USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 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 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -2.84 K(o=-2.8,f=-6.4!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0.28 (180deg=0.163) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0402 (180deg=-0.261) 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 78:sc= 0.983 USER MOD Single : A 49 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 61 ASN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0305 (180deg=-0.226) USER MOD Single : A 64 SER OG : rot 180:sc= 0 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 8.636 42.139 -9.001 1.00 0.00 N ATOM 140 CA ASN A 11 9.107 40.766 -8.861 1.00 0.00 C ATOM 141 C ASN A 11 8.154 39.951 -7.992 1.00 0.00 C ATOM 142 O ASN A 11 8.382 38.767 -7.747 1.00 0.00 O ATOM 143 CB ASN A 11 10.512 40.746 -8.256 1.00 0.00 C ATOM 144 CG ASN A 11 11.598 40.733 -9.314 1.00 0.00 C ATOM 145 OD1 ASN A 11 11.838 39.713 -9.960 1.00 0.00 O ATOM 146 ND2 ASN A 11 12.260 41.869 -9.496 1.00 0.00 N ATOM 0 HA ASN A 11 9.140 40.316 -9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.642 41.620 -7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.618 39.867 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.002 41.921 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.027 42.690 -8.937 1.00 0.00 H new ATOM 153 N GLN A 12 7.087 40.593 -7.530 1.00 0.00 N ATOM 154 CA GLN A 12 6.100 39.927 -6.688 1.00 0.00 C ATOM 155 C GLN A 12 5.550 38.681 -7.376 1.00 0.00 C ATOM 156 O GLN A 12 5.387 37.635 -6.749 1.00 0.00 O ATOM 157 CB GLN A 12 4.957 40.886 -6.351 1.00 0.00 C ATOM 158 CG GLN A 12 4.273 41.472 -7.575 1.00 0.00 C ATOM 159 CD GLN A 12 3.002 40.733 -7.944 1.00 0.00 C ATOM 160 OE1 GLN A 12 2.806 39.581 -7.559 1.00 0.00 O ATOM 161 NE2 GLN A 12 2.130 41.395 -8.697 1.00 0.00 N ATOM 0 H GLN A 12 6.883 41.573 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 12 6.592 39.622 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.217 40.358 -5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.345 41.699 -5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.038 42.520 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.962 41.445 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.334 42.349 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.257 40.949 -8.978 1.00 0.00 H new ATOM 170 N VAL A 13 5.264 38.802 -8.668 1.00 0.00 N ATOM 171 CA VAL A 13 4.733 37.687 -9.441 1.00 0.00 C ATOM 172 C VAL A 13 5.761 36.568 -9.569 1.00 0.00 C ATOM 173 O VAL A 13 5.440 35.393 -9.391 1.00 0.00 O ATOM 174 CB VAL A 13 4.300 38.136 -10.849 1.00 0.00 C ATOM 175 CG1 VAL A 13 3.756 36.956 -11.643 1.00 0.00 C ATOM 176 CG2 VAL A 13 3.268 39.250 -10.760 1.00 0.00 C ATOM 0 H VAL A 13 5.391 39.662 -9.201 1.00 0.00 H new ATOM 0 HA VAL A 13 3.861 37.315 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 13 5.174 38.523 -11.372 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.455 37.293 -12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.529 36.194 -11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.894 36.536 -11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.974 39.555 -11.764 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.392 38.892 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.697 40.102 -10.234 1.00 0.00 H new ATOM 186 N ASN A 14 6.997 36.941 -9.880 1.00 0.00 N ATOM 187 CA ASN A 14 8.074 35.969 -10.033 1.00 0.00 C ATOM 188 C ASN A 14 8.273 35.173 -8.747 1.00 0.00 C ATOM 189 O ASN A 14 8.204 33.944 -8.748 1.00 0.00 O ATOM 190 CB ASN A 14 9.376 36.675 -10.417 1.00 0.00 C ATOM 191 CG ASN A 14 9.762 36.428 -11.862 1.00 0.00 C ATOM 192 OD1 ASN A 14 10.331 35.387 -12.195 1.00 0.00 O ATOM 193 ND2 ASN A 14 9.454 37.385 -12.730 1.00 0.00 N ATOM 0 H ASN A 14 7.279 37.910 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 14 7.796 35.277 -10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.268 37.747 -10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.179 36.331 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.689 37.274 -13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.983 38.231 -12.410 1.00 0.00 H new ATOM 200 N ASP A 15 8.521 35.882 -7.651 1.00 0.00 N ATOM 201 CA ASP A 15 8.730 35.243 -6.357 1.00 0.00 C ATOM 202 C ASP A 15 7.517 34.405 -5.964 1.00 0.00 C ATOM 203 O ASP A 15 7.658 33.284 -5.477 1.00 0.00 O ATOM 204 CB ASP A 15 9.008 36.296 -5.283 1.00 0.00 C ATOM 205 CG ASP A 15 10.395 36.161 -4.687 1.00 0.00 C ATOM 206 OD1 ASP A 15 11.321 35.763 -5.423 1.00 0.00 O ATOM 207 OD2 ASP A 15 10.554 36.452 -3.483 1.00 0.00 O ATOM 0 H ASP A 15 8.582 36.900 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 15 9.594 34.584 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.897 37.290 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.265 36.208 -4.491 1.00 0.00 H new ATOM 212 N GLU A 16 6.327 34.958 -6.177 1.00 0.00 N ATOM 213 CA GLU A 16 5.090 34.261 -5.842 1.00 0.00 C ATOM 214 C GLU A 16 5.025 32.905 -6.537 1.00 0.00 C ATOM 215 O GLU A 16 4.719 31.888 -5.912 1.00 0.00 O ATOM 216 CB GLU A 16 3.879 35.109 -6.238 1.00 0.00 C ATOM 217 CG GLU A 16 3.444 36.088 -5.162 1.00 0.00 C ATOM 218 CD GLU A 16 2.181 35.648 -4.448 1.00 0.00 C ATOM 219 OE1 GLU A 16 1.084 35.814 -5.023 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.289 35.137 -3.314 1.00 0.00 O ATOM 0 H GLU A 16 6.193 35.886 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 16 5.074 34.098 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.115 35.662 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.045 34.448 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.247 36.202 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.280 37.067 -5.612 1.00 0.00 H new ATOM 227 N LEU A 17 5.314 32.896 -7.834 1.00 0.00 N ATOM 228 CA LEU A 17 5.288 31.665 -8.616 1.00 0.00 C ATOM 229 C LEU A 17 6.401 30.719 -8.179 1.00 0.00 C ATOM 230 O LEU A 17 6.236 29.500 -8.194 1.00 0.00 O ATOM 231 CB LEU A 17 5.426 31.980 -10.106 1.00 0.00 C ATOM 232 CG LEU A 17 4.148 31.866 -10.937 1.00 0.00 C ATOM 233 CD1 LEU A 17 3.870 33.168 -11.672 1.00 0.00 C ATOM 234 CD2 LEU A 17 4.254 30.709 -11.921 1.00 0.00 C ATOM 0 H LEU A 17 5.569 33.728 -8.366 1.00 0.00 H new ATOM 0 HA LEU A 17 4.330 31.174 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.813 32.994 -10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.173 31.310 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 17 3.315 31.669 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.956 33.067 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.750 33.975 -10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.704 33.396 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.336 30.642 -12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.098 30.877 -12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.405 29.778 -11.374 1.00 0.00 H new ATOM 246 N ASN A 18 7.537 31.290 -7.789 1.00 0.00 N ATOM 247 CA ASN A 18 8.679 30.498 -7.346 1.00 0.00 C ATOM 248 C ASN A 18 8.319 29.665 -6.120 1.00 0.00 C ATOM 249 O ASN A 18 8.402 28.437 -6.144 1.00 0.00 O ATOM 250 CB ASN A 18 9.865 31.409 -7.028 1.00 0.00 C ATOM 251 CG ASN A 18 10.998 30.666 -6.346 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.062 30.601 -5.118 1.00 0.00 O