USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 48 GLN :FLIP amide:sc= -0.501! F(o=-13,f=-9.9!) USER MOD Set 1.2: A 94 MET CE :methyl -118:sc= -6.7! (180deg=-14!) USER MOD Set 1.3: A 99 GLN : amide:sc= -2.69! C(o=-9.9!,f=-16!) USER MOD Set 2.1: A 70 MET CE :methyl -171:sc= -0.453 (180deg=-0.506) USER MOD Set 2.2: A 72 GLN :FLIP amide:sc= 0 F(o=-1.2,f=-0.45) USER MOD Single : A 14 HIS : no HD1:sc= -21.9! C(o=-22!,f=-30!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.489 F(o=-2.6,f=-0.49) USER MOD Single : A 19 GLN : amide:sc= -0.231 K(o=-0.23,f=-1) USER MOD Single : A 23 TYR OH : rot 50:sc= -1.24! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0905 K(o=-0.091,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot 90:sc= 0.38 USER MOD Single : A 47 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 50 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.43) USER MOD Single : A 65 SER OG : rot 62:sc= 1.13 USER MOD Single : A 66 GLN : amide:sc= -4.52! C(o=-4.5!,f=-8.7!) USER MOD Single : A 74 TYR OH : rot 104:sc= 0.0644 USER MOD Single : A 79 TYR OH : rot -140:sc= -1.64 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.21) USER MOD Single : A 83 ASN : amide:sc= -0.0908 X(o=-0.091,f=-0.56) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0606 K(o=-0.061,f=-0.64) USER MOD Single : A 90 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -17.5! C(o=-20!,f=-17!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.16 F(o=-4.9!,f=-3.2) USER MOD Single : A 104 LYS NZ :NH3+ -124:sc= -0.0356 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.807 4.019 -7.609 1.00 0.00 N ATOM 106 CA ALA A 10 -5.427 4.286 -7.243 1.00 0.00 C ATOM 107 C ALA A 10 -4.534 3.169 -7.786 1.00 0.00 C ATOM 108 O ALA A 10 -4.937 2.007 -7.819 1.00 0.00 O ATOM 109 CB ALA A 10 -5.322 4.428 -5.722 1.00 0.00 C ATOM 0 HA ALA A 10 -5.087 5.223 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.287 4.628 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.952 5.253 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.652 3.504 -5.247 1.00 0.00 H new ATOM 115 N PRO A 11 -3.306 3.570 -8.211 1.00 0.00 N ATOM 116 CA PRO A 11 -2.353 2.616 -8.753 1.00 0.00 C ATOM 117 C PRO A 11 -1.730 1.770 -7.640 1.00 0.00 C ATOM 118 O PRO A 11 -1.983 2.008 -6.460 1.00 0.00 O ATOM 119 CB PRO A 11 -1.333 3.460 -9.499 1.00 0.00 C ATOM 120 CG PRO A 11 -1.488 4.873 -8.961 1.00 0.00 C ATOM 121 CD PRO A 11 -2.794 4.936 -8.187 1.00 0.00 C ATOM 0 HA PRO A 11 -2.817 1.892 -9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.322 3.088 -9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.512 3.429 -10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.649 5.130 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.493 5.594 -9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.633 5.280 -7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.496 5.630 -8.650 1.00 0.00 H new ATOM 129 N PRO A 12 -0.907 0.775 -8.066 1.00 0.00 N ATOM 130 CA PRO A 12 -0.247 -0.107 -7.120 1.00 0.00 C ATOM 131 C PRO A 12 0.916 0.604 -6.426 1.00 0.00 C ATOM 132 O PRO A 12 2.041 0.593 -6.923 1.00 0.00 O ATOM 133 CB PRO A 12 0.196 -1.306 -7.942 1.00 0.00 C ATOM 134 CG PRO A 12 0.182 -0.845 -9.390 1.00 0.00 C ATOM 135 CD PRO A 12 -0.585 0.464 -9.456 1.00 0.00 C ATOM 0 HA PRO A 12 -0.904 -0.418 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.192 -1.636 -7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.477 -2.151 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.199 -0.710 -9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.289 -1.596 -10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.016 1.253 -9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.488 0.364 -10.059 1.00 0.00 H new ATOM 143 N ASP A 13 0.606 1.208 -5.288 1.00 0.00 N ATOM 144 CA ASP A 13 1.611 1.924 -4.521 1.00 0.00 C ATOM 145 C ASP A 13 2.921 1.134 -4.543 1.00 0.00 C ATOM 146 O ASP A 13 4.002 1.715 -4.465 1.00 0.00 O ATOM 147 CB ASP A 13 1.180 2.084 -3.062 1.00 0.00 C ATOM 148 CG ASP A 13 2.264 2.615 -2.122 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.736 3.752 -2.269 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.629 1.796 -1.194 1.00 0.00 O ATOM 0 H ASP A 13 -0.328 1.216 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 13 1.739 2.909 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.325 2.758 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.840 1.117 -2.691 1.00 0.00 H new ATOM 156 N HIS A 14 2.780 -0.180 -4.648 1.00 0.00 N ATOM 157 CA HIS A 14 3.940 -1.055 -4.681 1.00 0.00 C ATOM 158 C HIS A 14 3.606 -2.318 -5.477 1.00 0.00 C ATOM 159 O HIS A 14 2.469 -2.787 -5.458 1.00 0.00 O ATOM 160 CB HIS A 14 4.431 -1.360 -3.265 1.00 0.00 C ATOM 161 CG HIS A 14 3.881 -2.641 -2.686 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.326 -2.715 -1.421 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.806 -3.898 -3.212 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.938 -3.964 -1.205 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.238 -4.695 -2.317 1.00 0.00 N ATOM 0 H HIS A 14 1.882 -0.659 -4.711 1.00 0.00 H new ATOM 0 HA HIS A 14 4.764 -0.554 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.520 -1.415 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.159 -0.532 -2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.151 -4.194 -4.192 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.468 -4.337 -0.307 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.055 -5.691 -2.440 1.00 0.00 H new ATOM 173 N LEU A 15 4.618 -2.835 -6.158 1.00 0.00 N ATOM 174 CA LEU A 15 4.446 -4.035 -6.960 1.00 0.00 C ATOM 175 C LEU A 15 5.492 -5.074 -6.547 1.00 0.00 C ATOM 176 O LEU A 15 6.587 -4.718 -6.115 1.00 0.00 O ATOM 177 CB LEU A 15 4.475 -3.692 -8.451 1.00 0.00 C ATOM 178 CG LEU A 15 3.234 -2.988 -9.001 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.514 -2.375 -10.374 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.033 -3.936 -9.032 1.00 0.00 C ATOM 0 H LEU A 15 5.560 -2.445 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 15 3.467 -4.478 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.342 -3.059 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.624 -4.614 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 15 2.981 -2.169 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.615 -1.881 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.320 -1.646 -10.290 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.807 -3.161 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.164 -3.410 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.260 -4.791 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.818 -4.284 -8.022 1.00 0.00 H new ATOM 192 N TRP A 16 5.117 -6.336 -6.694 1.00 0.00 N ATOM 193 CA TRP A 16 6.008 -7.427 -6.343 1.00 0.00 C ATOM 194 C TRP A 16 6.012 -8.426 -7.501 1.00 0.00 C ATOM 195 O TRP A 16 5.043 -9.156 -7.700 1.00 0.00 O ATOM 196 CB TRP A 16 5.602 -8.060 -5.010 1.00 0.00 C ATOM 197 CG TRP A 16 5.880 -7.176 -3.791 1.00 0.00 C ATOM 198 CD1 TRP A 16 6.946 -6.397 -3.563 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.030 -7.013 -2.636 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.847 -5.746 -2.351 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.645 -6.132 -1.769 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.784 -7.589 -2.334 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.087 -5.750 -0.543 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.241 -7.197 -1.105 1.00 0.00 C ATOM 205 CH2 TRP A 16 3.846 -6.311 -0.221 1.00 0.00 C ATOM 0 H TRP A 16 4.207 -6.627 -7.052 1.00 0.00 H new ATOM 0 HA TRP A 16 7.024 -7.062 -6.195 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.538 -8.295 -5.040 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.134 -9.004 -4.891 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.778 -6.292 -4.243 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.530 -5.100 -1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.285 -8.279 -2.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.588 -5.059 0.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.285 -7.612 -0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.361 -6.057 0.710 1.00 0.00 H new ATOM 216 N VAL A 17 7.115 -8.428 -8.236 1.00 0.00 N ATOM 217 CA VAL A 17 7.258 -9.324 -9.370 1.00 0.00 C ATOM 218 C VAL A 17 7.296 -10.770 -8.869 1.00 0.00 C ATOM 219 O VAL A 17 8.122 -11.117 -8.027 1.00 0.00 O ATOM 220 CB VAL A 17 8.494 -8.942 -10.187 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.761 -9.549 -9.580 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.334 -9.356 -11.651 1.00 0.00 C ATOM 0 H VAL A 17 7.918 -7.822 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 17 6.402 -9.233 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 17 8.594 -7.857 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.625 -9.262 -10.180 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.888 -9.182 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.673 -10.635 -9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.227 -9.073 -12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.196 -10.436 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.465 -8.855 -12.078 1.00 0.00 H new ATOM 232 N HIS A 18 6.392 -11.573 -9.409 1.00 0.00 N ATOM 233 CA HIS A 18 6.311 -12.973 -9.029 1.00 0.00 C ATOM 234 C HIS A 18 6.696 -13.852 -10.220 1.00 0.00 C ATOM 235 O HIS A 18 7.252 -14.934 -10.043 1.00 0.00 O ATOM 236 CB HIS A 18 4.926 -13.305 -8.469 1.00 0.00 C ATOM 237 CG HIS A 18 4.659 -14.784 -8.329 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.609 -15.774 -9.266 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.403 -15.387 -7.110 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.339 -16.919 -8.653 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.211 -16.682 -7.316 1.00 0.00 N flip ATOM 0 H HIS A 18 5.708 -11.281 -10.107 1.00 0.00 H new ATOM 0 HA HIS A 18 7.021 -13.177 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.817 -12.833 -7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.168 -12.869 -9.120 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.366 -14.887 -6.153 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.237 -17.881 -9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.004 -17.379 -6.601 1.00 0.00 H new ATOM 249 N GLN A 19 6.383 -13.354 -11.407 1.00 0.00 N ATOM 250 CA GLN A 19 6.690 -14.081 -12.628 1.00 0.00 C ATOM 251 C GLN A 19 7.027 -13.105 -13.756 1.00 0.00 C ATOM 252 O GLN A 19 6.683 -11.925 -13.686 1.00 0.00 O ATOM 253 CB GLN A 19 5.533 -14.999 -13.025 1.00 0.00 C ATOM 254 CG GLN A 19 5.697 -16.388 -12.405 1.00 0.00 C ATOM 255 CD GLN A 19 6.237 -17.387 -13.431 1.00 0.00 C ATOM 256 OE1 GLN A 19 5.906 -17.348 -14.605 1.00 0.00 O ATOM 257 NE2 GLN A 19 7.082 -18.280 -12.925 1.00 0.00 N ATOM 0 H GLN A 19 5.920 -12.456 -11.550 1.00 0.00 H new ATOM 0 HA GLN A 19 7.562 -14.709 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.589 -14.561 -12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.488 -15.085 -14.111 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.376 -16.332 -11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.737 -16.736 -12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.316 -18.256 -11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.496 -18.990 -13.529 1.00 0.00 H new ATOM 266 N GLU A 20 7.696 -13.631 -14.771 1.00 0.00 N ATOM 267 CA GLU A 20 8.083 -12.821 -15.914 1.00 0.00 C ATOM 268 C GLU A 20 6.881 -12.028 -16.433 1.00 0.00 C ATOM 269 O GLU A 20 5.952 -12.601 -16.998 1.00 0.00 O ATOM 270 CB GLU A 20 8.686 -13.688 -17.021 1.00 0.00 C ATOM 271 CG GLU A 20 7.741 -14.828 -17.401 1.00 0.00 C ATOM 272 CD GLU A 20 8.490 -15.936 -18.146 1.00 0.00 C ATOM 273 OE1 GLU A 20 9.341 -15.644 -18.999 1.00 0.00 O ATOM 274 OE2 GLU A 20 8.161 -17.137 -17.809 1.00 0.00 O ATOM 0 H GLU A 20 7.980 -14.609 -14.826 1.00 0.00 H new ATOM 0 HA GLU A 20 8.849 -12.115 -15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.891 -13.074 -17.898 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.640 -14.097 -16.688 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.279 -15.237 -16.502 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.936 -14.444 -18.027 1.00 0.00 H new ATOM 282 N GLY A 21 6.940 -10.721 -16.221 1.00 0.00 N ATOM 283 CA GLY A 21 5.868 -9.843 -16.660 1.00 0.00 C ATOM 284 C GLY A 21 4.646 -9.972 -15.749 1.00 0.00 C ATOM 285 O GLY A 21 3.523 -9.697 -16.168 1.00 0.00 O ATOM 0 H GLY A 21 7.713 -10.249 -15.751 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.217 -8.810 -16.