USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 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 83 ASN :FLIP amide:sc= -0.0996 F(o=-1.5!,f=-0.1) USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -0.0035 F(o=-1.5,f=-0.1) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 53 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.4!) USER MOD Single : A 59 SER OG : rot 74:sc= 0.401 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.07 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= -0.299 (180deg=-2.04!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 69:sc= 1 USER MOD Single : A 86 THR OG1 : rot -37:sc= 0.923 USER MOD Single : A 87 HIS : no HE2:sc= -0.0183 X(o=-0.018,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= -0.009 (180deg=-0.336) USER MOD Single : A 104 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -3.240 -13.274 -1.586 1.00 0.00 N ATOM 118 CA ILE A 46 -2.630 -12.020 -2.029 1.00 0.00 C ATOM 119 C ILE A 46 -1.293 -11.757 -1.329 1.00 0.00 C ATOM 120 O ILE A 46 -0.456 -11.014 -1.845 1.00 0.00 O ATOM 121 CB ILE A 46 -3.567 -10.810 -1.806 1.00 0.00 C ATOM 122 CG1 ILE A 46 -4.007 -10.712 -0.340 1.00 0.00 C ATOM 123 CG2 ILE A 46 -4.780 -10.899 -2.722 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.604 -9.368 0.019 1.00 0.00 C ATOM 0 HA ILE A 46 -2.453 -12.135 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.011 -9.905 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.739 -11.493 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.148 -10.903 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.428 -10.040 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.451 -10.905 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.330 -11.816 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.894 -9.368 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.867 -8.584 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.482 -9.183 -0.599 1.00 0.00 H new ATOM 136 N ALA A 47 -1.091 -12.367 -0.157 1.00 0.00 N ATOM 137 CA ALA A 47 0.151 -12.191 0.598 1.00 0.00 C ATOM 138 C ALA A 47 1.372 -12.637 -0.212 1.00 0.00 C ATOM 139 O ALA A 47 2.477 -12.134 -0.006 1.00 0.00 O ATOM 140 CB ALA A 47 0.084 -12.955 1.913 1.00 0.00 C ATOM 0 H ALA A 47 -1.770 -12.985 0.287 1.00 0.00 H new ATOM 0 HA ALA A 47 0.262 -11.127 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.014 -12.815 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.749 -12.582 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.061 -14.016 1.710 1.00 0.00 H new ATOM 146 N ASN A 48 1.164 -13.577 -1.137 1.00 0.00 N ATOM 147 CA ASN A 48 2.247 -14.080 -1.981 1.00 0.00 C ATOM 148 C ASN A 48 2.542 -13.112 -3.126 1.00 0.00 C ATOM 149 O ASN A 48 3.665 -13.051 -3.625 1.00 0.00 O ATOM 150 CB ASN A 48 1.888 -15.458 -2.544 1.00 0.00 C ATOM 151 CG ASN A 48 3.023 -16.455 -2.396 1.00 0.00 C ATOM 152 OD1 ASN A 48 4.179 -16.145 -2.682 1.00 0.00 O ATOM 153 ND2 ASN A 48 2.699 -17.666 -1.952 1.00 0.00 N ATOM 0 H ASN A 48 0.256 -14.004 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 48 3.141 -14.169 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.004 -15.838 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.628 -15.361 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.421 -18.377 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.728 -17.883 -1.726 1.00 0.00 H new ATOM 160 N PHE A 49 1.521 -12.356 -3.535 1.00 0.00 N ATOM 161 CA PHE A 49 1.658 -11.383 -4.615 1.00 0.00 C ATOM 162 C PHE A 49 2.759 -10.360 -4.307 1.00 0.00 C ATOM 163 O PHE A 49 3.443 -9.883 -5.214 1.00 0.00 O ATOM 164 CB PHE A 49 0.321 -10.671 -4.842 1.00 0.00 C ATOM 165 CG PHE A 49 -0.271 -10.905 -6.205 1.00 0.00 C ATOM 166 CD1 PHE A 49 -0.582 -12.187 -6.632 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.517 -9.841 -7.057 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.128 -12.401 -7.884 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.062 -10.050 -8.309 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.367 -11.331 -8.723 1.00 0.00 C ATOM 0 H PHE A 49 0.586 -12.401 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 49 1.943 -11.916 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.390 -11.004 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.462 -9.600 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.396 -13.027 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.280 -8.837 -6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.367 -13.404 -8.205 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.249 -9.212 -8.964 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.792 -11.496 -9.702 1.00 0.00 H new ATOM 180 N LEU A 50 2.928 -10.033 -3.023 1.00 0.00 N ATOM 181 CA LEU A 50 3.950 -9.076 -2.598 1.00 0.00 C ATOM 182 C LEU A 50 5.280 -9.782 -2.333 1.00 0.00 C ATOM 183 O LEU A 50 5.338 -11.011 -2.261 1.00 0.00 O ATOM 184 CB LEU A 50 3.497 -8.333 -1.334 1.00 0.00 C ATOM 185 CG LEU A 50 2.604 -7.111 -1.576 1.00 0.00 C ATOM 186 CD1 LEU A 50 1.134 -7.488 -1.453 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.955 -5.993 -0.603 1.00 0.00 C ATOM 0 H LEU A 50 2.370 -10.417 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 50 4.091 -8.356 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.960 -9.033 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.382 -8.012 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 50 2.780 -6.752 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.517 -6.607 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.892 -8.253 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.940 -7.874 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.311 -5.133 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.809 -6.341 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.997 -5.703 -0.742 1.00 0.00 H new ATOM 199 N GLU A 51 6.347 -8.997 -2.184 1.00 0.00 N ATOM 200 CA GLU A 51 7.677 -9.547 -1.924 1.00 0.00 C ATOM 201 C GLU A 51 8.008 -9.494 -0.432 1.00 0.00 C ATOM 202 O GLU A 51 7.442 -8.685 0.304 1.00 0.00 O ATOM 203 CB GLU A 51 8.738 -8.778 -2.720 1.00 0.00 C ATOM 204 CG GLU A 51 8.348 -8.512 -4.168 1.00 0.00 C ATOM 205 CD GLU A 51 9.486 -8.767 -5.139 1.00 0.00 C ATOM 206 OE1 GLU A 51 10.353 -7.880 -5.283 1.00 0.00 O ATOM 207 OE2 GLU A 51 9.508 -9.853 -5.754 1.00 0.00 O ATOM 0 H GLU A 51 6.316 -7.979 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 51 7.678 -10.589 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.931 -7.826 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.671 -9.341 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.501 -9.145 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.017 -7.478 -4.266 1.00 0.00 H new ATOM 214 N PRO A 52 8.939 -10.356 0.036 1.00 0.00 N ATOM 215 CA PRO A 52 9.344 -10.398 1.449 1.00 0.00 C ATOM 216 C PRO A 52 9.784 -9.029 1.967 1.00 0.00 C ATOM 217 O PRO A 52 9.357 -8.599 3.039 1.00 0.00 O ATOM 218 CB PRO A 52 10.521 -11.379 1.457 1.00 0.00 C ATOM 219 CG PRO A 52 10.312 -12.236 0.257 1.00 0.00 C ATOM 220 CD PRO A 52 9.665 -11.353 -0.774 1.00 0.00 C ATOM 0 HA PRO A 52 8.522 -10.697 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.474 -10.853 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.534 -11.974 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.259 -12.634 