ATOM 253 ND2 ASN A 18 11.899 30.101 -7.141 1.00 0.00 N ATOM 0 H ASN A 18 7.691 32.298 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 18 8.957 29.821 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.232 31.858 -7.951 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.531 32.225 -6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.684 29.588 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.807 30.180 -8.154 1.00 0.00 H new ATOM 260 N LYS A 19 7.920 30.341 -5.048 1.00 0.00 N ATOM 261 CA LYS A 19 7.546 29.665 -3.812 1.00 0.00 C ATOM 262 C LYS A 19 6.338 28.759 -4.031 1.00 0.00 C ATOM 263 O LYS A 19 6.337 27.601 -3.617 1.00 0.00 O ATOM 264 CB LYS A 19 7.236 30.691 -2.719 1.00 0.00 C ATOM 265 CG LYS A 19 8.338 31.715 -2.516 1.00 0.00 C ATOM 266 CD LYS A 19 7.793 33.134 -2.540 1.00 0.00 C ATOM 267 CE LYS A 19 8.877 34.141 -2.891 1.00 0.00 C ATOM 268 NZ LYS A 19 10.058 34.021 -1.993 1.00 0.00 N ATOM 0 H LYS A 19 7.847 31.358 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 19 8.387 29.049 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.311 31.210 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.061 30.167 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.835 31.531 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.091 31.600 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.983 33.202 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.369 33.379 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.190 33.992 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.471 35.150 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.706 34.817 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.743 34.036 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.551 33.126 -2.186 1.00 0.00 H new ATOM 282 N MET A 20 5.313 29.295 -4.684 1.00 0.00 N ATOM 283 CA MET A 20 4.101 28.533 -4.960 1.00 0.00 C ATOM 284 C MET A 20 4.426 27.247 -5.713 1.00 0.00 C ATOM 285 O MET A 20 4.035 26.158 -5.296 1.00 0.00 O ATOM 286 CB MET A 20 3.115 29.377 -5.771 1.00 0.00 C ATOM 287 CG MET A 20 2.366 30.405 -4.939 1.00 0.00 C ATOM 288 SD MET A 20 0.755 29.812 -4.388 1.00 0.00 S ATOM 289 CE MET A 20 -0.202 31.325 -4.451 1.00 0.00 C ATOM 0 H MET A 20 5.297 30.254 -5.032 1.00 0.00 H new ATOM 0 HA MET A 20 3.644 28.269 -4.006 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.657 29.890 -6.566 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.394 28.716 -6.252 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.968 30.671 -4.070 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.233 31.314 -5.525 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.226 31.121 -4.137 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.242 32.064 -3.784 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.205 31.711 -5.470 1.00 0.00 H new ATOM 299 N GLN A 21 5.144 27.382 -6.823 1.00 0.00 N ATOM 300 CA GLN A 21 5.520 26.231 -7.634 1.00 0.00 C ATOM 301 C GLN A 21 6.308 25.218 -6.809 1.00 0.00 C ATOM 302 O GLN A 21 6.054 24.016 -6.876 1.00 0.00 O ATOM 303 CB GLN A 21 6.348 26.677 -8.840 1.00 0.00 C ATOM 304 CG GLN A 21 6.778 25.531 -9.741 1.00 0.00 C ATOM 305 CD GLN A 21 5.602 24.782 -10.335 1.00 0.00 C ATOM 306 OE1 GLN A 21 5.521 23.557 -10.245 1.00 0.00 O ATOM 307 NE2 GLN A 21 4.680 25.517 -10.948 1.00 0.00 N ATOM 0 H GLN A 21 5.477 28.277 -7.181 1.00 0.00 H new ATOM 0 HA GLN A 21 4.606 25.754 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.767 27.390 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.235 27.203 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.400 25.921 -10.547 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.395 24.837 -9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.787 26.530 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.866 25.068 -11.367 1.00 0.00 H new ATOM 316 N ALA A 22 7.266 25.712 -6.031 1.00 0.00 N ATOM 317 CA ALA A 22 8.089 24.852 -5.192 1.00 0.00 C ATOM 318 C ALA A 22 7.234 24.068 -4.202 1.00 0.00 C ATOM 319 O ALA A 22 7.403 22.860 -4.040 1.00 0.00 O ATOM 320 CB ALA A 22 9.132 25.676 -4.454 1.00 0.00 C ATOM 0 H ALA A 22 7.491 26.705 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 22 8.598 24.137 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.740 25.020 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.771 26.185 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.634 26.415 -3.826 1.00 0.00 H new ATOM 326 N PHE A 23 6.314 24.764 -3.542 1.00 0.00 N ATOM 327 CA PHE A 23 5.432 24.134 -2.566 1.00 0.00 C ATOM 328 C PHE A 23 4.605 23.028 -3.215 1.00 0.00 C ATOM 329 O PHE A 23 4.481 21.930 -2.670 1.00 0.00 O ATOM 330 CB PHE A 23 4.506 25.175 -1.936 1.00 0.00 C ATOM 331 CG PHE A 23 5.154 25.968 -0.838 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.712 25.330 0.258 1.00 0.00 C ATOM 333 CD2 PHE A 23 5.205 27.351 -0.902 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.310 26.058 1.271 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.802 28.084 0.107 1.00 0.00 C ATOM 336 CZ PHE A 23 6.354 27.436 1.195 1.00 0.00 C ATOM 0 H PHE A 23 6.160 25.765 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 23 6.052 23.691 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.160 25.859 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.625 24.672 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.680 24.252 0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.773 27.862 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.742 25.549 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.837 29.162 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.819 28.006 1.985 1.00 0.00 H new ATOM 346 N ILE A 24 4.044 23.324 -4.382 1.00 0.00 N ATOM 347 CA ILE A 24 3.230 22.355 -5.106 1.00 0.00 C ATOM 348 C ILE A 24 4.078 21.196 -5.617 1.00 0.00 C ATOM 349 O ILE A 24 3.593 20.073 -5.760 1.00 0.00 O ATOM 350 CB ILE A 24 2.503 23.008 -6.297 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.582 24.127 -5.808 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.713 21.964 -7.072 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.448 23.639 -4.935 1.00 0.00 C ATOM 0 H ILE A 24 4.138 24.227 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 24 2.489 21.977 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 24 3.247 23.442 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.172 24.854 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.167 24.648 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.205 22.441 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.392 21.198 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.975 21.504 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.164 24.487 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.166 22.934 -5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.855 23.144 -4.053 1.00 0.00 H new ATOM 365 N ARG A 25 5.350 21.474 -5.887 1.00 0.00 N ATOM 366 CA ARG A 25 6.267 20.455 -6.381 1.00 0.00 C ATOM 367 C ARG A 25 6.561 19.418 -5.301 1.00 0.00 C ATOM 368 O ARG A 25 6.487 18.214 -5.544 1.00 0.00 O ATOM 369 CB ARG A 25 7.572 21.098 -6.853 1.00 0.00 C ATOM 370 CG ARG A 25 7.465 21.764 -8.216 1.00 0.00 C ATOM 371 CD ARG A 25 7.650 20.759 -9.342 1.00 0.00 C ATOM 372 NE ARG A 25 7.824 21.414 -10.637 1.00 0.00 N ATOM 373 CZ ARG A 25 7.905 20.756 -11.787 1.00 0.00 C