 H GLU A 29 6.167 17.050 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 29 6.854 14.461 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.239 16.845 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.098 15.319 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.982 15.651 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.853 17.106 -6.846 1.00 0.00 H new ATOM 451 N GLU A 30 6.897 14.937 -2.611 1.00 0.00 N ATOM 452 CA GLU A 30 6.905 14.245 -1.328 1.00 0.00 C ATOM 453 C GLU A 30 5.759 13.241 -1.244 1.00 0.00 C ATOM 454 O GLU A 30 5.955 12.089 -0.856 1.00 0.00 O ATOM 455 CB GLU A 30 6.799 15.252 -0.180 1.00 0.00 C ATOM 456 CG GLU A 30 7.332 14.726 1.142 1.00 0.00 C ATOM 457 CD GLU A 30 6.228 14.435 2.140 1.00 0.00 C ATOM 458 OE1 GLU A 30 5.374 13.572 1.849 1.00 0.00 O ATOM 459 OE2 GLU A 30 6.218 15.072 3.215 1.00 0.00 O ATOM 0 H GLU A 30 6.794 15.950 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 30 7.847 13.704 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.346 16.156 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.755 15.537 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.904 13.816 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.020 15.456 1.569 1.00 0.00 H new ATOM 466 N LYS A 31 4.561 13.687 -1.609 1.00 0.00 N ATOM 467 CA LYS A 31 3.383 12.829 -1.578 1.00 0.00 C ATOM 468 C LYS A 31 3.560 11.626 -2.498 1.00 0.00 C ATOM 469 O LYS A 31 3.246 10.496 -2.126 1.00 0.00 O ATOM 470 CB LYS A 31 2.139 13.620 -1.989 1.00 0.00 C ATOM 471 CG LYS A 31 0.886 12.770 -2.100 1.00 0.00 C ATOM 472 CD LYS A 31 -0.260 13.357 -1.292 1.00 0.00 C ATOM 473 CE LYS A 31 -1.245 12.281 -0.860 1.00 0.00 C ATOM 474 NZ LYS A 31 -2.561 12.429 -1.541 1.00 0.00 N ATOM 0 H LYS A 31 4.381 14.638 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 31 3.256 12.467 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.966 14.413 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.326 14.103 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.591 12.690 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.099 11.760 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.136 13.864 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.778 14.109 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.830 11.298 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.387 12.331 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.204 11.677 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.969 13.357 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.429 12.356 -2.570 1.00 0.00 H new ATOM 488 N ALA A 32 4.067 11.877 -3.702 1.00 0.00 N ATOM 489 CA ALA A 32 4.289 10.814 -4.674 1.00 0.00 C ATOM 490 C ALA A 32 5.281 9.783 -4.143 1.00 0.00 C ATOM 491 O ALA A 32 5.094 8.579 -4.320 1.00 0.00 O ATOM 492 CB ALA A 32 4.784 11.397 -5.989 1.00 0.00 C ATOM 0 H ALA A 32 4.331 12.807 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 32 3.339 10.309 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.946 10.592 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.040 12.090 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.721 11.928 -5.822 1.00 0.00 H new ATOM 498 N LYS A 33 6.336 10.264 -3.494 1.00 0.00 N ATOM 499 CA LYS A 33 7.356 9.385 -2.937 1.00 0.00 C ATOM 500 C LYS A 33 6.784 8.531 -1.810 1.00 0.00 C ATOM 501 O LYS A 33 7.060 7.335 -1.724 1.00 0.00 O ATOM 502 CB LYS A 33 8.539 10.207 -2.419 1.00 0.00 C ATOM 503 CG LYS A 33 9.699 9.359 -1.925 1.00 0.00 C ATOM 504 CD LYS A 33 10.808 9.276 -2.960 1.00 0.00 C ATOM 505 CE LYS A 33 12.041 8.580 -2.402 1.00 0.00 C ATOM 506 NZ LYS A 33 11.829 7.114 -2.252 1.00 0.00 N ATOM 0 H LYS A 33 6.506 11.258 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 33 7.701 8.722 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.892 10.862 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.197 10.849 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.093 9.782 -1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.344 8.356 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.449 8.736 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.074 10.280 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.889 8.759 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.295 9.011 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.691 6.676 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.036 6.943 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.612 6.698 -3.180 1.00 0.00 H new ATOM 520 N GLU A 34 5.985 9.154 -0.949 1.00 0.00 N ATOM 521 CA GLU A 34 5.374 8.449 0.172 1.00 0.00 C ATOM 522 C GLU A 34 4.449 7.341 -0.322 1.00 0.00 C ATOM 523 O GLU A 34 4.512 6.207 0.154 1.00 0.00 O ATOM 524 CB GLU A 34 4.591 9.427 1.052 1.00 0.00 C ATOM 525 CG GLU A 34 5.074 9.470 2.492 1.00 0.00 C ATOM 526 CD GLU A 34 4.182 8.680 3.430 1.00 0.00 C ATOM 527 OE1 GLU A 34 2.965 8.957 3.464 1.00 0.00 O ATOM 528 OE2 GLU A 34 4.701 7.785 4.129 1.00 0.00 O ATOM 0 H GLU A 34 5.746 10.144 