USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ -138:sc= 0.658! (180deg=-1.31!) USER MOD Set 1.2: A 88 THR OG1 : rot -111:sc= -0.108 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.16! C(o=-2.2!,f=-10!) USER MOD Single : A 60 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.7) USER MOD Single : A 62 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD Single : A 64 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0911 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc=-0.000818 X(o=-0.00082,f=-0.025) USER MOD Single : A 79 ASN : amide:sc= -0.458 K(o=-0.46,f=-3!) USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.0506 USER MOD Single : A 87 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.818 K(o=-0.82,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.574 4.249 7.065 1.00 0.00 N ATOM 86 CA GLU A 9 -9.964 4.577 8.342 1.00 0.00 C ATOM 87 C GLU A 9 -8.444 4.668 8.197 1.00 0.00 C ATOM 88 O GLU A 9 -7.752 3.651 8.223 1.00 0.00 O ATOM 89 CB GLU A 9 -10.353 3.557 9.414 1.00 0.00 C ATOM 90 CG GLU A 9 -9.193 3.308 10.380 1.00 0.00 C ATOM 91 CD GLU A 9 -9.703 2.805 11.731 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.650 3.434 12.250 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.135 1.802 12.215 1.00 0.00 O ATOM 0 HA GLU A 9 -10.337 5.550 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.220 3.918 9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.644 2.619 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.508 2.577 9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.628 4.230 10.521 1.00 0.00 H new ATOM 100 N LEU A 10 -7.968 5.896 8.048 1.00 0.00 N ATOM 101 CA LEU A 10 -6.542 6.133 7.899 1.00 0.00 C ATOM 102 C LEU A 10 -5.938 6.462 9.266 1.00 0.00 C ATOM 103 O LEU A 10 -6.209 7.522 9.829 1.00 0.00 O ATOM 104 CB LEU A 10 -6.285 7.205 6.838 1.00 0.00 C ATOM 105 CG LEU A 10 -6.857 6.924 5.448 1.00 0.00 C ATOM 106 CD1 LEU A 10 -7.069 5.424 5.235 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.140 7.724 5.211 1.00 0.00 C ATOM 0 H LEU A 10 -8.545 6.737 8.027 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.042 5.234 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.699 8.148 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.208 7.344 6.744 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.130 7.255 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.476 5.252 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.116 4.904 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.766 5.045 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.526 7.506 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.884 7.447 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.924 8.789 5.291 1.00 0.00 H new ATOM 119 N PHE A 11 -5.132 5.535 9.760 1.00 0.00 N ATOM 120 CA PHE A 11 -4.488 5.713 11.050 1.00 0.00 C ATOM 121 C PHE A 11 -2.991 5.409 10.962 1.00 0.00 C ATOM 122 O PHE A 11 -2.589 4.422 10.347 1.00 0.00 O ATOM 123 CB PHE A 11 -5.141 4.724 12.017 1.00 0.00 C ATOM 124 CG PHE A 11 -5.145 3.277 11.519 1.00 0.00 C ATOM 125 CD1 PHE A 11 -6.042 2.885 10.575 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.251 2.383 12.021 1.00 0.00 C ATOM 127 CE1 PHE A 11 -6.045 1.542 10.113 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.254 1.041 11.559 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.151 0.648 10.615 1.00 0.00 C ATOM 0 H PHE A 11 -4.910 4.657 9.290 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.603 6.744 11.384 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.618 4.767 12.973 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.169 5.037 12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.752 3.595 10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.539 2.694 12.771 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.757 1.231 9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.544 0.332 11.957 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.153 -0.373 10.264 1.00 0.00 H new ATOM 139 N PRO A 12 -2.185 6.297 11.603 1.00 0.00 N ATOM 140 CA PRO A 12 -0.741 6.133 11.604 1.00 0.00 C ATOM 141 C PRO A 12 -0.317 5.011 12.553 1.00 0.00 C ATOM 142 O PRO A 12 -0.805 4.927 13.679 1.00 0.00 O ATOM 143 CB PRO A 12 -0.191 7.492 12.007 1.00 0.00 C ATOM 144 CG PRO A 12 -1.345 8.230 12.665 1.00 0.00 C ATOM 145 CD PRO A 12 -2.625 7.477 12.342 1.00 0.00 C ATOM 0 HA PRO A 12 -0.351 5.833 10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.648 7.386 12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.177 8.038 11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.197 8.286 13.743 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.402 9.255 12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.160 7.199 13.250 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.304 8.087 11.746 1.00 0.00 H new ATOM 153 N VAL A 13 0.588 4.176 12.063 1.00 0.00 N ATOM 154 CA VAL A 13 1.083 3.062 12.854 1.00 0.00 C ATOM 155 C VAL A 13 2.613 3.098 12.876 1.00 0.00 C ATOM 156 O VAL A 13 3.253 3.070 11.827 1.00 0.00 O ATOM 157 CB VAL A 13 0.525 1.745 12.311 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.317 0.551 12.846 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.964 1.605 12.636 1.00 0.00 C ATOM 0 H VAL A 13 0.991 4.249 11.129 1.00 0.00 H new ATOM 0 HA VAL A 13 0.740 3.144 13.885 1.00 0.00 H new ATOM 0 HB VAL A 13 0.632 1.758 11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.899 -0.372 12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.360 0.640 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.257 0.533 13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.336 0.660 12.239 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.104 1.624 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.514 2.430 12.184 1.00 0.00 H new ATOM 169 N GLU A 14 3.154 3.161 14.084 1.00 0.00 N ATOM 170 CA GLU A 14 4.596 3.202 14.257 1.00 0.00 C ATOM 171 C GLU A 14 5.174 1.786 14.231 1.00 0.00 C ATOM 172 O GLU A 14 4.622 0.874 14.846 1.00 0.00 O ATOM 173 CB GLU A 14 4.972 3.924 15.553 1.00 0.00 C ATOM 174 CG GLU A 14 4.762 5.433 15.420 1.00 0.00 C ATOM 175 CD GLU A 14 3.896 5.968 16.563 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.302 5.762 17.727 1.00 0.00 O ATOM 177 OE2 GLU A 14 2.848 6.572 16.247 1.00 0.00 O ATOM 0 H GLU A 14 2.619 3.185 14.952 1.00 0.00 H new ATOM 0 HA GLU A 14 5.026 3.764 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.368 3.540 16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.014 3.718 15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.727 5.940 15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.287 5.655 14.464 1.00 0.00 H new ATOM 184 N LEU A 15 6.278 1.645 13.512 1.00 0.00 N ATOM 185 CA LEU A 15 6.937 0.355 13.397 1.00 0.00 C ATOM 186 C LEU A 15 8.453 0.561 13.381 1.00 0.00 C ATOM 187 O LEU A 15 8.966 1.362 12.601 1.00 0.00 O ATOM 188 CB LEU A 15 6.407 -0.411 12.183 1.00 0.00 C ATOM 189 CG LEU A 15 5.596 -1.672 12.487 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.371 -2.498 11.219 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.255 -2.494 13.597 1.00 0.00 C ATOM 0 H LEU A 15 6.733 2.403 13.003 1.00 0.00 H new ATOM 0 HA LEU A 15 6.709 -0.268 14.262 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.785 0.264 11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.254 -0.690 11.556 1.00 0.00 H new ATOM 0 HG LEU A 15 4.615 -1.367 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.792 -3.389 11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.827 -1.901 10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.334 -2.794 10.802 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.658 -3.385 13.793 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.257 -2.790 13.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.320 -1.894 14.504 1.00 0.00 H new ATOM 203 N GLU A 16 9.127 -0.176 14.252 1.00 0.00 N ATOM 204 CA GLU A 16 10.574 -0.084 14.348 1.00 0.00 C ATOM 205 C GLU A 16 11.232 -1.179 13.506 1.00 0.00 C ATOM 206 O GLU A 16 10.907 -2.357 13.649 1.00 0.00 O ATOM 207 CB GLU A 16 11.033 -0.162 15.805 1.00 0.00 C ATOM 208 CG GLU A 16 11.241 1.236 16.390 1.00 0.00 C ATOM 209 CD GLU A 16 12.150 1.186 17.620 1.00 0.00 C ATOM 210 OE1 GLU A 16 11.664 0.701 18.665 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.309 1.634 17.488 1.00 0.00 O ATOM 0 H GLU A 16 8.698 -0.839 14.897 1.00 0.00 H new ATOM 0 HA GLU A 16 10.884 0.885 13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.291 -0.700 16.395 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.962 -0.728 15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.680 1.888 15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.278 1.667 16.663 1.00 0.00 H new ATOM 218 N LYS A 17 12.146 -0.752 12.647 1.00 0.00 N ATOM 219 CA LYS A 17 12.853 -1.681 11.782 1.00 0.00 C ATOM 220 C LYS A 17 13.669 -2.650 12.641 1.00 0.00 C ATOM 221 O LYS A 17 14.114 -2.294 13.731 1.00 0.00 O ATOM 222 CB LYS A 17 13.687 -0.923 10.749 1.00 0.00 C ATOM 223 CG LYS A 17 12.798 -0.336 9.650 1.00 0.00 C ATOM 224 CD LYS A 17 13.632 0.430 8.621 1.00 0.00 C ATOM 225 CE LYS A 17 13.078 0.232 7.209 1.00 0.00 C ATOM 226 NZ LYS A 17 13.891 0.979 6.223 1.00 0.00 N ATOM 0 H LYS A 17 12.413 0.226 12.532 1.00 0.00 H new ATOM 0 HA LYS A 17 12.146 -2.280 11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.241 -0.123 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.423 -1.595 10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.249 -1.137 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.058 0.331 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.636 1.492 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.667 0.090 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.076 -0.829 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.043 0.571 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.263 