ATOM 374 NH1 ARG A 25 7.827 19.433 -11.806 1.00 0.00 N ATOM 375 NH2 ARG A 25 8.063 21.423 -12.924 1.00 0.00 N ATOM 0 H ARG A 25 5.768 22.397 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 25 5.792 19.953 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.888 21.840 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.350 20.336 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.491 22.245 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.217 22.548 -8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.518 20.135 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.785 20.098 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 25 7.887 22.432 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.704 18.917 -10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.890 18.931 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.122 22.441 -12.914 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.125 20.917 -13.808 1.00 0.00 H new ATOM 389 N LYS A 26 6.893 19.895 -4.106 1.00 0.00 N ATOM 390 CA LYS A 26 7.197 19.011 -2.986 1.00 0.00 C ATOM 391 C LYS A 26 5.940 18.295 -2.502 1.00 0.00 C ATOM 392 O LYS A 26 5.974 17.106 -2.187 1.00 0.00 O ATOM 393 CB LYS A 26 7.819 19.807 -1.836 1.00 0.00 C ATOM 394 CG LYS A 26 8.192 18.951 -0.638 1.00 0.00 C ATOM 395 CD LYS A 26 7.462 19.399 0.616 1.00 0.00 C ATOM 396 CE LYS A 26 8.238 19.037 1.873 1.00 0.00 C ATOM 397 NZ LYS A 26 7.546 19.504 3.107 1.00 0.00 N ATOM 0 H LYS A 26 6.958 20.889 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 26 7.911 18.262 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.711 20.318 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.117 20.578 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.953 17.908 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.268 19.004 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.306 20.477 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.476 18.935 0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.371 17.956 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.233 19.479 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.107 19.238 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.441 20.538 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.606 19.062 3.166 1.00 0.00 H new ATOM 411 N GLU A 27 4.831 19.028 -2.445 1.00 0.00 N ATOM 412 CA GLU A 27 3.565 18.461 -2.000 1.00 0.00 C ATOM 413 C GLU A 27 3.081 17.382 -2.964 1.00 0.00 C ATOM 414 O GLU A 27 2.691 16.292 -2.548 1.00 0.00 O ATOM 415 CB GLU A 27 2.505 19.559 -1.874 1.00 0.00 C ATOM 416 CG GLU A 27 1.160 19.053 -1.380 1.00 0.00 C ATOM 417 CD GLU A 27 0.042 20.051 -1.610 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.266 21.032 -2.349 1.00 0.00 O ATOM 419 OE2 GLU A 27 -1.057 19.851 -1.052 1.00 0.00 O ATOM 0 H GLU A 27 4.785 20.014 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 27 3.725 18.005 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.868 20.326 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.370 20.035 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.919 18.119 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.229 18.829 -0.316 1.00 0.00 H new ATOM 426 N ALA A 28 3.110 17.694 -4.255 1.00 0.00 N ATOM 427 CA ALA A 28 2.678 16.752 -5.279 1.00 0.00 C ATOM 428 C ALA A 28 3.590 15.531 -5.323 1.00 0.00 C ATOM 429 O ALA A 28 3.119 14.395 -5.372 1.00 0.00 O ATOM 430 CB ALA A 28 2.639 17.432 -6.640 1.00 0.00 C ATOM 0 H ALA A 28 3.429 18.593 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 28 1.674 16.414 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.315 16.716 -7.395 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.941 18.268 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.634 17.799 -6.892 1.00 0.00 H new ATOM 436 N GLU A 29 4.898 15.773 -5.304 1.00 0.00 N ATOM 437 CA GLU A 29 5.875 14.692 -5.343 1.00 0.00 C ATOM 438 C GLU A 29 5.801 13.846 -4.076 1.00 0.00 C ATOM 439 O GLU A 29 6.011 12.635 -4.114 1.00 0.00 O ATOM 440 CB GLU A 29 7.286 15.257 -5.511 1.00 0.00 C ATOM 441 CG GLU A 29 8.270 14.268 -6.114 1.00 0.00 C ATOM 442 CD GLU A 29 8.161 14.185 -7.624 1.00 0.00 C ATOM 443 OE1 GLU A 29 7.367 14.953 -8.205 1.00 0.00 O ATOM 444 OE2 GLU A 29 8.870 13.350 -8.224 1.00 0.00 O ATOM 0 H GLU A 29 5.304 16.708 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 29 5.642 14.056 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.240 16.143 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.658 15.579 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.285 14.559 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.096 13.281 -5.686 1.00 0.00 H new ATOM 451 N GLU A 30 5.501 14.494 -2.955 1.00 0.00 N ATOM 452 CA GLU A 30 5.401 13.802 -1.676 1.00 0.00 C ATOM 453 C GLU A 30 4.191 12.873 -1.653 1.00 0.00 C ATOM 454 O GLU A 30 4.293 11.710 -1.262 1.00 0.00 O ATOM 455 CB GLU A 30 5.304 14.812 -0.530 1.00 0.00 C ATOM 456 CG GLU A 30 5.226 14.168 0.844 1.00 0.00 C ATOM 457 CD GLU A 30 4.238 14.865 1.760 1.00 0.00 C ATOM 458 OE1 GLU A 30 3.019 14.757 1.510 1.00 0.00 O ATOM 459 OE2 GLU A 30 4.685 15.517 2.727 1.00 0.00 O ATOM 0 H GLU A 30 5.323 15.497 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 30 6.301 13.201 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.171 15.472 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.423 15.436 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.939 13.122 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.214 14.181 1.304 1.00 0.00 H new ATOM 466 N LYS A 31 3.044 13.395 -2.076 1.00 0.00 N ATOM 467 CA LYS A 31 1.813 12.614 -2.107 1.00 0.00 C ATOM 468 C LYS A 31 1.932 11.448 -3.083 1.00 0.00 C ATOM 469 O LYS A 31 1.583 10.314 -2.756 1.00 0.00 O ATOM 470 CB LYS A 31 0.631 13.502 -2.498 1.00 0.00 C ATOM 471 CG LYS A 31 -0.089 14.115 -1.310 1.00 0.00 C ATOM 472 CD LYS A 31 -1.598 14.037 -1.470 1.00 0.00 C ATOM 473 CE LYS A 31 -2.216 13.076 -0.466 1.00 0.00 C ATOM 474 NZ LYS A 31 -2.044 13.551 0.935 1.00 0.00 N ATOM 0 H LYS A 31 2.942 14.356 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 31 1.642 12.212 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.987 14.301 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.079 12.912 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.208 13.598 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.212 15.157 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.031 15.029 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.841 13.714 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.278 12.959 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.758 12.093 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.773 13.121 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.102 13.278 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.137 14.586 0.964 1.00 0.00 H new ATOM 488 N ALA A 32 2.428 11.735 -4.281 1.00 0.00 N ATOM 489 CA ALA A 32 2.596 10.710 -5.304 1.00 0.00 C ATOM 490 C ALA A 32 3.586 9.641 -4.853 1.00 0.00 C ATOM 491 O ALA A 32 3.334 8.445 -4.997 1.00 0.00 O ATOM 492 CB ALA A 32 3.054 11.338 -6.612 1.00 0.00 C ATOM 0 H ALA A 32 2.721 12.669 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 32 1.630 10.230 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.175 10.560 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.309 