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 34 6.171 7.997 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.663 10.427 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.537 9.150 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.089 9.075 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.118 10.507 2.826 1.00 0.00 H new ATOM 535 N ILE A 35 3.589 7.677 -1.278 1.00 0.00 N ATOM 536 CA ILE A 35 2.652 6.711 -1.836 1.00 0.00 C ATOM 537 C ILE A 35 3.377 5.665 -2.678 1.00 0.00 C ATOM 538 O ILE A 35 2.971 4.504 -2.725 1.00 0.00 O ATOM 539 CB ILE A 35 1.583 7.400 -2.704 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.814 8.435 -1.879 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.631 6.368 -3.291 1.00 0.00 C ATOM 542 CD1 ILE A 35 0.019 7.830 -0.743 1.00 0.00 C ATOM 0 H ILE A 35 3.522 8.611 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 35 2.164 6.222 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 35 2.080 7.915 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.519 9.161 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.137 8.981 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.119 6.871 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.191 5.666 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.138 5.827 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.500 8.620 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.710 7.125 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.694 7.308 -0.065 1.00 0.00 H new ATOM 554 N GLN A 36 4.451 6.085 -3.338 1.00 0.00 N ATOM 555 CA GLN A 36 5.232 5.184 -4.177 1.00 0.00 C ATOM 556 C GLN A 36 5.998 4.175 -3.326 1.00 0.00 C ATOM 557 O GLN A 36 5.990 2.977 -3.610 1.00 0.00 O ATOM 558 CB GLN A 36 6.207 5.979 -5.046 1.00 0.00 C ATOM 559 CG GLN A 36 6.958 5.126 -6.056 1.00 0.00 C ATOM 560 CD GLN A 36 6.217 4.994 -7.373 1.00 0.00 C ATOM 561 OE1 GLN A 36 6.196 5.921 -8.182 1.00 0.00 O ATOM 562 NE2 GLN A 36 5.605 3.836 -7.593 1.00 0.00 N ATOM 0 H GLN A 36 4.800 7.043 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 36 4.542 4.640 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.657 6.756 -5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.927 6.483 -4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.939 5.564 -6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.125 4.134 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.649 3.095 -6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.091 3.688 -8.461 1.00 0.00 H new ATOM 571 N LEU A 37 6.656 4.668 -2.284 1.00 0.00 N ATOM 572 CA LEU A 37 7.428 3.809 -1.391 1.00 0.00 C ATOM 573 C LEU A 37 6.506 2.937 -0.543 1.00 0.00 C ATOM 574 O LEU A 37 6.842 1.801 -0.210 1.00 0.00 O ATOM 575 CB LEU A 37 8.324 4.655 -0.486 1.00 0.00 C ATOM 576 CG LEU A 37 7.659 5.238 0.762 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.761 4.264 1.925 1.00 0.00 C ATOM 578 CD2 LEU A 37 8.287 6.574 1.127 1.00 0.00 C ATOM 0 H LEU A 37 6.671 5.657 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 37 8.052 3.158 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.169 4.043 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.729 5.478 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 37 6.604 5.403 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.283 4.696 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.263 3.331 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.811 4.067 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.801 6.973 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.350 6.434 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.161 7.273 0.300 1.00 0.00 H new ATOM 590 N LYS A 38 5.342 3.477 -0.199 1.00 0.00 N ATOM 591 CA LYS A 38 4.369 2.749 0.606 1.00 0.00 C ATOM 592 C LYS A 38 3.747 1.607 -0.191 1.00 0.00 C ATOM 593 O LYS A 38 3.658 0.478 0.290 1.00 0.00 O ATOM 594 CB LYS A 38 3.273 3.696 1.100 1.00 0.00 C ATOM 595 CG LYS A 38 3.639 4.438 2.374 1.00 0.00 C ATOM 596 CD LYS A 38 2.634 4.169 3.482 1.00 0.00 C ATOM 597 CE LYS A 38 1.321 4.895 3.232 1.00 0.00 C ATOM 598 NZ LYS A 38 0.734 5.434 4.490 1.00 0.00 N ATOM 0 H LYS A 38 5.049 4.417 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 38 4.890 2.327 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.052 4.422 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.361 3.124 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.633 4.134 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.683 5.508 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.450 3.097 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.051 4.487 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.486 5.712 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.612 4.212 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.159 5.921 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.552 4.652 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.399 6.106 4.923 1.00 0.00 H new ATOM 612 N ALA A 39 3.321 1.909 -1.413 1.00 