USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= 0 K(o=-0.086,f=-1.2) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -0.086 F(o=-0.59,f=-0.086) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-4.1!) USER MOD Single : A 22 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 52 THR OG1 : rot -49:sc= -0.666 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 SER OG : rot 180:sc= -0.244 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -46:sc= 0.742 USER MOD Single : A 73 THR OG1 : rot 31:sc= 0.153! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -33:sc= 0.202 USER MOD Single : A 82 THR OG1 : rot 86:sc= 0.437 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.292 4.671 2.281 1.00 0.00 N ATOM 98 CA VAL A 10 11.496 3.477 2.026 1.00 0.00 C ATOM 99 C VAL A 10 11.329 2.646 3.293 1.00 0.00 C ATOM 100 O VAL A 10 12.183 1.824 3.625 1.00 0.00 O ATOM 101 CB VAL A 10 12.134 2.601 0.931 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.298 1.353 0.692 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.303 3.395 -0.355 1.00 0.00 C ATOM 0 HA VAL A 10 10.517 3.816 1.686 1.00 0.00 H new ATOM 0 HB VAL A 10 13.122 2.288 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.764 0.746 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.234 0.776 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.296 1.642 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.755 2.761 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.328 3.740 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.947 4.255 -0.170 1.00 0.00 H new ATOM 113 N GLU A 11 10.224 2.867 3.998 1.00 0.00 N ATOM 114 CA GLU A 11 9.945 2.138 5.230 1.00 0.00 C ATOM 115 C GLU A 11 9.849 0.638 4.965 1.00 0.00 C ATOM 116 O GLU A 11 8.998 0.186 4.198 1.00 0.00 O ATOM 117 CB GLU A 11 8.646 2.640 5.863 1.00 0.00 C ATOM 118 CG GLU A 11 8.630 2.540 7.379 1.00 0.00 C ATOM 119 CD GLU A 11 7.627 3.484 8.015 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.296 4.510 7.384 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.174 3.197 9.142 1.00 0.00 O ATOM 0 H GLU A 11 9.508 3.545 3.737 1.00 0.00 H new ATOM 0 HA GLU A 11 10.769 2.315 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.489 3.679 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.810 2.067 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.395 1.516 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.626 2.760 7.765 1.00 0.00 H new ATOM 128 N SER A 12 10.728 -0.127 5.604 1.00 0.00 N ATOM 129 CA SER A 12 10.745 -1.575 5.435 1.00 0.00 C ATOM 130 C SER A 12 9.806 -2.250 6.429 1.00 0.00 C ATOM 131 O SER A 12 9.603 -1.760 7.540 1.00 0.00 O ATOM 132 CB SER A 12 12.166 -2.113 5.612 1.00 0.00 C ATOM 133 OG SER A 12 12.150 -3.459 6.055 1.00 0.00 O ATOM 0 H SER A 12 11.437 0.232 6.243 1.00 0.00 H new ATOM 0 HA SER A 12 10.401 -1.802 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.705 -2.044 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.705 -1.496 6.331 1.00 0.00 H new ATOM 0 HG SER A 12 13.070 -3.780 6.159 1.00 0.00 H new ATOM 139 N PHE A 13 9.235 -3.379 6.022 1.00 0.00 N ATOM 140 CA PHE A 13 8.315 -4.122 6.876 1.00 0.00 C ATOM 141 C PHE A 13 8.517 -5.625 6.714 1.00 0.00 C ATOM 142 O PHE A 13 9.219 -6.075 5.807 1.00 0.00 O ATOM 143 CB PHE A 13 6.868 -3.751 6.547 1.00 0.00 C ATOM 144 CG PHE A 13 6.427 -2.454 7.162 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.756 -1.245 6.571 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.681 -2.443 8.330 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.352 -0.049 7.135 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.274 -1.251 8.898 1.00 0.00 C ATOM 149 CZ PHE A 13 5.609 -0.053 8.299 1.00 0.00 C ATOM 0 H PHE A 13 9.393 -3.799 5.106 1.00 0.00 H new ATOM 0 HA PHE A 13 8.524 -3.855 7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.755 -3.688 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.210 -4.549 6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.335 -1.237 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.415 -3.377 8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.617 0.887 6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.695 -1.256 9.809 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.290 0.880 8.740 1.00 0.00 H new ATOM 159 N LEU A 14 7.897 -6.398 7.598 1.00 0.00 N ATOM 160 CA LEU A 14 8.007 -7.852 7.555 1.00 0.00 C ATOM 161 C LEU A 14 6.834 -8.510 8.274 1.00 0.00 C ATOM 162 O LEU A 14 6.514 -8.160 9.410 1.00 0.00 O ATOM 163 CB LEU A 14 9.325 -8.302 8.187 1.00 0.00 C ATOM 164 CG LEU A 14 9.684 -9.779 8.013 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.681 -10.661 8.741 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.744 -10.142 6.537 1.00 0.00 C ATOM 0 H LEU A 14 7.312 -6.042 8.354 1.00 0.00 H new ATOM 0 HA LEU A 14 7.987 -8.162 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.131 -7.701 7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.287 -8.081 9.254 1.00 0.00 H new ATOM 0 HG LEU A 14 10.669 -9.948 8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.952 -11.708 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.687 -10.418 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.684 -10.489 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.001 -11.196 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.773 -9.957 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.501 -9.533 6.043 1.00 0.00 H new ATOM 178 N VAL A 15 6.197 -9.466 7.606 1.00 0.00 N ATOM 179 CA VAL A 15 5.061 -10.175 8.182 1.00 0.00 C ATOM 180 C VAL A 15 4.954 -11.589 7.622 1.00 0.00 C ATOM 181 O VAL A 15 5.815 -12.034 6.862 1.00 0.00 O ATOM 182 CB VAL A 15 3.740 -9.429 7.918 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.751 -8.067 8.596 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.499 -9.287 6.422 1.00 0.00 C ATOM 0 H VAL A 15 6.449 -9.768 6.665 1.00 0.00 H new ATOM 0 HA VAL A 15 5.232 -10.225 9.257 1.00 0.00 H new ATOM 0 HB VAL A 15 2.922 -10.012 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.810 -7.555 8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.875 -8.197 9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.577 -7.473 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.561 -8.758 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.319 -8.726 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.444 -10.276 5.967 1.00 0.00 H new ATOM 194 N HIS A 16 3.892 -12.292 8.003 1.00 0.00 N ATOM 195 CA HIS A 16 3.671 -13.656 7.537 1.00 0.00 C ATOM 196 C HIS A 16 2.234 -13.842 7.060 1.00 0.00 C ATOM 197 O HIS A 16 1.375 -12.981 7.251 1.00 0.00 O ATOM 198 CB HIS A 16 3.983 -14.655 8.653 1.00 0.00 C ATOM 199 CG HIS A 16 2.769 -15.339 9.200 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.705 -16.700 9.416 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.568 -14.843 9.578 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.516 -17.011 9.901 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.807 -15.902 10.010 1.00 0.00 N ATOM 0 H HIS A 16 3.171 -11.940 8.633 1.00 0.00 H new ATOM 0 HA HIS A 16 4.340 -13.839 6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.674 -15.408 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.493 -14.134 9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.264 -13.807 9.546 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.181 -18.003 10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.150 -15.842 10.358 1.00 0.00 H new ATOM 212 N PRO A 17 1.966 -14.990 6.421 1.00 0.00 N ATOM 213 CA PRO A 17 0.633 -15.315 5.903 1.00 0.00 C ATOM 214 C PRO A 17 -0.372 -15.585 7.017 1.00 0.00 C ATOM 215 O PRO A 17 -0.455 -16.697 7.536 1.00 0.00 O ATOM 216 CB PRO A 17 0.873 -16.583 5.080 1.00 0.00 C ATOM 217 CG PRO A 17 2.086 -17.203 5.683 1.00 0.00 C ATOM 218 CD PRO A 17 2.942 -16.061 6.158 1.00 0.00 C ATOM 0 HA PRO A 17 0.206 -14.492 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.017 -17.256 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.030 -16.348 