12.059 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.006 11.846 -6.458 1.00 0.00 H new ATOM 498 N LYS A 33 4.715 10.081 -4.307 1.00 0.00 N ATOM 499 CA LYS A 33 5.745 9.163 -3.835 1.00 0.00 C ATOM 500 C LYS A 33 5.248 8.358 -2.638 1.00 0.00 C ATOM 501 O LYS A 33 5.543 7.170 -2.512 1.00 0.00 O ATOM 502 CB LYS A 33 7.010 9.935 -3.453 1.00 0.00 C ATOM 503 CG LYS A 33 8.167 9.042 -3.042 1.00 0.00 C ATOM 504 CD LYS A 33 9.252 9.008 -4.106 1.00 0.00 C ATOM 505 CE LYS A 33 10.566 8.491 -3.545 1.00 0.00 C ATOM 506 NZ LYS A 33 11.466 9.601 -3.126 1.00 0.00 N ATOM 0 H LYS A 33 4.940 11.068 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 33 5.979 8.472 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.319 10.550 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.777 10.614 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.588 9.401 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.801 8.031 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.933 8.373 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.397 10.009 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.366 7.843 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.067 7.882 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.351 9.207 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.677 10.205 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.999 10.168 -2.390 1.00 0.00 H new ATOM 520 N GLU A 34 4.491 9.013 -1.763 1.00 0.00 N ATOM 521 CA GLU A 34 3.953 8.357 -0.578 1.00 0.00 C ATOM 522 C GLU A 34 2.996 7.232 -0.965 1.00 0.00 C ATOM 523 O GLU A 34 3.090 6.118 -0.448 1.00 0.00 O ATOM 524 CB GLU A 34 3.230 9.372 0.311 1.00 0.00 C ATOM 525 CG GLU A 34 4.143 10.069 1.305 1.00 0.00 C ATOM 526 CD GLU A 34 4.179 9.374 2.652 1.00 0.00 C ATOM 527 OE1 GLU A 34 4.805 8.298 2.748 1.00 0.00 O ATOM 528 OE2 GLU A 34 3.581 9.907 3.610 1.00 0.00 O ATOM 0 H GLU A 34 4.237 9.997 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 34 4.787 7.927 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.755 10.122 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.434 8.864 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.152 10.113 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.809 11.098 1.440 1.00 0.00 H new ATOM 535 N ILE A 35 2.077 7.532 -1.876 1.00 0.00 N ATOM 536 CA ILE A 35 1.105 6.547 -2.333 1.00 0.00 C ATOM 537 C ILE A 35 1.771 5.471 -3.182 1.00 0.00 C ATOM 538 O ILE A 35 1.368 4.308 -3.155 1.00 0.00 O ATOM 539 CB ILE A 35 -0.022 7.207 -3.150 1.00 0.00 C ATOM 540 CG1 ILE A 35 -0.727 8.277 -2.315 1.00 0.00 C ATOM 541 CG2 ILE A 35 -1.016 6.156 -3.623 1.00 0.00 C ATOM 542 CD1 ILE A 35 -1.591 9.211 -3.134 1.00 0.00 C ATOM 0 H ILE A 35 1.985 8.449 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 35 0.676 6.089 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 35 0.415 7.687 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.346 7.789 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.022 8.862 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.807 6.636 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.503 5.426 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.451 5.652 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.060 9.943 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.974 9.726 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.363 8.637 -3.647 1.00 0.00 H new ATOM 554 N GLN A 36 2.793 5.866 -3.935 1.00 0.00 N ATOM 555 CA GLN A 36 3.516 4.934 -4.792 1.00 0.00 C ATOM 556 C GLN A 36 4.344 3.960 -3.960 1.00 0.00 C ATOM 557 O GLN A 36 4.319 2.751 -4.193 1.00 0.00 O ATOM 558 CB GLN A 36 4.423 5.695 -5.760 1.00 0.00 C ATOM 559 CG GLN A 36 3.743 6.060 -7.071 1.00 0.00 C ATOM 560 CD GLN A 36 4.694 6.024 -8.250 1.00 0.00 C ATOM 561 OE1 GLN A 36 5.096 4.952 -8.705 1.00 0.00 O ATOM 562 NE2 GLN A 36 5.060 7.197 -8.754 1.00 0.00 N ATOM 0 H GLN A 36 3.139 6.825 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 36 2.784 4.364 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.774 6.607 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.303 5.088 -5.973 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.919 5.371 -7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.312 7.058 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.703 8.061 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.698 7.234 -9.549 1.00 0.00 H new ATOM 571 N LEU A 37 5.078 4.494 -2.989 1.00 0.00 N ATOM 572 CA LEU A 37 5.916 3.673 -2.123 1.00 0.00 C ATOM 573 C LEU A 37 5.062 2.834 -1.177 1.00 0.00 C ATOM 574 O LEU A 37 5.418 1.706 -0.836 1.00 0.00 O ATOM 575 CB LEU A 37 6.872 4.556 -1.319 1.00 0.00 C ATOM 576 CG LEU A 37 6.291 5.202 -0.061 1.00 0.00 C ATOM 577 CD1 LEU A 37 6.461 4.283 1.139 1.00 0.00 C ATOM 578 CD2 LEU A 37 6.949 6.549 0.199 1.00 0.00 C ATOM 0 H LEU A 37 5.109 5.492 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 37 6.497 2.999 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.734 3.954 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.240 5.347 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 37 5.225 5.365 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.042 4.760 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.942 3.342 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.521 4.087 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.523 6.994 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.021 6.410 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.774 7.209 -0.651 1.00 0.00 H new ATOM 590 N LYS A 38 3.931 3.393 -0.757 1.00 0.00 N ATOM 591 CA LYS A 38 3.023 2.697 0.147 1.00 0.00 C ATOM 592 C LYS A 38 2.338 1.532 -0.560 1.00 0.00 C ATOM 593 O LYS A 38 2.285 0.420 -0.036 1.00 0.00 O ATOM 594 CB LYS A 38 1.972 3.666 0.693 1.00 0.00 C ATOM 595 CG LYS A 38 2.460 4.493 1.869 1.00 0.00 C ATOM 596 CD LYS A 38 1.452 5.562 2.255 1.00 0.00 C ATOM 597 CE LYS A 38 0.241 4.961 2.954 1.00 0.00 C ATOM 598 NZ LYS A 38 -0.520 5.984 3.722 1.00 0.00 N ATOM 0 H LYS A 38 3.622 4.326 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 38 3.609 2.301 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.658 4.337 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.092 3.100 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.644 3.840 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.410 4.962 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.927 6.291 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.129 6.098 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.414 4.501 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.567 4.169 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.337 5.535 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.097 6.406 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.853 6.727 3.075 1.00 0.00 H new ATOM 612 N ALA A 39 1.816 1.795 -1.754 1.00 0.00 N ATOM 613 CA ALA A 39 1.138 0.768 -2.534 1.00 0.00 C ATOM 614 C ALA A 39 2.118 -0.302 -3.003 1.00 0.00 C ATOM 615 O ALA A 39 1.799 -1.493 -3.003 1.00 0.00 O ATOM 616 CB ALA A 39 0.427 1.392 -3.726 1.00 0.00 C ATOM 0 H ALA A 39 1.850 2.711 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 39 0.398 0.291 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.075 0.612 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.309 2.114 