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.677 -13.090 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.405 -10.883 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.990 -11.916 -1.418 1.00 0.00 H new ATOM 228 N GLN A 53 10.624 -8.342 1.190 1.00 0.00 N ATOM 229 CA GLN A 53 11.104 -7.013 1.566 1.00 0.00 C ATOM 230 C GLN A 53 9.964 -5.998 1.513 1.00 0.00 C ATOM 231 O GLN A 53 9.835 -5.148 2.395 1.00 0.00 O ATOM 232 CB GLN A 53 12.242 -6.568 0.640 1.00 0.00 C ATOM 233 CG GLN A 53 13.621 -6.989 1.121 1.00 0.00 C ATOM 234 CD GLN A 53 14.183 -6.055 2.177 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.891 -4.859 2.185 1.00 0.00 O ATOM 236 NE2 GLN A 53 14.996 -6.597 3.077 1.00 0.00 N ATOM 0 H GLN A 53 10.984 -8.684 0.299 1.00 0.00 H new ATOM 0 HA GLN A 53 11.483 -7.065 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.072 -6.981 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.216 -5.483 0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.567 -7.999 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.303 -7.023 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.212 -7.593 3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.404 -6.017 3.810 1.00 0.00 H new ATOM 245 N ALA A 54 9.133 -6.104 0.475 1.00 0.00 N ATOM 246 CA ALA A 54 7.994 -5.207 0.303 1.00 0.00 C ATOM 247 C ALA A 54 7.009 -5.335 1.467 1.00 0.00 C ATOM 248 O ALA A 54 6.476 -4.335 1.951 1.00 0.00 O ATOM 249 CB ALA A 54 7.292 -5.494 -1.016 1.00 0.00 C ATOM 0 H ALA A 54 9.230 -6.805 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 54 8.369 -4.184 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.445 -4.818 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.990 -5.345 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.938 -6.525 -1.023 1.00 0.00 H new ATOM 255 N LEU A 55 6.774 -6.572 1.910 1.00 0.00 N ATOM 256 CA LEU A 55 5.855 -6.837 3.018 1.00 0.00 C ATOM 257 C LEU A 55 6.316 -6.136 4.297 1.00 0.00 C ATOM 258 O LEU A 55 5.508 -5.538 5.010 1.00 0.00 O ATOM 259 CB LEU A 55 5.732 -8.345 3.263 1.00 0.00 C ATOM 260 CG LEU A 55 4.335 -8.926 3.028 1.00 0.00 C ATOM 261 CD1 LEU A 55 4.426 -10.311 2.403 1.00 0.00 C ATOM 262 CD2 LEU A 55 3.550 -8.975 4.332 1.00 0.00 C ATOM 0 H LEU A 55 7.209 -7.407 1.517 1.00 0.00 H new ATOM 0 HA LEU A 55 4.878 -6.440 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.438 -8.862 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.029 -8.557 4.290 1.00 0.00 H new ATOM 0 HG LEU A 55 3.806 -8.274 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.422 -10.705 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.945 -10.245 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.976 -10.976 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.560 -9.391 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.077 -9.602 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.450 -7.967 4.735 1.00 0.00 H new ATOM 274 N GLU A 56 7.619 -6.208 4.575 1.00 0.00 N ATOM 275 CA GLU A 56 8.191 -5.573 5.763 1.00 0.00 C ATOM 276 C GLU A 56 7.958 -4.060 5.735 1.00 0.00 C ATOM 277 O GLU A 56 7.629 -3.455 6.757 1.00 0.00 O ATOM 278 CB GLU A 56 9.692 -5.874 5.857 1.00 0.00 C ATOM 279 CG GLU A 56 10.342 -5.355 7.134 1.00 0.00 C ATOM 280 CD GLU A 56 11.707 -5.969 7.402 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.884 -7.177 7.138 1.00 0.00 O ATOM 282 OE2 GLU A 56 12.599 -5.238 7.882 1.00 0.00 O ATOM 0 H GLU A 56 8.298 -6.700 3.994 1.00 0.00 H new ATOM 0 HA GLU A 56 7.693 -5.982 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.842 -6.952 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.197 -5.433 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.444 -4.272 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.685 -5.562 7.979 1.00 0.00 H new ATOM 289 N ARG A 57 8.128 -3.458 4.555 1.00 0.00 N ATOM 290 CA ARG A 57 7.935 -2.021 4.387 1.00 0.00 C ATOM 291 C ARG A 57 6.474 -1.633 4.616 1.00 0.00 C ATOM 292 O ARG A 57 6.187 -0.668 5.328 1.00 0.00 O ATOM 293 CB ARG A 57 8.377 -1.588 2.986 1.00 0.00 C ATOM 294 CG ARG A 57 8.500 -0.082 2.822 1.00 0.00 C ATOM 295 CD ARG A 57 7.161 0.554 2.487 1.00 0.00 C ATOM 296 NE ARG A 57 6.871 1.707 3.340 1.00 0.00 N ATOM 297 CZ ARG A 57 7.452 2.904 3.206 1.00 0.00 C ATOM 298 NH1 ARG A 57 8.367 3.109 2.262 1.00 0.00 N ATOM 299 NH2 ARG A 57 7.119 3.899 4.023 1.00 0.00 N ATOM 0 H ARG A 57 8.399 -3.947 3.702 1.00 0.00 H new ATOM 0 HA ARG A 57 8.546 -1.509 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.338 -2.049 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.662 -1.967 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.891 0.354 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.218 0.141 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.160 0.867 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.370 -0.187 2.599 1.00 0.00 H new ATOM 0 HE ARG A 57 6.182 1.590 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.630 2.350 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.805 4.025 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.421 3.749 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.562 4.812 3.921 1.00 0.00 H new ATOM 313 N LEU A 58 5.554 -2.389 4.011 1.00 0.00 N ATOM 314 CA LEU A 58 4.123 -2.120 4.156 1.00 0.00 C ATOM 315 C LEU A 58 3.702 -2.192 5.624 1.00 0.00 C ATOM 316 O LEU A 58 2.864 -1.410 6.076 1.00 0.00 O ATOM 317 CB LEU A 58 3.300 -3.108 3.321 1.00 0.00 C ATOM 318 CG LEU A 58 1.935 -2.588 2.856 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.092 -1.293 2.070 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.217 -3.639 2.018 1.00 0.00 C ATOM 0 H LEU A 58 5.774 -3.189 3.418 1.00 0.00 H new ATOM 0 HA LEU A 58 3.932 -1.111 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.882 -3.391 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.146 -4.014 3.907 1.00 0.00 H new ATOM 0 HG LEU A 58 1.330 -2.381 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.112 -0.941 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.560 -0.538 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.717 -1.472 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.250 -3.251 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.820 -3.880 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.067 -4.539 2.614 1.00 0.00 H new ATOM 332 N SER A 59 4.297 -3.126 6.367 1.00 0.00 N ATOM 333 CA SER A 59 3.995 -3.287 7.787 1.00 0.00 C ATOM 334 C SER A 59 4.442 -2.057 8.577 1.00 0.00 C ATOM 335 O SER A 59 3.747 -1.610 9.491 1.00 0.00 O ATOM 336 CB SER A 59 4.677 -4.541 8.341 1.00 0.00 C ATOM 337 OG SER A 59 4.181 -5.712 7.714 1.00 0.00 O ATOM 0 H SER A 59 4.991 -3.782 6.008 1.00 0.00 H new ATOM 0 HA SER A 59 2.916 -3.397 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.754 -4.471 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.512 -4.603 9.417 1.00 0.00 H new ATOM 0 HG SER A 59 4.544 -5.775 6.806 1.00 0.00 H new ATOM 343 N ARG A 60 5.606 -1.511 8.213 1.00 0.00 N ATOM 344 CA ARG A 60 6.146 -0.329 8.885 1.00 0.00 C ATOM 345 C ARG A 60 5.256 0.892 8.651 1.00 0.00 C ATOM 346 O ARG A 60 4.959 1.636 9.586 1.00 0.00 O ATOM 347 CB ARG A 60 7.573 -0.041 8.403 1.00 0.00 C ATOM 348 CG ARG A 60 8.348 0.901 9.314 1.00 0.00 C ATOM 349 CD ARG A 60 9.813 0.503 9.421 1.00 0.00 C ATOM 350 NE ARG A 60 10.322 0.636 10.787 1.00 0.00 N ATOM 351 