0.00 N ATOM 613 CA ALA A 39 2.711 0.907 -2.279 1.00 0.00 C ATOM 614 C ALA A 39 3.729 -0.148 -2.698 1.00 0.00 C ATOM 615 O ALA A 39 3.431 -1.343 -2.707 1.00 0.00 O ATOM 616 CB ALA A 39 2.100 1.570 -3.504 1.00 0.00 C ATOM 0 H ALA A 39 3.387 2.839 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 39 1.921 0.409 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.648 0.810 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.336 2.281 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.877 2.094 -4.060 1.00 0.00 H new ATOM 622 N ASP A 40 4.930 0.300 -3.047 1.00 0.00 N ATOM 623 CA ASP A 40 5.992 -0.606 -3.468 1.00 0.00 C ATOM 624 C ASP A 40 6.424 -1.510 -2.316 1.00 0.00 C ATOM 625 O ASP A 40 6.626 -2.710 -2.500 1.00 0.00 O ATOM 626 CB ASP A 40 7.192 0.187 -3.987 1.00 0.00 C ATOM 627 CG ASP A 40 7.005 0.652 -5.418 1.00 0.00 C ATOM 628 OD1 ASP A 40 6.421 -0.111 -6.216 1.00 0.00 O ATOM 629 OD2 ASP A 40 7.441 1.777 -5.739 1.00 0.00 O ATOM 0 H ASP A 40 5.192 1.286 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 40 5.604 -1.232 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.356 1.053 -3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.087 -0.431 -3.923 1.00 0.00 H new ATOM 634 N GLN A 41 6.563 -0.924 -1.132 1.00 0.00 N ATOM 635 CA GLN A 41 6.972 -1.677 0.048 1.00 0.00 C ATOM 636 C GLN A 41 5.914 -2.706 0.431 1.00 0.00 C ATOM 637 O GLN A 41 6.233 -3.857 0.726 1.00 0.00 O ATOM 638 CB GLN A 41 7.226 -0.728 1.222 1.00 0.00 C ATOM 639 CG GLN A 41 8.587 -0.054 1.175 1.00 0.00 C ATOM 640 CD GLN A 41 9.503 -0.511 2.293 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.582 0.122 3.346 1.00 0.00 O ATOM 642 NE2 GLN A 41 10.203 -1.617 2.070 1.00 0.00 N ATOM 0 H GLN A 41 6.399 0.069 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 41 7.896 -2.204 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.451 0.038 1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.138 -1.285 2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.059 -0.263 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.456 1.026 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.107 -2.111 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.836 -1.973 2.786 1.00 0.00 H new ATOM 651 N GLU A 42 4.654 -2.283 0.424 1.00 0.00 N ATOM 652 CA GLU A 42 3.550 -3.169 0.772 1.00 0.00 C ATOM 653 C GLU A 42 3.362 -4.248 -0.290 1.00 0.00 C ATOM 654 O GLU A 42 2.968 -5.374 0.015 1.00 0.00 O ATOM 655 CB GLU A 42 2.256 -2.369 0.936 1.00 0.00 C ATOM 656 CG GLU A 42 1.954 -1.988 2.375 1.00 0.00 C ATOM 657 CD GLU A 42 0.471 -2.039 2.692 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.325 -1.510 1.890 1.00 0.00 O ATOM 659 OE2 GLU A 42 0.109 -2.606 3.745 1.00 0.00 O ATOM 0 H GLU A 42 4.373 -1.333 0.181 1.00 0.00 H new ATOM 0 HA GLU A 42 3.792 -3.653 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.321 -1.462 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.425 -2.954 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.489 -2.661 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.329 -0.983 2.567 1.00 0.00 H new ATOM 666 N TYR A 43 3.646 -3.896 -1.540 1.00 0.00 N ATOM 667 CA TYR A 43 3.506 -4.832 -2.649 1.00 0.00 C ATOM 668 C TYR A 43 4.569 -5.924 -2.578 1.00 0.00 C ATOM 669 O TYR A 43 4.279 -7.101 -2.783 1.00 0.00 O ATOM 670 CB TYR A 43 3.607 -4.092 -3.983 1.00 0.00 C ATOM 671 CG TYR A 43 2.268 -3.661 -4.540 1.00 0.00 C ATOM 672 CD1 TYR A 43 1.312 -3.071 -3.722 1.00 0.00 C ATOM 673 CD2 TYR A 43 1.961 -3.844 -5.882 1.00 0.00 C ATOM 674 CE1 TYR A 43 0.087 -2.676 -4.226 1.00 0.00 C ATOM 675 CE2 TYR A 43 0.739 -3.451 -6.395 1.00 0.00 C ATOM 676 CZ TYR A 43 -0.194 -2.868 -5.562 1.00 0.00 C ATOM 677 OH TYR A 43 -1.412 -2.475 -6.069 1.00 0.00 O ATOM 0 H TYR A 43 3.975 -2.969 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 43 2.525 -5.301 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.237 -3.212 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.103 -4.736 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.530 -2.919 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.689 -4.301 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.646 -2.220 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.516 -3.599 -7.441 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.449 -2.680 -7.027 1.00 0.00 H new ATOM 687 N GLU A 44 5.803 -5.522 -2.285 1.00 0.00 N ATOM 688 CA GLU A 44 6.910 -6.465 -2.187 1.00 0.00 C ATOM 689 C GLU A 44 6.745 -7.373 -0.971 1.00 0.00 C ATOM 690 O GLU A 44 6.897 -8.591 -1.069 1.00 0.00 O ATOM 691 CB GLU A 44 8.241 -5.716 -2.100 1.00 0.00 C ATOM 692 CG GLU A 44 9.453 -6.631 -2.053 1.00 0.00 C ATOM 693 CD GLU A 44 9.708 -7.330 -3.375 1.00 0.00 C ATOM 694 OE1 GLU A 44 9.552 -6.680 -4.429 1.00 0.00 O ATOM 695 OE2 GLU A 44 10.064 -8.527 -3.354 1.00 0.00 O ATOM 0 H GLU A 44 6.060 -4.550 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 44 6.907 -7.084 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.331 -5.052 