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.818 -17.860 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.618 -17.812 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.501 -16.324 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.671 -15.764 5.404 1.00 0.00 H new ATOM 226 N GLY A 18 -1.136 -14.558 7.380 1.00 0.00 N ATOM 227 CA GLY A 18 -2.127 -14.706 8.430 1.00 0.00 C ATOM 228 C GLY A 18 -2.082 -13.570 9.433 1.00 0.00 C ATOM 229 O GLY A 18 -2.969 -13.443 10.277 1.00 0.00 O ATOM 0 H GLY A 18 -1.086 -13.627 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.120 -14.754 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.965 -15.651 8.948 1.00 0.00 H new ATOM 233 N ASP A 19 -1.045 -12.745 9.343 1.00 0.00 N ATOM 234 CA ASP A 19 -0.887 -11.614 10.250 1.00 0.00 C ATOM 235 C ASP A 19 -1.681 -10.408 9.759 1.00 0.00 C ATOM 236 O ASP A 19 -2.433 -10.500 8.787 1.00 0.00 O ATOM 237 CB ASP A 19 0.591 -11.245 10.388 1.00 0.00 C ATOM 238 CG ASP A 19 1.276 -12.006 11.506 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.670 -12.964 12.030 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.418 -11.644 11.856 1.00 0.00 O ATOM 0 H ASP A 19 -0.301 -12.838 8.651 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.273 -11.907 11.226 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.103 -11.449 9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.679 -10.175 10.574 1.00 0.00 H new ATOM 245 N LEU A 20 -1.511 -9.278 10.437 1.00 0.00 N ATOM 246 CA LEU A 20 -2.213 -8.053 10.070 1.00 0.00 C ATOM 247 C LEU A 20 -1.241 -7.010 9.527 1.00 0.00 C ATOM 248 O LEU A 20 -0.477 -6.405 10.281 1.00 0.00 O ATOM 249 CB LEU A 20 -2.960 -7.488 11.280 1.00 0.00 C ATOM 250 CG LEU A 20 -3.801 -6.237 11.025 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.953 -6.551 10.084 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.321 -5.668 12.337 1.00 0.00 C ATOM 0 H LEU A 20 -0.893 -9.185 11.243 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.932 -8.296 9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.613 -8.266 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.231 -7.259 12.057 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.168 -5.486 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.540 -5.649 9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.559 -6.911 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.587 -7.318 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.917 -4.778 12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.939 -6.414 12.838 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.480 -5.404 12.978 1.00 0.00 H new ATOM 264 N LEU A 21 -1.276 -6.804 8.215 1.00 0.00 N ATOM 265 CA LEU A 21 -0.399 -5.832 7.570 1.00 0.00 C ATOM 266 C LEU A 21 -0.930 -4.414 7.753 1.00 0.00 C ATOM 267 O LEU A 21 -1.936 -4.036 7.153 1.00 0.00 O ATOM 268 CB LEU A 21 -0.263 -6.150 6.080 1.00 0.00 C ATOM 269 CG LEU A 21 0.622 -5.201 5.270 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.059 -5.262 5.762 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.548 -5.539 3.788 1.00 0.00 C ATOM 0 H LEU A 21 -1.901 -7.296 7.577 1.00 0.00 H new ATOM 0 HA LEU A 21 0.582 -5.896 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.134 -7.160 5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.259 -6.153 5.637 1.00 0.00 H new ATOM 0 HG LEU A 21 0.255 -4.184 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.674 -4.581 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.097 -4.971 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.438 -6.278 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.183 -4.854 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.889 -6.562 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.482 -5.443 3.444 1.00 0.00 H new ATOM 283 N GLN A 22 -0.246 -3.635 8.584 1.00 0.00 N ATOM 284 CA GLN A 22 -0.649 -2.258 8.845 1.00 0.00 C ATOM 285 C GLN A 22 0.403 -1.277 8.336 1.00 0.00 C ATOM 286 O GLN A 22 1.581 -1.381 8.680 1.00 0.00 O ATOM 287 CB GLN A 22 -0.878 -2.046 10.342 1.00 0.00 C ATOM 288 CG GLN A 22 -2.300 -2.345 10.788 1.00 0.00 C ATOM 289 CD GLN A 22 -2.543 -1.990 12.242 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.687 -1.398 12.900 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.715 -2.352 12.752 1.00 0.00 N ATOM 0 H GLN A 22 0.589 -3.933 9.088 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.581 -2.072 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.190 -2.681 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.636 -1.014 10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.998 -1.790 10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.509 -3.404 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.395 -2.841 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.935 -2.141 13.725 1.00 0.00 H new ATOM 300 N LEU A 23 -0.029 -0.327 7.515 1.00 0.00 N ATOM 301 CA LEU A 23 0.875 0.673 6.958 1.00 0.00 C ATOM 302 C LEU A 23 0.404 2.083 7.297 1.00 0.00 C ATOM 303 O LEU A 23 -0.761 2.294 7.634 1.00 0.00 O ATOM 304 CB LEU A 23 0.977 0.508 5.440 1.00 0.00 C ATOM 305 CG LEU A 23 1.596 -0.801 4.948 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.535 -0.882 3.430 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.033 -0.927 5.433 1.00 0.00 C ATOM 0 H LEU A 23 -1.000 -0.228 7.220 1.00 0.00 H new ATOM 0 HA LEU A 23 1.860 0.523 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.024 0.595 5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.564 1.336 5.043 1.00 0.00 H new ATOM 0 HG LEU A 23 1.021 -1.630 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.980 -1.820 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.496 -0.838 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.086 -0.046 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.457 -1.864 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.621 -0.092 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.052 -0.915 6.523 1.00 0.00 H new ATOM 319 N ARG A 24 1.316 3.045 7.203 1.00 0.00 N ATOM 320 CA ARG A 24 0.993 4.436 7.499 1.00 0.00 C ATOM 321 C ARG A 24 1.606 5.369 6.459 1.00 0.00 C ATOM 322 O ARG A 24 2.767 5.215 6.078 1.00 0.00 O ATOM 323 CB ARG A 24 1.493 4.811 8.895 1.00 0.00 C ATOM 324 CG ARG A 24 0.658 5.886 9.572 1.00 0.00 C ATOM 325 CD ARG A 24 0.719 5.766 11.087 1.00 0.00 C ATOM 326 NE ARG A 24 2.003 6.214 11.621 1.00 0.00 N ATOM 327 CZ ARG A 24 2.354 7.492 11.715 1.00 0.00 C ATOM 328 NH1 ARG A 24 1.521 8.443 11.315 1.00 0.00 N ATOM 329 NH2 ARG A 24 3.540 7.820 12.212 1.00 0.00 N ATOM 0 H ARG A 24 2.284 2.887 6.924 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.091 4.547 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.499 3.919 9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.524 5.156 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.015 6.870 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.377 5.807 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.083 6.356 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.549 4.729 11.376 1.00 0.00 H new ATOM 0 HE ARG A 24 2.666 5.507 11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.608 8.194 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.793 9.423 11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.182 7.091 12.522 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.809 8.801 12.284 1.00 0.00 H new ATOM 343 N CYS A 25 0.818 6.337 6.003 1.00 0.00 N ATOM 344 CA CYS A 25 1.281 7.295 5.007 1.00 0.00 C ATOM 345 C CYS A 25 1.745 8.589 5.671 1.00 0.00 C ATOM 346 O CYS A 25 1.189 9.012 6.684 1.00 0.00 O ATOM 347 CB CYS A 25 0.168 7.596 4.002 1.00 0.00 C ATOM 348 SG CYS A 25 0.555 8.949 2.845 1.00 0.00 S ATOM 0 H CYS A 25 -0.145 6.478 6.308 1.00 0.00 H new ATOM 0 HA CYS A 25 2.127 6.853 4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.044 6.693 3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.741 7.848 4.548 1.00 0.00 H new ATOM 353 N ARG A 26 2.766 9.211 5.091 1.00 0.00 N ATOM 354 CA ARG A 26 3.305 10.456 5.627 1.00 0.00 C ATOM 355 C ARG A 26 