CZ ARG A 60 10.109 -0.260 11.756 1.00 0.00 C ATOM 352 NH1 ARG A 60 9.372 -1.345 11.524 1.00 0.00 N ATOM 353 NH2 ARG A 60 10.628 -0.065 12.963 1.00 0.00 N ATOM 0 H ARG A 60 6.191 -1.869 7.458 1.00 0.00 H new ATOM 0 HA ARG A 60 6.170 -0.535 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.116 -0.982 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.529 0.389 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.275 1.919 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.897 0.900 10.306 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.933 -0.528 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.407 1.125 8.751 1.00 0.00 H new ATOM 0 HE ARG A 60 10.873 1.464 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.965 -1.497 10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.215 -2.024 12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.188 0.767 13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.467 -0.747 13.704 1.00 0.00 H new ATOM 367 N VAL A 61 4.830 1.095 7.401 1.00 0.00 N ATOM 368 CA VAL A 61 3.970 2.229 7.065 1.00 0.00 C ATOM 369 C VAL A 61 2.594 2.098 7.724 1.00 0.00 C ATOM 370 O VAL A 61 2.040 3.084 8.207 1.00 0.00 O ATOM 371 CB VAL A 61 3.814 2.421 5.534 1.00 0.00 C ATOM 372 CG1 VAL A 61 3.197 1.198 4.873 1.00 0.00 C ATOM 373 CG2 VAL A 61 2.996 3.669 5.230 1.00 0.00 C ATOM 0 H VAL A 61 5.065 0.493 6.612 1.00 0.00 H new ATOM 0 HA VAL A 61 4.465 3.117 7.459 1.00 0.00 H new ATOM 0 HB VAL A 61 4.812 2.549 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.104 1.372 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.834 0.331 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.210 1.014 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.898 3.786 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.006 3.573 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.498 4.543 5.646 1.00 0.00 H new ATOM 383 N ALA A 62 2.049 0.876 7.745 1.00 0.00 N ATOM 384 CA ALA A 62 0.738 0.623 8.353 1.00 0.00 C ATOM 385 C ALA A 62 0.688 1.060 9.823 1.00 0.00 C ATOM 386 O ALA A 62 -0.386 1.367 10.343 1.00 0.00 O ATOM 387 CB ALA A 62 0.372 -0.851 8.238 1.00 0.00 C ATOM 0 H ALA A 62 2.495 0.049 7.349 1.00 0.00 H new ATOM 0 HA ALA A 62 0.011 1.221 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.603 -1.020 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.335 -1.136 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.122 -1.453 8.751 1.00 0.00 H new ATOM 393 N LEU A 63 1.848 1.089 10.489 1.00 0.00 N ATOM 394 CA LEU A 63 1.918 1.494 11.895 1.00 0.00 C ATOM 395 C LEU A 63 1.810 3.013 12.037 1.00 0.00 C ATOM 396 O LEU A 63 1.357 3.517 13.064 1.00 0.00 O ATOM 397 CB LEU A 63 3.226 1.011 12.532 1.00 0.00 C ATOM 398 CG LEU A 63 3.154 -0.353 13.229 1.00 0.00 C ATOM 399 CD1 LEU A 63 2.815 -1.455 12.234 1.00 0.00 C ATOM 400 CD2 LEU A 63 4.468 -0.659 13.937 1.00 0.00 C ATOM 0 H LEU A 63 2.747 0.838 10.078 1.00 0.00 H new ATOM 0 HA LEU A 63 1.076 1.034 12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.992 0.964 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.553 1.755 13.259 1.00 0.00 H new ATOM 0 HG LEU A 63 2.359 -0.313 13.974 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.770 -2.412 12.753 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.849 -1.246 11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.583 -1.497 11.462 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.400 -1.631 14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.279 -0.676 13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.667 0.110 14.683 1.00 0.00 H new ATOM 412 N VAL A 64 2.234 3.735 11.001 1.00 0.00 N ATOM 413 CA VAL A 64 2.188 5.194 11.009 1.00 0.00 C ATOM 414 C VAL A 64 0.945 5.706 10.284 1.00 0.00 C ATOM 415 O VAL A 64 0.177 6.496 10.833 1.00 0.00 O ATOM 416 CB VAL A 64 3.446 5.822 10.358 1.00 0.00 C ATOM 417 CG1 VAL A 64 4.058 6.858 11.286 1.00 0.00 C ATOM 418 CG2 VAL A 64 4.478 4.763 9.987 1.00 0.00 C ATOM 0 H VAL A 64 2.614 3.331 10.145 1.00 0.00 H new ATOM 0 HA VAL A 64 2.154 5.495 12.056 1.00 0.00 H new ATOM 0 HB VAL A 64 3.132 6.312 9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.941 7.291 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.330 7.644 11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.343 6.383 12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.345 5.243 9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.788 4.227 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.040 4.061 9.278 1.00 0.00 H new ATOM 428 N ARG A 65 0.752 5.242 9.050 1.00 0.00 N ATOM 429 CA ARG A 65 -0.399 5.640 8.246 1.00 0.00 C ATOM 430 C ARG A 65 -1.074 4.414 7.638 1.00 0.00 C ATOM 431 O ARG A 65 -0.795 4.041 6.496 1.00 0.00 O ATOM 432 CB ARG A 65 0.023 6.609 7.138 1.00 0.00 C ATOM 433 CG ARG A 65 0.374 8.001 7.640 1.00 0.00 C ATOM 434 CD ARG A 65 1.543 8.596 6.868 1.00 0.00 C ATOM 435 NE ARG A 65 1.622 10.049 7.022 1.00 0.00 N ATOM 436 CZ ARG A 65 2.044 10.664 8.132 1.00 0.00 C ATOM 437 NH1 ARG A 65 2.435 9.955 9.190 1.00 0.00 N ATOM 438 NH2 ARG A 65 2.079 11.991 8.181 1.00 0.00 N ATOM 0 H ARG A 65 1.382 4.588 8.585 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.110 6.147 8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.884 6.194 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.785 6.688 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.495 8.652 7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.623 7.954 8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.473 8.144 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.442 8.349 5.811 1.00 0.00 H new ATOM 0 HE ARG A 65 1.337 10.629 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.414 8.936 9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.756 10.431 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.784 12.539 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.401 12.462 9.027 1.00 0.00 H new ATOM 452 N ARG A 66 -1.965 3.790 8.409 1.00 0.00 N ATOM 453 CA ARG A 66 -2.686 2.604 7.948 1.00 0.00 C ATOM 454 C ARG A 66 -3.463 2.898 6.664 1.00 0.00 C ATOM 455 O ARG A 66 -3.629 2.018 5.821 1.00 0.00 O ATOM 456 CB ARG A 66 -3.638 2.092 9.034 1.00 0.00 C ATOM 457 CG ARG A 66 -4.050 0.638 8.847 1.00 0.00 C ATOM 458 CD ARG A 66 -5.526 0.427 9.162 1.00 0.00 C ATOM 459 NE ARG A 66 -5.744 -0.702 10.069 1.00 0.00 N ATOM 460 CZ ARG A 66 -6.854 -0.876 10.793 1.00 0.00 C ATOM 461 NH1 ARG A 66 -7.856 -0.003 10.713 1.00 0.00 N ATOM 462 NH2 ARG A 66 -6.964 -1.927 11.598 1.00 0.00 N ATOM 0 H ARG A 66 -2.204 4.086 9.355 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.949 1.830 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.159 2.203 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.532 2.716 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.849 0.332 7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.445 0.002 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.933 1.334 9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.073 0.256 8.235 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.003 -1.398 10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.780 0.806 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.700 -0.143 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.201 -2.601 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.811 -2.060 12.151 1.00 0.00 H new ATOM 476 N ASP A 67 -3.933 4.142 6.521 1.00 0.00 N ATOM 477 CA ASP A 67 -4.688 4.556 5.339 1.00 0.00 C ATOM 478 C ASP A 67 -3.901 4.278 4.058 1.00 0.00 C ATOM 479 O ASP A 67 -4.452 3.775 3.078 1.00 0.00 O ATOM 480 CB ASP A 67 -5.030 6.050 5.422 1.00 0.00 C ATOM 481 CG ASP A 67 -6.375 6.312 6.076 1.00 0.00 C ATOM 482 OD1 ASP A 67 -6.685 5.654 7.092 1.00 0.00 O ATOM 483 OD2 ASP A 67 -7.117 7.182 5.572 1.00 0.00 O ATOM 0 H ASP A 67 -3.802 4.880 7.213 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.610 3.976 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.251 6.565 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.031 6.474 4.418 1.00 0.00 H new ATOM 488 N ARG A 68 -2.610 4.607 4.076 1.00 0.00 N ATOM 489 CA ARG A 68 -1.746 4.393 2.919 1.00 0.00 C ATOM 490 C ARG A 68 -1.588 2.902 2.621 1.00 0.00 C ATOM 491 O ARG A 68 -1.754 2.472 1.481 1.00 0.00 O ATOM 492 CB ARG A 68 -0.376 5.039 3.151 1.00 0.00 C ATOM 493 CG ARG A 68 -0.186 6.346 2.398 1.00 0.00 C ATOM 494 CD ARG A 68 -0.797 7.522 3.149 1.00 0.00 C ATOM 495 NE ARG A 68 -2.252 7.585 2.992 1.00 0.00 N ATOM 496 CZ ARG A 68 -2.986 8.676 3.229 1.00 0.00 C ATOM 497 NH1 ARG A 68 -2.410 9.805 3.631 1.00 0.00 N ATOM 498 NH2 ARG A 68 -4.303 8.638 3.063 1.00 0.00 N ATOM 0 H ARG A 68 -2.140 5.023 4.880 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.214 4.863 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.245 5.221 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.403 4.339 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.878 6.526 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.642 6.267 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.551 7.442 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.354 8.450 2.788 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.736 6.742 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.399 9.844 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.979 10.632 3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.754 7.776 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.864 9.470 3.244 1.00 0.00 H new ATOM 512 N ALA A 69 -1.276 2.117 3.654 1.00 0.00 N ATOM 513 CA ALA A 69 -1.107 0.671 3.496 1.00 0.00 C ATOM 514 C ALA A 69 -2.421 -0.001 3.096 1.00 0.00 C ATOM 515 O ALA A 69 -2.425 -0.953 2.314 1.00 0.00 O ATOM 516 CB ALA A 69 -0.569 0.052 4.778 1.00 0.00 C ATOM 0 H ALA A 69 -1.136 2.456 4.606 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.385 0.507 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.450 -1.023 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.397 0.496 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.268 0.239 5.593 1.00 0.00 H new ATOM 522 N GLN A 70 -3.531 0.505 3.636 1.00 0.00 N ATOM 523 CA GLN A 70 -4.856 -0.037 3.339 1.00 0.00 C ATOM 524 C GLN A 70 -5.166 0.066 1.849 1.00 0.00 C ATOM 525 O GLN A 70 -5.727 -0.855 1.258 1.00 0.00 O ATOM 526 CB GLN A 70 -5.929 0.703 4.142 1.00 0.00 C ATOM 527 CG GLN A 70 -7.142 -0.151 4.470 1.00 0.00 C ATOM 528 CD GLN A 70 -8.447 0.542 4.134 1.00 0.00 C ATOM 529 OE1 GLN A 70 -9.187 0.960 5.024 1.00 0.00 O ATOM 530 NE2 GLN A 70 -8.736 0.669 2.843 1.00 0.00 N ATOM 0 H GLN A 70 -3.537 1.293 4.284 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.858 -1.089 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.489 1.066 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.253 1.578 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.081 -1.090 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.130 -0.402 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.093 0.307 2.138 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.601 1.128 2.557 1.00 0.00 H new ATOM 539 N ALA A 71 -4.794 1.192 1.246 1.00 0.00 N ATOM 540 CA ALA A 71 -5.028 1.405 -0.177 1.00 0.00 C ATOM 541 C ALA A 71 -4.100 0.533 -1.023 1.00 0.00 C ATOM 542 O ALA A 71 -4.464 0.127 -2.127 1.00 0.00 O ATOM 543 CB ALA A 71 -4.858 2.875 -0.532 1.00 0.00 C ATOM 0 H ALA A 71 -4.331 1.968 1.720 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.055 1.114 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.036 3.015 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.571 3.471 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.844 3.193 -0.289 1.00 0.00 H new ATOM 549 N VAL A 72 -2.902 0.240 -0.503 1.00 0.00 N ATOM 550 CA VAL A 72 -1.939 -0.592 -1.228 1.00 0.00 C ATOM 551 C VAL A 72 -2.442 -2.034 -1.353 1.00 0.00 C ATOM 552 O VAL A 72 -2.412 -2.612 -2.440 1.00 0.00 O ATOM 553 CB VAL A 72 -0.546 -0.602 -0.556 1.00 0.00 C ATOM 554 CG1 VAL A 72 0.447 -1.383 -1.406 1.00 0.00 C ATOM 555 CG2 VAL A 72 -0.046 0.817 -0.315 1.00 0.00 C ATOM 0 H VAL A 72 -2.580 0.564 0.409 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.840 -0.149 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.638 -1.095 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.423 -1.381 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.100 -2.410 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.530 -0.918 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.935 0.782 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.029 1.343 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.744 1.343 0.336 1.00 0.00 H new ATOM 565 N GLU A 73 -2.907 -2.606 -0.238 1.00 0.00 N ATOM 566 CA GLU A 73 -3.422 -3.979 -0.233 1.00 0.00 C ATOM 567 C GLU A 73 -4.728 -4.076 -1.024 1.00 0.00 C ATOM 568 O GLU A 73 -4.952 -5.047 -1.751 1.00 0.00 O ATOM 569 CB GLU A 73 -3.640 -4.480 1.205 1.00 0.00 C ATOM 570 CG GLU A 73 -4.523 -3.568 2.056 1.00 0.00 C ATOM 571 CD GLU A 73 -5.932 -4.105 2.270 1.00 0.00 C ATOM 572 OE1 GLU A 73 -6.408 -4.908 1.439 1.00 0.00 O ATOM 573 OE2 GLU A 73 -6.564 -3.711 3.272 1.00 0.00 O ATOM 0 H GLU A 73 -2.937 -2.142 0.670 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.676 -4.613 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.090 -5.472 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.671 -4.587 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.049 -3.420 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.585 -2.590 1.579 1.00 0.00 H new ATOM 580 N THR A 74 -5.582 -3.061 -0.882 1.00 0.00 N ATOM 581 CA THR A 74 -6.864 -3.027 -1.584 1.00 0.00 C ATOM 582 C THR A 74 -6.659 -2.796 -3.086 1.00 0.00 C ATOM 583 O THR A 74 -7.428 -3.296 -3.908 1.00 0.00 O ATOM 584 CB THR A 74 -7.777 -1.943 -0.987 1.00 0.00 C ATOM 585 OG1 THR A 74 -8.001 -2.173 0.395 1.00 0.00 O ATOM 586 CG2 THR A 74 -9.136 -1.858 -1.652 1.00 0.00 C ATOM 0 H THR A 74 -5.408 -2.251 -0.286 1.00 0.00 H new ATOM 0 HA THR A 74 -7.349 -3.995 -1.455 1.00 0.00 H new ATOM 0 HB THR A 74 -7.245 -1.007 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.283 -1.757 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.724 -1.072 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.010 -1.629 -2.710 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.653 -2.812 -1.546 1.00 0.00 H new ATOM 594 N TYR A 75 -5.617 -2.043 -3.435 1.00 0.00 N ATOM 595 CA TYR A 75 -5.303 -1.755 -4.829 1.00 0.00 C ATOM 596 C TYR A 75 -4.889 -3.033 -5.565 1.00 0.00 C ATOM 597 O TYR A 75 -5.354 -3.298 -6.676 1.00 0.00 O ATOM 598 CB TYR A 75 -4.188 -0.699 -4.889 1.00 0.00 C ATOM 599 CG TYR A 75 -3.417 -0.658 -6.188 1.00 0.00 C ATOM 600 CD1 TYR A 75 -2.360 -1.528 -6.416 1.00 0.00 C ATOM 