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.589 -10.088 -17.685 1.00 0.00 H new ATOM 289 N ILE A 22 4.906 -10.390 -14.519 1.00 0.00 N ATOM 290 CA ILE A 22 3.841 -10.559 -13.544 1.00 0.00 C ATOM 291 C ILE A 22 4.231 -9.856 -12.242 1.00 0.00 C ATOM 292 O ILE A 22 5.332 -10.052 -11.732 1.00 0.00 O ATOM 293 CB ILE A 22 3.507 -12.041 -13.367 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.741 -12.578 -14.577 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.753 -12.280 -12.058 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.703 -13.044 -15.672 1.00 0.00 C ATOM 0 H ILE A 22 5.839 -10.617 -14.175 1.00 0.00 H new ATOM 0 HA ILE A 22 2.923 -10.089 -13.897 1.00 0.00 H new ATOM 0 HB ILE A 22 4.442 -12.598 -13.306 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.104 -13.408 -14.270 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.085 -11.802 -14.971 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.528 -13.342 -11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.370 -11.958 -11.219 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.823 -11.711 -12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.133 -13.421 -16.521 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.321 -12.206 -15.994 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.341 -13.837 -15.282 1.00 0.00 H new ATOM 308 N TYR A 23 3.305 -9.051 -11.742 1.00 0.00 N ATOM 309 CA TYR A 23 3.537 -8.318 -10.509 1.00 0.00 C ATOM 310 C TYR A 23 2.334 -8.427 -9.570 1.00 0.00 C ATOM 311 O TYR A 23 1.208 -8.630 -10.021 1.00 0.00 O ATOM 312 CB TYR A 23 3.721 -6.855 -10.915 1.00 0.00 C ATOM 313 CG TYR A 23 5.169 -6.471 -11.221 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.045 -6.203 -10.189 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.601 -6.391 -12.530 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.409 -5.840 -10.476 1.00 0.00 C ATOM 317 CE2 TYR A 23 6.964 -6.030 -12.817 1.00 0.00 C ATOM 318 CZ TYR A 23 7.801 -5.772 -11.777 1.00 0.00 C ATOM 319 OH TYR A 23 9.089 -5.430 -12.049 1.00 0.00 O ATOM 0 H TYR A 23 2.392 -8.890 -12.168 1.00 0.00 H new ATOM 0 HA TYR A 23 4.404 -8.718 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.109 -6.653 -11.794 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.348 -6.217 -10.114 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.707 -6.266 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.916 -6.599 -13.338 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.104 -5.627 -9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.315 -5.965 -13.836 1.00 0.00 H new ATOM 0 HH TYR A 23 9.694 -5.978 -11.507 1.00 0.00 H new ATOM 329 N ARG A 24 2.613 -8.290 -8.283 1.00 0.00 N ATOM 330 CA ARG A 24 1.567 -8.370 -7.277 1.00 0.00 C ATOM 331 C ARG A 24 1.347 -7.002 -6.629 1.00 0.00 C ATOM 332 O ARG A 24 2.304 -6.341 -6.227 1.00 0.00 O ATOM 333 CB ARG A 24 1.922 -9.390 -6.194 1.00 0.00 C ATOM 334 CG ARG A 24 0.773 -10.376 -5.971 1.00 0.00 C ATOM 335 CD ARG A 24 1.304 -11.785 -5.701 1.00 0.00 C ATOM 336 NE ARG A 24 2.308 -11.749 -4.616 1.00 0.00 N ATOM 337 CZ ARG A 24 2.653 -12.818 -3.867 1.00 0.00 C ATOM 338 NH1 ARG A 24 2.076 -14.019 -4.081 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.563 -12.671 -2.922 1.00 0.00 N ATOM 0 H ARG A 24 3.549 -8.124 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 24 0.652 -8.690 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.822 -9.934 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.148 -8.872 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.164 -10.046 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.125 -10.389 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.482 -12.445 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.751 -12.194 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 24 2.769 -10.860 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.374 -14.124 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.342 -14.822 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.994 -11.760 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.835 -13.469 -2.347 1.00 0.00 H new ATOM 352 N ASP A 25 0.083 -6.617 -6.547 1.00 0.00 N ATOM 353 CA ASP A 25 -0.274 -5.341 -5.953 1.00 0.00 C ATOM 354 C ASP A 25 -0.267 -5.472 -4.428 1.00 0.00 C ATOM 355 O ASP A 25 -0.045 -6.559 -3.897 1.00 0.00 O ATOM 356 CB ASP A 25 -1.677 -4.906 -6.383 1.00 0.00 C ATOM 357 CG ASP A 25 -1.924 -3.397 -6.354 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.811 -2.880 -7.051 1.00 0.00 O ATOM 359 OD2 ASP A 25 -1.149 -2.732 -5.565 1.00 0.00 O ATOM 0 H ASP A 25 -0.708 -7.167 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 25 0.452 -4.600 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.860 -5.269 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.406 -5.391 -5.734 1.00 0.00 H new ATOM 365 N GLU A 26 -0.512 -4.349 -3.769 1.00 0.00 N ATOM 366 CA GLU A 26 -0.536 -4.325 -2.316 1.00 0.00 C ATOM 367 C GLU A 26 -1.956 -4.578 -1.805 1.00 0.00 C ATOM 368 O GLU A 26 -2.301 -4.176 -0.694 1.00 0.00 O ATOM 369 CB GLU A 26 0.012 -3.002 -1.780 1.00 0.00 C ATOM 370 CG GLU A 26 -0.023 -2.972 -0.251 1.00 0.00 C ATOM 371 CD GLU A 26 1.111 -2.109 0.307 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.909 -2.588 1.127 1.00 0.00 O ATOM 373 OE2 GLU A 26 1.148 -0.901 -0.142 1.00 0.00 O ATOM 0 H GLU A 26 -0.696 -3.450 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 26 0.109 -5.123 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.036 -2.862 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.575 -2.174 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.983 -2.580 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.062 -3.987 0.138 1.00 0.00 H new ATOM 381 N TYR A 27 -2.741 -5.242 -2.640 1.00 0.00 N ATOM 382 CA TYR A 27 -4.117 -5.551 -2.286 1.00 0.00 C ATOM 383 C TYR A 27 -4.571 -6.857 -2.942 1.00 0.00 C ATOM 384 O TYR A 27 -5.757 -7.043 -3.208 1.00 0.00 O ATOM 385 CB TYR A 27 -4.962 -4.400 -2.833 1.00 0.00 C ATOM 386 CG TYR A 27 -5.107 -3.222 -1.868 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.929 -3.332 -0.764 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.418 -2.049 -2.100 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.066 -2.223 0.145 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.554 -0.941 -1.192 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.372 -1.082 -0.114 1.00 0.00 C ATOM 392 OH TYR A 27 -5.501 -0.036 0.744 1.00 0.00 O ATOM 0 H TYR A 27 -2.452 -5.575 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.219 -5.668 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.515 -4.043 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.954 -4.777 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.469 -4.249 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.776 -1.963 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.705 -2.296 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.019 -0.018 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.947 0.711 0.435 1.00 0.00 H new ATOM 402 N GLN A 28 -3.602 -7.729 -3.185 1.00 0.00 N ATOM 403 CA GLN A 28 -3.886 -9.011 -3.805 1.00 0.00 C ATOM 404 C GLN A 28 -4.329 -8.812 -5.256 1.00 0.00 C ATOM 405 O GLN A 28 -5.242 -9.487 -5.728 1.00 0.00 O ATOM 406 CB GLN A 28 -4.943 -9.781 -3.011 1.00 0.00 C ATOM 407 CG GLN A 28 -4.296 -10.864 -2.146 1.00 0.00 C ATOM 408 CD GLN A 28 -3.973 -12.109 -2.975 1.00 0.00 C ATOM 409 OE1 GLN A 28 -3.388 -12.040 -4.043 1.00 0.00 O ATOM 410 NE2 GLN A 28 -4.386 -13.248 -2.426 1.00 0.00 N ATOM 0 H GLN A 28 -2.619 -7.572 -2.963 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.972 -9.605 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.502 -9.091 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.658 -10.236 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.383 -10.476 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.967 -11.131 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.870 -13.235 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.218 -14.134 -2.903 1.00 0.00 H new ATOM 419 N ARG A 29 -3.660 -7.883 -5.923 1.00 0.00 N ATOM 420 CA ARG A 29 -3.972 -7.589 -7.312 1.00 0.00 C ATOM 421 C ARG A 29 -2.782 -7.937 -8.208 1.00 0.00 C ATOM 422 O ARG A 29 -1.722 -7.321 -8.105 1.00 0.00 O ATOM 423 CB ARG A 29 -4.324 -6.111 -7.496 1.00 0.00 C ATOM 424 CG ARG A 29 -5.766 -5.948 -7.983 1.00 0.00 C ATOM 425 CD ARG A 29 -6.572 -5.066 -7.028 1.00 0.00 C ATOM 426 NE ARG A 29 -7.435 -4.144 -7.798 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.227 -3.203 -7.240 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.270 -3.053 -5.899 1.00 0.00 N ATOM 429 NH2 ARG A 29 -8.957 -2.433 -8.024 1.00 0.00 N ATOM 0 H ARG A 29 -2.904 -7.324 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.833 -8.194 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.193 -5.582 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.640 -5.657 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.769 -5.508 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.238 -6.927 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.183 -5.688 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.897 -4.497 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.432 -4.224 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.702 -3.652 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.870 -2.340 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.918 -2.553 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.560 -1.718 -7.618 1.00 0.00 H new ATOM 442 N THR A 30 -2.997 -8.922 -9.067 1.00 0.00 N ATOM 443 CA THR A 30 -1.956 -9.359 -9.981 1.00 0.00 C ATOM 444 C THR A 30 -1.860 -8.407 -11.175 1.00 0.00 C ATOM 445 O THR A 30 -2.877 -7.935 -11.680 1.00 0.00 O ATOM 446 CB THR A 30 -2.254 -10.806 -10.381 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.659 -10.820 -10.611 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.056 -11.785 -9.222 1.00 0.00 C ATOM 0 H THR A 30 -3.878 -9.430 -9.149 1.00 0.00 H new ATOM 0 HA THR A 30 -0.976 -9.333 -9.505 1.00 0.00 H new ATOM 0 HB THR A 30 -1.611 -11.093 -11.213 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.839 -10.613 -11.552 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.280 -12.797 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.023 -11.737 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.724 -11.519 -8.403 1.00 0.00 H new ATOM 456 N TRP A 31 -0.628 -8.153 -11.590 1.00 0.00 N ATOM 457 CA TRP A 31 -0.385 -7.266 -12.716 1.00 0.00 C ATOM 458 C TRP A 31 0.404 -8.044 -13.770 1.00 0.00 C ATOM 459 O TRP A 31 1.087 -9.016 -13.448 1.00 0.00 O ATOM 460 CB TRP A 31 0.322 -5.987 -12.263 1.00 0.00 C ATOM 461 CG TRP A 31 -0.563 -5.042 -11.446 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.972 -5.186 -10.179 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.133 -3.795 -11.896 