2.488 11.652 5.148 1.00 0.00 C ATOM 356 O ARG A 26 2.461 11.963 3.956 1.00 0.00 O ATOM 357 CB ARG A 26 4.768 10.623 5.210 1.00 0.00 C ATOM 358 CG ARG A 26 5.757 10.075 6.225 1.00 0.00 C ATOM 359 CD ARG A 26 6.215 11.154 7.195 1.00 0.00 C ATOM 360 NE ARG A 26 7.402 11.855 6.712 1.00 0.00 N ATOM 361 CZ ARG A 26 7.843 12.996 7.231 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.200 13.560 8.244 1.00 0.00 N ATOM 363 NH2 ARG A 26 8.931 13.574 6.737 1.00 0.00 N ATOM 0 H ARG A 26 3.236 8.874 4.251 1.00 0.00 H new ATOM 0 HA ARG A 26 3.247 10.411 6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.924 10.121 4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.973 11.682 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.296 9.258 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.621 9.660 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.408 11.870 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.429 10.703 8.164 1.00 0.00 H new ATOM 0 HE ARG A 26 7.920 11.447 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.364 13.118 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.541 14.436 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.429 13.142 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.269 14.450 7.136 1.00 0.00 H new ATOM 477 N SER A 33 -5.089 15.476 0.006 1.00 0.00 N ATOM 478 CA SER A 33 -5.603 14.142 -0.283 1.00 0.00 C ATOM 479 C SER A 33 -4.486 13.105 -0.230 1.00 0.00 C ATOM 480 O SER A 33 -3.327 13.438 0.021 1.00 0.00 O ATOM 481 CB SER A 33 -6.272 14.117 -1.659 1.00 0.00 C ATOM 482 OG SER A 33 -7.646 14.452 -1.565 1.00 0.00 O ATOM 0 HA SER A 33 -6.343 13.893 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.768 14.818 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.166 13.126 -2.101 1.00 0.00 H new ATOM 0 HG SER A 33 -8.050 14.430 -2.458 1.00 0.00 H new ATOM 488 N ILE A 34 -4.842 11.847 -0.467 1.00 0.00 N ATOM 489 CA ILE A 34 -3.870 10.762 -0.447 1.00 0.00 C ATOM 490 C ILE A 34 -4.163 9.741 -1.542 1.00 0.00 C ATOM 491 O ILE A 34 -5.320 9.451 -1.840 1.00 0.00 O ATOM 492 CB ILE A 34 -3.854 10.045 0.916 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.870 11.067 2.055 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.636 9.141 1.026 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.103 10.451 3.417 1.00 0.00 C ATOM 0 H ILE A 34 -5.797 11.554 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.893 11.211 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.748 9.427 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.921 11.602 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.649 11.804 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.640 8.642 1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.665 8.394 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.730 9.738 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.102 11.234 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.065 9.939 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.310 9.735 3.633 1.00 0.00 H new ATOM 507 N ASN A 35 -3.104 9.199 -2.136 1.00 0.00 N ATOM 508 CA ASN A 35 -3.248 8.209 -3.197 1.00 0.00 C ATOM 509 C ASN A 35 -2.355 6.999 -2.937 1.00 0.00 C ATOM 510 O ASN A 35 -1.144 7.052 -3.149 1.00 0.00 O ATOM 511 CB ASN A 35 -2.901 8.830 -4.552 1.00 0.00 C ATOM 512 CG ASN A 35 -3.652 8.177 -5.696 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.883 8.152 -5.712 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.912 7.645 -6.662 1.00 0.00 N ATOM 0 H ASN A 35 -2.138 9.429 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.286 7.876 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.132 9.895 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.829 8.740 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.361 7.193 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.894 7.689 -6.608 1.00 0.00 H new ATOM 521 N TRP A 36 -2.963 5.912 -2.478 1.00 0.00 N ATOM 522 CA TRP A 36 -2.224 4.688 -2.189 1.00 0.00 C ATOM 523 C TRP A 36 -1.862 3.954 -3.475 1.00 0.00 C ATOM 524 O TRP A 36 -2.652 3.911 -4.420 1.00 0.00 O ATOM 525 CB TRP A 36 -3.046 3.773 -1.279 1.00 0.00 C ATOM 526 CG TRP A 36 -2.997 4.172 0.165 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.957 4.848 0.862 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.931 3.920 1.087 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.552 5.032 2.162 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.313 4.471 2.326 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.692 3.282 0.988 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.499 4.403 3.454 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.115 3.215 2.108 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.292 3.772 3.328 1.00 0.00 C ATOM 0 H TRP A 36 -3.965 5.852 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.302 4.963 -1.678 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.083 3.776 -1.614 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.681 2.751 -1.379 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.896 5.188 0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.087 5.509 2.888 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.370 2.849 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.810 4.833 4.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.075 2.725 2.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.360 3.702 4.186 1.00 0.00 H new ATOM 545 N LEU A 37 -0.666 3.377 -3.507 1.00 0.00 N ATOM 546 CA LEU A 37 -0.200 2.644 -4.678 1.00 0.00 C ATOM 547 C LEU A 37 0.596 1.410 -4.267 1.00 0.00 C ATOM 548 O LEU A 37 1.093 1.325 -3.144 1.00 0.00 O ATOM 549 CB LEU A 37 0.660 3.549 -5.562 1.00 0.00 C ATOM 550 CG LEU A 37 -0.037 4.781 -6.141 1.00 0.00 C ATOM 551 CD1 LEU A 37 0.955 5.918 -6.327 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.714 4.439 -7.461 1.00 0.00 C ATOM 0 H LEU A 37 -0.001 3.403 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.073 2.318 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.519 3.882 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.048 2.954 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.802 5.107 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.441 6.786 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.393 6.180 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.744 5.604 -7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.205 5.327 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.033 4.088 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.455 3.657 -7.298 1.00 0.00 H new ATOM 564 N ARG A 38 0.715 0.456 -5.185 1.00 0.00 N ATOM 565 CA ARG A 38 1.452 -0.773 -4.918 1.00 0.00 C ATOM 566 C ARG A 38 2.108 -1.301 -6.191 1.00 0.00 C ATOM 567 O ARG A 38 1.425 -1.640 -7.158 1.00 0.00 O ATOM 568 CB ARG A 38 0.520 -1.836 -4.334 1.00 0.00 C ATOM 569 CG ARG A 38 1.246 -3.070 -3.825 1.00 0.00 C ATOM 570 CD ARG A 38 0.330 -3.950 -2.988 1.00 0.00 C ATOM 571 NE ARG A 38 -0.556 -4.762 -3.818 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.536 -5.514 -3.328 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.753 -5.557 -2.021 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.301 -6.224 -4.147 1.00 0.00 N ATOM 0 H ARG A 38 0.311 0.511 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 38 2.234 -0.547 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.050 -1.397 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.198 -2.136 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.630 -3.642 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.106 -2.767 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.932 -4.602 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.267 -3.324 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.415 -4.751 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.167 -5.012 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.506 -6.135 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.137 -6.193 -5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.053 -6.801 -3.770 1.00 0.00 H new ATOM 588 N ASP A 39 3.435 -1.367 -6.183 1.00 0.00 N ATOM 589 CA ASP A 39 4.183 -1.854 -7.337 1.00 0.00 C ATOM 590 C ASP A 39 3.931 -0.976 -8.558 1.00 0.00 C ATOM 591 O ASP A 39 4.066 -1.424 -9.696 1.00 0.00 O ATOM 592 CB ASP A 39 3.798 -3.302 -7.646 1.00 0.00 C ATOM 593 CG ASP A 39 4.537 -4.297 -6.773 1.00 0.00 C ATOM 594 OD1 ASP A 39 4.075 -4.551 -5.641 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.578 -4.822 -7.222 1.00 0.00 O ATOM 0 H ASP A 39 4.015 -1.090 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 39 5.245 -1.812 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.724 -3.427 -7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.009 -3.515 -8.694 1.00 0.00 H new ATOM 600 N GLY A 40 3.563 0.278 -8.313 1.00 0.00 N ATOM 601 CA GLY A 40 3.297 1.199 -9.403 1.00 0.00 C ATOM 602 C GLY A 40 1.883 1.074 -9.935 1.00 0.00 C ATOM 603 O GLY A 40 1.673 0.987 -11.145 1.00 0.00 O ATOM 0 H GLY A 40 3.444 0.672 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.464 2.220 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.004 1.014 -10.212 1.00 0.00 H new ATOM 607 N VAL A 41 0.910 1.064 -9.030 1.00 0.00 N ATOM 608 CA VAL A 41 -0.492 0.948 -9.415 1.00 0.00 C ATOM 609 C VAL A 41 -1.412 1.297 -8.251 1.00 0.00 C ATOM 610 O VAL A 41 -1.073 1.071 -7.090 1.00 0.00 O ATOM 611 CB VAL A 41 -0.822 -0.473 -9.909 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.920 -1.436 -8.736 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.112 -0.469 -10.716 1.00 0.00 C ATOM 0 H VAL A 41 1.067 1.135 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.657 1.655 -10.228 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.015 -0.811 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.154 -2.435 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.031 -1.459 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.707 -1.105 -8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.331 -1.481 -11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.931 -0.112 -10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.000 0.189 -11.578 1.00 0.00 H new ATOM 623 N GLN A 42 -2.579 1.848 -8.571 1.00 0.00 N ATOM 624 CA GLN A 42 -3.549 2.228 -7.551 1.00 0.00 C ATOM 625 C GLN A 42 -3.900 1.038 -6.664 1.00 0.00 C ATOM 626 O GLN A 42 -4.255 -0.033 -7.156 1.00 0.00 O ATOM 627 CB GLN A 42 -4.816 2.784 -8.204 1.00 0.00 C ATOM 628 CG GLN A 42 -5.867 3.237 -7.204 1.00 0.00 C ATOM 629 CD GLN A 42 -5.673 4.675 -6.764 1.00 0.00 C ATOM 630 OE1 GLN A 42 -4.651 4.912 -5.950 1.00 0.00 O flip ATOM 631 NE2 GLN A 42 -6.433 5.563 -7.151 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.875 2.041 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.100 3.002 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.547 3.626 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.247 2.020 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.856 3.127 -7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.836 2.586 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.206 5.336 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.290 6.526 -6.846 1.00 0.00 H new ATOM 640 N LEU A 43 -3.798 1.234 -5.354 1.00 0.00 N ATOM 641 CA LEU A 43 -4.105 0.176 -4.396 1.00 0.00 C ATOM 642 C LEU A 43 -5.613 0.013 -4.231 1.00 0.00 C ATOM 643 O LEU A 43 -6.369 0.976 -4.353 1.00 0.00 O ATOM 644 CB LEU A 43 -3.462 0.485 -3.043 1.00 0.00 C ATOM 645 CG LEU A 43 -3.540 -0.626 -1.995 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.883 -1.896 -2.512 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.889 -0.178 -0.694 1.00 0.00 C ATOM 0 H LEU A 43 -3.505 2.115 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.697 -0.759 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.412 0.728 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.935 1.378 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.591 -0.840 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.949 -2.675 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.393 -2.227 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.835 -1.697 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.954 -0.981 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.842 0.064 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.405 0.704 -0.314 1.00 0.00 H new ATOM 659 N ALA A 44 -6.042 -1.213 -3.950 1.00 0.00 N ATOM 660 CA ALA A 44 -7.458 -1.503 -3.763 1.00 0.00 C ATOM 661 C ALA A 44 -7.708 -2.180 -2.420 1.00 0.00 C ATOM 662 O ALA A 44 -6.860 -2.919 -1.921 1.00 0.00 O ATOM 663 CB ALA A 44 -7.973 -2.374 -4.899 1.00 0.00 C ATOM 0 H ALA A 44 -5.429 -2.022 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.000 -0.558 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.032 -2.583 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.839 -1.853 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.418 -3.312 -4.919 1.00 0.00 H new ATOM 669 N GLU A 45 -8.876 -1.923 -1.840 1.00 0.00 N ATOM 670 CA GLU A 45 -9.235 -2.507 -0.553 1.00 0.00 C ATOM 671 C GLU A 45 -10.131 -3.728 -0.741 1.00 0.00 C ATOM 672 O GLU A 45 -10.755 -3.898 -1.789 1.00 0.00 O ATOM 673 CB GLU A 45 -9.942 -1.471 0.323 1.00 0.00 C ATOM 674 CG GLU A 45 -9.482 -0.045 0.071 1.00 0.00 C ATOM 675 CD GLU A 45 -10.480 0.985 0.564 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.137 0.730 1.594 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.603 2.047 -0.082 1.00 0.00 O ATOM 0 H GLU A 45 -9.590 -1.314 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.317 -2.824 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.016 -1.533 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.774 -1.718 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.524 0.117 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.317 0.096 -0.997 1.00 0.00 H new ATOM 684 N SER A 46 -10.189 -4.575 0.281 1.00 0.00 N ATOM 685 CA SER A 46 -11.005 -5.782 0.228 1.00 0.00 C ATOM 686 C SER A 46 -11.295 -6.304 1.632 1.00 0.00 C ATOM 687 O SER A 46 -10.783 -5.779 2.619 1.00 0.00 O ATOM 688 CB SER A 46 -10.301 -6.863 -0.595 1.00 0.00 C ATOM 689 OG SER A 46 -9.068 -7.232 -0.003 1.00 0.00 O ATOM 0 H SER A 46 -9.681 -4.448 1.156 1.00 0.00 H new ATOM 0 HA SER A 46 -11.952 -5.530 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.945 -7.739 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.127 -6.498 -1.607 1.00 0.00 H new ATOM 0 HG SER A 46 -8.639 -7.925 -0.547 1.00 0.00 H new ATOM 695 N ASN A 47 -12.121 -7.343 1.712 1.00 0.00 N ATOM 696 CA ASN A 47 -12.480 -7.937 2.994 1.00 0.00 C ATOM 697 C ASN A 47 -11.301 -7.899 3.961 1.00 0.00 C ATOM 698 O ASN A 47 -11.480 -7.740 5.169 1.00 0.00 O ATOM 699 CB ASN A 47 -12.947 -9.381 2.798 1.00 0.00 C ATOM 700 CG ASN A 47 -13.858 -9.536 1.595 1.00 0.00 C ATOM 701 OD1 ASN A 47 -14.903 -8.891 1.507 1.00 0.00 O ATOM 702 ND2 ASN A 47 -13.465 -10.395 0.662 1.00 0.00 N ATOM 0 H ASN A 47 -12.554 -7.790 0.904 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.296 -7.353 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.078 -10.028 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.472 -9.715 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.037 -10.542 -0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.591 -10.908 0.777 1.00 0.00 H new ATOM 709 N ARG A 48 -10.095 -8.045 3.421 1.00 0.00 N ATOM 710 CA ARG A 48 -8.886 -8.028 4.236 1.00 0.00 C ATOM 711 C ARG A 48 -8.254 -6.640 4.241 1.00 0.00 C ATOM 712 O ARG A 48 -8.127 -6.007 5.290 1.00 0.00 O ATOM 713 CB ARG A 48 -7.880 -9.056 3.715 1.00 0.00 C ATOM 714 CG ARG A 48 -8.253 -10.493 4.043 1.00 0.00 C ATOM 715 CD ARG A 48 -7.292 -11.479 3.396 1.00 0.00 C ATOM 716 NE ARG A 48 -7.294 -11.370 1.940 1.00 0.00 N ATOM 717 CZ ARG A 48 -8.186 -11.971 1.160 1.00 0.00 C ATOM 718 NH1 ARG A 48 -9.143 -12.718 1.693 1.00 0.00 N ATOM 719 NH2 ARG A 48 -8.122 -11.824 -0.158 1.00 0.00 N ATOM 0 H ARG A 48 -9.929 -8.176 2.423 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.163 -8.286 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.792 -8.950 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.899 -8.839 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.248 -10.634 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.268 -10.694 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.284 -11.302 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.566 -12.494 3.684 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.572 -10.802 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.196 -12.833 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.826 -13.178 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.388 -11.250 -0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.807 -12.286 -0.756 1.00 0.00 H new ATOM 733 N THR A 49 -7.858 -6.171 3.062 1.00 0.00 N ATOM 734 CA THR A 49 -7.237 -4.859 2.931 1.00 0.00 C ATOM 735 C THR A 49 -8.209 -3.750 3.319 1.00 0.00 C ATOM 736 O THR A 49 -9.399 -3.819 3.012 1.00 0.00 O ATOM 737 CB THR A 49 -6.742 -4.613 1.493 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.956 -5.724 1.049 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.916 -3.338 1.416 1.00 0.00 C ATOM 0 H THR A 49 -7.956 -6.681 2.184 1.00 0.00 H new ATOM 0 HA THR A 49 -6.383 -4.844 3.609 1.00 0.00 H new ATOM 0 HB THR A 49 -7.612 -4.503 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.647 -5.561 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.577 -3.185 0.391 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.526 -2.490 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.052 -3.424 2.075 1.00 0.00 H new ATOM 747 N ARG A 50 -7.693 -2.727 3.994 1.00 0.00 N ATOM 748 CA ARG A 50 -8.516 -1.603 4.424 1.00 0.00 C ATOM 749 C ARG A 50 -7.733 -0.296 4.348 1.00 0.00 C ATOM 750 O ARG A 50 -6.833 -0.053 5.151 1.00 0.00 O ATOM 751 CB ARG A 50 -9.018 -1.828 5.851 1.00 0.00 C ATOM 752 CG ARG A 50 -9.744 -0.628 6.437 1.00 0.00 C ATOM 753 CD ARG A 50 -11.235 -0.680 6.141 1.00 0.00 C ATOM 754 NE ARG A 50 -11.967 0.381 6.828 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.291 0.484 6.820 1.00 0.00 C ATOM 756 NH1 ARG A 50 -14.025 -0.404 6.163 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.884 1.478 7.469 1.00 0.00 N ATOM 0 H ARG A 50 -6.710 -2.654 4.254 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.372 -1.533 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.688 -2.688 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.171 -2.077 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.587 -0.597 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.322 0.290 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.394 -0.593 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.631 -1.649 6.445 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.432 1.081 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.573 -1.169 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.042 -0.322 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.323 2.164 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.901 1.556 7.462 1.00 0.00 H new ATOM 771 N ILE A 51 -8.083 0.542 3.377 1.00 0.00 N ATOM 772 CA ILE A 51 -7.414 1.824 3.197 1.00 0.00 C ATOM 773 C ILE A 51 -8.233 2.961 3.798 1.00 0.00 C ATOM 774 O ILE A 51 -9.225 3.402 3.217 1.00 0.00 O ATOM 775 CB ILE A 51 -7.159 2.122 1.708 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.351 0.990 1.070 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.435 3.450 1.549 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.416 0.978 -0.441 1.00 0.00 C ATOM 0 H ILE A 51 -8.826 0.356 2.703 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.457 1.755 3.715 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.120 2.191 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.310 1.078 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.716 0.036 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.262 3.646 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.044 4.249 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.479 3.408 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.820 0.149 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.451 0.858 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.023 1.917 -0.830 1.00 0.00 H new ATOM 790 N THR A 52 -7.811 3.433 4.967 1.00 0.00 N ATOM 791 CA THR A 52 -8.504 4.520 5.648 1.00 0.00 C ATOM 792 C THR A 52 -7.982 5.877 5.190 1.00 0.00 C ATOM 793 O THR A 52 -8.134 6.879 5.888 1.00 0.00 O ATOM 794 CB THR A 52 -8.352 4.413 7.177 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.965 4.339 7.527 1.00 0.00 O ATOM 796 CG2 THR A 52 -9.080 3.188 7.709 1.00 0.00 C ATOM 0 H THR A 52 -6.992 3.079 5.462 1.00 0.00 H new ATOM 0 HA THR A 52 -9.559 4.433 5.389 1.00 0.00 H new ATOM 0 HB THR A 52 -8.793 5.302 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.524 3.661 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.958 3.134 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.140 3.261 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.664 2.290 7.252 1.00 0.00 H new ATOM 804 N GLY A 53 -7.366 5.903 4.012 1.00 0.00 N ATOM 805 CA GLY A 53 -6.831 7.143 3.482 1.00 0.00 C ATOM 806 C GLY A 53 -5.331 7.253 3.666 1.00 0.00 C ATOM 807 O GLY A 53 -4.578 7.240 2.693 1.00 0.00 O ATOM 0 H GLY A 53 -7.228 5.087 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.070 7.214 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.317 7.985 3.975 1.00 0.00 H new ATOM 811 N GLU A 54 -4.896 7.365 4.917 1.00 0.00 N ATOM 812 CA GLU A 54 -3.475 7.481 5.224 1.00 0.00 C ATOM 813 C GLU A 54 -2.989 6.270 6.015 1.00 0.00 C ATOM 814 O GLU A 54 -1.879 6.268 6.545 1.00 0.00 O ATOM 815 CB GLU A 54 -3.204 8.762 6.014 1.00 0.00 C ATOM 816 CG GLU A 54 -3.292 8.579 7.520 1.00 0.00 C ATOM 817 CD GLU A 54 -3.706 9.848 8.239 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.563 10.582 7.703 1.00 0.00 O ATOM 819 OE2 GLU A 54 -3.173 10.107 9.338 1.00 0.00 O ATOM 0 H GLU A 54 -5.507 7.378 5.734 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.928 7.522 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.211 9.133 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.918 9.526 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.008 7.788 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.325 8.250 7.899 1.00 0.00 H new ATOM 826 N GLU A 55 -3.830 5.242 6.090 1.00 0.00 N ATOM 827 CA GLU A 55 -3.486 4.026 6.817 1.00 0.00 C ATOM 828 C GLU A 55 -4.099 2.800 6.148 1.00 0.00 C ATOM 829 O GLU A 55 -5.296 2.769 5.860 1.00 0.00 O ATOM 830 CB GLU A 55 -3.964 4.121 8.268 1.00 0.00 C ATOM 831 CG GLU A 55 -2.941 4.738 9.207 1.00 0.00 C ATOM 832 CD GLU A 55 -3.445 4.841 10.633 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.196 5.795 10.929 1.00 0.00 O ATOM 834 OE2 GLU A 55 -3.089 3.970 11.453 1.00 0.00 O ATOM 0 H GLU A 55 -4.753 5.228 5.656 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.401 3.921 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.879 4.712 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.216 3.122 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.030 4.139 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.676 5.732 8.847 1.00 0.00 H new ATOM 841 N VAL A 56 -3.270 1.790 5.902 1.00 0.00 N ATOM 842 CA VAL A 56 -3.729 0.561 5.267 1.00 0.00 C ATOM 843 C VAL A 56 -3.687 -0.610 6.242 1.00 0.00 C ATOM 844 O VAL A 56 -2.750 -0.742 7.028 1.00 0.00 O ATOM 845 CB VAL A 56 -2.878 0.216 4.030 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.299 -1.125 3.450 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.987 1.317 2.985 1.00 0.00 C ATOM 0 H VAL A 56 -2.277 1.799 6.133 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.759 0.732 4.954 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.835 0.140 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.687 -1.352 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.164 -1.904 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.348 -1.081 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.380 1.057 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.028 