1.440 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.455 1.701 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.526 0.321 5.727 1.00 0.00 H new ATOM 240 N ASP A 18 13.841 -3.854 12.117 1.00 0.00 N ATOM 241 CA ASP A 18 14.597 -4.876 12.821 1.00 0.00 C ATOM 242 C ASP A 18 15.772 -5.327 11.951 1.00 0.00 C ATOM 243 O ASP A 18 15.905 -4.892 10.808 1.00 0.00 O ATOM 244 CB ASP A 18 13.727 -6.101 13.113 1.00 0.00 C ATOM 245 CG ASP A 18 12.225 -5.888 12.917 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.722 -4.871 13.441 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.613 -6.748 12.247 1.00 0.00 O ATOM 0 H ASP A 18 13.470 -4.145 11.213 1.00 0.00 H new ATOM 0 HA ASP A 18 14.947 -4.449 13.761 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.050 -6.919 12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.903 -6.416 14.141 1.00 0.00 H new ATOM 252 N GLU A 19 16.594 -6.193 12.526 1.00 0.00 N ATOM 253 CA GLU A 19 17.753 -6.707 11.817 1.00 0.00 C ATOM 254 C GLU A 19 17.409 -6.958 10.348 1.00 0.00 C ATOM 255 O GLU A 19 18.271 -6.849 9.477 1.00 0.00 O ATOM 256 CB GLU A 19 18.282 -7.979 12.482 1.00 0.00 C ATOM 257 CG GLU A 19 17.172 -9.022 12.631 1.00 0.00 C ATOM 258 CD GLU A 19 17.679 -10.259 13.376 1.00 0.00 C ATOM 259 OE1 GLU A 19 17.586 -10.248 14.622 1.00 0.00 O ATOM 260 OE2 GLU A 19 18.146 -11.187 12.682 1.00 0.00 O ATOM 0 H GLU A 19 16.480 -6.551 13.474 1.00 0.00 H new ATOM 0 HA GLU A 19 18.543 -5.958 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.097 -8.392 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.693 -7.737 13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.330 -8.588 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.805 -9.311 11.646 1.00 0.00 H new ATOM 267 N ASP A 20 16.147 -7.290 10.117 1.00 0.00 N ATOM 268 CA ASP A 20 15.678 -7.558 8.768 1.00 0.00 C ATOM 269 C ASP A 20 14.575 -6.561 8.409 1.00 0.00 C ATOM 270 O ASP A 20 13.484 -6.957 8.000 1.00 0.00 O ATOM 271 CB ASP A 20 15.095 -8.968 8.658 1.00 0.00 C ATOM 272 CG ASP A 20 15.114 -9.567 7.250 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.387 -9.023 6.392 1.00 0.00 O ATOM 274 OD2 ASP A 20 15.856 -10.556 7.064 1.00 0.00 O ATOM 0 H ASP A 20 15.435 -7.379 10.842 1.00 0.00 H new ATOM 0 HA ASP A 20 16.527 -7.465 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.650 -9.628 9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.065 -8.948 9.014 1.00 0.00 H new ATOM 279 N GLY A 21 14.896 -5.286 8.575 1.00 0.00 N ATOM 280 CA GLY A 21 13.946 -4.229 8.274 1.00 0.00 C ATOM 281 C GLY A 21 12.647 -4.419 9.060 1.00 0.00 C ATOM 282 O GLY A 21 12.662 -4.945 10.172 1.00 0.00 O ATOM 0 H GLY A 21 15.801 -4.961 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.384 -3.261 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.731 -4.222 7.205 1.00 0.00 H new ATOM 286 N LEU A 22 11.555 -3.980 8.452 1.00 0.00 N ATOM 287 CA LEU A 22 10.251 -4.094 9.081 1.00 0.00 C ATOM 288 C LEU A 22 9.857 -5.571 9.164 1.00 0.00 C ATOM 289 O LEU A 22 9.581 -6.083 10.248 1.00 0.00 O ATOM 290 CB LEU A 22 9.225 -3.225 8.351 1.00 0.00 C ATOM 291 CG LEU A 22 9.679 -1.808 7.996 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.194 -1.410 6.600 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.235 -0.806 9.064 1.00 0.00 C ATOM 0 H LEU A 22 11.547 -3.544 7.530 1.00 0.00 H new ATOM 0 HA LEU A 22 10.287 -3.714 10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.936 -3.734 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.331 -3.154 8.971 1.00 0.00 H new ATOM 0 HG LEU A 22 10.769 -1.794 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.530 -0.398 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.601 -2.102 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.105 -1.446 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.571 0.193 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.148 -0.815 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.670 -1.082 10.025 1.00 0.00 H new ATOM 305 N GLY A 23 9.844 -6.213 8.005 1.00 0.00 N ATOM 306 CA GLY A 23 9.489 -7.620 7.934 1.00 0.00 C ATOM 307 C GLY A 23 8.074 -7.801 7.382 1.00 0.00 C ATOM 308 O GLY A 23 7.334 -8.672 7.835 1.00 0.00 O ATOM 0 H GLY A 23 10.073 -5.785 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.201 -8.147 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.556 -8.066 8.926 1.00 0.00 H new ATOM 312 N ILE A 24 7.740 -6.963 6.411 1.00 0.00 N ATOM 313 CA ILE A 24 6.427 -7.020 5.792 1.00 0.00 C ATOM 314 C ILE A 24 6.583 -6.990 4.270 1.00 0.00 C ATOM 315 O ILE A 24 7.591 -6.508 3.755 1.00 0.00 O ATOM 316 CB ILE A 24 5.528 -5.909 6.340 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.359 -4.712 6.807 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.614 -6.439 7.447 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.543 -3.419 6.742 1.00 0.00 C ATOM 0 H ILE A 24 8.356 -6.241 6.038 1.00 0.00 H new ATOM 0 HA ILE A 24 5.928 -7.956 6.043 1.00 0.00 H new ATOM 0 HB ILE A 24 4.885 -5.560 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.702 -4.879 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.248 -4.617 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.986 -5.630 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.983 -7.234 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.221 -6.832 8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.157 -2.584 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.222 -3.242 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.668 -3.509 7.385 1.00 0.00 H new ATOM 331 N SER A 25 5.570 -7.511 3.593 1.00 0.00 N ATOM 332 CA SER A 25 5.582 -7.551 2.141 1.00 0.00 C ATOM 333 C SER A 25 4.487 -6.639 1.584 1.00 0.00 C ATOM 334 O SER A 25 3.503 -6.356 2.265 1.00 0.00 O ATOM 335 CB SER A 25 5.395 -8.980 1.627 1.00 0.00 C ATOM 336 OG SER A 25 6.575 -9.763 1.785 1.00 0.00 O ATOM 0 H SER A 25 4.735 -7.909 4.024 1.00 0.00 H new ATOM 0 HA SER A 25 6.553 -7.195 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.572 -9.453 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.116 -8.953 0.574 1.00 0.00 H new ATOM 0 HG SER A 25 6.414 -10.669 1.447 1.00 0.00 H new ATOM 342 N ILE A 26 4.696 -6.204 0.350 1.00 0.00 N ATOM 343 CA ILE A 26 3.739 -5.329 -0.307 1.00 0.00 C ATOM 344 C ILE A 26 3.316 -5.952 -1.639 1.00 0.00 C ATOM 345 O ILE A 26 3.885 -6.955 -2.068 1.00 0.00 O ATOM 346 CB ILE A 26 4.309 -3.916 -0.443 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.586 -3.919 -1.286 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.530 -3.280 0.931 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.586 -2.760 -2.284 1.00 0.00 C ATOM 0 H ILE A 26 5.513 -6.441 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 26 2.838 -5.227 0.299 1.00 0.00 H new ATOM 0 HB ILE A 26 3.578 -3.301 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.456 -3.843 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.671 -4.865 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.936 -2.276 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.580 -3.224 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.232 -3.886 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.504 -2.785 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.728 -2.853 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.526 -1.815 -1.744 1.00 0.00 H new ATOM 361 N ILE A 27 2.320 -5.333 -2.256 1.00 0.00 N ATOM 362 CA ILE A 27 1.814 -5.814 -3.530 1.00 0.00 C ATOM 363 C ILE A 27 1.307 -4.628 -4.353 1.00 0.00 C ATOM 364 O ILE A 27 0.742 -3.683 -3.804 1.00 0.00 O ATOM 365 CB ILE A 27 0.765 -6.905 -3.312 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.232 -6.948 -4.473 1.00 0.00 C ATOM 367 CG2 ILE A 27 0.065 -6.732 -1.962 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.877 -8.330 -4.591 1.00 0.00 C ATOM 0 H ILE A 27 1.850 -4.502 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 27 2.613 -6.283 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 27 1.275 -7.868 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.004 -6.194 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.278 -6.700 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.676 -7.521 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.801 -6.791 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.429 -5.761 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.581 -8.333 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.104 -9.078 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.406 -8.565 -3.667 1.00 0.00 H new ATOM 380 N GLY A 28 1.526 -4.717 -5.657 1.00 0.00 N ATOM 381 CA GLY A 28 1.098 -3.663 -6.561 1.00 0.00 C ATOM 382 C GLY A 28 -0.298 -3.951 -7.117 1.00 0.00 C ATOM 383 O GLY A 28 -0.480 -4.893 -7.888 1.00 0.00 O ATOM 0 H GLY A 28 1.994 -5.503 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.094 -2.708 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.809 -3.572 -7.382 1.00 0.00 H new ATOM 387 N MET A 29 -1.247 -3.124 -6.705 1.00 0.00 N ATOM 388 CA MET A 29 -2.621 -3.279 -7.153 1.00 0.00 C ATOM 389 C MET A 29 -3.211 -1.935 -7.585 1.00 0.00 C ATOM 390 O MET A 29 -2.723 -0.880 -7.183 1.00 0.00 O ATOM 391 CB MET A 29 -3.464 -3.867 -6.021 1.00 0.00 C ATOM 392 CG MET A 29 -2.944 -5.246 -5.609 1.00 0.00 C ATOM 393 SD MET A 29 -3.914 -6.523 -6.390 1.00 0.00 S ATOM 394 CE MET A 29 -4.571 -7.341 -4.946 1.00 0.00 C ATOM 0 H MET A 29 -1.092 -2.344 -6.066 1.00 0.00 H new ATOM 0 HA MET A 29 -2.630 -3.951 -8.011 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.445 -3.196 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.503 -3.947 -6.340 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.897 -5.348 -5.893 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.992 -5.353 -4.525 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.205 -8.172 -5.255 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.750 -7.719 -4.337 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.159 -6.633 -4.363 1.00 0.00 H new ATOM 404 N GLY A 30 -4.255 -2.017 -8.398 1.00 0.00 N ATOM 405 CA GLY A 30 -4.917 -0.820 -8.888 1.00 0.00 C ATOM 406 C GLY A 30 -6.300 -0.659 -8.253 1.00 0.00 C ATOM 407 O GLY A 30 -7.203 -1.452 -8.516 1.00 0.00 O ATOM 0 H GLY A 30 -4.658 -2.893 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.306 0.055 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.015 -0.872 -9.972 1.00 0.00 H new ATOM 411 N VAL A 31 -6.421 0.371 -7.429 1.00 0.00 N ATOM 412 CA VAL A 31 -7.678 0.646 -6.754 1.00 0.00 C ATOM 413 C VAL A 31 -8.454 1.704 -7.541 1.00 0.00 C ATOM 414 O VAL A 31 -7.864 2.646 -8.070 1.00 0.00 O ATOM 415 CB VAL A 31 -7.415 1.052 -5.303 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.605 0.696 -4.410 1.00 0.00 C ATOM 417 CG2 VAL A 31 -6.127 0.415 -4.780 1.00 0.00 C ATOM 0 H VAL A 31 -5.669 1.026 -7.213 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.297 -0.251 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.288 2.134 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.392 0.995 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.494 1.218 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.778 -0.380 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.964 0.720 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.212 -0.671 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.286 0.741 -5.392 1.00 0.00 H new ATOM 492 N GLU A 38 -6.418 6.122 -12.146 1.00 0.00 N ATOM 493 CA GLU A 38 -6.307 5.009 -11.217 1.00 0.00 C ATOM 494 C GLU A 38 -5.320 5.349 -10.099 1.00 0.00 C ATOM 495 O GLU A 38 -4.437 6.186 -10.277 1.00 0.00 O ATOM 496 CB GLU A 38 -5.893 3.728 -11.944 1.00 0.00 C ATOM 497 CG GLU A 38 -4.479 3.852 -12.513 1.00 0.00 C ATOM 498 CD GLU A 38 -4.101 2.609 -13.320 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.648 1.634 -12.682 1.00 0.00 O ATOM 500 OE2 GLU A 38 -4.274 2.661 -14.557 1.00 0.00 O ATOM 0 HA GLU A 38 -7.286 4.834 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.939 2.884 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.596 3.520 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.415 4.735 -13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.767 3.992 -11.700 1.00 0.00 H new ATOM 507 N LYS A 39 -5.502 4.680 -8.969 1.00 0.00 N ATOM 508 CA LYS A 39 -4.639 4.900 -7.822 1.00 0.00 C ATOM 509 C LYS A 39 -4.084 3.558 -7.342 1.00 0.00 C ATOM 510 O LYS A 39 -4.759 2.825 -6.620 1.00 0.00 O ATOM 511 CB LYS A 39 -5.380 5.683 -6.736 1.00 0.00 C ATOM 512 CG LYS A 39 -5.304 7.188 -6.997 1.00 0.00 C ATOM 513 CD LYS A 39 -4.502 7.895 -5.902 1.00 0.00 C ATOM 514 CE LYS A 39 -5.191 9.190 -5.468 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.316 10.355 -5.728 1.00 0.00 N ATOM 0 H LYS A 39 -6.235 3.985 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.785 5.517 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.423 5.368 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.948 5.457 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.841 7.370 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.310 7.604 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.390 7.233 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.499 8.117 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.131 9.307 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.435 9.141 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.799 11.226 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.429 10.249 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.104 10.410 -6.745 1.00 0.00 H new ATOM 529 N LEU A 40 -2.859 3.275 -7.762 1.00 0.00 N ATOM 530 CA LEU A 40 -2.206 2.034 -7.384 1.00 0.00 C ATOM 531 C LEU A 40 -2.178 1.921 -5.858 1.00 0.00 C ATOM 532 O LEU A 40 -1.491 2.691 -5.188 1.00 0.00 O ATOM 533 CB LEU A 40 -0.824 1.937 -8.033 1.00 0.00 C ATOM 534 CG LEU A 40 -0.396 0.542 -8.495 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.244 0.072 -9.679 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.100 0.504 -8.810 1.00 0.00 C ATOM 0 H LEU A 40 -2.302 3.885 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.769 1.178 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.801 2.606 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.084 2.306 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.570 -0.157 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.919 -0.922 -9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.293 0.036 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.125 0.767 -10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.378 -0.498 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.323 1.218 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.667 0.765 -7.916 1.00 0.00 H new ATOM 548 N GLY A 41 -2.932 0.956 -5.354 1.00 0.00 N ATOM 549 CA GLY A 41 -3.003 0.733 -3.920 1.00 0.00 C ATOM 550 C GLY A 41 -1.962 -0.296 -3.474 1.00 0.00 C ATOM 551 O GLY A 41 -2.038 -1.465 -3.848 1.00 0.00 O ATOM 0 H GLY A 41 -3.500 0.319 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.839 1.673 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.001 0.387 -3.651 1.00 0.00 H new ATOM 555 N ILE A 42 -1.012 0.177 -2.679 1.00 0.00 N ATOM 556 CA ILE A 42 0.043 -0.688 -2.178 1.00 0.00 C ATOM 557 C ILE A 42 -0.461 -1.434 -0.941 1.00 0.00 C ATOM 558 O ILE A 42 -0.480 -0.881 0.158 1.00 0.00 O ATOM 559 CB ILE A 42 1.322 0.115 -1.933 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.702 0.932 -3.170 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.462 -0.796 -1.476 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.188 0.021 -4.300 1.00 0.00 C ATOM 0 H ILE A 42 -0.951 1.147 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 42 0.304 -1.441 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 42 1.132 0.822 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.841 1.509 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.484 1.647 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.359 -0.200 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.180 -1.295 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.661 -1.543 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.452 0.626 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.063 -0.537 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.395 -0.676 -4.572 1.00 0.00 H new ATOM 574 N PHE A 43 -0.856 -2.680 -1.161 1.00 0.00 N ATOM 575 CA PHE A 43 -1.357 -3.508 -0.078 1.00 0.00 C ATOM 576 C PHE A 43 -0.267 -4.444 0.447 1.00 0.00 C ATOM 577 O PHE A 43 0.748 -4.654 -0.216 1.00 0.00 O ATOM 578 CB PHE A 43 -2.502 -4.347 -0.650 1.00 0.00 C ATOM 579 CG PHE A 43 -3.654 -3.520 -1.223 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.639 -3.150 -2.532 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.692 -3.155 -0.425 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.708 -2.382 -3.065 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.762 -2.387 -0.958 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.747 -2.017 -2.266 1.00 0.00 C ATOM 0 H PHE A 43 -0.839 -3.136 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.687 -2.879 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.108 -4.994 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.890 -4.997 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.814 -3.440 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.703 -3.449 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.696 -2.088 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.587 -2.097 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.560 -1.433 -2.671 1.00 0.00 H new ATOM 594 N VAL A 44 -0.513 -4.982 1.633 1.00 0.00 N ATOM 595 CA VAL A 44 0.435 -5.891 2.254 1.00 0.00 C ATOM 596 C VAL A 44 0.151 -7.318 1.782 1.00 0.00 C ATOM 597 O VAL A 44 -0.867 -7.905 2.144 1.00 0.00 O ATOM 598 CB VAL A 44 0.381 -5.743 3.776 1.00 0.00 C ATOM 599 CG1 VAL A 44 1.148 -6.874 4.464 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.911 -4.376 4.213 1.00 0.00 C ATOM 0 H VAL A 44 -1.356 -4.805 2.180 1.00 0.00 H new ATOM 0 HA VAL A 44 1.453 -5.646 1.952 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.663 -5.811 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.094 -6.745 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.706 -7.832 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.191 -6.851 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.862 -4.297 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.946 -4.266 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.304 -3.590 3.764 1.00 0.00 H new ATOM 610 N LYS A 45 1.070 -7.835 0.980 1.00 0.00 N ATOM 611 CA LYS A 45 0.932 -9.183 0.455 1.00 0.00 C ATOM 612 C LYS A 45 0.918 -10.180 1.615 1.00 0.00 C ATOM 613 O LYS A 45 0.124 -11.119 1.623 1.00 0.00 O ATOM 614 CB LYS A 45 2.016 -9.466 -0.587 1.00 0.00 C ATOM 615 CG LYS A 45 2.026 -10.944 -0.981 1.00 0.00 C ATOM 616 CD LYS A 45 0.882 -11.262 -1.946 1.00 0.00 C ATOM 617 CE LYS A 45 1.169 -12.542 -2.734 1.00 0.00 C ATOM 618 NZ LYS A 45 -0.090 -13.133 -3.240 1.00 0.00 N ATOM 0 H LYS A 45 1.913 -7.345 0.681 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.017 -9.292 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.845 -8.852 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.991 -9.186 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.979 -11.193 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.936 -11.563 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.048 -11.375 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.741 -10.430 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.835 -12.321 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.684 -13.260 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.123 -14.001 -3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.712 -13.362 