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.237 -5.087 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.333 -6.049 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.309 -7.378 -1.273 1.00 0.00 H new ATOM 702 N ILE A 45 6.433 -6.772 0.170 1.00 0.00 N ATOM 703 CA ILE A 45 6.246 -7.525 1.405 1.00 0.00 C ATOM 704 C ILE A 45 5.072 -8.490 1.287 1.00 0.00 C ATOM 705 O ILE A 45 5.168 -9.652 1.684 1.00 0.00 O ATOM 706 CB ILE A 45 6.009 -6.591 2.605 1.00 0.00 C ATOM 707 CG1 ILE A 45 7.200 -5.647 2.788 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.770 -7.402 3.869 1.00 0.00 C ATOM 709 CD1 ILE A 45 6.857 -4.378 3.535 1.00 0.00 C ATOM 0 H ILE A 45 6.304 -5.765 0.267 1.00 0.00 H new ATOM 0 HA ILE A 45 7.163 -8.090 1.571 1.00 0.00 H new ATOM 0 HB ILE A 45 5.121 -5.991 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.990 -6.172 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.599 -5.385 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.604 -6.727 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.894 -8.036 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.641 -8.025 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.749 -3.758 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.089 -3.831 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.486 -4.630 4.528 1.00 0.00 H new ATOM 721 N GLU A 46 3.964 -8.003 0.737 1.00 0.00 N ATOM 722 CA GLU A 46 2.771 -8.824 0.566 1.00 0.00 C ATOM 723 C GLU A 46 3.041 -9.983 -0.389 1.00 0.00 C ATOM 724 O GLU A 46 2.703 -11.131 -0.101 1.00 0.00 O ATOM 725 CB GLU A 46 1.612 -7.974 0.040 1.00 0.00 C ATOM 726 CG GLU A 46 0.940 -7.132 1.111 1.00 0.00 C ATOM 727 CD GLU A 46 0.004 -7.940 1.989 1.00 0.00 C ATOM 728 OE1 GLU A 46 -0.090 -9.168 1.781 1.00 0.00 O ATOM 729 OE2 GLU A 46 -0.635 -7.346 2.882 1.00 0.00 O ATOM 0 H GLU A 46 3.868 -7.044 0.402 1.00 0.00 H new ATOM 0 HA GLU A 46 2.500 -9.234 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.982 -7.317 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.869 -8.629 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.704 -6.666 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.381 -6.326 0.636 1.00 0.00 H new ATOM 736 N LYS A 47 3.650 -9.674 -1.528 1.00 0.00 N ATOM 737 CA LYS A 47 3.967 -10.687 -2.527 1.00 0.00 C ATOM 738 C LYS A 47 4.863 -11.772 -1.937 1.00 0.00 C ATOM 739 O LYS A 47 4.609 -12.964 -2.110 1.00 0.00 O ATOM 740 CB LYS A 47 4.653 -10.046 -3.736 1.00 0.00 C ATOM 741 CG LYS A 47 5.044 -11.042 -4.813 1.00 0.00 C ATOM 742 CD LYS A 47 5.398 -10.345 -6.116 1.00 0.00 C ATOM 743 CE LYS A 47 6.050 -11.303 -7.101 1.00 0.00 C ATOM 744 NZ LYS A 47 5.049 -11.930 -8.009 1.00 0.00 N ATOM 0 H LYS A 47 3.934 -8.728 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 47 3.033 -11.147 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.986 -9.300 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.546 -9.519 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.895 -11.632 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.222 -11.737 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.497 -9.922 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.074 -9.514 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.792 -10.767 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.582 -12.081 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.532 -12.576 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.356 -12.463 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.559 -11.189 -8.550 1.00 0.00 H new ATOM 758 N THR A 48 5.912 -11.350 -1.237 1.00 0.00 N ATOM 759 CA THR A 48 6.845 -12.285 -0.621 1.00 0.00 C ATOM 760 C THR A 48 6.154 -13.129 0.444 1.00 0.00 C ATOM 761 O THR A 48 6.422 -14.322 0.574 1.00 0.00 O ATOM 762 CB THR A 48 8.038 -11.549 0.016 1.00 0.00 C ATOM 763 OG1 THR A 48 8.653 -10.686 -0.946 1.00 0.00 O ATOM 764 CG2 THR A 48 9.065 -12.540 0.545 1.00 0.00 C ATOM 0 H THR A 48 6.136 -10.367 -1.083 1.00 0.00 H new ATOM 0 HA THR A 48 7.212 -12.936 -1.415 1.00 0.00 H new ATOM 0 HB THR A 48 7.666 -10.955 0.850 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.178 -9.829 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.899 -11.997 0.990 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.602 -13.176 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.431 -13.157 -0.275 1.00 0.00 H new ATOM 772 N ASN A 49 5.264 -12.501 1.205 1.00 0.00 N ATOM 773 CA ASN A 49 4.535 -13.196 2.260 1.00 0.00 C ATOM 774 C ASN A 49 3.661 -14.304 1.679 1.00 0.00 C ATOM 775 O ASN A 49 3.637 -15.422 2.194 1.00 0.00 O ATOM 776 CB ASN A 49 3.669 -12.208 3.046 1.00 0.00 C ATOM 777 CG ASN A 49 2.674 -12.906 3.952 1.00 0.00 C ATOM 778 OD1 ASN A 49 1.479 -12.605 3.930 1.00 0.00 O ATOM 779 ND2 ASN A 49 3.162 -13.843 4.756 1.00 0.00 N ATOM 0 H ASN A 49 5.030 -11.513 1.111 1.00 0.00 H new ATOM 0 HA ASN A 49 5.263 -13.647 2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.311 -11.563 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.132 -11.565 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.540 -14.346 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.159 -14.060 4.741 1.00 0.00 H new ATOM 786 N ILE A 50 2.948 -13.985 0.604 1.00 0.00 N ATOM 787 CA ILE A 50 2.076 -14.954 -0.048 1.00 0.00 C ATOM 788 C ILE A 50 2.882 -16.084 -0.677 1.00 0.00 C ATOM 789 O ILE A 50 2.536 -17.258 -0.545 1.00 0.00 O ATOM 790 CB ILE A 50 1.209 -14.290 -1.134 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.360 -13.171 -0.527 1.00 0.00 C ATOM 792 CG2 ILE A 50 0.323 -15.325 -1.811 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.179 -12.197 -1.552 1.00 0.00 C ATOM 0 H ILE A 50 2.957 -13.064 0.166 1.00 0.00 H new ATOM 0 HA ILE A 50 1.425 -15.363 0.725 1.00 0.00 H new ATOM 0 HB ILE A 50 1.867 -13.855 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.475 -13.613 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.960 -12.625 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.284 -14.840 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.946 -16.091 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.329 -15.787 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.771 -11.431 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.651 -11.727 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.806 -12.730 -2.266 1.00 0.00 H new ATOM 805 N VAL A 51 3.963 -15.722 -1.362 1.00 0.00 N ATOM 806 CA VAL A 51 4.822 -16.706 -2.010 1.00 0.00 C ATOM 807 C VAL A 51 5.492 -17.612 -0.983 1.00 0.00 C ATOM 808 O VAL A 51 5.602 -18.821 -1.185 1.00 0.00 O ATOM 809 CB VAL A 51 5.910 -16.026 -2.864 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.812 -17.067 -3.507 1.00 0.00 C ATOM 811 CG2 VAL A 51 5.276 -15.133 -3.920 1.00 0.00 C ATOM 0 H VAL A 51 4.264 -14.755 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 51 4.183 -17.306 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 51 6.522 -15.402 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.574 -16.568 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.293 -17.662 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.217 -17.719 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.058 -14.660 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.639 -15.734 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.676 -14.364 -3.434 1.00 0.00 H new ATOM 821 N ARG A 52 5.937 -17.019 0.120 1.00 0.00 N ATOM 822 CA ARG A 52 6.597 -17.773 1.180 1.00 0.00 C ATOM 823 C ARG A 52 5.622 -18.739 1.848 1.00 0.00 C ATOM 824 O ARG A 52 5.934 -19.912 2.047 1.00 0.00 O ATOM 825 CB ARG A 52 7.184 -16.821 2.223 1.00 0.00 C ATOM 826 CG ARG A 52 8.627 -16.432 1.949 1.00 0.00 C ATOM 827 CD ARG A 52 9.285 -15.828 3.180 1.00 0.00 C ATOM 828 NE ARG A 52 10.608 -16.394 3.427 1.00 0.00 N ATOM 829 CZ ARG A 52 11.477 -15.881 4.293 1.00 0.00 C ATOM 830 NH1 ARG A 52 11.162 -14.798 4.989 1.00 0.00 N ATOM 831 NH2 ARG A 52 12.662 -16.452 4.462 1.00 0.00 N ATOM 0 H ARG A 52 5.853 -16.019 0.303 1.00 0.00 H new ATOM 0 HA ARG A 52 7.405 -18.351 0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.574 -15.918 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.123 -17.290 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.187 -17.311 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.662 -15.716 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.371 -14.749 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.650 -15.997 4.050 1.00 0.00 H new ATOM 0 HE ARG A 52 10.880 -17.228 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.252 -14.356 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.830 -14.406 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.907 -17.285 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.328 -16.058 5.126 1.00 0.00 H new ATOM 845 N ASN A 53 4.441 -18.236 2.192 1.00 0.00 N ATOM 846 CA ASN A 53 3.421 -19.053 2.838 1.00 0.00 C ATOM 847 C ASN A 53 2.960 -20.178 1.916 1.00 0.00 C ATOM 848 O ASN A 53 2.766 -21.312 2.353 1.00 0.00 O ATOM 849 CB ASN A 53 2.226 -18.188 3.243 1.00 0.00 C ATOM 850 CG ASN A 53 1.242 -18.935 4.123 1.00 0.00 C ATOM 851 OD1 ASN A 53 1.359 -18.928 5.349 1.00 0.00 O ATOM 852 ND2 ASN A 53 0.268 -19.587 3.500 1.00 0.00 N ATOM 0 H ASN A 53 4.167 -17.266 2.034 1.00 0.00 H new ATOM 0 HA ASN A 53 3.859 -19.497 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.583 -17.304 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.714 -17.838 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.422 -20.110 4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.210 -19.565 2.482 1.00 0.00 H new ATOM 859 N GLU A 54 2.787 -19.855 0.638 1.00 0.00 N ATOM 860 CA GLU A 54 2.349 -20.838 -0.345 1.00 0.00 C ATOM 861 C GLU A 54 3.401 -21.928 -0.531 1.00 0.00 C ATOM 862 O GLU A 54 3.085 -23.119 -0.544 1.00 0.00 O ATOM 863 CB GLU A 54 2.061 -20.160 -1.686 1.00 0.00 C ATOM 864 CG GLU A 54 1.570 -21.115 -2.759 1.00 0.00 C ATOM 865 CD GLU A 54 2.286 -20.923 -4.083 1.00 0.00 C ATOM 866 OE1 GLU A 54 2.276 -19.789 -4.605 1.00 0.00 O ATOM 867 OE2 GLU A 54 2.857 -21.908 -4.596 1.00 0.00 O ATOM 0 H GLU A 54 2.943 -18.921 0.260 1.00 0.00 H new ATOM 0 HA GLU A 54 1.433 -21.299 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.314 -19.381 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.968 -19.668 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.711 -22.141 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.499 -20.972 -2.905 1.00 0.00 H new ATOM 874 N THR A 55 4.656 -21.513 -0.675 1.00 0.00 N ATOM 875 CA THR A 55 5.755 -22.451 -0.862 1.00 0.00 C ATOM 876 C THR A 55 5.896 -23.380 0.339 1.00 0.00 C ATOM 877 O THR A 55 6.076 -24.587 0.184 1.00 0.00 O ATOM 878 CB THR A 55 7.090 -21.717 -1.087 1.00 0.00 C ATOM 879 OG1 THR A 55 6.990 -20.857 -2.228 1.00 0.00 O ATOM 880 CG2 THR A 55 8.226 -22.707 -1.289 1.00 0.00 C ATOM 0 H THR A 55 4.936 -20.532 -0.666 1.00 0.00 H new ATOM 0 HA THR A 55 5.519 -23.040 -1.748 1.00 0.00 H new ATOM 0 HB THR A 55 7.304 -21.120 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.398 -20.105 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.158 -22.164 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.319 -23.340 -0.406 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.017 -23.328 -2.160 1.00 0.00 H new ATOM 888 N ASN A 56 5.810 -22.808 1.536 1.00 0.00 N ATOM 889 CA ASN A 56 5.928 -23.586 2.764 1.00 0.00 C ATOM 890 C ASN A 56 4.745 -24.538 2.920 1.00 0.00 C ATOM 891 O ASN A 56 4.902 -25.668 3.380 1.00 0.00 O ATOM 892 CB ASN A 56 6.011 -22.656 3.975 1.00 0.00 C ATOM 893 CG ASN A 56 5.777 -23.387 5.283 1.00 0.00 C ATOM 894 OD1 ASN A 56 6.678 -24.034 5.817 1.00 0.00 O ATOM 895 ND2 ASN A 56 4.560 -23.287 5.806 1.00 0.00 N ATOM 0 H ASN A 56 5.659 -21.810 1.681 1.00 0.00 H new ATOM 0 HA ASN A 56 6.842 -24.177 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.992 -22.181 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.274 -21.860 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.342 -23.757 6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.843 -22.740 5.329 1.00 0.00 H new ATOM 902 N ASN A 57 3.562 -24.072 2.534 1.00 0.00 N ATOM 903 CA ASN A 57 2.353 -24.881 2.632 1.00 0.00 C ATOM 904 C ASN A 57 2.447 -26.110 1.732 1.00 0.00 C ATOM 905 O ASN A 57 2.303 -27.243 2.194 1.00 0.00 O ATOM 906 CB ASN A 57 1.126 -24.050 2.251 1.00 0.00 C ATOM 907 CG ASN A 57 -0.167 -24.663 2.754 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.810 -24.129 3.658 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.552 -25.792 2.171 1.00 0.00 N ATOM 0 H ASN A 57 3.415 -23.138 2.150 1.00 0.00 H new ATOM 0 HA ASN A 57 2.252 -25.215 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.231 -23.045 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.080 -23.951 1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.412 -26.252 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.012 -26.199 1.425 1.00 0.00 H new ATOM 916 N ILE A 58 2.691 -25.878 0.447 1.00 0.00 N ATOM 917 CA ILE A 58 2.806 -26.966 -0.517 1.00 0.00 C ATOM 918 C ILE A 58 3.964 -27.893 -0.164 1.00 0.00 C ATOM 919 O ILE A 58 3.831 -29.116 -0.212 1.00 0.00 O ATOM 920 CB ILE A 58 3.009 -26.432 -1.947 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.848 -25.517 -2.342 1.00 0.00 C ATOM 922 CG2 ILE A 58 3.139 -27.586 -2.930 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.504 -26.212 -2.342 1.00 0.00 C ATOM 0 H ILE A 58 2.813 -24.947 0.049 1.00 0.00 H new ATOM 0 HA ILE A 58 1.871 -27.524 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 58 3.931 -25.851 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.811 -24.672 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.038 -25.111 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.282 -27.192 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.995 -28.202 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.233 -28.191 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.272 -25.503 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.522 -27.040 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.292 -26.594 -1.344 1.00 0.00 H new ATOM 935 N ASP A 59 5.100 -27.302 0.193 1.00 0.00 N ATOM 936 CA ASP A 59 6.281 -28.075 0.559 1.00 0.00 C ATOM 937 C ASP A 59 6.012 -28.930 1.792 1.00 0.00 C ATOM 938 O ASP A 59 6.422 -30.088 1.859 1.00 0.00 O ATOM 939 CB ASP A 59 7.466 -27.142 0.817 1.00 0.00 C ATOM 940 CG ASP A 59 8.620 -27.849 1.501 1.00 0.00 C ATOM 941 OD1 ASP A 59 8.525 -28.096 2.721 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.619 -28.155 0.816 1.00 0.00 O ATOM 0 H ASP A 59 5.227 -26.291 0.237 1.00 0.00 H new ATOM 0 HA ASP A 59 6.523 -28.737 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.809 -26.724 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.139 -26.305 1.434 1.00 0.00 H new ATOM 947 N GLY A 60 5.320 -28.350 2.769 1.00 0.00 N ATOM 948 CA GLY A 60 5.009 -29.073 3.988 1.00 0.00 C ATOM 949 C GLY A 60 4.001 -30.182 3.763 1.00 0.00 C ATOM 950 O GLY