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.155 1.897 -4.361 1.00 0.00 H new ATOM 622 N ASP A 40 3.310 0.127 -3.401 1.00 0.00 N ATOM 623 CA ASP A 40 4.337 -0.794 -3.873 1.00 0.00 C ATOM 624 C ASP A 40 4.875 -1.642 -2.724 1.00 0.00 C ATOM 625 O ASP A 40 5.164 -2.825 -2.896 1.00 0.00 O ATOM 626 CB ASP A 40 5.480 -0.023 -4.533 1.00 0.00 C ATOM 627 CG ASP A 40 6.434 -0.931 -5.285 1.00 0.00 C ATOM 628 OD1 ASP A 40 6.131 -2.136 -5.408 1.00 0.00 O ATOM 629 OD2 ASP A 40 7.483 -0.437 -5.749 1.00 0.00 O ATOM 0 H ASP A 40 3.589 1.108 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 40 3.884 -1.457 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.067 0.715 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.032 0.527 -3.770 1.00 0.00 H new ATOM 634 N GLN A 41 5.008 -1.026 -1.553 1.00 0.00 N ATOM 635 CA GLN A 41 5.514 -1.724 -0.377 1.00 0.00 C ATOM 636 C GLN A 41 4.500 -2.745 0.128 1.00 0.00 C ATOM 637 O GLN A 41 4.848 -3.889 0.414 1.00 0.00 O ATOM 638 CB GLN A 41 5.844 -0.724 0.733 1.00 0.00 C ATOM 639 CG GLN A 41 7.212 -0.076 0.581 1.00 0.00 C ATOM 640 CD GLN A 41 8.201 -0.552 1.626 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.078 -0.226 2.808 1.00 0.00 O ATOM 642 NE2 GLN A 41 9.189 -1.328 1.197 1.00 0.00 N ATOM 0 H GLN A 41 4.773 -0.046 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 41 6.423 -2.253 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.082 0.055 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.797 -1.234 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.605 -0.294 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.107 1.007 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.253 -1.573 0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.884 -1.679 1.855 1.00 0.00 H new ATOM 651 N GLU A 42 3.244 -2.322 0.235 1.00 0.00 N ATOM 652 CA GLU A 42 2.180 -3.201 0.706 1.00 0.00 C ATOM 653 C GLU A 42 1.883 -4.293 -0.317 1.00 0.00 C ATOM 654 O GLU A 42 1.509 -5.411 0.042 1.00 0.00 O ATOM 655 CB GLU A 42 0.911 -2.395 0.990 1.00 0.00 C ATOM 656 CG GLU A 42 0.089 -2.095 -0.252 1.00 0.00 C ATOM 657 CD GLU A 42 -0.889 -3.203 -0.587 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.933 -4.202 0.161 1.00 0.00 O ATOM 659 OE2 GLU A 42 -1.614 -3.070 -1.596 1.00 0.00 O ATOM 0 H GLU A 42 2.939 -1.377 0.002 1.00 0.00 H new ATOM 0 HA GLU A 42 2.516 -3.674 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.293 -2.945 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.187 -1.455 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.459 -1.164 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.759 -1.939 -1.097 1.00 0.00 H new ATOM 666 N TYR A 43 2.053 -3.963 -1.592 1.00 0.00 N ATOM 667 CA TYR A 43 1.800 -4.914 -2.669 1.00 0.00 C ATOM 668 C TYR A 43 2.868 -6.004 -2.694 1.00 0.00 C ATOM 669 O TYR A 43 2.558 -7.189 -2.813 1.00 0.00 O ATOM 670 CB TYR A 43 1.759 -4.193 -4.017 1.00 0.00 C ATOM 671 CG TYR A 43 2.032 -5.098 -5.196 1.00 0.00 C ATOM 672 CD1 TYR A 43 3.326 -5.296 -5.662 1.00 0.00 C ATOM 673 CD2 TYR A 43 0.995 -5.757 -5.846 1.00 0.00 C ATOM 674 CE1 TYR A 43 3.579 -6.122 -6.740 1.00 0.00 C ATOM 675 CE2 TYR A 43 1.238 -6.585 -6.924 1.00 0.00 C ATOM 676 CZ TYR A 43 2.532 -6.765 -7.368 1.00 0.00 C ATOM 677 OH TYR A 43 2.780 -7.589 -8.441 1.00 0.00 O ATOM 0 H TYR A 43 2.365 -3.044 -1.906 1.00 0.00 H new ATOM 0 HA TYR A 43 0.833 -5.382 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.780 -3.732 -4.143 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.493 -3.387 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.148 -4.795 -5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.019 -5.619 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.591 -6.264 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.420 -7.089 -7.417 1.00 0.00 H new ATOM 0 HH TYR A 43 1.936 -7.965 -8.767 1.00 0.00 H new ATOM 687 N GLU A 44 4.127 -5.593 -2.581 1.00 0.00 N ATOM 688 CA GLU A 44 5.241 -6.533 -2.591 1.00 0.00 C ATOM 689 C GLU A 44 5.212 -7.425 -1.353 1.00 0.00 C ATOM 690 O GLU A 44 5.363 -8.643 -1.449 1.00 0.00 O ATOM 691 CB GLU A 44 6.572 -5.780 -2.659 1.00 0.00 C ATOM 692 CG GLU A 44 7.697 -6.590 -3.281 1.00 0.00 C ATOM 693 CD GLU A 44 7.999 -6.172 -4.707 1.00 0.00 C ATOM 694 OE1 GLU A 44 7.094 -5.617 -5.365 1.00 0.00 O ATOM 695 OE2 GLU A 44 9.137 -6.400 -5.165 1.00 0.00 O ATOM 0 H GLU A 44 4.401 -4.615 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 44 5.142 -7.164 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.433 -4.865 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.864 -5.482 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.597 -6.479 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.430 -7.647 -3.265 1.00 0.00 H new ATOM 702 N ILE A 45 5.016 -6.809 -0.191 1.00 0.00 N ATOM 703 CA ILE A 45 4.967 -7.546 1.065 1.00 0.00 C ATOM 704 C ILE A 45 3.782 -8.505 1.093 1.00 0.00 C ATOM 705 O ILE A 45 3.917 -9.662 1.491 1.00 0.00 O ATOM 706 CB ILE A 45 4.872 -6.594 2.273 1.00 0.00 C ATOM 707 CG1 ILE A 45 6.092 -5.673 2.321 1.00 0.00 C ATOM 708 CG2 ILE A 45 4.749 -7.389 3.564 1.00 0.00 C ATOM 709 CD1 ILE A 45 5.858 -4.401 3.104 1.00 0.00 C ATOM 0 H ILE A 45 4.889 -5.802 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 45 5.894 -8.115 1.134 1.00 0.00 H new ATOM 0 HB ILE A 45 3.980 -5.977 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.928 -6.214 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.383 -5.415 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.683 -6.703 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.852 -8.007 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.624 -8.028 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.765 -3.797 3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.043 -3.838 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.597 -4.650 4.133 1.00 0.00 H new ATOM 721 N GLU A 46 2.622 -8.016 0.666 1.00 0.00 N ATOM 722 CA GLU A 46 1.414 -8.831 0.640 1.00 0.00 C ATOM 723 C GLU A 46 1.584 -10.031 -0.287 1.00 0.00 C ATOM 724 O GLU A 46 1.270 -11.164 0.077 1.00 0.00 O ATOM 725 CB GLU A 46 0.214 -7.993 0.192 1.00 0.00 C ATOM 726 CG GLU A 46 -1.102 -8.750 0.220 1.00 0.00 C ATOM 727 CD GLU A 46 -2.004 -8.396 -0.947 1.00 0.00 C ATOM 728 OE1 GLU A 46 -2.128 -7.193 -1.258 1.00 0.00 O ATOM 729 OE2 GLU A 46 -2.583 -9.323 -1.551 1.00 0.00 O ATOM 0 H GLU A 46 2.494 -7.060 0.334 1.00 0.00 H new ATOM 0 HA GLU A 46 1.235 -9.198 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.133 -7.117 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.393 -7.630 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.901 -9.821 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.621 -8.534 1.154 1.00 0.00 H new ATOM 736 N LYS A 47 2.086 -9.773 -1.491 1.00 0.00 N ATOM 737 CA LYS A 47 2.301 -10.829 -2.473 1.00 0.00 C ATOM 738 C LYS A 47 3.265 -11.883 -1.937 1.00 0.00 C ATOM 739 O LYS A 47 3.005 -13.083 -2.027 1.00 0.00 O ATOM 740 CB LYS A 47 2.845 -10.240 -3.776 1.00 0.00 C ATOM 741 CG LYS A 47 2.495 -11.058 -5.007 1.00 0.00 C ATOM 742 CD LYS A 47 1.096 -10.741 -5.509 1.00 0.00 C ATOM 743 CE LYS A 47 0.381 -11.993 -5.994 1.00 0.00 C ATOM 744 NZ LYS A 47 -0.931 -11.673 -6.622 1.00 0.00 N ATOM 0 H LYS A 47 2.351 -8.841 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 47 1.342 -11.307 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.455 -9.230 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.929 -10.156 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.220 -10.857 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.566 -12.120 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.518 -10.277 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.155 -10.017 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.011 -12.515 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.226 -12.671 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.387 -12.552 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.542 -11.197 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.781 -11.046 -7.438 1.00 0.00 H new ATOM 758 N THR A 48 4.381 -11.426 -1.378 1.00 0.00 N ATOM 759 CA THR A 48 5.385 -12.328 -0.827 1.00 0.00 C ATOM 760 C THR A 48 4.827 -13.116 0.353 1.00 0.00 C ATOM 761 O THR A 48 5.188 -14.274 0.565 1.00 0.00 O ATOM 762 CB THR A 48 6.640 -11.561 -0.371 1.00 0.00 C ATOM 763 OG1 THR A 48 7.170 -10.796 -1.459 1.00 0.00 O ATOM 764 CG2 THR A 48 7.702 -12.520 0.147 1.00 0.00 C ATOM 0 H THR A 48 4.613 -10.436 -1.295 1.00 0.00 H new ATOM 0 HA THR A 48 5.661 -13.019 -1.624 1.00 0.00 H new ATOM 0 HB THR A 48 6.354 -10.889 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.629 -9.989 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.579 -11.955 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.305 -13.079 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.983 -13.214 -0.645 1.00 0.00 H new ATOM 772 N ASN A 49 3.945 -12.482 1.118 1.00 0.00 N ATOM 773 CA ASN A 49 3.338 -13.125 2.277 1.00 0.00 C ATOM 774 C ASN A 49 2.439 -14.281 1.850 1.00 0.00 C ATOM 775 O ASN A 49 2.568 -15.399 2.350 1.00 0.00 O ATOM 776 CB ASN A 49 2.530 -12.108 3.086 1.00 0.00 C ATOM 777 CG ASN A 49 1.815 -12.742 4.265 1.00 0.00 C ATOM 778 OD1 ASN A 49 0.615 -12.546 4.454 1.00 0.00 O ATOM 779 ND2 ASN A 49 2.553 -13.507 5.061 1.00 0.00 N ATOM 0 H ASN A 49 3.635 -11.524 0.956 1.00 0.00 H new ATOM 0 HA ASN A 49 4.139 -13.522 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.196 -11.324 3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.798 -11.630 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.128 -13.961 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.545 -13.640 4.864 1.00 0.00 H new ATOM 786 N ILE A 50 1.529 -14.003 0.922 1.00 0.00 N ATOM 787 CA ILE A 50 0.609 -15.020 0.426 1.00 0.00 C ATOM 788 C ILE A 50 1.364 -16.158 -0.252 1.00 0.00 C ATOM 789 O ILE A 50 1.073 -17.334 -0.024 1.00 0.00 O ATOM 790 CB ILE A 50 -0.404 -14.426 -0.569 1.00 0.00 C ATOM 791 CG1 ILE A 50 -1.202 -13.301 0.094 1.00 0.00 C ATOM 792 CG2 ILE A 50 -1.336 -15.510 -1.088 1.00 0.00 C ATOM 793 CD1 ILE A 50 -2.063 -13.769 1.245 1.00 0.00 C ATOM 0 H ILE A 50 1.409 -13.083 0.499 1.00 0.00 H new ATOM 0 HA ILE A 50 0.070 -15.408 1.291 1.00 0.00 H new ATOM 0 HB ILE A 50 0.142 -14.009 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.510 -12.539 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.837 -12.827 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.046 -15.074 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.753 -16.280 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.878 -15.954 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.600 -12.919 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.779 -14.509 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.432 -14.217 2.013 1.00 0.00 H new ATOM 805 N VAL A 51 2.335 -15.803 -1.087 1.00 0.00 N ATOM 806 CA VAL A 51 3.134 -16.795 -1.797 1.00 0.00 C ATOM 807 C VAL A 51 3.987 -17.609 -0.830 1.00 0.00 C ATOM 808 O VAL A 51 4.181 -18.810 -1.017 1.00 0.00 O ATOM 809 CB VAL A 51 4.052 -16.132 -2.841 1.00 0.00 C ATOM 810 CG1 VAL A 51 4.899 -17.180 -3.549 1.00 0.00 C ATOM 811 CG2 VAL A 51 3.232 -15.333 -3.842 1.00 0.00 C ATOM 0 H VAL A 51 2.588 -14.836 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 51 2.435 -17.458 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 51 4.722 -15.445 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.541 -16.693 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.515 -17.704 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.248 -17.894 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.897 -14.872 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.536 -15.997 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.674 -14.557 -3.318 1.00 0.00 H new ATOM 821 N ARG A 52 4.493 -16.947 0.206 1.00 0.00 N ATOM 822 CA ARG A 52 5.326 -17.609 1.203 1.00 0.00 C ATOM 823 C ARG A 52 4.519 -18.640 1.987 1.00 0.00 C ATOM 824 O ARG A 52 4.972 -19.764 2.202 1.00 0.00 O ATOM 825 CB ARG A 52 5.925 -16.579 2.161 1.00 0.00 C ATOM 826 CG ARG A 52 6.708 -17.199 3.308 1.00 0.00 C ATOM 827 CD ARG A 52 5.975 -17.041 4.631 1.00 0.00 C ATOM 828 NE ARG A 52 6.661 -17.727 5.722 1.00 0.00 N ATOM 829 CZ ARG A 52 6.186 -17.797 6.961 1.00 0.00 C ATOM 830 NH1 ARG A 52 5.028 -17.226 7.263 1.00 0.00 N ATOM 831 NH2 ARG A 52 6.869 -18.440 7.900 1.00 0.00 N ATOM 0 H ARG A 52 4.341 -15.953 0.377 1.00 0.00 H new ATOM 0 HA ARG A 52 6.133 -18.124 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.582 -15.913 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.122 -15.965 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.874 -18.257 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.689 -16.730 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.883 -15.982 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.963 -17.435 4.534 1.00 0.00 H new ATOM 0 HE ARG A 52 7.554 -18.177 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.500 -16.732 6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.665 -17.281 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.760 -18.881 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.503 -18.493 8.851 1.00 0.00 H new ATOM 845 N ASN A 53 3.321 -18.250 2.409 1.00 0.00 N ATOM 846 CA ASN A 53 2.451 -19.140 3.170 1.00 0.00 C ATOM 847 C ASN A 53 2.007 -20.325 2.318 1.00 0.00 C ATOM 848 O ASN A 53 2.121 -21.477 2.735 1.00 0.00 O ATOM 849 CB ASN A 53 1.227 -18.377 3.681 1.00 0.00 C ATOM 850 CG ASN A 53 0.804 -18.825 5.066 1.00 0.00 C ATOM 851 OD1 ASN A 53 1.401 -19.730 5.648 1.00 0.00 O ATOM 852 ND2 ASN A 53 -0.232 -18.190 5.602 1.00 0.00 N ATOM 0 H ASN A 53 2.930 -17.324 2.237 1.00 0.00 H new ATOM 0 HA ASN A 53 3.016 -19.519 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.449 -17.310 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.398 -18.519 2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.562 -18.447 6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.698 -17.445 5.083 1.00 0.00 H new ATOM 859 N GLU A 54 1.503 -20.033 1.125 1.00 0.00 N ATOM 860 CA GLU A 54 1.042 -21.076 0.214 1.00 0.00 C ATOM 861 C GLU A 54 2.182 -22.021 -0.152 1.00 0.00 C ATOM 862 O GLU A 54 2.033 -23.242 -0.102 1.00 0.00 O ATOM 863 CB GLU A 54 0.453 -20.453 -1.053 1.00 0.00 C ATOM 864 CG GLU A 54 -1.040 -20.682 -1.207 1.00 0.00 C ATOM 865 CD GLU A 54 -1.848 -20.021 -0.108 1.00 0.00 C ATOM 866 OE1 GLU A 54 -1.547 -18.857 0.231 1.00 0.00 O ATOM 867 OE2 GLU A 54 -2.780 -20.667 0.415 1.00 0.00 O ATOM 0 H GLU A 54 1.403 -19.084 0.765 1.00 0.00 H new ATOM 0 HA GLU A 54 0.267 -21.650 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.648 -19.381 