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.567 -12.452 -3.865 1.00 0.00 H new ATOM 632 N THR A 46 1.807 -9.941 2.568 1.00 0.00 N ATOM 633 CA THR A 46 1.908 -10.806 3.732 1.00 0.00 C ATOM 634 C THR A 46 2.832 -10.184 4.780 1.00 0.00 C ATOM 635 O THR A 46 3.474 -9.167 4.523 1.00 0.00 O ATOM 636 CB THR A 46 2.369 -12.185 3.257 1.00 0.00 C ATOM 637 OG1 THR A 46 2.570 -12.918 4.462 1.00 0.00 O ATOM 638 CG2 THR A 46 3.754 -12.148 2.608 1.00 0.00 C ATOM 0 H THR A 46 2.464 -9.161 2.558 1.00 0.00 H new ATOM 0 HA THR A 46 0.942 -10.922 4.224 1.00 0.00 H new ATOM 0 HB THR A 46 1.646 -12.584 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.869 -13.826 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.033 -13.152 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.733 -11.485 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.484 -11.780 3.329 1.00 0.00 H new ATOM 646 N VAL A 47 2.870 -10.822 5.941 1.00 0.00 N ATOM 647 CA VAL A 47 3.705 -10.344 7.030 1.00 0.00 C ATOM 648 C VAL A 47 4.594 -11.487 7.525 1.00 0.00 C ATOM 649 O VAL A 47 4.097 -12.556 7.878 1.00 0.00 O ATOM 650 CB VAL A 47 2.833 -9.744 8.134 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.680 -9.332 9.340 1.00 0.00 C ATOM 652 CG2 VAL A 47 2.018 -8.561 7.607 1.00 0.00 C ATOM 0 H VAL A 47 2.336 -11.665 6.151 1.00 0.00 H new ATOM 0 HA VAL A 47 4.363 -9.546 6.685 1.00 0.00 H new ATOM 0 HB VAL A 47 2.134 -10.513 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.035 -8.909 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.195 -10.206 9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.414 -8.587 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.407 -8.153 8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.694 -7.790 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.372 -8.897 6.796 1.00 0.00 H new ATOM 662 N THR A 48 5.892 -11.223 7.536 1.00 0.00 N ATOM 663 CA THR A 48 6.854 -12.216 7.982 1.00 0.00 C ATOM 664 C THR A 48 6.450 -12.775 9.348 1.00 0.00 C ATOM 665 O THR A 48 6.015 -12.028 10.224 1.00 0.00 O ATOM 666 CB THR A 48 8.240 -11.568 7.977 1.00 0.00 C ATOM 667 OG1 THR A 48 8.609 -11.548 6.601 1.00 0.00 O ATOM 668 CG2 THR A 48 9.302 -12.451 8.635 1.00 0.00 C ATOM 0 H THR A 48 6.300 -10.335 7.243 1.00 0.00 H new ATOM 0 HA THR A 48 6.877 -13.073 7.309 1.00 0.00 H new ATOM 0 HB THR A 48 8.194 -10.610 8.494 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.496 -11.142 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.266 -11.944 8.605 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.025 -12.642 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.372 -13.397 8.098 1.00 0.00 H new ATOM 676 N GLU A 49 6.607 -14.083 9.486 1.00 0.00 N ATOM 677 CA GLU A 49 6.263 -14.750 10.730 1.00 0.00 C ATOM 678 C GLU A 49 7.274 -14.392 11.822 1.00 0.00 C ATOM 679 O GLU A 49 8.365 -14.959 11.873 1.00 0.00 O ATOM 680 CB GLU A 49 6.181 -16.266 10.536 1.00 0.00 C ATOM 681 CG GLU A 49 5.172 -16.889 11.502 1.00 0.00 C ATOM 682 CD GLU A 49 5.104 -18.407 11.320 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.104 -19.066 11.679 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.055 -18.873 10.827 1.00 0.00 O ATOM 0 H GLU A 49 6.968 -14.699 8.757 1.00 0.00 H new ATOM 0 HA GLU A 49 5.279 -14.403 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.892 -16.490 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.164 -16.710 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.453 -16.654 12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.187 -16.454 11.334 1.00 0.00 H new ATOM 691 N GLY A 50 6.876 -13.452 12.667 1.00 0.00 N ATOM 692 CA GLY A 50 7.734 -13.011 13.754 1.00 0.00 C ATOM 693 C GLY A 50 8.511 -11.752 13.363 1.00 0.00 C ATOM 694 O GLY A 50 9.607 -11.514 13.867 1.00 0.00 O ATOM 0 H GLY A 50 5.971 -12.984 12.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.131 -12.810 14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.432 -13.806 14.017 1.00 0.00 H new ATOM 698 N GLY A 51 7.911 -10.979 12.469 1.00 0.00 N ATOM 699 CA GLY A 51 8.533 -9.751 12.005 1.00 0.00 C ATOM 700 C GLY A 51 8.127 -8.565 12.883 1.00 0.00 C ATOM 701 O GLY A 51 7.545 -8.750 13.951 1.00 0.00 O ATOM 0 H GLY A 51 7.001 -11.180 12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.617 -9.862 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.242 -9.560 10.972 1.00 0.00 H new ATOM 705 N ALA A 52 8.449 -7.375 12.400 1.00 0.00 N ATOM 706 CA ALA A 52 8.124 -6.159 13.127 1.00 0.00 C ATOM 707 C ALA A 52 6.617 -5.910 13.049 1.00 0.00 C ATOM 708 O ALA A 52 5.941 -5.847 14.075 1.00 0.00 O ATOM 709 CB ALA A 52 8.937 -4.993 12.561 1.00 0.00 C ATOM 0 H ALA A 52 8.932 -7.226 11.514 1.00 0.00 H new ATOM 0 HA ALA A 52 8.387 -6.260 14.180 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.693 -4.081 13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.001 -5.206 12.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.697 -4.860 11.506 1.00 0.00 H new ATOM 715 N ALA A 53 6.134 -5.776 11.822 1.00 0.00 N ATOM 716 CA ALA A 53 4.719 -5.536 11.598 1.00 0.00 C ATOM 717 C ALA A 53 3.912 -6.714 12.148 1.00 0.00 C ATOM 718 O ALA A 53 2.740 -6.563 12.489 1.00 0.00 O ATOM 719 CB ALA A 53 4.471 -5.306 10.105 1.00 0.00 C ATOM 0 H ALA A 53 6.697 -5.829 10.973 1.00 0.00 H new ATOM 0 HA ALA A 53 4.394 -4.639 12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.409 -5.126 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.044 -4.441 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.783 -6.187 9.544 1.00 0.00 H new ATOM 725 N GLN A 54 4.572 -7.861 12.217 1.00 0.00 N ATOM 726 CA GLN A 54 3.931 -9.064 12.720 1.00 0.00 C ATOM 727 C GLN A 54 3.737 -8.968 14.235 1.00 0.00 C ATOM 728 O GLN A 54 2.607 -8.923 14.718 1.00 0.00 O ATOM 729 CB GLN A 54 4.736 -10.311 12.348 1.00 0.00 C ATOM 730 CG GLN A 54 3.827 -11.535 12.230 1.00 0.00 C ATOM 731 CD GLN A 54 3.646 -12.218 13.588 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.708 -11.597 14.637 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.421 -13.526 13.511 1.00 0.00 N ATOM 0 H GLN A 54 5.544 -7.983 11.933 1.00 0.00 H new ATOM 0 HA GLN A 54 2.950 -9.152 12.253 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.254 -10.146 11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.501 -10.493 13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.855 -11.234 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.253 -12.241 11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.381 -13.984 12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.288 -14.072 14.362 1.00 0.00 H new ATOM 742 N ARG A 55 4.857 -8.940 14.942 1.00 0.00 N ATOM 743 CA ARG A 55 4.825 -8.851 16.392 1.00 0.00 C ATOM 744 C ARG A 55 3.859 -7.749 16.835 1.00 0.00 C ATOM 745 O ARG A 55 3.033 -7.962 17.721 1.00 0.00 O ATOM 746 CB ARG A 55 6.216 -8.557 16.957 1.00 0.00 C ATOM 747 CG ARG A 55 7.094 -9.809 16.931 1.00 0.00 C ATOM 748 CD ARG A 55 8.260 -9.682 17.913 1.00 0.00 C ATOM 749 NE ARG A 55 9.254 -8.715 17.397 1.00 0.00 N ATOM 750 CZ ARG A 55 10.189 -9.013 16.484 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.262 -10.253 15.981 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.049 -8.072 16.073 1.00 0.00 N ATOM 0 H ARG A 55 5.793 -8.977 14.538 1.00 0.00 H new ATOM 0 HA ARG A 55 4.485 -9.813 16.776 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.688 -7.765 16.376 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.127 -8.192 17.980 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.494 -10.683 17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.478 -9.967 15.923 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.893 -9.354 18.886 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.729 -10.655 18.061 1.00 0.00 H new ATOM 0 HE ARG A 55 9.226 -7.762 17.759 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.606 -10.969 16.293 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.973 -10.480 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.993 -7.128 16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.760 -8.300 15.378 1.00 0.00 H new ATOM 766 N ASP A 56 3.994 -6.596 16.196 1.00 0.00 N ATOM 767 CA ASP A 56 3.144 -5.461 16.513 1.00 0.00 C ATOM 768 C ASP A 56 1.683 -5.914 16.532 1.00 0.00 C ATOM 769 O ASP A 56 0.985 -5.729 17.528 1.00 0.00 O ATOM 770 CB ASP A 56 3.284 -4.358 15.462 1.00 0.00 C ATOM 771 CG ASP A 56 3.093 -2.935 15.989 1.00 0.00 C ATOM 772 OD1 ASP A 56 3.371 -2.733 17.191 1.00 0.00 O ATOM 773 OD2 ASP A 56 2.674 -2.081 15.179 1.00 0.00 O ATOM 0 H ASP A 56 4.679 -6.424 15.460 1.00 0.00 H new ATOM 0 HA ASP A 56 3.447 -5.073 17.