A 60 4.098 -31.251 4.364 1.00 0.00 O ATOM 0 H GLY A 60 4.970 -27.393 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.925 -29.497 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.619 -28.377 4.730 1.00 0.00 H new ATOM 954 N ASN A 61 3.026 -29.927 2.894 1.00 0.00 N ATOM 955 CA ASN A 61 1.995 -30.912 2.593 1.00 0.00 C ATOM 956 C ASN A 61 2.582 -32.105 1.845 1.00 0.00 C ATOM 957 O ASN A 61 2.301 -33.258 2.172 1.00 0.00 O ATOM 958 CB ASN A 61 0.878 -30.275 1.762 1.00 0.00 C ATOM 959 CG ASN A 61 -0.478 -30.392 2.430 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.834 -29.582 3.285 1.00 0.00 O ATOM 961 ND2 ASN A 61 -1.243 -31.406 2.041 1.00 0.00 N ATOM 0 H ASN A 61 2.930 -29.047 2.387 1.00 0.00 H new ATOM 0 HA ASN A 61 1.581 -31.266 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.108 -29.223 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.840 -30.752 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.166 -31.537 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.907 -32.054 1.328 1.00 0.00 H new ATOM 968 N PHE A 62 3.399 -31.819 0.836 1.00 0.00 N ATOM 969 CA PHE A 62 4.027 -32.867 0.039 1.00 0.00 C ATOM 970 C PHE A 62 5.062 -33.629 0.862 1.00 0.00 C ATOM 971 O PHE A 62 5.176 -34.851 0.762 1.00 0.00 O ATOM 972 CB PHE A 62 4.688 -32.267 -1.203 1.00 0.00 C ATOM 973 CG PHE A 62 3.723 -31.989 -2.320 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.628 -31.164 -2.119 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.910 -32.553 -3.572 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.738 -30.907 -3.144 1.00 0.00 C ATOM 977 CE2 PHE A 62 3.024 -32.300 -4.602 1.00 0.00 C ATOM 978 CZ PHE A 62 1.937 -31.475 -4.387 1.00 0.00 C ATOM 0 H PHE A 62 3.642 -30.870 0.551 1.00 0.00 H new ATOM 0 HA PHE A 62 3.251 -33.565 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.188 -31.339 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.459 -32.950 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.468 -30.716 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.759 -33.198 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.888 -30.263 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.181 -32.746 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.243 -31.274 -5.190 1.00 0.00 H new ATOM 988 N LYS A 63 5.816 -32.898 1.677 1.00 0.00 N ATOM 989 CA LYS A 63 6.842 -33.502 2.517 1.00 0.00 C ATOM 990 C LYS A 63 6.215 -34.392 3.586 1.00 0.00 C ATOM 991 O LYS A 63 6.703 -35.489 3.857 1.00 0.00 O ATOM 992 CB LYS A 63 7.693 -32.416 3.180 1.00 0.00 C ATOM 993 CG LYS A 63 8.675 -32.953 4.205 1.00 0.00 C ATOM 994 CD LYS A 63 9.764 -31.940 4.520 1.00 0.00 C ATOM 995 CE LYS A 63 9.439 -31.142 5.773 1.00 0.00 C ATOM 996 NZ LYS A 63 10.496 -31.283 6.811 1.00 0.00 N ATOM 0 H LYS A 63 5.735 -31.886 1.773 1.00 0.00 H new ATOM 0 HA LYS A 63 7.479 -34.118 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.244 -31.877 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.034 -31.695 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.142 -33.212 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.128 -33.871 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.715 -32.456 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.885 -31.261 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.323 -30.090 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.485 -31.477 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.237 -30.724 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.589 -32.284 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.402 -30.940 6.433 1.00 0.00 H new ATOM 1010 N SER A 64 5.131 -33.913 4.188 1.00 0.00 N ATOM 1011 CA SER A 64 4.439 -34.665 5.228 1.00 0.00 C ATOM 1012 C SER A 64 3.761 -35.900 4.644 1.00 0.00 C ATOM 1013 O SER A 64 3.826 -36.989 5.217 1.00 0.00 O ATOM 1014 CB SER A 64 3.403 -33.780 5.923 1.00 0.00 C ATOM 1015 OG SER A 64 2.310 -33.503 5.064 1.00 0.00 O ATOM 0 H SER A 64 4.713 -33.008 3.973 1.00 0.00 H new ATOM 0 HA SER A 64 5.178 -34.990 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.044 -34.275 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.869 -32.846 6.236 1.00 0.00 H new ATOM 0 HG SER A 64 2.641 -33.340 4.156 1.00 0.00 H new ATOM 1021 N LYS A 65 3.107 -35.724 3.501 1.00 0.00 N ATOM 1022 CA LYS A 65 2.416 -36.823 2.837 1.00 0.00 C ATOM 1023 C LYS A 65 3.404 -37.896 2.390 1.00 0.00 C ATOM 1024 O LYS A 65 3.144 -39.092 2.533 1.00 0.00 O ATOM 1025 CB LYS A 65 1.631 -36.304 1.630 1.00 0.00 C ATOM 1026 CG LYS A 65 0.229 -35.832 1.975 1.00 0.00 C ATOM 1027 CD LYS A 65 -0.586 -35.544 0.725 1.00 0.00 C ATOM 1028 CE LYS A 65 -1.998 -36.098 0.840 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.951 -35.375 -0.045 1.00 0.00 N ATOM 0 H LYS A 65 3.041 -34.830 3.015 1.00 0.00 H new ATOM 0 HA LYS A 65 1.722 -37.267 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.181 -35.480 1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.566 -37.094 