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.762 -4.127 -9.780 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.863 -3.254 -10.857 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.036 -3.145 -13.139 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.552 -2.039 -10.955 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.730 -1.933 -13.221 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.469 -1.375 -12.184 1.00 0.00 C ATOM 0 H TRP A 31 0.213 -8.546 -11.167 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.326 -6.938 -13.158 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.194 -6.258 -11.667 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.689 -5.456 -13.142 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.716 -6.025 -9.549 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.193 -4.007 -8.863 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.470 -3.549 -13.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.117 -1.636 -10.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.689 -1.393 -14.155 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.977 -0.433 -12.326 1.00 0.00 H new ATOM 480 N VAL A 32 0.286 -7.588 -15.008 1.00 0.00 N ATOM 481 CA VAL A 32 0.980 -8.229 -16.111 1.00 0.00 C ATOM 482 C VAL A 32 1.927 -7.222 -16.767 1.00 0.00 C ATOM 483 O VAL A 32 1.520 -6.463 -17.645 1.00 0.00 O ATOM 484 CB VAL A 32 -0.032 -8.824 -17.093 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.515 -8.811 -18.521 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.437 -10.239 -16.673 1.00 0.00 C ATOM 0 H VAL A 32 -0.280 -6.782 -15.272 1.00 0.00 H new ATOM 0 HA VAL A 32 1.587 -9.058 -15.748 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.925 -8.200 -17.072 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.224 -9.239 -19.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.729 -7.785 -18.819 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.431 -9.400 -18.565 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.157 -10.639 -17.387 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.445 -10.878 -16.651 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.889 -10.209 -15.681 1.00 0.00 H new ATOM 496 N ALA A 33 3.172 -7.248 -16.316 1.00 0.00 N ATOM 497 CA ALA A 33 4.180 -6.346 -16.846 1.00 0.00 C ATOM 498 C ALA A 33 4.635 -6.847 -18.218 1.00 0.00 C ATOM 499 O ALA A 33 5.203 -7.933 -18.329 1.00 0.00 O ATOM 500 CB ALA A 33 5.338 -6.232 -15.852 1.00 0.00 C ATOM 0 H ALA A 33 3.506 -7.880 -15.589 1.00 0.00 H new ATOM 0 HA ALA A 33 3.768 -5.346 -16.980 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.094 -5.555 -16.250 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.967 -5.844 -14.904 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.779 -7.216 -15.693 1.00 0.00 H new ATOM 506 N VAL A 34 4.370 -6.033 -19.228 1.00 0.00 N ATOM 507 CA VAL A 34 4.746 -6.380 -20.588 1.00 0.00 C ATOM 508 C VAL A 34 5.935 -5.521 -21.020 1.00 0.00 C ATOM 509 O VAL A 34 5.755 -4.429 -21.557 1.00 0.00 O ATOM 510 CB VAL A 34 3.538 -6.239 -21.517 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.785 -6.948 -22.850 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.266 -6.760 -20.846 1.00 0.00 C ATOM 0 H VAL A 34 3.899 -5.133 -19.132 1.00 0.00 H new ATOM 0 HA VAL A 34 5.062 -7.422 -20.642 1.00 0.00 H new ATOM 0 HB VAL A 34 3.397 -5.178 -21.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.911 -6.832 -23.491 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.655 -6.510 -23.339 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.965 -8.008 -22.670 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.423 -6.648 -21.528 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.392 -7.813 -20.595 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.075 -6.191 -19.936 1.00 0.00 H new ATOM 522 N VAL A 35 7.126 -6.046 -20.768 1.00 0.00 N ATOM 523 CA VAL A 35 8.345 -5.341 -21.124 1.00 0.00 C ATOM 524 C VAL A 35 8.430 -5.213 -22.646 1.00 0.00 C ATOM 525 O VAL A 35 8.561 -6.212 -23.351 1.00 0.00 O ATOM 526 CB VAL A 35 9.556 -6.050 -20.516 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.582 -7.529 -20.913 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.858 -5.354 -20.916 1.00 0.00 C ATOM 0 H VAL A 35 7.272 -6.951 -20.321 1.00 0.00 H new ATOM 0 HA VAL A 35 8.335 -4.331 -20.713 1.00 0.00 H new ATOM 0 HB VAL A 35 9.466 -5.994 -19.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.453 -8.010 -20.468 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.675 -8.018 -20.556 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.636 -7.613 -21.998 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.703 -5.879 -20.470 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.957 -5.363 -22.001 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.843 -4.323 -20.562 1.00 0.00 H new ATOM 538 N GLU A 36 8.348 -3.974 -23.109 1.00 0.00 N ATOM 539 CA GLU A 36 8.414 -3.701 -24.535 1.00 0.00 C ATOM 540 C GLU A 36 9.233 -2.436 -24.797 1.00 0.00 C ATOM 541 O GLU A 36 8.699 -1.328 -24.763 1.00 0.00 O ATOM 542 CB GLU A 36 7.010 -3.580 -25.134 1.00 0.00 C ATOM 543 CG GLU A 36 6.797 -4.612 -26.244 1.00 0.00 C ATOM 544 CD GLU A 36 7.571 -4.227 -27.506 1.00 0.00 C ATOM 545 OE1 GLU A 36 7.597 -3.046 -27.881 1.00 0.00 O ATOM 546 OE2 GLU A 36 8.160 -5.207 -28.104 1.00 0.00 O ATOM 0 H GLU A 36 8.236 -3.148 -22.522 1.00 0.00 H new ATOM 0 HA GLU A 36 8.912 -4.539 -25.