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.966 -20.864 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.365 -20.297 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.241 -21.753 -1.207 1.00 0.00 H new ATOM 874 N THR A 55 3.324 -21.448 -0.521 1.00 0.00 N ATOM 875 CA THR A 55 4.489 -22.237 -0.898 1.00 0.00 C ATOM 876 C THR A 55 5.006 -23.051 0.283 1.00 0.00 C ATOM 877 O THR A 55 5.325 -24.230 0.144 1.00 0.00 O ATOM 878 CB THR A 55 5.626 -21.344 -1.429 1.00 0.00 C ATOM 879 OG1 THR A 55 5.184 -20.625 -2.586 1.00 0.00 O ATOM 880 CG2 THR A 55 6.849 -22.177 -1.779 1.00 0.00 C ATOM 0 H THR A 55 3.466 -20.439 -0.566 1.00 0.00 H new ATOM 0 HA THR A 55 4.169 -22.913 -1.691 1.00 0.00 H new ATOM 0 HB THR A 55 5.900 -20.637 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.562 -19.919 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.639 -21.525 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.200 -22.700 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.586 -22.904 -2.547 1.00 0.00 H new ATOM 888 N ASN A 56 5.088 -22.411 1.445 1.00 0.00 N ATOM 889 CA ASN A 56 5.568 -23.077 2.651 1.00 0.00 C ATOM 890 C ASN A 56 4.651 -24.234 3.036 1.00 0.00 C ATOM 891 O ASN A 56 5.107 -25.262 3.535 1.00 0.00 O ATOM 892 CB ASN A 56 5.660 -22.079 3.807 1.00 0.00 C ATOM 893 CG ASN A 56 6.322 -22.674 5.035 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.456 -23.152 4.972 1.00 0.00 O ATOM 895 ND2 ASN A 56 5.616 -22.649 6.159 1.00 0.00 N ATOM 0 H ASN A 56 4.829 -21.433 1.577 1.00 0.00 H new ATOM 0 HA ASN A 56 6.561 -23.477 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.222 -21.203 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.659 -21.736 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.009 -23.036 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.680 -22.243 6.165 1.00 0.00 H new ATOM 902 N ASN A 57 3.354 -24.058 2.800 1.00 0.00 N ATOM 903 CA ASN A 57 2.372 -25.087 3.122 1.00 0.00 C ATOM 904 C ASN A 57 2.508 -26.281 2.181 1.00 0.00 C ATOM 905 O ASN A 57 2.595 -27.426 2.625 1.00 0.00 O ATOM 906 CB ASN A 57 0.956 -24.514 3.036 1.00 0.00 C ATOM 907 CG ASN A 57 0.399 -24.144 4.397 1.00 0.00 C ATOM 908 OD1 ASN A 57 0.590 -23.026 4.875 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.295 -25.084 5.028 1.00 0.00 N ATOM 0 H ASN A 57 2.959 -23.213 2.387 1.00 0.00 H new ATOM 0 HA ASN A 57 2.558 -25.427 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.962 -23.631 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.299 -25.245 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.695 -24.893 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.429 -25.997 4.594 1.00 0.00 H new ATOM 916 N ILE A 58 2.524 -26.004 0.882 1.00 0.00 N ATOM 917 CA ILE A 58 2.651 -27.056 -0.120 1.00 0.00 C ATOM 918 C ILE A 58 4.000 -27.758 -0.012 1.00 0.00 C ATOM 919 O ILE A 58 4.078 -28.986 -0.060 1.00 0.00 O ATOM 920 CB ILE A 58 2.489 -26.496 -1.546 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.129 -25.811 -1.697 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.645 -27.609 -2.572 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.997 -25.003 -2.969 1.00 0.00 C ATOM 0 H ILE A 58 2.451 -25.062 0.498 1.00 0.00 H new ATOM 0 HA ILE A 58 1.854 -27.774 0.073 1.00 0.00 H new ATOM 0 HB ILE A 58 3.269 -25.755 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.345 -26.568 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.964 -25.156 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.528 -27.198 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.634 -28.056 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.884 -28.371 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.008 -24.546 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.758 -24.223 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.130 -25.657 -3.831 1.00 0.00 H new ATOM 935 N ASP A 59 5.061 -26.972 0.135 1.00 0.00 N ATOM 936 CA ASP A 59 6.407 -27.519 0.254 1.00 0.00 C ATOM 937 C ASP A 59 6.575 -28.270 1.570 1.00 0.00 C ATOM 938 O ASP A 59 7.172 -29.345 1.610 1.00 0.00 O ATOM 939 CB ASP A 59 7.446 -26.400 0.155 1.00 0.00 C ATOM 940 CG ASP A 59 7.665 -25.938 -1.273 1.00 0.00 C ATOM 941 OD1 ASP A 59 6.870 -25.107 -1.756 1.00 0.00 O ATOM 942 OD2 ASP A 59 8.632 -26.410 -1.907 1.00 0.00 O ATOM 0 H ASP A 59 5.015 -25.954 0.175 1.00 0.00 H new ATOM 0 HA ASP A 59 6.560 -28.221 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.124 -25.554 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.392 -26.748 0.570 1.00 0.00 H new ATOM 947 N GLY A 60 6.045 -27.695 2.646 1.00 0.00 N ATOM 948 CA GLY A 60 6.148 -28.325 3.950 1.00 0.00 C ATOM 949 C GLY A 60 5.408 -29.646 4.015 1.00 0.00 C ATOM 950 O GLY A 60 5.886 -30.603 4.625 1.00 0.00 O ATOM 0 H GLY A 60 5.547 -26.805 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.199 -28.488 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.750 -27.651 4.708 1.00 0.00 H new ATOM 954 N ASN A 61 4.239 -29.700 3.388 1.00 0.00 N ATOM 955 CA ASN A 61 3.430 -30.913 3.380 1.00 0.00 C ATOM 956 C ASN A 61 4.059 -31.980 2.488 1.00 0.00 C ATOM 957 O ASN A 61 4.176 -33.141 2.880 1.00 0.00 O ATOM 958 CB ASN A 61 2.011 -30.603 2.899 1.00 0.00 C ATOM 959 CG ASN A 61 0.960 -31.401 3.647 1.00 0.00 C ATOM 960 OD1 ASN A 61 0.044 -30.835 4.244 1.00 0.00 O ATOM 961 ND2 ASN A 61 1.089 -32.722 3.618 1.00 0.00 N ATOM 0 H ASN A 61 3.830 -28.917 2.878 1.00 0.00 H new ATOM 0 HA ASN A 61 3.385 -31.296 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.812 -29.539 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.936 -30.818 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.413 -33.311 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.864 -33.148 3.110 1.00 0.00 H new ATOM 968 N PHE A 62 4.464 -31.578 1.288 1.00 0.00 N ATOM 969 CA PHE A 62 5.082 -32.498 0.342 1.00 0.00 C ATOM 970 C PHE A 62 6.422 -33.003 0.868 1.00 0.00 C ATOM 971 O PHE A 62 6.738 -34.188 0.760 1.00 0.00 O ATOM 972 CB PHE A 62 5.278 -31.814 -1.013 1.00 0.00 C ATOM 973 CG PHE A 62 4.043 -31.811 -1.868 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.852 -31.290 -1.387 1.00 0.00 C ATOM 975 CD2 PHE A 62 4.072 -32.329 -3.153 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.715 -31.287 -2.172 1.00 0.00 C ATOM 977 CE2 PHE A 62 2.938 -32.328 -3.942 1.00 0.00 C ATOM 978 CZ PHE A 62 1.758 -31.805 -3.452 1.00 0.00 C ATOM 0 H PHE A 62 4.375 -30.620 0.948 1.00 0.00 H new ATOM 0 HA PHE A 62 4.416 -33.352 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.599 -30.785 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.082 -32.316 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.812 -30.882 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.992 -32.738 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.793 -30.880 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.975 -32.736 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.871 -31.801 -4.068 1.00 0.00 H new ATOM 988 N LYS A 63 7.207 -32.095 1.437 1.00 0.00 N ATOM 989 CA LYS A 63 8.513 -32.445 1.982 1.00 0.00 C ATOM 990 C LYS A 63 8.368 -33.333 3.215 1.00 0.00 C ATOM 991 O LYS A 63 9.085 -34.322 3.365 1.00 0.00 O ATOM 992 CB LYS A 63 9.295 -31.180 2.341 1.00 0.00 C ATOM 993 CG LYS A 63 10.771 -31.430 2.598 1.00 0.00 C ATOM 994 CD LYS A 63 11.625 -30.269 2.115 1.00 