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.273 -4.432 15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.556 -4.537 14.670 1.00 0.00 H new ATOM 778 N GLY A 57 1.263 -6.498 15.419 1.00 0.00 N ATOM 779 CA GLY A 57 -0.103 -6.979 15.295 1.00 0.00 C ATOM 780 C GLY A 57 -0.982 -5.953 14.577 1.00 0.00 C ATOM 781 O GLY A 57 -1.915 -6.321 13.864 1.00 0.00 O ATOM 0 H GLY A 57 1.845 -6.649 14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.113 -7.920 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.511 -7.184 16.285 1.00 0.00 H new ATOM 785 N ARG A 58 -0.653 -4.687 14.789 1.00 0.00 N ATOM 786 CA ARG A 58 -1.401 -3.606 14.171 1.00 0.00 C ATOM 787 C ARG A 58 -1.561 -3.862 12.671 1.00 0.00 C ATOM 788 O ARG A 58 -2.659 -4.156 12.201 1.00 0.00 O ATOM 789 CB ARG A 58 -0.701 -2.262 14.380 1.00 0.00 C ATOM 790 CG ARG A 58 -1.627 -1.265 15.080 1.00 0.00 C ATOM 791 CD ARG A 58 -3.043 -1.335 14.505 1.00 0.00 C ATOM 792 NE ARG A 58 -2.986 -1.621 13.054 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.047 -1.976 12.316 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.253 -2.090 12.888 1.00 0.00 N ATOM 795 NH2 ARG A 58 -3.902 -2.217 11.006 1.00 0.00 N ATOM 0 H ARG A 58 0.122 -4.386 15.380 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.382 -3.569 14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.201 -2.406 14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.387 -1.858 13.418 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.654 -1.477 16.149 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.233 -0.255 14.965 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.614 -2.111 15.015 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.562 -0.392 14.678 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.083 -1.543 12.586 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.364 -1.907 13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.060 -2.360 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.984 -2.130 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.710 -2.487 10.445 1.00 0.00 H new ATOM 809 N ILE A 59 -0.450 -3.740 11.960 1.00 0.00 N ATOM 810 CA ILE A 59 -0.453 -3.954 10.523 1.00 0.00 C ATOM 811 C ILE A 59 -0.756 -5.425 10.232 1.00 0.00 C ATOM 812 O ILE A 59 -0.126 -6.317 10.799 1.00 0.00 O ATOM 813 CB ILE A 59 0.858 -3.462 9.905 1.00 0.00 C ATOM 814 CG1 ILE A 59 0.977 -1.941 10.013 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.999 -3.947 8.461 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.413 -1.525 10.338 1.00 0.00 C ATOM 0 H ILE A 59 0.459 -3.495 12.353 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.241 -3.366 10.052 1.00 0.00 H new ATOM 0 HB ILE A 59 1.685 -3.891 10.471 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.665 -1.481 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.304 -1.574 10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.939 -3.584 8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.991 -5.037 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.168 -3.567 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.470 -0.439 10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.714 -1.967 11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.080 -1.872 9.549 1.00 0.00 H new ATOM 828 N GLN A 60 -1.720 -5.634 9.347 1.00 0.00 N ATOM 829 CA GLN A 60 -2.115 -6.981 8.974 1.00 0.00 C ATOM 830 C GLN A 60 -2.042 -7.154 7.455 1.00 0.00 C ATOM 831 O GLN A 60 -1.906 -6.176 6.722 1.00 0.00 O ATOM 832 CB GLN A 60 -3.515 -7.308 9.496 1.00 0.00 C ATOM 833 CG GLN A 60 -3.832 -6.501 10.757 1.00 0.00 C ATOM 834 CD GLN A 60 -5.210 -6.867 11.311 1.00 0.00 C ATOM 835 OE1 GLN A 60 -5.879 -7.770 10.835 1.00 0.00 O ATOM 836 NE2 GLN A 60 -5.596 -6.118 12.340 1.00 0.00 N ATOM 0 H GLN A 60 -2.239 -4.892 8.877 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.419 -7.682 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.254 -7.091 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.586 -8.374 9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.070 -6.689 11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.799 -5.436 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.987 -5.378 12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.501 -6.284 12.780 1.00 0.00 H new ATOM 845 N VAL A 61 -2.137 -8.405 7.029 1.00 0.00 N ATOM 846 CA VAL A 61 -2.084 -8.718 5.611 1.00 0.00 C ATOM 847 C VAL A 61 -3.341 -8.178 4.926 1.00 0.00 C ATOM 848 O VAL A 61 -4.396 -8.076 5.550 1.00 0.00 O ATOM 849 CB VAL A 61 -1.895 -10.224 5.414 1.00 0.00 C ATOM 850 CG1 VAL A 61 -1.984 -10.598 3.933 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.571 -10.694 6.020 1.00 0.00 C ATOM 0 H VAL A 61 -2.250 -9.213 7.641 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.227 -8.233 5.145 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.703 -10.735 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.846 -11.673 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.962 -10.315 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.207 -10.073 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.461 -11.768 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.255 -10.172 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.563 -10.478 7.088 1.00 0.00 H new ATOM 861 N ASN A 62 -3.187 -7.847 3.653 1.00 0.00 N ATOM 862 CA ASN A 62 -4.297 -7.321 2.877 1.00 0.00 C ATOM 863 C ASN A 62 -4.491 -5.841 3.212 1.00 0.00 C ATOM 864 O ASN A 62 -5.368 -5.184 2.652 1.00 0.00 O ATOM 865 CB ASN A 62 -5.598 -8.055 3.208 1.00 0.00 C ATOM 866 CG ASN A 62 -5.376 -9.568 3.258 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.216 -10.232 2.247 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.376 -10.074 4.488 1.00 0.00 N ATOM 0 H ASN A 62 -2.310 -7.933 3.139 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.065 -7.458 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.981 -7.708 4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.354 -7.819 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.236 -11.075 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.516 -9.461 5.291 1.00 0.00 H new ATOM 875 N ASP A 63 -3.658 -5.359 4.122 1.00 0.00 N ATOM 876 CA ASP A 63 -3.727 -3.968 4.538 1.00 0.00 C ATOM 877 C ASP A 63 -3.338 -3.069 3.363 1.00 0.00 C ATOM 878 O ASP A 63 -2.867 -3.554 2.335 1.00 0.00 O ATOM 879 CB ASP A 63 -2.758 -3.689 5.689 1.00 0.00 C ATOM 880 CG ASP A 63 -3.339 -3.898 7.089 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.517 -4.311 7.159 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.592 -3.640 8.057 1.00 0.00 O ATOM 0 H ASP A 63 -2.932 -5.907 4.583 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.746 -3.764 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.886 -4.333 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.407 -2.660 5.607 1.00 0.00 H new ATOM 887 N GLN A 64 -3.549 -1.775 3.554 1.00 0.00 N ATOM 888 CA GLN A 64 -3.226 -0.804 2.523 1.00 0.00 C ATOM 889 C GLN A 64 -2.375 0.326 3.106 1.00 0.00 C ATOM 890 O GLN A 64 -2.778 0.980 4.067 1.00 0.00 O ATOM 891 CB GLN A 64 -4.496 -0.253 1.871 1.00 0.00 C ATOM 892 CG GLN A 64 -4.154 0.695 0.720 1.00 0.00 C ATOM 893 CD GLN A 64 -5.245 1.752 0.538 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.362 1.615 1.009 1.00 0.00 O ATOM 895 NE2 GLN A 64 -4.861 2.810 -0.170 1.00 0.00 N ATOM 0 H GLN A 64 -3.940 -1.377 4.408 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.647 -1.306 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.105 -1.077 1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.092 0.274 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.199 1.183 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.037 0.126 -0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.910 2.861 -0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.517 3.570 -0.347 1.00 0.00 H new ATOM 904 N ILE A 65 -1.212 0.521 2.501 1.00 0.00 N ATOM 905 CA ILE A 65 -0.301 1.561 2.948 1.00 0.00 C ATOM 906 C ILE A 65 -0.582 2.848 2.171 1.00 0.00 C ATOM 907 O ILE A 65 -0.062 3.041 1.072 1.00 0.00 O ATOM 908 CB ILE A 65 1.149 1.084 2.844 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.315 -0.305 3.465 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.108 2.105 3.459 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.672 -0.910 3.100 1.00 0.00 C ATOM 0 H ILE A 65 -0.880 -0.024 1.705 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.465 1.783 4.003 1.00 0.00 H new ATOM 0 HB ILE A 65 1.405 0.998 1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.223 -0.236 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.516 -0.960 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.132 1.741 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.014 3.055 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.862 2.247 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.764 -1.897 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.751 -1.000 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.469 -0.265 3.469 1.00 0.00 H new ATOM 923 N VAL A 66 -1.403 3.697 2.771 1.00 0.00 N ATOM 924 CA VAL A 66 -1.759 4.961 2.149 1.00 0.00 C ATOM 925 C VAL A 66 -0.580 5.929 2.259 1.00 0.00 C ATOM 926 O VAL A 66 -0.288 6.666 1.319 1.00 0.00 O ATOM 927 CB VAL A 66 -3.043 5.509 2.775 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.480 6.804 2.086 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.161 4.464 2.738 1.00 0.00 C ATOM 0 H VAL A 66 -1.832 3.534 3.682 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.965 4.820 1.088 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.834 5.739 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.395 7.172 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.695 7.553 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.662 6.610 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.062 4.879 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.367 4.188 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.851 3.580 3.295 1.00 0.00 H new ATOM 939 N GLU A 67 0.066 5.896 3.415 1.00 0.00 N ATOM 940 CA GLU A 67 1.207 6.761 3.661 1.00 0.00 C ATOM 941 C GLU A 67 2.227 6.053 4.554 1.00 0.00 C ATOM 942 O GLU A 67 1.858 5.243 5.403 1.00 0.00 O ATOM 943 CB GLU A 67 0.765 8.089 4.278 1.00 0.00 C ATOM 944 CG GLU A 67 1.957 9.029 4.468 1.00 0.00 C ATOM 945 CD GLU A 67 1.586 10.467 4.098 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.595 10.761 2.883 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.301 11.239 5.039 1.00 0.00 O ATOM 0 H GLU A 67 -0.179 5.283 4.192 1.00 0.00 H new ATOM 0 HA GLU A 67 1.683 6.983 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.022 8.563 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.285 7.906 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.293 8.991 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.791 8.694 3.851 1.00 0.00 H new ATOM 954 N VAL A 68 3.491 6.385 4.333 1.00 0.00 N ATOM 955 CA VAL A 68 4.567 5.792 5.108 1.00 0.00 C ATOM 956 C VAL A 68 5.517 6.894 5.581 1.00 0.00 C ATOM 957 O VAL A 68 6.256 7.467 4.782 1.00 0.00 O ATOM 958 CB VAL A 68 5.270 4.710 4.285 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.778 