601 CD2 TYR A 75 -3.738 0.259 -7.179 1.00 0.00 C ATOM 602 CE1 TYR A 75 -1.647 -1.488 -7.594 1.00 0.00 C ATOM 603 CE2 TYR A 75 -3.028 0.306 -8.361 1.00 0.00 C ATOM 604 CZ TYR A 75 -1.983 -0.570 -8.566 1.00 0.00 C ATOM 605 OH TYR A 75 -1.273 -0.527 -9.745 1.00 0.00 O ATOM 0 H TYR A 75 -4.974 -1.620 -2.765 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.190 -1.363 -5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.628 0.283 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.488 -0.885 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.092 -2.248 -5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.556 0.946 -7.023 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.828 -2.173 -7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.290 1.026 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.639 0.176 -10.322 1.00 0.00 H new ATOM 615 N LEU A 76 -4.012 -3.820 -4.936 1.00 0.00 N ATOM 616 CA LEU A 76 -3.530 -5.068 -5.528 1.00 0.00 C ATOM 617 C LEU A 76 -4.663 -6.082 -5.694 1.00 0.00 C ATOM 618 O LEU A 76 -4.798 -6.697 -6.753 1.00 0.00 O ATOM 619 CB LEU A 76 -2.413 -5.670 -4.668 1.00 0.00 C ATOM 620 CG LEU A 76 -1.509 -6.681 -5.383 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.861 -6.056 -6.612 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.448 -7.211 -4.427 1.00 0.00 C ATOM 0 H LEU A 76 -3.622 -3.614 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.136 -4.834 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.793 -4.859 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.865 -6.158 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.125 -7.516 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.225 -6.793 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.636 -5.728 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.258 -5.200 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.186 -7.928 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.162 -6.383 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.932 -7.702 -3.583 1.00 0.00 H new ATOM 634 N LYS A 77 -5.480 -6.248 -4.650 1.00 0.00 N ATOM 635 CA LYS A 77 -6.600 -7.189 -4.700 1.00 0.00 C ATOM 636 C LYS A 77 -7.598 -6.801 -5.793 1.00 0.00 C ATOM 637 O LYS A 77 -8.205 -7.668 -6.420 1.00 0.00 O ATOM 638 CB LYS A 77 -7.297 -7.291 -3.335 1.00 0.00 C ATOM 639 CG LYS A 77 -8.183 -6.102 -2.990 1.00 0.00 C ATOM 640 CD LYS A 77 -9.655 -6.483 -2.983 1.00 0.00 C ATOM 641 CE LYS A 77 -10.508 -5.407 -2.326 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.078 -4.455 -3.321 1.00 0.00 N ATOM 0 H LYS A 77 -5.387 -5.747 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.197 -8.171 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.903 -8.197 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.538 -7.400 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.903 -5.711 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.017 -5.302 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.995 -6.644 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.785 -7.426 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.319 -5.878 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.904 -4.857 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.594 -3.538 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.945 -4.834 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.094 -4.328 -3.137 1.00 0.00 H new ATOM 656 N LYS A 78 -7.758 -5.493 -6.023 1.00 0.00 N ATOM 657 CA LYS A 78 -8.675 -5.003 -7.049 1.00 0.00 C ATOM 658 C LYS A 78 -8.221 -5.452 -8.439 1.00 0.00 C ATOM 659 O LYS A 78 -9.025 -5.943 -9.230 1.00 0.00 O ATOM 660 CB LYS A 78 -8.761 -3.472 -7.000 1.00 0.00 C ATOM 661 CG LYS A 78 -9.936 -2.947 -6.191 1.00 0.00 C ATOM 662 CD LYS A 78 -10.134 -1.453 -6.405 1.00 0.00 C ATOM 663 CE LYS A 78 -10.311 -0.719 -5.084 1.00 0.00 C ATOM 664 NZ LYS A 78 -9.601 0.591 -5.074 1.00 0.00 N ATOM 0 H LYS A 78 -7.265 -4.760 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.662 -5.422 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.837 -3.079 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.833 -3.089 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.843 -3.480 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.769 -3.145 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.276 -1.044 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.008 -1.287 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.373 -0.557 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.936 -1.341 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.747 1.058 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.584 0.436 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.976 1.195 -5.833 1.00 0.00 H new ATOM 678 N LEU A 79 -6.927 -5.292 -8.724 1.00 0.00 N ATOM 679 CA LEU A 79 -6.369 -5.693 -10.018 1.00 0.00 C ATOM 680 C LEU A 79 -6.528 -7.194 -10.238 1.00 0.00 C ATOM 681 O LEU A 79 -6.939 -7.629 -11.315 1.00 0.00 O ATOM 682 CB LEU A 79 -4.888 -5.309 -10.107 1.00 0.00 C ATOM 683 CG LEU A 79 -4.613 -3.828 -10.387 1.00 0.00 C ATOM 684 CD1 LEU A 79 -3.342 -3.378 -9.680 1.00 0.00 C ATOM 685 CD2 LEU A 79 -4.511 -3.576 -11.886 1.00 0.00 C ATOM 0 H LEU A 79 -6.247 -4.889 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.920 -5.167 -10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.402 -5.581 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.422 -5.903 -10.893 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.447 -3.244 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.163 -2.324 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.454 -3.520 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.498 -3.968 -10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.316 -2.519 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.697 -4.171 -12.300 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.448 -3.858 -12.367 1.00 0.00 H new ATOM 697 N ILE A 80 -6.208 -7.981 -9.210 1.00 0.00 N ATOM 698 CA ILE A 80 -6.321 -9.436 -9.290 1.00 0.00 C ATOM 699 C ILE A 80 -7.776 -9.860 -9.505 1.00 0.00 C ATOM 700 O ILE A 80 -8.050 -10.812 -10.238 1.00 0.00 O ATOM 701 CB ILE A 80 -5.771 -10.126 -8.017 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.351 -9.638 -7.711 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.784 -11.641 -8.183 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.929 -9.850 -6.271 1.00 0.00 C ATOM 0 H ILE A 80 -5.869 -7.634 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.721 -9.752 -10.143 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.416 -9.862 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.650 -10.156 -8.365 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.283 -8.576 -7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.394 -12.109 -7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.806 -11.979 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.161 -11.919 -9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.913 -9.480 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.606 -9.309 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.963 -10.913 -6.035 1.00 0.00 H new ATOM 716 N ALA A 81 -8.703 -9.145 -8.865 1.00 0.00 N ATOM 717 CA ALA A 81 -10.128 -9.446 -8.986 1.00 0.00 C ATOM 718 C ALA A 81 -10.660 -9.139 -10.388 1.00 0.00 C ATOM 719 O ALA A 81 -11.521 -9.858 -10.897 1.00 0.00 O ATOM 720 CB ALA A 81 -10.925 -8.672 -7.945 1.00 0.00 C ATOM 0 H ALA A 81 -8.491 -8.353 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.250 -10.515 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.984 -8.907 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.587 -8.951 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.775 -7.603 -8.093 1.00 0.00 H new ATOM 726 N THR A 82 -10.157 -8.068 -11.005 1.00 0.00 N ATOM 727 CA THR A 82 -10.605 -7.681 -12.343 1.00 0.00 C ATOM 728 C THR A 82 -10.025 -8.611 -13.411 1.00 0.00 C ATOM 729 O THR A 82 -10.771 -9.311 -14.099 1.00 0.00 O ATOM 730 CB THR A 82 -10.238 -6.221 -12.649 1.00 0.00 C ATOM 731 OG1 THR A 82 -10.399 -5.408 -11.499 1.00 0.00 O ATOM 732 CG2 THR A 82 -11.076 -5.610 -13.754 1.00 0.00 C ATOM 0 H THR A 82 -9.445 -7.458 -10.603 1.00 0.00 H new ATOM 0 HA THR A 82 -11.691 -7.773 -12.363 1.00 0.00 H new ATOM 0 HB THR A 82 -9.197 -6.251 -12.972 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.720 -5.645 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.765 -4.579 -13.919 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.940 -6.181 -14.672 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.127 -5.630 -13.467 1.00 0.00 H new ATOM 740 N ASN A 83 -8.697 -8.614 -13.548 1.00 0.00 N ATOM 741 CA ASN A 83 -8.030 -9.461 -14.539 1.00 0.00 C ATOM 742 C ASN A 83 -6.503 -9.425 -14.394 1.00 0.00 C ATOM 743 O ASN A 83 -5.835 -10.437 -14.618 1.00 0.00 O ATOM 744 CB ASN A 83 -8.433 -9.044 -15.958 1.00 0.00 C ATOM 745 CG ASN A 83 -7.928 -7.664 -16.343 1.00 0.00 C ATOM 746 OD1 ASN A 83 -8.620 -6.627 -15.883 1.00 0.00 O flip ATOM 747 ND2 ASN A 83 -6.929 -7.532 -17.047 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.065 -8.042 -12.988 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.355 -10.486 -14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.048 -9.776 -16.668 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.520 -9.062 -16.040 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.427 -8.355 -17.379 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.602 -6.599 -17.299 1.00 0.00 H new ATOM 754 N ASN A 84 -5.956 -8.261 -14.029 1.00 0.00 N ATOM 755 CA ASN A 84 -4.510 -8.106 -13.863 1.00 0.00 C ATOM 756 C ASN A 84 -4.004 -8.931 -12.686 1.00 0.00 C ATOM 757 O ASN A 84 -3.916 -8.443 -11.558 1.00 0.00 O ATOM 758 CB ASN A 84 -4.150 -6.637 -13.656 1.00 0.00 C ATOM 759 CG ASN A 84 -3.891 -5.910 -14.964 1.00 0.00 C ATOM 760 OD1 ASN A 84 -4.921 -5.795 -15.796 1.00 0.00 O flip ATOM 761 ND2 ASN A 84 -2.777 -5.455 -15.222 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.493 -7.414 -13.843 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.029 -8.467 -14.772 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.960 -6.140 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.264 -6.569 -13.025 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.014 -5.566 -14.554 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.617 -4.967 -16.103 1.00 0.00 H new ATOM 768 N VAL A 85 -3.674 -10.184 -12.965 1.00 0.00 N ATOM 769 CA VAL A 85 -3.173 -11.095 -11.942 1.00 0.00 C ATOM 770 C VAL A 85 -1.733 -11.526 -12.239 1.00 0.00 C ATOM 771 O VAL A 85 -1.285 -12.584 -11.793 1.00 0.00 O ATOM 772 CB VAL A 85 -4.069 -12.346 -11.816 1.00 0.00 C ATOM 773 CG1 VAL A 85 -3.736 -13.114 -10.546 1.00 0.00 C ATOM 774 CG2 VAL A 85 -5.544 -11.961 -11.838 1.00 0.00 C ATOM 0 H VAL A 85 -3.744 -10.596 -13.896 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.192 -10.552 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.874 -12.992 -12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.377 -13.993 -10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.692 -13.428 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.900 -12.473 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.156 -12.859 -11.748 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.758 -11.291 -11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.775 -11.458 -12.777 1.00 0.00 H new ATOM 784 N THR A 86 -1.007 -10.694 -12.984 1.00 0.00 N ATOM 785 CA THR A 86 0.380 -10.982 -13.329 1.00 0.00 C ATOM 786 C THR A 86 1.283 -9.793 -12.968 1.00 0.00 C ATOM 787 O THR A 86 2.291 -9.535 -13.629 1.00 0.00 O ATOM 788 CB THR A 86 0.488 -11.332 -14.821 1.00 0.00 C ATOM 789 OG1 THR A 86 1.827 -11.629 -15.181 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.008 -10.231 -15.740 1.00 0.00 C ATOM 0 H THR A 86 -1.359 -9.814 -13.360 1.00 0.00 H new ATOM 0 HA THR A 86 0.719 -11.842 -12.751 1.00 0.00 H new ATOM 0 HB THR A 86 -0.153 -12.204 -14.952 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.436 -11.038 -14.691 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.098 -10.548 -16.778 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.058 -10.026 -15.529 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.578 -9.327 -15.575 1.00 0.00 H new ATOM 798 N HIS A 87 0.911 -9.076 -11.903 1.00 0.00 N ATOM 799 CA HIS A 87 1.676 -7.918 -11.440 1.00 0.00 C ATOM 800 C HIS A 87 2.023 -8.051 -9.957 1.00 0.00 C ATOM 801 O HIS A 87 1.227 -8.562 -9.170 1.00 0.00 O ATOM 802 CB HIS A 87 0.881 -6.630 -11.677 1.00 0.00 C ATOM 803 CG HIS A 87 1.735 -5.398 -11.755 1.00 0.00 C ATOM 804 ND1 HIS A 87 1.963 -4.713 -12.930 1.00 0.00 N ATOM 805 CD2 HIS A 87 2.410 -4.722 -10.792 1.00 0.00 C ATOM 806 CE1 HIS A 87 2.739 -3.670 -12.688 1.00 0.00 C ATOM 807 NE2 HIS A 87 3.023 -3.654 -11.399 1.00 0.00 N ATOM 0 H HIS A 87 0.082 -9.280 -11.345 1.00 0.00 H new ATOM 0 HA HIS A 87 2.605 -7.875 -12.009 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.315 -6.728 -12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.156 -6.508 -10.872 1.00 0.00 H new ATOM 0 HD1 HIS A 87 1.591 -4.971 -13.844 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.457 -4.976 -9.743 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.082 -2.954 -13.420 1.00 0.00 H new ATOM 816 N LYS A 88 3.215 -7.585 -9.583 1.00 0.00 N ATOM 817 CA LYS A 88 3.666 -7.649 -8.192 1.00 0.00 C ATOM 818 C LYS A 88 4.068 -6.265 -7.682 1.00 0.00 C ATOM 819 O LYS A 88 4.513 -5.415 -8.457 1.00 0.00 O ATOM 820 CB LYS A 88 4.848 -8.615 -8.055 1.00 0.00 C ATOM 821 CG LYS A 88 4.504 -10.062 -8.378 1.00 0.00 C ATOM 822 CD LYS A 88 5.756 -10.899 -8.593 1.00 0.00 C ATOM 823 CE LYS A 88 6.505 -10.472 -9.847 1.00 0.00 C ATOM 824 NZ LYS A 88 7.135 -11.627 -10.548 1.00 0.00 N ATOM 0 H LYS A 88 3.885 -7.159 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 88 2.835 -8.014 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.651 -8.287 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.231 -8.562 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.916 -10.487 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.883 -10.098 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.411 -10.804 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.482 -11.951 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.816 -9.969 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.275 -9.748 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.634 -11.289 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.812 -12.093 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.399 -12.307 -10.828 1.00 0.00 H new ATOM 838 N ILE A 89 3.912 -6.045 -6.375 1.00 