1.427 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.632 2.257 3.408 1.00 0.00 H new ATOM 857 N GLU A 57 -4.709 -1.459 6.184 1.00 0.00 N ATOM 858 CA GLU A 57 -4.788 -2.619 7.063 1.00 0.00 C ATOM 859 C GLU A 57 -5.295 -3.843 6.304 1.00 0.00 C ATOM 860 O GLU A 57 -6.420 -3.855 5.804 1.00 0.00 O ATOM 861 CB GLU A 57 -5.707 -2.326 8.251 1.00 0.00 C ATOM 862 CG GLU A 57 -5.980 -3.539 9.123 1.00 0.00 C ATOM 863 CD GLU A 57 -7.083 -3.294 10.135 1.00 0.00 C ATOM 864 OE1 GLU A 57 -7.397 -2.114 10.397 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.632 -4.283 10.664 1.00 0.00 O ATOM 0 H GLU A 57 -5.493 -1.365 5.538 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.785 -2.831 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.258 -1.543 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.654 -1.936 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.254 -4.383 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.066 -3.818 9.648 1.00 0.00 H new ATOM 872 N VAL A 58 -4.456 -4.870 6.222 1.00 0.00 N ATOM 873 CA VAL A 58 -4.818 -6.099 5.525 1.00 0.00 C ATOM 874 C VAL A 58 -4.805 -7.293 6.473 1.00 0.00 C ATOM 875 O VAL A 58 -3.746 -7.723 6.930 1.00 0.00 O ATOM 876 CB VAL A 58 -3.863 -6.380 4.350 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.441 -7.449 3.435 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.580 -5.101 3.576 1.00 0.00 C ATOM 0 H VAL A 58 -3.521 -4.876 6.629 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.827 -5.957 5.138 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.920 -6.751 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.752 -7.634 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.588 -8.370 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.398 -7.110 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.904 -5.318 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.514 -4.699 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.119 -4.369 4.239 1.00 0.00 H new ATOM 888 N GLN A 59 -5.988 -7.823 6.764 1.00 0.00 N ATOM 889 CA GLN A 59 -6.112 -8.968 7.659 1.00 0.00 C ATOM 890 C GLN A 59 -5.696 -10.256 6.956 1.00 0.00 C ATOM 891 O GLN A 59 -5.996 -10.457 5.779 1.00 0.00 O ATOM 892 CB GLN A 59 -7.550 -9.092 8.167 1.00 0.00 C ATOM 893 CG GLN A 59 -7.997 -7.915 9.019 1.00 0.00 C ATOM 894 CD GLN A 59 -9.330 -8.160 9.699 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.495 -9.134 10.435 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.290 -7.276 9.456 1.00 0.00 N ATOM 0 H GLN A 59 -6.874 -7.479 6.394 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.447 -8.807 8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.221 -9.188 7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.643 -10.008 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.240 -7.711 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.071 -7.026 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.110 -6.484 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.208 -7.389 9.886 1.00 0.00 H new ATOM 905 N ASP A 60 -5.005 -11.125 7.684 1.00 0.00 N ATOM 906 CA ASP A 60 -4.548 -12.394 7.131 1.00 0.00 C ATOM 907 C ASP A 60 -3.657 -12.167 5.913 1.00 0.00 C ATOM 908 O ASP A 60 -3.788 -12.853 4.899 1.00 0.00 O ATOM 909 CB ASP A 60 -5.744 -13.268 6.747 1.00 0.00 C ATOM 910 CG ASP A 60 -5.413 -14.747 6.777 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.695 -15.213 5.869 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.874 -15.439 7.709 1.00 0.00 O ATOM 0 H ASP A 60 -4.749 -10.974 8.660 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.964 -12.906 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.570 -13.069 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.084 -12.995 5.748 1.00 0.00 H new ATOM 917 N SER A 61 -2.752 -11.200 6.021 1.00 0.00 N ATOM 918 CA SER A 61 -1.843 -10.879 4.927 1.00 0.00 C ATOM 919 C SER A 61 -1.328 -12.149 4.257 1.00 0.00 C ATOM 920 O SER A 61 -1.431 -13.243 4.813 1.00 0.00 O ATOM 921 CB SER A 61 -0.666 -10.047 5.442 1.00 0.00 C ATOM 922 OG SER A 61 0.219 -10.840 6.215 1.00 0.00 O ATOM 0 H SER A 61 -2.629 -10.625 6.855 1.00 0.00 H new ATOM 0 HA SER A 61 -2.395 -10.298 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.128 -9.612 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.038 -9.219 6.045 1.00 0.00 H new ATOM 0 HG SER A 61 0.963 -10.286 6.531 1.00 0.00 H new ATOM 928 N VAL A 62 -0.774 -11.996 3.059 1.00 0.00 N ATOM 929 CA VAL A 62 -0.242 -13.130 2.312 1.00 0.00 C ATOM 930 C VAL A 62 1.002 -12.734 1.524 1.00 0.00 C ATOM 931 O VAL A 62 1.257 -11.557 1.270 1.00 0.00 O ATOM 932 CB VAL A 62 -1.290 -13.704 1.341 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.109 -14.791 2.021 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.191 -12.597 0.815 1.00 0.00 C ATOM 0 H VAL A 62 -0.682 -11.098 2.584 1.00 0.00 H new ATOM 0 HA VAL A 62 0.022 -13.894 3.043 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.769 -14.151 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.844 -15.185 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.449 -15.596 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.622 -14.372 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.926 -13.020 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.705 -12.119 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.589 -11.857 0.288 1.00 0.00 H new ATOM 944 N PRO A 63 1.795 -13.740 1.127 1.00 0.00 N ATOM 945 CA PRO A 63 3.026 -13.522 0.360 1.00 0.00 C ATOM 946 C PRO A 63 2.746 -13.050 -1.062 1.00 0.00 C ATOM 947 O PRO A 63 3.666 -12.881 -1.862 1.00 0.00 O ATOM 948 CB PRO A 63 3.684 -14.904 0.346 1.00 0.00 C ATOM 949 CG PRO A 63 2.556 -15.862 0.517 1.00 0.00 C ATOM 950 CD PRO A 63 1.552 -15.167 1.394 1.00 0.00 C ATOM 0 HA PRO A 63 3.649 -12.743 0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.215 -15.080 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.413 -15.003 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.118 -16.125 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.898 -16.790 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.531 -15.455 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.701 -15.410 2.446 1.00 0.00 H new ATOM 958 N ALA A 64 1.471 -12.837 -1.371 1.00 0.00 N ATOM 959 CA ALA A 64 1.072 -12.382 -2.697 1.00 0.00 C ATOM 960 C ALA A 64 0.704 -10.902 -2.681 1.00 0.00 C ATOM 961 O ALA A 64 0.816 -10.214 -3.696 1.00 0.00 O ATOM 962 CB ALA A 64 -0.095 -13.212 -3.210 1.00 0.00 C ATOM 0 H ALA A 64 0.697 -12.972 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 64 1.920 -12.512 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.383 -12.862 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.201 -14.259 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.941 -13.111 -2.530 1.00 0.00 H new ATOM 968 N ASP A 65 0.264 -10.419 -1.525 1.00 0.00 N ATOM 969 CA ASP A 65 -0.120 -9.020 -1.377 1.00 0.00 C ATOM 970 C ASP A 65 1.108 -8.138 -1.170 1.00 0.00 C ATOM 971 O ASP A 65 1.106 -6.960 -1.528 1.00 0.00 O ATOM 972 CB ASP A 65 -1.085 -8.855 -0.202 1.00 0.00 C ATOM 973 CG ASP A 65 -2.348 -9.676 -0.371 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.695 -10.000 -1.526 1.00 0.00 O ATOM 975 OD2 ASP A 65 -2.991 -9.994 0.651 1.00 0.00 O ATOM 0 H ASP A 65 0.164 -10.976 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.619 -8.707 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.584 -9.150 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.350 -7.803 -0.098 1.00 0.00 H new ATOM 980 N SER A 66 2.154 -8.716 -0.589 1.00 0.00 N ATOM 981 CA SER A 66 3.387 -7.982 -0.330 1.00 0.00 C ATOM 982 C SER A 66 3.813 -7.185 -1.559 1.00 0.00 C ATOM 983 O SER A 66 3.227 -7.317 -2.632 1.00 0.00 O ATOM 984 CB SER A 66 4.503 -8.945 0.080 1.00 0.00 C ATOM 985 OG SER A 66 4.899 -9.759 -1.010 1.00 0.00 O ATOM 0 H SER A 66 2.172 -9.691 -0.289 1.00 0.00 H new ATOM 0 HA SER A 66 3.201 -7.285 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.360 -8.379 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.162 -9.574 0.902 1.00 0.00 H new ATOM 0 HG SER A 66 5.614 -10.364 -0.723 1.00 0.00 H new ATOM 991 N GLY A 67 4.840 -6.356 -1.393 1.00 0.00 N ATOM 992 CA GLY A 67 5.329 -5.550 -2.496 1.00 0.00 C ATOM 993 C GLY A 67 5.879 -4.214 -2.038 1.00 0.00 C ATOM 994 O GLY A 67 6.399 -4.096 -0.927 1.00 0.00 O ATOM 0 H GLY A 67 5.342 -6.229 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.108 -6.098 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.519 -5.382 -3.206 1.00 0.00 H new ATOM 998 N LEU A 68 5.767 -3.205 -2.894 1.00 0.00 N ATOM 999 CA LEU A 68 6.259 -1.870 -2.573 1.00 0.00 C ATOM 1000 C LEU A 68 5.128 -0.847 -2.618 1.00 0.00 C ATOM 1001 O LEU A 68 4.770 -0.349 -3.686 1.00 0.00 O ATOM 1002 CB LEU A 68 7.367 -1.465 -3.546 1.00 0.00 C ATOM 1003 CG LEU A 68 7.992 -0.088 -3.317 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.789 -0.072 -2.022 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.874 0.300 -4.495 1.00 0.00 C ATOM 0 H LEU A 68 5.339 -3.286 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 68 6.663 -1.893 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.158 -2.213 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.963 -1.495 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 68 7.190 0.645 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.226 0.916 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.129 -0.304 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.584 -0.816 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.310 1.282 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.670 -0.435 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.274 0.331 -5.404 1.00 0.00 H new ATOM 1017 N TYR A 69 4.571 -0.537 -1.453 1.00 0.00 N ATOM 1018 CA TYR A 69 3.480 0.427 -1.360 1.00 0.00 C ATOM 1019 C TYR A 69 4.008 1.856 -1.441 1.00 0.00 C ATOM 1020 O TYR A 69 5.098 2.156 -0.954 1.00 0.00 O ATOM 1021 CB TYR A 69 2.708 0.230 -0.054 1.00 0.00 C ATOM 1022 CG TYR A 69 1.985 -1.096 0.027 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.688 -2.284 0.189 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.600 -1.160 -0.056 1.00 0.00 C ATOM 1025 CE1 TYR A 69 2.031 -3.497 0.263 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.065 -2.369 0.019 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.655 -3.534 0.178 1.00 0.00 C ATOM 1028 OH TYR A 69 -0.002 -4.741 0.253 1.00 0.00 O ATOM 0 H TYR A 69 4.856 -0.939 -0.560 1.00 0.00 H new ATOM 0 HA TYR A 69 2.807 0.259 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.401 0.308 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.983 1.037 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.765 -2.258 0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.033 -0.249 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.592 -4.412 0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.143 -2.401 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 69 0.444 -5.393 -0.327 1.00 0.00 H new ATOM 1038 N ALA A 70 3.225 2.735 -2.059 1.00 0.00 N ATOM 1039 CA ALA A 70 3.611 4.133 -2.203 1.00 0.00 C ATOM 1040 C ALA A 70 2.402 5.052 -2.069 1.00 0.00 C ATOM 1041 O ALA A 70 1.482 5.008 -2.886 1.00 0.00 O ATOM 1042 CB ALA A 70 4.300 4.356 -3.541 1.00 0.00 C ATOM 0 H ALA A 70 2.320 2.503 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 70 4.310 4.375 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.583 5.405 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.193 3.733 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.619 4.090 -4.350 1.00 0.00 H new ATOM 1048 N CYS A 71 2.409 5.884 -1.033 1.00 0.00 N ATOM 1049 CA CYS A 71 1.312 6.814 -0.790 1.00 0.00 C ATOM 1050 C CYS A 71 1.648 8.203 -1.325 1.00 0.00 C ATOM 1051 O CYS A 71 2.689 8.772 -0.995 1.00 0.00 O ATOM 1052 CB CYS A 71 1.004 6.892 0.706 1.00 0.00 C ATOM 1053 SG CYS A 71 2.029 8.094 1.615 1.00 0.00 S ATOM 0 H CYS A 71 3.163 5.933 -0.348 1.00 0.00 H new ATOM 0 HA CYS A 71 0.432 6.445 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.046 7.154 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.144 5.905 1.147 1.00 0.00 H new ATOM 1058 N VAL A 72 0.760 8.743 -2.153 1.00 0.00 N ATOM 1059 CA VAL A 72 0.961 10.066 -2.733 1.00 0.00 C ATOM 1060 C VAL A 72 -0.086 11.052 -2.227 1.00 0.00 C ATOM 1061 O VAL A 72 -1.282 10.882 -2.464 1.00 0.00 O ATOM 1062 CB VAL A 72 0.905 10.019 -4.272 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.461 11.303 -4.866 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.662 8.807 -4.795 1.00 0.00 C ATOM 0 H VAL A 72 -0.106 8.285 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 72 1.951 10.401 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.137 9.928 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.413 11.251 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.871 12.151 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.498 11.429 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.612 8.789 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.704 8.865 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.213 7.897 -4.396 1.00 0.00 H new ATOM 1074 N THR A 73 0.372 12.087 -1.529 1.00 0.00 N ATOM 1075 CA THR A 73 -0.524 13.101 -0.989 1.00 0.00 C ATOM 1076 C THR A 73 -0.489 14.371 -1.832 1.00 0.00 C ATOM 1077 O THR A 73 0.582 14.887 -2.151 1.00 0.00 O ATOM 1078 CB THR A 73 -0.161 13.455 0.466 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.095 14.142 0.504 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.085 12.201 1.324 1.00 0.00 C ATOM 0 H THR A 73 1.359 12.244 -1.325 1.00 0.00 H new ATOM 0 HA THR A 73 -1.529 12.679 -1.013 1.00 0.00 H new ATOM 0 HB THR A 73 -0.941 14.103 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.209 14.660 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.173 12.475 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.051 11.696 1.316 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.678 11.532 0.925 1.00 0.00 H new ATOM 1088 N SER A 74 -1.668 14.871 -2.190 1.00 0.00 N ATOM 1089 CA SER A 74 -1.772 16.079 -2.999 1.00 0.00 C ATOM 1090 C SER A 74 -1.735 17.326 -2.121 1.00 0.00 C ATOM 1091 O SER A 74 -2.634 17.556 -1.312 1.00 0.00 O ATOM 1092 CB SER A 74 -3.062 16.059 -3.821 1.00 0.00 C ATOM 1093 OG SER A 74 -2.925 15.234 -4.965 1.00 0.00 O ATOM 0 H SER A 74 -2.564 14.458 -1.932 1.00 0.00 H new ATOM 0 HA SER A 74 -0.918 16.107 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.884 15.697 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.317 17.073 -4.129 1.00 0.00 H new ATOM 0 HG SER A 74 -3.763 15.237 -5.473 1.00 0.00 H new ATOM 1153 N ASP A 80 3.728 14.793 -2.454 1.00 0.00 N ATOM 1154 CA ASP A 80 4.771 13.981 -1.838 1.00 0.00 C ATOM 1155 C ASP A 80 4.585 12.506 -2.179 1.00 0.00 C ATOM 1156 O ASP A 80 3.687 12.141 -2.938 1.00 0.00 O ATOM 1157 CB ASP A 80 4.766 14.172 -0.321 1.00 0.00 C ATOM 1158 CG ASP A 80 6.145 14.007 0.288 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.043 14.803 -0.054 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.325 13.080 1.106 1.00 0.00 O ATOM 0 HA ASP A 80 5.733 14.307 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.384 15.165 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.084 13.452 0.131 1.00 0.00 H new ATOM 1165 N THR A 81 5.440 11.660 -1.613 1.00 0.00 N ATOM 1166 CA THR A 81 5.372 10.225 -1.859 1.00 0.00 C ATOM 1167 C THR A 81 6.103 9.446 -0.772 1.00 0.00 C ATOM 1168 O THR A 81 7.257 9.738 -0.452 1.00 0.00 O ATOM 1169 CB THR A 81 5.973 9.860 -3.229 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.524 10.787 -4.224 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.582 8.447 -3.632 1.00 0.00 C ATOM 0 H THR A 81 6.188 11.944 -0.981 1.00 0.00 H new ATOM 0 HA THR A 81 4.317 9.953 -1.850 1.00 0.00 H new ATOM 0 HB THR A 81 7.059 9.911 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.613 11.078 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.018 8.212 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.951 7.741 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.496 