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.275 -36.592 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.287 -34.932 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.629 -34.468 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.092 -35.982 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.995 -37.157 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.334 -36.023 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.902 -35.782 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.974 -34.369 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.645 -35.468 -1.034 1.00 0.00 H new ATOM 1043 N LEU A 66 4.537 -37.462 1.850 1.00 0.00 N ATOM 1044 CA LEU A 66 5.565 -38.386 1.383 1.00 0.00 C ATOM 1045 C LEU A 66 6.188 -39.143 2.551 1.00 0.00 C ATOM 1046 O LEU A 66 6.346 -40.363 2.502 1.00 0.00 O ATOM 1047 CB LEU A 66 6.649 -37.628 0.615 1.00 0.00 C ATOM 1048 CG LEU A 66 6.433 -37.490 -0.892 1.00 0.00 C ATOM 1049 CD1 LEU A 66 7.355 -36.427 -1.468 1.00 0.00 C ATOM 1050 CD2 LEU A 66 6.656 -38.826 -1.587 1.00 0.00 C ATOM 0 H LEU A 66 4.767 -36.476 1.725 1.00 0.00 H new ATOM 0 HA LEU A 66 5.094 -39.108 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.737 -36.629 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.602 -38.131 0.781 1.00 0.00 H new ATOM 0 HG LEU A 66 5.402 -37.180 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.187 -36.343 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.147 -35.469 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.392 -36.706 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.498 -38.709 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.676 -39.165 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.954 -39.562 -1.195 1.00 0.00 H new ATOM 1062 N LYS A 67 6.538 -38.412 3.604 1.00 0.00 N ATOM 1063 CA LYS A 67 7.140 -39.013 4.788 1.00 0.00 C ATOM 1064 C LYS A 67 6.174 -39.986 5.456 1.00 0.00 C ATOM 1065 O LYS A 67 6.552 -41.097 5.827 1.00 0.00 O ATOM 1066 CB LYS A 67 7.556 -37.927 5.782 1.00 0.00 C ATOM 1067 CG LYS A 67 8.940 -37.358 5.520 1.00 0.00 C ATOM 1068 CD LYS A 67 9.420 -36.502 6.679 1.00 0.00 C ATOM 1069 CE LYS A 67 10.207 -37.321 7.690 1.00 0.00 C ATOM 1070 NZ LYS A 67 9.718 -37.105 9.081 1.00 0.00 N ATOM 0 H LYS A 67 6.415 -37.401 3.661 1.00 0.00 H new ATOM 0 HA LYS A 67 8.025 -39.566 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.827 -37.117 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.527 -38.339 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.644 -38.173 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.922 -36.761 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.044 -35.693 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.564 -36.041 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.131 -38.379 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.262 -37.054 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.280 -37.681 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.814 -36.100 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.718 -37.383 9.145 1.00 0.00 H new ATOM 1084 N LYS A 68 4.923 -39.561 5.605 1.00 0.00 N ATOM 1085 CA LYS A 68 3.901 -40.395 6.226 1.00 0.00 C ATOM 1086 C LYS A 68 3.610 -41.625 5.372 1.00 0.00 C ATOM 1087 O LYS A 68 3.494 -42.737 5.887 1.00 0.00 O ATOM 1088 CB LYS A 68 2.615 -39.591 6.434 1.00 0.00 C ATOM 1089 CG LYS A 68 1.539 -40.351 7.190 1.00 0.00 C ATOM 1090 CD LYS A 68 0.477 -39.414 7.741 1.00 0.00 C ATOM 1091 CE LYS A 68 0.636 -39.211 9.239 1.00 0.00 C ATOM 1092 NZ LYS A 68 -0.010 -40.304 10.018 1.00 0.00 N ATOM 0 H LYS A 68 4.593 -38.644 5.304 1.00 0.00 H new ATOM 0 HA LYS A 68 4.277 -40.726 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.852 -38.676 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.222 -39.292 5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.073 -41.080 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.993 -40.909 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.541 -38.451 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.512 -39.820 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.696 -39.164 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.199 -38.254 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.120 -40.129 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.026 -40.332 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.424 -41.214 9.765 1.00 0.00 H new ATOM 1106 N ALA A 69 3.496 -41.419 4.064 1.00 0.00 N ATOM 1107 CA ALA A 69 3.223 -42.512 3.139 1.00 0.00 C ATOM 1108 C ALA A 69 4.251 -43.628 3.289 1.00 0.00 C ATOM 1109 O ALA A 69 3.909 -44.811 3.248 1.00 0.00 O ATOM 1110 CB ALA A 69 3.204 -41.999 1.707 1.00 0.00 C ATOM 0 H ALA A 69 3.589 -40.505 3.621 1.00 0.00 H new ATOM 0 HA ALA A 69 2.242 -42.922 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.999 -42.826 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.427 -41.242 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.172 -41.561 1.464 1.00 0.00 H new