0.00 N ATOM 839 CA ILE A 89 4.263 -4.762 -5.765 1.00 0.00 C ATOM 840 C ILE A 89 5.574 -4.862 -4.983 1.00 0.00 C ATOM 841 O ILE A 89 5.608 -5.395 -3.872 1.00 0.00 O ATOM 842 CB ILE A 89 3.152 -4.245 -4.820 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.792 -4.244 -5.529 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.494 -2.846 -4.320 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.647 -3.782 -4.649 1.00 0.00 C ATOM 0 H ILE A 89 3.546 -6.737 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 89 4.380 -4.054 -6.586 1.00 0.00 H new ATOM 0 HB ILE A 89 3.088 -4.916 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.849 -3.598 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.579 -5.251 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.704 -2.494 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.439 -2.874 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.584 -2.168 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.282 -3.808 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.562 -4.442 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.837 -2.764 -4.310 1.00 0.00 H new ATOM 857 N THR A 90 6.648 -4.335 -5.571 1.00 0.00 N ATOM 858 CA THR A 90 7.964 -4.351 -4.931 1.00 0.00 C ATOM 859 C THR A 90 8.142 -3.120 -4.041 1.00 0.00 C ATOM 860 O THR A 90 7.276 -2.245 -4.005 1.00 0.00 O ATOM 861 CB THR A 90 9.076 -4.402 -5.987 1.00 0.00 C ATOM 862 OG1 THR A 90 9.197 -3.157 -6.658 1.00 0.00 O ATOM 863 CG2 THR A 90 8.863 -5.473 -7.038 1.00 0.00 C ATOM 0 H THR A 90 6.633 -3.892 -6.489 1.00 0.00 H new ATOM 0 HA THR A 90 8.030 -5.245 -4.310 1.00 0.00 H new ATOM 0 HB THR A 90 9.983 -4.639 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.913 -3.213 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.687 -5.451 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.824 -6.451 -6.558 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.925 -5.288 -7.561 1.00 0.00 H new ATOM 871 N GLU A 91 9.271 -3.053 -3.330 1.00 0.00 N ATOM 872 CA GLU A 91 9.553 -1.917 -2.446 1.00 0.00 C ATOM 873 C GLU A 91 9.467 -0.593 -3.207 1.00 0.00 C ATOM 874 O GLU A 91 9.002 0.411 -2.666 1.00 0.00 O ATOM 875 CB GLU A 91 10.932 -2.061 -1.790 1.00 0.00 C ATOM 876 CG GLU A 91 12.081 -2.249 -2.772 1.00 0.00 C ATOM 877 CD GLU A 91 13.257 -1.338 -2.474 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.876 -1.499 -1.400 1.00 0.00 O ATOM 879 OE2 GLU A 91 13.559 -0.464 -3.313 1.00 0.00 O ATOM 0 H GLU A 91 10.000 -3.766 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 91 8.795 -1.914 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.128 -1.175 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.910 -2.912 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.413 -3.287 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.724 -2.057 -3.784 1.00 0.00 H new ATOM 886 N ALA A 92 9.903 -0.605 -4.467 1.00 0.00 N ATOM 887 CA ALA A 92 9.862 0.591 -5.305 1.00 0.00 C ATOM 888 C ALA A 92 8.419 0.959 -5.653 1.00 0.00 C ATOM 889 O ALA A 92 8.041 2.130 -5.612 1.00 0.00 O ATOM 890 CB ALA A 92 10.682 0.386 -6.573 1.00 0.00 C ATOM 0 H ALA A 92 10.288 -1.429 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 92 10.299 1.416 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.639 1.288 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.718 0.177 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.276 -0.454 -7.137 1.00 0.00 H new ATOM 896 N GLU A 93 7.616 -0.055 -5.985 1.00 0.00 N ATOM 897 CA GLU A 93 6.210 0.154 -6.332 1.00 0.00 C ATOM 898 C GLU A 93 5.419 0.687 -5.139 1.00 0.00 C ATOM 899 O GLU A 93 4.544 1.536 -5.300 1.00 0.00 O ATOM 900 CB GLU A 93 5.577 -1.151 -6.821 1.00 0.00 C ATOM 901 CG GLU A 93 5.788 -1.420 -8.304 1.00 0.00 C ATOM 902 CD GLU A 93 4.509 -1.308 -9.117 1.00 0.00 C ATOM 903 OE1 GLU A 93 3.464 -1.824 -8.663 1.00 0.00 O ATOM 904 OE2 GLU A 93 4.553 -0.709 -10.211 1.00 0.00 O ATOM 0 H GLU A 93 7.917 -1.029 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 93 6.176 0.894 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.991 -1.981 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.507 -1.124 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.523 -0.716 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.206 -2.419 -8.430 1.00 0.00 H new ATOM 911 N ILE A 94 5.730 0.186 -3.941 1.00 0.00 N ATOM 912 CA ILE A 94 5.032 0.620 -2.732 1.00 0.00 C ATOM 913 C ILE A 94 5.255 2.106 -2.477 1.00 0.00 C ATOM 914 O ILE A 94 4.317 2.827 -2.141 1.00 0.00 O ATOM 915 CB ILE A 94 5.481 -0.172 -1.483 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.342 -1.677 -1.716 1.00 0.00 C ATOM 917 CG2 ILE A 94 4.667 0.250 -0.266 1.00 0.00 C ATOM 918 CD1 ILE A 94 6.392 -2.499 -1.003 1.00 0.00 C ATOM 0 H ILE A 94 6.455 -0.515 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 94 3.973 0.428 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 94 6.532 0.051 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.354 -1.998 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.400 -1.878 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.995 -0.317 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.812 1.315 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.610 0.054 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.231 -3.556 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.382 -2.206 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.320 -2.328 0.071 1.00 0.00 H new ATOM 930 N VAL A 95 6.495 2.561 -2.648 1.00 0.00 N ATOM 931 CA VAL A 95 6.823 3.968 -2.441 1.00 0.00 C ATOM 932 C VAL A 95 5.931 4.858 -3.306 1.00 0.00 C ATOM 933 O VAL A 95 5.357 5.834 -2.820 1.00 0.00 O ATOM 934 CB VAL A 95 8.304 4.264 -2.765 1.00 0.00 C ATOM 935 CG1 VAL A 95 8.636 5.720 -2.474 1.00 0.00 C ATOM 936 CG2 VAL A 95 9.225 3.336 -1.982 1.00 0.00 C ATOM 0 H VAL A 95 7.284 1.979 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 95 6.650 4.186 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 95 8.462 4.082 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.684 5.908 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.006 6.366 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.457 5.930 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.263 3.563 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.064 3.480 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.008 2.301 -2.246 1.00 0.00 H new ATOM 946 N SER A 96 5.808 4.503 -4.586 1.00 0.00 N ATOM 947 CA SER A 96 4.975 5.260 -5.516 1.00 0.00 C ATOM 948 C SER A 96 3.509 5.215 -5.094 1.00 0.00 C ATOM 949 O SER A 96 2.832 6.243 -5.083 1.00 0.00 O ATOM 950 CB SER A 96 5.129 4.718 -6.940 1.00 0.00 C ATOM 951 OG SER A 96 6.483 4.760 -7.358 1.00 0.00 O ATOM 0 H SER A 96 6.275 3.696 -5.000 1.00 0.00 H new ATOM 0 HA SER A 96 5.308 6.298 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.763 3.692 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.516 5.304 -7.624 1.00 0.00 H new ATOM 0 HG SER A 96 6.555 4.407 -8.269 1.00 0.00 H new ATOM 957 N ILE A 97 3.023 4.022 -4.737 1.00 0.00 N ATOM 958 CA ILE A 97 1.635 3.863 -4.305 1.00 0.00 C ATOM 959 C ILE A 97 1.353 4.722 -3.073 1.00 0.00 C ATOM 960 O ILE A 97 0.332 5.406 -3.008 1.00 0.00 O ATOM 961 CB ILE A 97 1.284 2.388 -3.992 1.00 0.00 C ATOM 962 CG1 ILE A 97 1.571 1.496 -5.204 1.00 0.00 C ATOM 