8.374 -3.695 1.00 0.00 H new ATOM 1179 N THR A 82 5.426 8.452 -0.205 1.00 0.00 N ATOM 1180 CA THR A 82 6.012 7.631 0.847 1.00 0.00 C ATOM 1181 C THR A 82 5.982 6.153 0.472 1.00 0.00 C ATOM 1182 O THR A 82 4.912 5.563 0.322 1.00 0.00 O ATOM 1183 CB THR A 82 5.276 7.824 2.186 1.00 0.00 C ATOM 1184 OG1 THR A 82 4.727 9.145 2.257 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.217 7.596 3.359 1.00 0.00 C ATOM 0 H THR A 82 4.471 8.196 -0.457 1.00 0.00 H new ATOM 0 HA THR A 82 7.047 7.954 0.960 1.00 0.00 H new ATOM 0 HB THR A 82 4.470 7.093 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.845 9.156 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.674 7.738 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.610 6.580 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.042 8.306 3.307 1.00 0.00 H new ATOM 1193 N TYR A 83 7.162 5.562 0.322 1.00 0.00 N ATOM 1194 CA TYR A 83 7.270 4.153 -0.037 1.00 0.00 C ATOM 1195 C TYR A 83 7.267 3.271 1.208 1.00 0.00 C ATOM 1196 O TYR A 83 7.571 3.731 2.309 1.00 0.00 O ATOM 1197 CB TYR A 83 8.545 3.908 -0.846 1.00 0.00 C ATOM 1198 CG TYR A 83 8.532 4.562 -2.209 1.00 0.00 C ATOM 1199 CD1 TYR A 83 7.936 3.936 -3.297 1.00 0.00 C ATOM 1200 CD2 TYR A 83 9.118 5.806 -2.410 1.00 0.00 C ATOM 1201 CE1 TYR A 83 7.922 4.530 -4.544 1.00 0.00 C ATOM 1202 CE2 TYR A 83 9.108 6.408 -3.654 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.509 5.766 -4.717 1.00 0.00 C ATOM 1204 OH TYR A 83 8.498 6.361 -5.958 1.00 0.00 O ATOM 0 H TYR A 83 8.057 6.036 0.443 1.00 0.00 H new ATOM 0 HA TYR A 83 6.405 3.892 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.400 4.280 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.687 2.834 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 83 7.476 2.968 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 83 9.589 6.311 -1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.454 4.029 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.567 7.376 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 83 8.952 7.228 -5.909 1.00 0.00 H new ATOM 1214 N PHE A 84 6.922 2.001 1.024 1.00 0.00 N ATOM 1215 CA PHE A 84 6.879 1.053 2.132 1.00 0.00 C ATOM 1216 C PHE A 84 7.164 -0.365 1.645 1.00 0.00 C ATOM 1217 O PHE A 84 6.322 -0.993 1.003 1.00 0.00 O ATOM 1218 CB PHE A 84 5.513 1.103 2.821 1.00 0.00 C ATOM 1219 CG PHE A 84 5.057 2.497 3.147 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.336 3.237 2.224 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.349 3.066 4.376 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.916 4.520 2.521 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.931 4.348 4.679 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.213 5.076 3.750 1.00 0.00 C ATOM 0 H PHE A 84 6.668 1.604 0.119 1.00 0.00 H new ATOM 0 HA PHE A 84 7.650 1.334 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.773 0.628 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.557 0.519 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.100 2.807 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.910 2.501 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.356 5.087 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.165 4.780 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.885 6.078 3.984 1.00 0.00 H new ATOM 1234 N SER A 85 8.357 -0.862 1.956 1.00 0.00 N ATOM 1235 CA SER A 85 8.756 -2.204 1.548 1.00 0.00 C ATOM 1236 C SER A 85 8.131 -3.257 2.458 1.00 0.00 C ATOM 1237 O SER A 85 8.503 -3.386 3.624 1.00 0.00 O ATOM 1238 CB SER A 85 10.280 -2.334 1.569 1.00 0.00 C ATOM 1239 OG SER A 85 10.675 -3.695 1.585 1.00 0.00 O ATOM 0 H SER A 85 9.064 -0.356 2.489 1.00 0.00 H new ATOM 0 HA SER A 85 8.399 -2.370 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.702 -1.840 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.680 -1.826 2.447 1.00 0.00 H new ATOM 0 HG SER A 85 11.653 -3.752 1.597 1.00 0.00 H new ATOM 1245 N VAL A 86 7.178 -4.008 1.916 1.00 0.00 N ATOM 1246 CA VAL A 86 6.501 -5.052 2.677 1.00 0.00 C ATOM 1247 C VAL A 86 6.962 -6.438 2.240 1.00 0.00 C ATOM 1248 O VAL A 86 7.358 -6.638 1.093 1.00 0.00 O ATOM 1249 CB VAL A 86 4.972 -4.959 2.520 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.289 -6.104 3.251 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.466 -3.616 3.024 1.00 0.00 C ATOM 0 H VAL A 86 6.857 -3.913 0.953 1.00 0.00 H new ATOM 0 HA VAL A 86 6.761 -4.899 3.724 1.00 0.00 H new ATOM 0 HB VAL A 86 4.727 -5.040 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.209 -6.021 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.629 -7.054 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.538 -6.059 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.384 -3.567 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.721 -3.503 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.930 -2.814 2.450 1.00 0.00 H new ATOM 1261 N ASN A 87 6.908 -7.392 3.164 1.00 0.00 N ATOM 1262 CA ASN A 87 7.320 -8.760 2.874 1.00 0.00 C ATOM 1263 C ASN A 87 6.546 -9.755 3.734 1.00 0.00 C ATOM 1264 O ASN A 87 6.807 -9.895 4.928 1.00 0.00 O ATOM 1265 CB ASN A 87 8.823 -8.924 3.114 1.00 0.00 C ATOM 1266 CG ASN A 87 9.441 -9.973 2.211 1.00 0.00 C ATOM 1267 OD1 ASN A 87 10.253 -9.658 1.340 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.060 -11.229 2.415 1.00 0.00 N ATOM 0 H ASN A 87 6.583 -7.243 4.119 1.00 0.00 H new ATOM 0 HA ASN A 87 7.101 -8.964 1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.321 -7.968 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.994 -9.198 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.443 -11.978 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.384 -11.444 3.148 1.00 0.00 H new ATOM 1275 N VAL A 88 5.591 -10.444 3.116 1.00 0.00 N ATOM 1276 CA VAL A 88 4.780 -11.428 3.823 1.00 0.00 C ATOM 1277 C VAL A 88 5.270 -12.845 3.549 1.00 0.00 C ATOM 1278 O VAL A 88 5.252 -13.309 2.409 1.00 0.00 O ATOM 1279 CB VAL A 88 3.296 -11.323 3.423 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.458 -12.317 4.212 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.788 -9.904 3.628 1.00 0.00 C ATOM 0 H VAL A 88 5.361 -10.339 2.128 1.00 0.00 H new ATOM 0 HA VAL A 88 4.879 -11.213 4.887 1.00 0.00 H new ATOM 0 HB VAL A 88 3.205 -11.568 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.413 -12.228 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.808 -13.329 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.552 -12.107 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.738 -9.848 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.892 -9.628 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.370 -9.217 3.013 1.00 0.00 H new ATOM 1291 N SER A 89 5.708 -13.528 4.602 1.00 0.00 N ATOM 1292 CA SER A 89 6.207 -14.892 4.474 1.00 0.00 C ATOM 1293 C SER A 89 6.174 -15.611 5.819 1.00 0.00 C ATOM 1294 O SER A 89 6.427 -15.009 6.863 1.00 0.00 O ATOM 1295 CB SER A 89 7.633 -14.886 3.921 1.00 0.00 C ATOM 1296 OG SER A 89 7.989 -16.161 3.414 1.00 0.00 O ATOM 0 H SER A 89 5.727 -13.159 5.553 1.00 0.00 H new ATOM 0 HA SER A 89 5.558 -15.426 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.717 -14.140 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.330 -14.596 4.707 1.00 0.00 H new ATOM 0 HG SER A 89 8.904 -16.130 3.065 1.00 0.00 H new ATOM 1302 N ASP A 90 5.861 -16.901 5.786 1.00 0.00 N ATOM 1303 CA ASP A 90 5.795 -17.704 7.002 1.00 0.00 C ATOM 1304 C ASP A 90 7.163 -17.785 7.674 1.00 0.00 C ATOM 1305 O ASP A 90 7.268 -18.138 8.848 1.00 0.00 O ATOM 1306 CB ASP A 90 5.286 -19.110 6.683 1.00 0.00 C ATOM 1307 CG ASP A 90 5.842 -19.646 5.378 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.972 -20.177 5.389 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.148 -19.533 4.346 1.00 0.00 O ATOM 0 H ASP A 90 5.649 -17.414 4.930 1.00 0.00 H new ATOM 0 HA ASP A 90 5.100 -17.222 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.558 -19.785 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.197 -19.096 6.632 1.00 0.00 H new