0.00 C ATOM 995 CE LYS A 63 12.279 -29.537 3.277 1.00 0.00 C ATOM 996 NZ LYS A 63 13.252 -30.401 4.000 1.00 0.00 N ATOM 0 H LYS A 63 6.961 -31.110 1.533 1.00 0.00 H new ATOM 0 HA LYS A 63 9.060 -32.999 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.193 -30.458 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.852 -30.728 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.935 -31.584 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.080 -32.345 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.394 -30.639 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.008 -29.573 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.789 -28.648 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.510 -29.197 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.940 -29.804 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.745 -30.997 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.752 -31.006 3.318 1.00 0.00 H new ATOM 1010 N SER A 64 7.436 -32.974 4.091 1.00 0.00 N ATOM 1011 CA SER A 64 7.199 -33.736 5.311 1.00 0.00 C ATOM 1012 C SER A 64 6.732 -35.151 4.985 1.00 0.00 C ATOM 1013 O SER A 64 7.171 -36.121 5.604 1.00 0.00 O ATOM 1014 CB SER A 64 6.158 -33.032 6.184 1.00 0.00 C ATOM 1015 OG SER A 64 5.926 -33.753 7.382 1.00 0.00 O ATOM 0 H SER A 64 6.832 -32.160 3.979 1.00 0.00 H new ATOM 0 HA SER A 64 8.139 -33.799 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.500 -32.025 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.224 -32.929 5.631 1.00 0.00 H new ATOM 0 HG SER A 64 5.258 -33.282 7.923 1.00 0.00 H new ATOM 1021 N LYS A 65 5.840 -35.263 4.007 1.00 0.00 N ATOM 1022 CA LYS A 65 5.313 -36.559 3.596 1.00 0.00 C ATOM 1023 C LYS A 65 6.390 -37.391 2.909 1.00 0.00 C ATOM 1024 O LYS A 65 6.499 -38.596 3.140 1.00 0.00 O ATOM 1025 CB LYS A 65 4.120 -36.371 2.654 1.00 0.00 C ATOM 1026 CG LYS A 65 3.453 -37.675 2.251 1.00 0.00 C ATOM 1027 CD LYS A 65 1.938 -37.549 2.250 1.00 0.00 C ATOM 1028 CE LYS A 65 1.302 -38.493 1.241 1.00 0.00 C ATOM 1029 NZ LYS A 65 0.038 -39.086 1.758 1.00 0.00 N ATOM 0 H LYS A 65 5.466 -34.471 3.484 1.00 0.00 H new ATOM 0 HA LYS A 65 4.984 -37.090 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.383 -35.730 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.455 -35.851 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.795 -37.968 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.753 -38.466 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.553 -37.766 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.657 -36.522 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.098 -37.953 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.004 -39.290 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.365 -39.723 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.236 -39.623 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.641 -38.327 1.967 1.00 0.00 H new ATOM 1043 N LEU A 66 7.185 -36.742 2.066 1.00 0.00 N ATOM 1044 CA LEU A 66 8.256 -37.422 1.346 1.00 0.00 C ATOM 1045 C LEU A 66 9.364 -37.857 2.301 1.00 0.00 C ATOM 1046 O LEU A 66 9.940 -38.935 2.152 1.00 0.00 O ATOM 1047 CB LEU A 66 8.832 -36.507 0.264 1.00 0.00 C ATOM 1048 CG LEU A 66 10.082 -37.018 -0.452 1.00 0.00 C ATOM 1049 CD1 LEU A 66 9.728 -38.148 -1.406 1.00 0.00 C ATOM 1050 CD2 LEU A 66 10.771 -35.884 -1.197 1.00 0.00 C ATOM 0 H LEU A 66 7.108 -35.745 1.864 1.00 0.00 H new ATOM 0 HA LEU A 66 7.836 -38.311 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.058 -36.328 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.066 -35.544 0.718 1.00 0.00 H new ATOM 0 HG LEU A 66 10.772 -37.406 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.631 -38.498 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.281 -38.970 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.018 -37.787 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.659 -36.266 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.087 -35.465 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.061 -35.107 -0.489 1.00 0.00 H new ATOM 1062 N LYS A 67 9.655 -37.012 3.285 1.00 0.00 N ATOM 1063 CA LYS A 67 10.690 -37.310 4.267 1.00 0.00 C ATOM 1064 C LYS A 67 10.268 -38.466 5.169 1.00 0.00 C ATOM 1065 O LYS A 67 11.037 -39.400 5.400 1.00 0.00 O ATOM 1066 CB LYS A 67 10.988 -36.071 5.116 1.00 0.00 C ATOM 1067 CG LYS A 67 12.193 -36.233 6.026 1.00 0.00 C ATOM 1068 CD LYS A 67 13.184 -35.095 5.846 1.00 0.00 C ATOM 1069 CE LYS A 67 13.706 -34.594 7.184 1.00 0.00 C ATOM 1070 NZ LYS A 67 14.327 -33.245 7.068 1.00 0.00 N ATOM 0 H LYS A 67 9.188 -36.116 3.423 1.00 0.00 H new ATOM 0 HA LYS A 67 11.592 -37.602 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.154 -35.220 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.113 -35.838 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.864 -36.269 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.685 -37.182 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.019 -35.432 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.705 -34.275 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.887 -34.556 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.440 -35.299 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.670 -32.939 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.125 -33.286 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.620 -32.566 6.720 1.00 0.00 H new ATOM 1084 N LYS A 68 9.041 -38.398 5.675 1.00 0.00 N ATOM 1085 CA LYS A 68 8.515 -39.441 6.549 1.00 0.00 C ATOM 1086 C LYS A 68 8.281 -40.733 5.774 1.00 0.00 C ATOM 1087 O LYS A 68 8.424 -41.828 6.318 1.00 0.00 O ATOM 1088 CB LYS A 68 7.209 -38.978 7.199 1.00 0.00 C ATOM 1089 CG LYS A 68 6.042 -38.900 6.229 1.00 0.00 C ATOM 1090 CD LYS A 68 4.795 -38.350 6.901 1.00 0.00 C ATOM 1091 CE LYS A 68 4.277 -39.296 7.974 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.943 -38.879 8.484 1.00 0.00 N ATOM 0 H LYS A 68 8.392 -37.632 5.495 1.00 0.00 H new ATOM 0 HA LYS A 68 9.252 -39.635 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.953 -39.662 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.364 -37.997 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.311 -38.266 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.833 -39.892 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.018 -37.380 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.019 -38.187 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.211 -40.305 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.987 -39.331 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.625 -39.549 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.011 -37.926 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.259 -38.870 7.701 1.00 0.00 H new ATOM 1106 N ALA A 69 7.922 -40.598 4.502 1.00 0.00 N ATOM 1107 CA ALA A 69 7.671 -41.756 3.652 1.00 0.00 C ATOM 1108 C ALA A 69 8.878 -42.688 3.625 1.00 0.00 C ATOM 1109 O ALA A 69 8.729 -43.909 3.569 1.00 0.00 O ATOM 1110 CB ALA A 69 7.315 -41.308 2.242 1.00 0.00 C ATOM 0 H ALA A 69 7.798 -39.699 4.037 1.00 0.00 H new ATOM 0 HA ALA A 69 6.828 -42.307 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.130 -42.182 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.419 -40.688 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.141 -40.732 1.824 1.00 0.00 H new