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.264 -3.722 -24.352 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.866 -2.576 -25.533 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.121 -5.594 -25.900 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.734 -4.690 -26.474 1.00 0.00 H new ATOM 611 N PHE A 41 14.386 3.080 -25.373 1.00 0.00 N ATOM 612 CA PHE A 41 14.054 3.279 -23.973 1.00 0.00 C ATOM 613 C PHE A 41 13.489 1.998 -23.356 1.00 0.00 C ATOM 614 O PHE A 41 13.485 0.947 -23.995 1.00 0.00 O ATOM 615 CB PHE A 41 12.986 4.373 -23.918 1.00 0.00 C ATOM 616 CG PHE A 41 13.537 5.791 -24.083 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.616 6.190 -23.357 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.949 6.652 -24.956 1.00 0.00 C ATOM 619 CE1 PHE A 41 15.127 7.505 -23.510 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.460 7.968 -25.109 1.00 0.00 C ATOM 621 CZ PHE A 41 14.539 8.367 -24.383 1.00 0.00 C ATOM 0 HA PHE A 41 14.948 3.555 -23.414 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.250 4.187 -24.700 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.462 4.307 -22.965 1.00 0.00 H new ATOM 0 HD1 PHE A 41 15.084 5.506 -22.664 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.093 6.335 -25.533 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.983 7.822 -22.933 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.992 8.652 -25.802 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.929 9.367 -24.500 1.00 0.00 H new ATOM 631 N LEU A 42 13.026 2.129 -22.122 1.00 0.00 N ATOM 632 CA LEU A 42 12.459 0.995 -21.411 1.00 0.00 C ATOM 633 C LEU A 42 10.981 1.266 -21.122 1.00 0.00 C ATOM 634 O LEU A 42 10.608 2.387 -20.779 1.00 0.00 O ATOM 635 CB LEU A 42 13.283 0.680 -20.162 1.00 0.00 C ATOM 636 CG LEU A 42 14.598 -0.067 -20.396 1.00 0.00 C ATOM 637 CD1 LEU A 42 15.395 -0.194 -19.097 1.00 0.00 C ATOM 638 CD2 LEU A 42 14.347 -1.427 -21.050 1.00 0.00 C ATOM 0 H LEU A 42 13.032 3.003 -21.596 1.00 0.00 H new ATOM 0 HA LEU A 42 12.503 0.098 -22.028 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.506 1.617 -19.653 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.667 0.088 -19.485 1.00 0.00 H new ATOM 0 HG LEU A 42 15.204 0.517 -21.089 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.325 -0.729 -19.291 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.622 0.800 -18.711 1.00 0.00 H new ATOM 0 HD13 LEU A 42 14.807 -0.744 -18.362 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.298 -1.937 -21.205 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.713 -2.031 -20.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.851 -1.283 -22.010 1.00 0.00 H new ATOM 650 N ARG A 43 10.181 0.221 -21.269 1.00 0.00 N ATOM 651 CA ARG A 43 8.752 0.333 -21.029 1.00 0.00 C ATOM 652 C ARG A 43 8.195 -0.996 -20.516 1.00 0.00 C ATOM 653 O ARG A 43 8.264 -2.010 -21.208 1.00 0.00 O ATOM 654 CB ARG A 43 8.008 0.733 -22.304 1.00 0.00 C ATOM 655 CG ARG A 43 6.499 0.540 -22.142 1.00 0.00 C ATOM 656 CD ARG A 43 5.728 1.724 -22.729 1.00 0.00 C ATOM 657 NE ARG A 43 5.625 1.582 -24.198 1.00 0.00 N ATOM 658 CZ ARG A 43 4.712 2.226 -24.958 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.817 3.062 -24.392 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.709 2.025 -26.263 1.00 0.00 N ATOM 0 H ARG A 43 10.495 -0.708 -21.551 1.00 0.00 H new ATOM 0 HA ARG A 43 8.602 1.108 -20.278 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.221 1.775 -22.542 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.367 0.135 -23.142 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.191 -0.381 -22.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.254 0.430 -21.086 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.732 1.774 -22.289 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.233 2.657 -22.480 1.00 0.00 H new ATOM 0 HE ARG A 43 6.284 0.960 -24.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.826 3.212 -23.383 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.131 3.544 -24.973 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.389 1.391 -26.683 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.027 2.503 -26.851 1.00 0.00 H new ATOM 673 N ALA A 44 7.654 -0.948 -19.307 1.00 0.00 N ATOM 674 CA ALA A 44 7.085 -2.136 -18.694 1.00 0.00 C ATOM 675 C ALA A 44 5.586 -1.924 -18.475 1.00 0.00 C ATOM 676 O ALA A 44 5.165 -1.503 -17.398 1.00 0.00 O ATOM 677 CB ALA A 44 7.826 -2.443 -17.391 1.00 0.00 C ATOM 0 H ALA A 44 7.598 -0.105 -18.736 1.00 0.00 H new ATOM 0 HA ALA A 44 7.204 -2.999 -19.349 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.399 -3.334 -16.931 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.881 -2.615 -17.604 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.726 -1.599 -16.708 1.00 0.00 H new ATOM 683 N ARG A 45 4.821 -2.223 -19.514 1.00 0.00 N ATOM 684 CA ARG A 45 3.377 -2.070 -19.449 1.00 0.00 C ATOM 685 C ARG A 45 2.788 -3.031 -18.414 1.00 0.00 C ATOM 686 O ARG A 45 2.758 -4.242 -18.631 1.00 0.00 O ATOM 687 CB ARG A 45 2.732 -2.341 -20.810 1.00 0.00 C ATOM 688 CG ARG A 45 1.263 -1.914 -20.816 1.00 0.00 C ATOM 689 CD ARG A 45 0.379 -3.000 -21.431 1.00 0.00 C ATOM 690 NE ARG A 45 1.092 -3.662 -22.546 1.00 0.00 N ATOM 691 CZ ARG A 45 1.148 -3.174 -23.803 1.00 0.00 C ATOM 692 NH1 ARG A 45 0.534 -2.014 -24.116 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.814 -3.848 -24.721 1.00 0.00 N ATOM 0 H ARG A 45 5.173 -2.570 -20.406 1.00 0.00 H new ATOM 0 HA ARG A 45 3.166 -1.041 -19.158 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.274 -1.802 -21.587 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.807 -3.402 -21.047 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.936 -1.708 -19.797 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.152 -0.988 -21.379 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.111 -3.735 -20.672 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.551 -2.562 -21.793 1.00 0.00 H new ATOM 0 HE ARG A 45 1.571 -4.542 -22.353 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.022 -1.498 -23.400 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.582 -1.653 -25.069 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.276 -4.723 -24.476 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.866 -3.494 -25.676 1.00 0.00 H new ATOM 706 N VAL A 46 2.335 -2.456 -17.309 1.00 0.00 N ATOM 707 CA VAL A 46 1.749 -3.246 -16.240 1.00 0.00 C ATOM 708 C VAL A 46 0.228 -3.261 -16.398 1.00 0.00 C ATOM 709 O VAL A 46 -0.431 -2.240 -16.206 1.00 0.00 O ATOM 710 CB VAL A 46 2.204 -2.707 -14.882 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.270 -3.827 -13.843 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.549 -1.988 -15.001 1.00 0.00 C ATOM 0 H VAL A 46 2.362 -1.452 -17.131 1.00 0.00 H new ATOM 0 HA VAL A 46 2.092 -4.279 -16.296 1.00 0.00 H new ATOM 0 HB VAL A 46 1.465 -1.980 -14.544 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.596 -3.418 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.283 -4.275 -13.728 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.978 -4.587 -14.