4.959 4.225 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.966 3.316 4.838 1.00 0.00 C ATOM 0 H VAL A 68 3.794 7.057 3.628 1.00 0.00 H new ATOM 0 HA VAL A 68 4.171 5.300 5.997 1.00 0.00 H new ATOM 0 HB VAL A 68 4.882 4.759 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.253 4.176 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.969 5.928 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.189 4.951 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.478 2.566 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.312 3.250 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.891 3.137 4.804 1.00 0.00 H new ATOM 970 N ASP A 69 5.467 7.158 6.879 1.00 0.00 N ATOM 971 CA ASP A 69 6.313 8.181 7.468 1.00 0.00 C ATOM 972 C ASP A 69 5.942 9.544 6.881 1.00 0.00 C ATOM 973 O ASP A 69 6.664 10.522 7.069 1.00 0.00 O ATOM 974 CB ASP A 69 7.789 7.919 7.160 1.00 0.00 C ATOM 975 CG ASP A 69 8.592 7.313 8.312 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.003 7.180 9.406 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.778 6.996 8.072 1.00 0.00 O ATOM 0 H ASP A 69 4.853 6.680 7.539 1.00 0.00 H new ATOM 0 HA ASP A 69 6.161 8.164 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.852 7.250 6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.256 8.859 6.867 1.00 0.00 H new ATOM 982 N GLY A 70 4.817 9.565 6.181 1.00 0.00 N ATOM 983 CA GLY A 70 4.342 10.792 5.565 1.00 0.00 C ATOM 984 C GLY A 70 4.390 10.694 4.039 1.00 0.00 C ATOM 985 O GLY A 70 3.820 11.531 3.341 1.00 0.00 O ATOM 0 H GLY A 70 4.221 8.752 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.321 10.993 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.953 11.631 5.898 1.00 0.00 H new ATOM 989 N ILE A 71 5.076 9.664 3.565 1.00 0.00 N ATOM 990 CA ILE A 71 5.206 9.446 2.135 1.00 0.00 C ATOM 991 C ILE A 71 4.000 8.651 1.633 1.00 0.00 C ATOM 992 O ILE A 71 3.654 7.615 2.200 1.00 0.00 O ATOM 993 CB ILE A 71 6.551 8.791 1.813 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.712 9.735 2.136 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.592 8.307 0.362 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.055 9.089 1.792 1.00 0.00 C ATOM 0 H ILE A 71 5.548 8.971 4.147 1.00 0.00 H new ATOM 0 HA ILE A 71 5.205 10.397 1.603 1.00 0.00 H new ATOM 0 HB ILE A 71 6.664 7.913 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.597 10.663 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.690 9.996 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.559 7.846 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.800 7.576 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.447 9.154 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.863 9.780 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.177 8.174 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.083 8.852 0.728 1.00 0.00 H new ATOM 1008 N SER A 72 3.391 9.165 0.574 1.00 0.00 N ATOM 1009 CA SER A 72 2.230 8.516 -0.011 1.00 0.00 C ATOM 1010 C SER A 72 2.664 7.274 -0.793 1.00 0.00 C ATOM 1011 O SER A 72 3.480 7.367 -1.709 1.00 0.00 O ATOM 1012 CB SER A 72 1.463 9.476 -0.921 1.00 0.00 C ATOM 1013 OG SER A 72 2.117 10.736 -1.041 1.00 0.00 O ATOM 0 H SER A 72 3.680 10.024 0.106 1.00 0.00 H new ATOM 0 HA SER A 72 1.563 8.214 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.353 9.029 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.458 9.625 -0.526 1.00 0.00 H new ATOM 0 HG SER A 72 1.597 11.320 -1.632 1.00 0.00 H new ATOM 1019 N LEU A 73 2.098 6.141 -0.404 1.00 0.00 N ATOM 1020 CA LEU A 73 2.416 4.883 -1.058 1.00 0.00 C ATOM 1021 C LEU A 73 1.256 4.481 -1.971 1.00 0.00 C ATOM 1022 O LEU A 73 1.358 3.509 -2.718 1.00 0.00 O ATOM 1023 CB LEU A 73 2.781 3.818 -0.022 1.00 0.00 C ATOM 1024 CG LEU A 73 4.044 4.086 0.799 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.548 2.804 1.463 1.00 0.00 C ATOM 1026 CD2 LEU A 73 5.123 4.752 -0.057 1.00 0.00 C ATOM 0 H LEU A 73 1.421 6.068 0.356 1.00 0.00 H new ATOM 0 HA LEU A 73 3.297 4.994 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.942 3.705 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.902 2.865 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 73 3.791 4.784 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.446 3.022 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.777 2.410 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.780 2.064 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.010 4.932 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.380 4.099 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.748 5.701 -0.441 1.00 0.00 H new ATOM 1038 N VAL A 74 0.180 5.248 -1.881 1.00 0.00 N ATOM 1039 CA VAL A 74 -0.998 4.984 -2.689 1.00 0.00 C ATOM 1040 C VAL A 74 -0.920 5.803 -3.979 1.00 0.00 C ATOM 1041 O VAL A 74 -0.432 6.932 -3.973 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.264 5.266 -1.878 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -2.484 6.771 -1.710 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -3.485 4.601 -2.517 1.00 0.00 C ATOM 0 H VAL A 74 0.099 6.053 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.038 3.932 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.129 4.835 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.390 6.944 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.631 7.207 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.587 7.235 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.371 4.817 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.624 4.988 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.331 3.523 -2.560 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.409 5.202 -5.054 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.400 5.862 -6.349 1.00 0.00 C ATOM 1056 C GLY A 75 0.026 5.999 -6.885 1.00 0.00 C ATOM 1057 O GLY A 75 0.336 6.953 -7.597 1.00 0.00 O ATOM 0 H GLY A 75 -1.814 4.266 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.005 5.293 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.856 6.848 -6.262 1.00 0.00 H new ATOM 1061 N VAL A 76 0.856 5.033 -6.523 1.00 0.00 N ATOM 1062 CA VAL A 76 2.242 5.034 -6.958 1.00 0.00 C ATOM 1063 C VAL A 76 2.628 3.628 -7.422 1.00 0.00 C ATOM 1064 O VAL A 76 2.015 2.644 -7.009 1.00 0.00 O ATOM 1065 CB VAL A 76 3.142 5.562 -5.839 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.575 6.852 -5.242 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.350 4.502 -4.756 1.00 0.00 C ATOM 0 H VAL A 76 0.595 4.243 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 76 2.375 5.704 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 76 4.115 5.793 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.234 7.206 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.503 7.612 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.584 6.658 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.993 4.903 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.387 4.225 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.819 3.621 -5.194 1.00 0.00 H new ATOM 1077 N THR A 77 3.642 3.577 -8.273 1.00 0.00 N ATOM 1078 CA THR A 77 4.117 2.308 -8.798 1.00 0.00 C ATOM 1079 C THR A 77 4.774 1.485 -7.688 1.00 0.00 C ATOM 1080 O THR A 77 5.508 2.025 -6.862 1.00 0.00 O ATOM 1081 CB THR A 77 5.052 2.602 -9.972 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.451 1.312 -10.429 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.360 3.261 -9.528 1.00 0.00 C ATOM 0 H THR A 77 4.148 4.395 -8.612 1.00 0.00 H new ATOM 0 HA THR A 77 3.292 1.698 -9.167 1.00 0.00 H new ATOM 0 HB THR A 77 4.544 3.249 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.059 1.409 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.987 3.448 -10.400 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.141 4.205 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.885 2.600 -8.839 1.00 0.00 H new ATOM 1091 N GLN A 78 4.486 0.192 -7.705 1.00 0.00 N ATOM 1092 CA GLN A 78 5.039 -0.711 -6.710 1.00 0.00 C ATOM 1093 C GLN A 78 6.508 -0.373 -6.445 1.00 0.00 C ATOM 1094 O GLN A 78 6.991 -0.526 -5.324 1.00 0.00 O ATOM 1095 CB GLN A 78 4.883 -2.169 -7.145 1.00 0.00 C ATOM 1096 CG GLN A 78 4.998 -3.115 -5.948 1.00 0.00 C ATOM 1097 CD GLN A 78 5.336 -4.536 -6.402 1.00 0.00 C ATOM 1098 OE1 GLN A 78 4.801 -5.049 -7.371 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.251 -5.141 -5.650 1.00 0.00 N ATOM 0 H GLN A 78 3.877 -0.252 -8.392 1.00 0.00 H new ATOM 0 HA GLN A 78 4.483 -0.582 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.916 -2.306 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.647 -2.416 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.769 -2.754 -5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.060 -3.120 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.659 -4.654 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.545 -6.092 -5.871 1.00 0.00 H new ATOM 1108 N ASN A 79 7.176 0.081 -7.495 1.00 0.00 N ATOM 1109 CA ASN A 79 8.580 0.442 -7.390 1.00 0.00 C ATOM 1110 C ASN A 79 8.736 1.571 -6.369 1.00 0.00 C ATOM 1111 O ASN A 79 9.541 1.469 -5.445 1.00 0.00 O ATOM 1112 CB ASN A 79 9.123 0.939 -8.731 1.00 0.00 C ATOM 1113 CG ASN A 79 10.379 0.164 -9.135 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.880 -0.679 -8.409 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.859 0.497 -10.330 1.00 0.00 N ATOM 0 H ASN A 79 6.771 0.207 -8.423 1.00 0.00 H new ATOM 0 HA ASN A 79 9.134 -0.445 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.359 0.827 -9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.354 2.002 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.696 0.038 -10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.390 1.212 -10.887 1.00 0.00 H new ATOM 1122 N PHE A 80 7.954 2.621 -6.571 1.00 0.00 N ATOM 1123 CA PHE A 80 7.995 3.768 -5.680 1.00 0.00 C ATOM 1124 C PHE A 80 7.835 3.334 -4.221 1.00 0.00 C ATOM 1125 O PHE A 80 8.670 3.658 -3.378 1.00 0.00 O ATOM 1126 CB PHE A 80 6.824 4.674 -6.062 1.00 0.00 C ATOM 1127 CG PHE A 80 6.632 5.871 -5.128 1.00 0.00 C ATOM 1128 CD1 PHE A 80 6.112 5.686 -3.885 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.981 7.118 -5.541 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.934 6.797 -3.018 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.803 8.229 -4.674 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.283 8.045 -3.431 1.00 0.00 C ATOM 0 H PHE A 80 7.288 2.702 -7.339 1.00 0.00 H new ATOM 0 HA PHE A 80 8.952 4.280 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.977 5.040 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.908 4.083 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.835 4.695 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.394 7.264 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.521 6.651 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.081 9.220 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.147 8.890 -2.772 1.00 0.00 H new ATOM 1142 N ALA A 81 6.755 2.610 -3.968 1.00 0.00 N ATOM 1143 CA ALA A 81 6.474 2.129 -2.626 1.00 0.00 C ATOM 1144 C ALA A 81 7.669 1.320 -2.118 1.00 0.00 C ATOM 1145 O ALA A 81 8.051 1.435 -0.954 1.00 0.00 O ATOM 1146 CB ALA A 81 5.180 1.313 -2.637 1.00 0.00 C ATOM 0 H ALA A 81 6.064 2.345 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 81 6.327 2.965 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.969 0.952 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.357 1.941 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.291 0.464 -3.311 1.00 0.00 H new ATOM 1152 N ALA A 82 8.226 0.520 -3.015 1.00 0.00 N ATOM 1153 CA ALA A 82 9.370 -0.307 -2.672 1.00 0.00 C ATOM 1154 C ALA A 82 10.549 0.591 -2.293 1.00 0.00 C ATOM 1155 O ALA A 82 11.309 0.272 -1.380 1.00 0.00 O ATOM 1156 CB ALA A 82 9.698 -1.236 -3.843 1.00 0.00 C ATOM 0 H ALA A 82 7.906 0.427 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 82 9.144 -0.935 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.556 -1.857 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.839 -1.874 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.932 -0.640 -4.725 1.00 0.00 H new ATOM 1162 N THR A 83 10.664 1.697 -3.014 1.00 0.00 N ATOM 1163 CA THR A 83 11.737 2.645 -2.764 1.00 0.00 C ATOM 1164 C THR A 83 11.541 3.328 -1.410 1.00 0.00 C ATOM 1165 O THR A 83 12.486 3.460 -0.634 1.00 0.00 O ATOM 1166 CB THR A 83 11.785 3.624 -3.938 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.358 2.866 -5.000 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.784 4.761 -3.711 1.00 0.00 C ATOM 0 H THR A 83 10.032 1.958 -3.771 1.00 0.00 H new ATOM 0 HA THR A 83 12.702 2.143 -2.701 1.00 0.00 H new ATOM 0 HB THR A 83 10.791 4.041 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.673 2.287 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.779 5.427 -4.574 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.502 5.320 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.783 4.346 -3.579 1.00 0.00 H new ATOM 1176 N VAL A 84 10.307 3.745 -1.166 1.00 0.00 N ATOM 1177 CA VAL A 84 9.975 4.412 0.081 1.00 0.00 C ATOM 1178 C VAL A 84 10.288 3.479 1.252 1.00 0.00 C ATOM 1179 O VAL A 84 11.045 3.840 2.152 1.00 0.00 O ATOM 1180 CB VAL A 84 8.515 4.871 0.056 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.095 5.436 1.415 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.281 5.893 -1.058 1.00 0.00 C ATOM 0 H VAL A 84 9.525 3.634 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 84 10.582 5.309 0.208 1.00 0.00 H new ATOM 0 HB VAL A 84 7.893 4.000 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.054 5.755 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.206 4.667 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.725 6.289 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.236 6.203 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.918 6.762 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.522 5.443 -2.021 1.00 0.00 H new ATOM 1192 N LEU A 85 9.690 2.298 1.203 1.00 0.00 N ATOM 1193 CA LEU A 85 9.896 1.311 2.249 1.00 0.00 C ATOM 1194 C LEU A 85 11.396 1.066 2.425 1.00 0.00 C ATOM 1195 O LEU A 85 11.835 0.613 3.481 1.00 0.00 O ATOM 1196 CB LEU A 85 9.096 0.041 1.952 1.00 0.00 C ATOM 1197 CG LEU A 85 7.575 0.164 2.068 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.874 -0.913 1.237 1.00 0.00 C ATOM 1199 CD2 LEU A 85 7.133 0.137 3.532 1.00 0.00 C ATOM 0 H LEU A 85 9.063 2.002 0.455 1.00 0.00 H new ATOM 0 HA LEU A 85 9.519 1.682 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.338 -0.289 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.430 -0.743 2.632 1.00 0.00 H new ATOM 0 HG LEU A 85 7.278 1.130 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.794 -0.804 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.155 -0.804 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.173 -1.899 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.048 0.226 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.443 -0.803 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.592 0.969 4.066 1.00 0.00 H new ATOM 1211 N ARG A 86 12.141 1.377 1.374 1.00 0.00 N ATOM 1212 CA ARG A 86 13.582 1.196 1.399 1.00 0.00 C ATOM 1213 C ARG A 86 14.263 2.435 1.984 1.00 0.00 C ATOM 1214 O ARG A 86 15.433 2.386 2.359 1.00 0.00 O ATOM 1215 CB ARG A 86 14.130 0.937 -0.006 1.00 0.00 C ATOM 1216 CG ARG A 86 13.890 -0.513 -0.429 1.00 0.00 C ATOM 1217 CD ARG A 86 14.148 -0.697 -1.926 1.00 0.00 C ATOM 1218 NE ARG A 86 13.965 -2.117 -2.300 1.00 0.00 N ATOM 1219 CZ ARG A 86 14.139 -2.596 -3.540 1.00 0.00 C ATOM 1220 NH1 ARG A 86 14.503 -1.772 -4.531 1.00 0.00 N ATOM 1221 NH2 ARG A 86 13.951 -3.900 -3.787 1.00 0.00 N ATOM 0 H ARG A 86 11.773 1.753 0.500 1.00 0.00 H new ATOM 0 HA ARG A 86 13.796 0.330 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.652 1.611 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.198 1.155 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.543 -1.175 0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.864 -0.799 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.466 -0.070 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.160 -0.375 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 86 13.689 -2.772 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.648 -0.780 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.635 -2.136 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.676 -4.528 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.083 -4.265 -4.730 1.00 0.00 H new ATOM 1235 N ASN A 87 13.500 3.517 2.043 1.00 0.00 N ATOM 1236 CA ASN A 87 14.015 4.767 2.576 1.00 0.00 C ATOM 1237 C ASN A 87 13.729 4.833 4.078 1.00 0.00 C ATOM 1238 O ASN A 87 14.558 5.311 4.851 1.00 0.00 O ATOM 1239 CB ASN A 87 13.338 5.968 1.913 1.00 0.00 C ATOM 1240 CG ASN A 87 14.177 6.498 0.749 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.961 7.423 0.885 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.971 5.861 -0.400 1.00 0.00 N ATOM 0 H ASN A 87 12.530 3.554 1.731 1.00 0.00 H new ATOM 0 HA ASN A 87 15.086 4.802 2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.351 5.680 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.190 6.758 2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.484 6.139 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.300 5.094 -0.445 1.00 0.00 H new ATOM 1249 N THR A 88 12.554 4.344 4.446 1.00 0.00 N ATOM 1250 CA THR A 88 12.148 4.342 5.841 1.00 0.00 C ATOM 1251 C THR A 88 13.337 3.998 6.741 1.00 0.00 C ATOM 1252 O THR A 88 14.321 3.420 6.282 1.00 0.00 O ATOM 1253 CB THR A 88 10.973 3.373 5.991 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.465 2.146 5.459 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.800 3.732 5.077 1.00 0.00 C ATOM 0 H THR A 88 11.870 3.946 3.802 1.00 0.00 H new ATOM 0 HA THR A 88 11.815 5.331 6.157 1.00 0.00 H new ATOM 0 HB THR A 88 10.637 3.366 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.999 1.943 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.993 3.014 5.222 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.443 4.733 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.127 3.705 4.038 1.00 0.00 H new ATOM 1263 N LYS A 89 13.207 4.368 8.007 1.00 0.00 N ATOM 1264 CA LYS A 89 14.258 4.106 8.975 1.00 0.00 C ATOM 1265 C LYS A 89 13.655 3.419 10.202 1.00 0.00 C ATOM 1266 O LYS A 89 12.446 3.206 10.267 1.00 0.00 O ATOM 1267 CB LYS A 89 15.018 5.392 9.302 1.00 0.00 C ATOM 1268 CG LYS A 89 15.327 6.185 8.030 1.00 0.00 C ATOM 1269 CD LYS A 89 14.133 7.048 7.619 1.00 0.00 C ATOM 1270 CE LYS A 89 14.587 8.445 7.192 1.00 0.00 C ATOM 1271 NZ LYS A 89 14.302 8.667 5.757 1.00 0.00 N ATOM 0 H LYS A 89 12.389 4.847 8.384 1.00 0.00 H new ATOM 0 HA LYS A 89 14.998 3.423 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.427 6.005 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.947 5.149 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.199 6.818 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.580 5.499 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.599 6.569 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.434 7.128 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.076 9.199 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.655 8.560 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.616 9.620 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.809 7.959 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.280 8.578 5.588 1.00 0.00 H new ATOM 1285 N GLY A 90 14.527 3.091 11.145 1.00 0.00 N ATOM 1286 CA GLY A 90 14.096 2.432 12.366 1.00 0.00 C ATOM 1287 C GLY A 90 12.581 2.546 12.545 1.00 0.00 C ATOM 1288 O GLY A 90 11.837 1.646 12.158 1.00 0.00 O ATOM 0 H GLY A 90 15.530 3.269 11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.384 