963 CG2 ILE A 97 -0.178 2.266 -3.583 1.00 0.00 C ATOM 964 CD1 ILE A 97 1.964 0.082 -4.835 1.00 0.00 C ATOM 0 H ILE A 97 3.567 3.159 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 97 1.009 4.191 -5.135 1.00 0.00 H new ATOM 0 HB ILE A 97 1.909 2.056 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.686 1.464 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.371 1.944 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.409 1.223 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.359 2.870 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.814 2.617 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.152 -0.492 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.867 0.103 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.156 -0.385 -4.271 1.00 0.00 H new ATOM 976 N LEU A 98 2.273 4.696 -2.107 1.00 0.00 N ATOM 977 CA LEU A 98 2.127 5.489 -0.888 1.00 0.00 C ATOM 978 C LEU A 98 2.085 6.982 -1.220 1.00 0.00 C ATOM 979 O LEU A 98 1.283 7.728 -0.658 1.00 0.00 O ATOM 980 CB LEU A 98 3.282 5.210 0.080 1.00 0.00 C ATOM 981 CG LEU A 98 3.384 3.771 0.594 1.00 0.00 C ATOM 982 CD1 LEU A 98 4.823 3.443 0.970 1.00 0.00 C ATOM 983 CD2 LEU A 98 2.458 3.561 1.784 1.00 0.00 C ATOM 0 H LEU A 98 3.124 4.136 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 98 1.189 5.204 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.218 5.466 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.183 5.876 0.937 1.00 0.00 H new ATOM 0 HG LEU A 98 3.073 3.096 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.879 2.417 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.462 3.553 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.159 4.124 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.544 2.533 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.737 4.243 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.429 3.756 1.483 1.00 0.00 H new ATOM 995 N ASN A 99 2.957 7.405 -2.139 1.00 0.00 N ATOM 996 CA ASN A 99 3.027 8.805 -2.555 1.00 0.00 C ATOM 997 C ASN A 99 1.760 9.230 -3.296 1.00 0.00 C ATOM 998 O ASN A 99 1.276 10.348 -3.117 1.00 0.00 O ATOM 999 CB ASN A 99 4.250 9.038 -3.447 1.00 0.00 C ATOM 1000 CG ASN A 99 5.481 9.422 -2.650 1.00 0.00 C ATOM 1001 OD1 ASN A 99 5.807 10.602 -2.521 1.00 0.00 O ATOM 1002 ND2 ASN A 99 6.173 8.426 -2.108 1.00 0.00 N ATOM 0 H ASN A 99 3.625 6.795 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 99 3.117 9.412 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.458 8.133 -4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 99 4.027 9.825 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.010 8.625 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.867 7.462 -2.240 1.00 0.00 H new ATOM 1009 N GLY A 100 1.218 8.328 -4.117 1.00 0.00 N ATOM 1010 CA GLY A 100 0.008 8.633 -4.857 1.00 0.00 C ATOM 1011 C GLY A 100 -1.212 8.609 -3.964 1.00 0.00 C ATOM 1012 O GLY A 100 -2.076 9.481 -4.053 1.00 0.00 O ATOM 0 H GLY A 100 1.597 7.395 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.102 9.616 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.117 7.911 -5.664 1.00 0.00 H new ATOM 1016 N ILE A 101 -1.264 7.611 -3.086 1.00 0.00 N ATOM 1017 CA ILE A 101 -2.364 7.461 -2.144 1.00 0.00 C ATOM 1018 C ILE A 101 -2.465 8.687 -1.231 1.00 0.00 C ATOM 1019 O ILE A 101 -3.562 9.183 -0.962 1.00 0.00 O ATOM 1020 CB ILE A 101 -2.180 6.181 -1.293 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -2.582 4.946 -2.102 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -2.980 6.261 -0.004 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -2.026 3.650 -1.549 1.00 0.00 C ATOM 0 H ILE A 101 -0.548 6.888 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.289 7.374 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.126 6.097 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.670 4.881 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.241 5.069 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.832 5.349 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.645 7.118 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.038 6.374 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.352 2.818 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.937 3.694 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.388 3.504 -0.531 1.00 0.00 H new ATOM 1035 N ALA A 102 -1.313 9.174 -0.768 1.00 0.00 N ATOM 1036 CA ALA A 102 -1.267 10.343 0.105 1.00 0.00 C ATOM 1037 C ALA A 102 -1.641 11.614 -0.657 1.00 0.00 C ATOM 1038 O ALA A 102 -2.441 12.417 -0.177 1.00 0.00 O ATOM 1039 CB ALA A 102 0.114 10.487 0.730 1.00 0.00 C ATOM 0 H ALA A 102 -0.400 8.775 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.998 10.198 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.131 11.363 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.342 9.597 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.859 10.603 -0.057 1.00 0.00 H new ATOM 1045 N LYS A 103 -1.061 11.789 -1.848 1.00 0.00 N ATOM 1046 CA LYS A 103 -1.344 12.964 -2.673 1.00 0.00 C ATOM 1047 C LYS A 103 -2.813 12.993 -3.104 1.00 0.00 C ATOM 1048 O LYS A 103 -3.417 14.062 -3.194 1.00 0.00 O ATOM 1049 CB LYS A 103 -0.431 12.994 -3.904 1.00 0.00 C ATOM 1050 CG LYS A 103 0.051 14.392 -4.271 1.00 0.00 C ATOM 1051 CD LYS A 103 1.477 14.376 -4.802 1.00 0.00 C ATOM 1052 CE LYS A 103 1.551 13.774 -6.198 1.00 0.00 C ATOM 1053 NZ LYS A 103 1.754 12.297 -6.165 1.00 0.00 N ATOM 0 H LYS A 103 -0.396 11.135 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.147 13.850 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.434 12.357 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.966 12.568 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.612 14.820 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.003 15.037 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.869 15.393 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.111 13.804 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.632 14.001 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.368 14.239 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.115 11.975 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.441 12.057 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.848 11.827 -5.965 1.00 0.00 H new ATOM 1067 N GLN A 104 -3.382 11.812 -3.364 1.00 0.00 N ATOM 1068 CA GLN A 104 -4.782 11.703 -3.775 1.00 0.00 C ATOM 1069 C GLN A 104 -5.722 12.148 -2.651 1.00 0.00 C ATOM 1070 O GLN A 104 -6.743 12.788 -2.905 1.00 0.00 O ATOM 1071 CB GLN A 104 -5.110 10.262 -4.186 1.00 0.00 C ATOM 1072 CG GLN A 104 -4.837 9.960 -5.653 1.00 0.00 C ATOM 1073 CD GLN A 104 -5.669 10.810 -6.596 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -5.175 11.777 -7.175 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -6.940 10.453 -6.756 1.00 0.00 N ATOM 0 H GLN A 104 -2.893 10.919 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.930 12.361 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.527 9.578 -3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.161 10.065 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.780 10.124 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.041 8.907 -5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.309 9.644 -6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.546 10.988 -7.378 1.00 0.00 H new