1.381 12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.602 2.878 13.222 1.00 0.00 H new ATOM 1292 N ASN A 91 12.168 3.660 13.132 1.00 0.00 N ATOM 1293 CA ASN A 91 10.755 3.903 13.367 1.00 0.00 C ATOM 1294 C ASN A 91 10.099 4.369 12.065 1.00 0.00 C ATOM 1295 O ASN A 91 10.556 5.326 11.443 1.00 0.00 O ATOM 1296 CB ASN A 91 10.552 4.998 14.416 1.00 0.00 C ATOM 1297 CG ASN A 91 9.742 4.475 15.605 1.00 0.00 C ATOM 1298 OD1 ASN A 91 10.003 4.790 16.754 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.748 3.659 15.265 1.00 0.00 N ATOM 0 H ASN A 91 12.788 4.404 13.452 1.00 0.00 H new ATOM 0 HA ASN A 91 10.307 2.975 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.520 5.359 14.762 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.037 5.847 13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.150 3.256 15.986 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.584 3.436 14.283 1.00 0.00 H new ATOM 1306 N VAL A 92 9.037 3.669 11.693 1.00 0.00 N ATOM 1307 CA VAL A 92 8.313 3.999 10.477 1.00 0.00 C ATOM 1308 C VAL A 92 6.827 4.165 10.802 1.00 0.00 C ATOM 1309 O VAL A 92 6.242 3.332 11.492 1.00 0.00 O ATOM 1310 CB VAL A 92 8.576 2.937 9.407 1.00 0.00 C ATOM 1311 CG1 VAL A 92 7.943 3.334 8.072 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.075 2.678 9.248 1.00 0.00 C ATOM 0 H VAL A 92 8.661 2.875 12.212 1.00 0.00 H new ATOM 0 HA VAL A 92 8.664 4.947 10.069 1.00 0.00 H new ATOM 0 HB VAL A 92 8.109 2.009 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.145 2.562 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.866 3.443 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.366 4.280 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.234 1.919 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.575 3.601 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.486 2.329 10.195 1.00 0.00 H new ATOM 1322 N ARG A 93 6.260 5.247 10.289 1.00 0.00 N ATOM 1323 CA ARG A 93 4.853 5.533 10.516 1.00 0.00 C ATOM 1324 C ARG A 93 4.022 5.101 9.307 1.00 0.00 C ATOM 1325 O ARG A 93 4.017 5.776 8.279 1.00 0.00 O ATOM 1326 CB ARG A 93 4.629 7.025 10.774 1.00 0.00 C ATOM 1327 CG ARG A 93 3.794 7.244 12.037 1.00 0.00 C ATOM 1328 CD ARG A 93 3.069 8.590 11.988 1.00 0.00 C ATOM 1329 NE ARG A 93 3.160 9.262 13.303 1.00 0.00 N ATOM 1330 CZ ARG A 93 4.211 9.992 13.703 1.00 0.00 C ATOM 1331 NH1 ARG A 93 5.265 10.149 12.891 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.206 10.566 14.914 1.00 0.00 N ATOM 0 H ARG A 93 6.749 5.936 9.717 1.00 0.00 H new ATOM 0 HA ARG A 93 4.538 4.972 11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.590 7.528 10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.125 7.474 9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.067 6.439 12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.439 7.206 12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.509 9.222 11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.024 8.440 11.719 1.00 0.00 H new ATOM 0 HE ARG A 93 2.374 9.164 13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.268 9.713 11.969 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.065 10.704 13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.403 10.447 15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.006 11.121 15.218 1.00 0.00 H new ATOM 1346 N PHE A 94 3.337 3.978 9.471 1.00 0.00 N ATOM 1347 CA PHE A 94 2.504 3.448 8.405 1.00 0.00 C ATOM 1348 C PHE A 94 1.032 3.802 8.633 1.00 0.00 C ATOM 1349 O PHE A 94 0.461 3.460 9.667 1.00 0.00 O ATOM 1350 CB PHE A 94 2.660 1.926 8.430 1.00 0.00 C ATOM 1351 CG PHE A 94 4.090 1.444 8.177 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.556 1.336 6.904 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.894 1.122 9.225 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.883 0.888 6.669 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.221 0.674 8.990 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.687 0.566 7.717 1.00 0.00 C ATOM 0 H PHE A 94 3.342 3.421 10.326 1.00 0.00 H new ATOM 0 HA PHE A 94 2.809 3.872 7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.327 1.553 9.399 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.002 1.491 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.917 1.591 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.524 1.207 10.236 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.253 0.803 5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.860 0.419 9.822 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.696 0.224 7.539 1.00 0.00 H new ATOM 1366 N VAL A 95 0.461 4.482 7.649 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.932 4.885 7.729 1.00 0.00 C ATOM 1368 C VAL A 95 -1.793 3.885 6.954 1.00 0.00 C ATOM 1369 O VAL A 95 -1.968 4.018 5.744 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.090 6.323 7.231 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.511 6.573 6.721 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.714 7.326 8.323 1.00 0.00 C ATOM 0 H VAL A 95 0.938 4.764 6.793 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.274 4.875 8.764 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.404 6.466 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.597 7.602 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.727 5.892 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.223 6.403 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.835 8.340 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.362 7.183 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.324 7.171 8.618 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.309 2.907 7.684 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.147 1.885 7.080 1.00 0.00 C ATOM 1384 C ILE A 96 -4.561 2.439 6.889 1.00 0.00 C ATOM 1385 O ILE A 96 -5.000 3.305 7.644 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.098 0.596 7.903 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.701 0.369 8.483 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.578 -0.599 7.078 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.627 0.528 7.404 1.00 0.00 C ATOM 0 H ILE A 96 -2.163 2.801 8.688 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.771 1.619 6.092 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.782 0.701 8.745 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.519 1.079 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.641 -0.629 8.917 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.533 -1.502 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.605 -0.429 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.938 -0.718 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.357 0.362 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.798 -0.199 6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.674 1.535 6.990 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.234 1.917 5.874 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.588 2.349 5.573 1.00 0.00 C ATOM 1403 C GLY A 97 -7.569 1.178 5.659 1.00 0.00 C ATOM 1404 O GLY A 97 -7.638 0.353 4.749 1.00 0.00 O ATOM 0 H GLY A 97 -4.867 1.199 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.888 3.131 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.621 2.783 4.574 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.303 1.142 6.762 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.276 0.085 6.979 1.00 0.00 C ATOM 1410 C ARG A 98 -10.692 0.609 6.733 1.00 0.00 C ATOM 1411 O ARG A 98 -10.974 1.782 6.974 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.183 -0.465 8.404 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.893 -1.967 8.393 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.407 -2.240 8.635 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.224 -3.605 9.176 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.341 -4.724 8.447 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -7.642 -4.646 7.144 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -7.158 -5.920 9.022 1.00 0.00 N ATOM 0 H ARG A 98 -8.243 1.828 7.515 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.055 -0.719 6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.396 0.057 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.117 -0.275 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.487 -2.461 9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.193 -2.392 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.853 -2.132 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.003 -1.506 9.333 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.995 -3.701 10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.782 -3.735 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.731 -5.497 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.930 -5.979 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.247 -6.771 8.467 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.546 -0.285 6.257 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.926 0.073 5.976 1.00 0.00 C ATOM 1434 C GLU A 99 -13.679 0.346 7.279 1.00 0.00 C ATOM 1435 O GLU A 99 -13.705 -0.498 8.174 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.620 -1.019 5.160 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.853 -0.562 3.718 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.920 -1.759 2.768 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -12.865 -2.408 2.597 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -15.024 -1.998 2.233 1.00 0.00 O ATOM 0 H GLU A 99 -11.309 -1.257 6.059 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.930 0.985 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.012 -1.923 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.573 -1.274 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.781 0.007 3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.049 0.107 3.410 1.00 0.00 H new