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.850 -1.615 -14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.302 -2.684 -15.371 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.455 -1.153 -15.695 1.00 0.00 H new ATOM 722 N GLN A 47 -0.288 -4.431 -16.747 1.00 0.00 N ATOM 723 CA GLN A 47 -1.719 -4.592 -16.933 1.00 0.00 C ATOM 724 C GLN A 47 -2.304 -5.466 -15.820 1.00 0.00 C ATOM 725 O GLN A 47 -1.816 -6.567 -15.569 1.00 0.00 O ATOM 726 CB GLN A 47 -2.031 -5.180 -18.311 1.00 0.00 C ATOM 727 CG GLN A 47 -3.420 -5.819 -18.333 1.00 0.00 C ATOM 728 CD GLN A 47 -4.118 -5.569 -19.672 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.515 -6.483 -20.376 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.244 -4.282 -19.985 1.00 0.00 N ATOM 0 H GLN A 47 0.260 -5.276 -16.906 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.185 -3.608 -16.880 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.976 -4.396 -19.066 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.280 -5.926 -18.571 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.334 -6.891 -18.159 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.024 -5.412 -17.522 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.890 -3.566 -19.351 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.695 -4.011 -20.859 1.00 0.00 H new ATOM 739 N GLN A 48 -3.341 -4.942 -15.184 1.00 0.00 N ATOM 740 CA GLN A 48 -3.997 -5.660 -14.105 1.00 0.00 C ATOM 741 C GLN A 48 -5.110 -6.552 -14.660 1.00 0.00 C ATOM 742 O GLN A 48 -6.061 -6.059 -15.265 1.00 0.00 O ATOM 743 CB GLN A 48 -4.543 -4.692 -13.054 1.00 0.00 C ATOM 744 CG GLN A 48 -5.104 -5.449 -11.848 1.00 0.00 C ATOM 745 CD GLN A 48 -6.633 -5.506 -11.901 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.114 -6.597 -12.488 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -7.328 -4.618 -11.437 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.743 -4.029 -15.395 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.258 -6.296 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.750 -4.019 -12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.325 -4.074 -13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.699 -6.461 -11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.786 -4.960 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.893 -3.806 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.344 -4.687 -11.487 1.00 0.00 H new ATOM 756 N ILE A 49 -4.955 -7.848 -14.433 1.00 0.00 N ATOM 757 CA ILE A 49 -5.934 -8.812 -14.905 1.00 0.00 C ATOM 758 C ILE A 49 -5.879 -10.062 -14.023 1.00 0.00 C ATOM 759 O ILE A 49 -4.882 -10.303 -13.344 1.00 0.00 O ATOM 760 CB ILE A 49 -5.729 -9.101 -16.393 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.491 -9.972 -16.617 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.669 -7.803 -17.200 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.208 -9.168 -16.398 1.00 0.00 C ATOM 0 H ILE A 49 -4.166 -8.253 -13.929 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.941 -8.404 -14.819 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.589 -9.665 -16.753 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.512 -10.822 -15.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.504 -10.375 -17.630 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.523 -8.037 -18.255 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.602 -7.254 -17.076 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.839 -7.192 -16.845 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.343 -9.811 -16.563 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.178 -8.332 -17.097 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.187 -8.787 -15.377 1.00 0.00 H new ATOM 775 N GLN A 50 -6.962 -10.823 -14.062 1.00 0.00 N ATOM 776 CA GLN A 50 -7.049 -12.042 -13.276 1.00 0.00 C ATOM 777 C GLN A 50 -6.091 -13.100 -13.828 1.00 0.00 C ATOM 778 O GLN A 50 -6.268 -13.579 -14.946 1.00 0.00 O ATOM 779 CB GLN A 50 -8.484 -12.569 -13.238 1.00 0.00 C ATOM 780 CG GLN A 50 -9.429 -11.545 -12.605 1.00 0.00 C ATOM 781 CD GLN A 50 -8.944 -11.142 -11.211 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.274 -11.756 -10.209 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.146 -10.078 -11.201 1.00 0.00 N ATOM 0 H GLN A 50 -7.787 -10.619 -14.626 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.754 -11.812 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.817 -12.799 -14.250 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.518 -13.500 -12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.494 -10.662 -13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.433 -11.964 -12.538 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.909 -9.610 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.771 -9.730 -10.319 1.00 0.00 H new ATOM 792 N VAL A 51 -5.096 -13.432 -13.017 1.00 0.00 N ATOM 793 CA VAL A 51 -4.111 -14.425 -13.411 1.00 0.00 C ATOM 794 C VAL A 51 -3.621 -15.170 -12.168 1.00 0.00 C ATOM 795 O VAL A 51 -3.416 -14.565 -11.117 1.00 0.00 O ATOM 796 CB VAL A 51 -2.978 -13.756 -14.192 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.171 -12.818 -13.293 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.073 -14.802 -14.847 1.00 0.00 C ATOM 0 H VAL A 51 -4.951 -13.031 -12.090 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.557 -15.163 -14.078 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.426 -13.156 -14.984 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.372 -12.356 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.826 -12.043 -12.895 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.739 -13.386 -12.469 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.276 -14.301 -15.396 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.638 -15.440 -14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.660 -15.411 -15.535 1.00 0.00 H new ATOM 998 N SER A 65 15.069 -9.548 -17.041 1.00 0.00 N ATOM 999 CA SER A 65 16.299 -8.970 -16.527 1.00 0.00 C ATOM 1000 C SER A 65 16.307 -7.458 -16.766 1.00 0.00 C ATOM 1001 O SER A 65 17.334 -6.889 -17.127 1.00 0.00 O ATOM 1002 CB SER A 65 17.524 -9.616 -17.176 1.00 0.00 C ATOM 1003 OG SER A 65 17.940 -8.916 -18.346 1.00 0.00 O ATOM 0 HA SER A 65 16.345 -9.162 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.344 -9.641 -16.458 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.295 -10.650 -17.434 1.00 0.00 H new ATOM 0 HG SER A 65 18.192 -8.000 -18.107 1.00 0.00 H new ATOM 1009 N GLN A 66 15.147 -6.852 -16.554 1.00 0.00 N ATOM 1010 CA GLN A 66 15.007 -5.418 -16.741 1.00 0.00 C ATOM 1011 C GLN A 66 14.158 -4.816 -15.620 1.00 0.00 C ATOM 1012 O GLN A 66 14.609 -3.924 -14.905 1.00 0.00 O ATOM 1013 CB GLN A 66 14.410 -5.100 -18.114 1.00 0.00 C ATOM 1014 CG GLN A 66 15.344 -5.553 -19.237 1.00 0.00 C ATOM 1015 CD GLN A 66 14.601 -6.431 -20.248 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.387 -6.546 -20.233 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.397 -7.039 -21.122 1.00 0.00 N ATOM 0 H GLN A 66 14.296 -7.328 -16.255 1.00 0.00 H new ATOM 0 HA GLN A 66 15.999 -4.967 -16.700 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.444 -5.595 -18.218 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.230 -4.028 -18.197 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.760 -4.682 -19.743 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.183 -6.107 -18.816 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.406 -6.898 -21.077 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.999 -7.647 -21.838 1.00 0.00 H new ATOM 1026 N LEU A 67 12.942 -5.330 -15.502 1.00 0.00 N ATOM 1027 CA LEU A 67 12.024 -4.855 -14.480 1.00 0.00 C ATOM 1028 C LEU A 67 12.566 -5.233 -13.100 1.00 0.00 C ATOM 1029 O LEU A 67 13.167 -6.294 -12.934 1.00 0.00 O ATOM 1030 CB LEU A 67 10.610 -5.371 -14.749 1.00 0.00 C ATOM 1031 CG LEU A 67 9.940 -4.858 -16.025 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.852 -5.051 -17.238 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.572 -5.513 -16.227 1.00 0.00 C ATOM 0 H LEU A 67 12.571 -6.071 -16.097 1.00 0.00 H new ATOM 0 HA LEU A 67 11.951 -3.768 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.644 -6.460 -14.793 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.980 -5.106 -13.900 1.00 0.00 H new ATOM 0 HG LEU A 67 9.771 -3.787 -15.916 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.352 -4.678 -18.132 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.781 -4.501 -17.086 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.074 -6.111 -17.362 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.117 -5.131 -17.141 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.694 -6.593 -16.306 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.929 -5.282 -15.378 1.00 0.00 H new ATOM 1045 N PRO A 68 12.328 -4.321 -12.120 1.00 0.00 N ATOM 1046 CA PRO A 68 12.785 -4.549 -10.759 1.00 0.00 C ATOM 1047 C PRO A 68 11.910 -5.586 -10.054 1.00 0.00 C ATOM 1048 O PRO A 68 10.840 -5.941 -10.547 1.00 0.00 O ATOM 1049 CB PRO A 68 12.737 -3.182 -10.095 1.00 0.00 C ATOM 1050 CG PRO A 68 11.821 -2.330 -10.959 1.00 0.00 C ATOM 1051 CD PRO A 68 11.620 -3.054 -12.280 1.00 0.00 C ATOM 0 HA PRO A 68 13.792 -4.963 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.356 -3.256 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.733 -2.744 -10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.864 -2.172 -10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.260 -1.346 -11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.562 -3.215 -12.486 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.023 -2.478 -13.113 1.00 0.00 H new ATOM 1059 N LEU A 69 12.397 -6.045 -8.910 1.00 0.00 N ATOM 1060 CA LEU A 69 11.673 -7.035 -8.131 1.00 0.00 C ATOM 1061 C LEU A 69 10.436 -6.383 -7.510 1.00 0.00 C ATOM 1062 O LEU A 69 9.367 -6.989 -7.464 1.00 0.00 O ATOM 1063 CB LEU A 69 12.599 -7.696 -7.108 1.00 0.00 C ATOM 1064 CG LEU A 69 12.189 -9.090 -6.633 1.00 0.00 C ATOM 1065 CD1 LEU A 69 10.853 -9.044 -5.889 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.162 -10.081 -7.799 1.00 0.00 C ATOM 0 H LEU A 69 13.285 -5.749 -8.504 1.00 0.00 H new ATOM 0 HA LEU A 69 11.321 -7.842 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.598 -7.761 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.670 -7.044 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 69 12.939 -9.445 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.584 -10.048 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.942 -8.391 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.079 -8.660 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.867 -11.065 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.446 -9.742 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.154 -10.142 -8.247 1.00 0.00 H new ATOM 1078 N MET A 70 10.623 -5.156 -7.045 1.00 0.00 N ATOM 1079 CA MET A 70 9.536 -4.416 -6.428 1.00 0.00 C ATOM 1080 C MET A 70 9.576 -2.941 -6.836 1.00 0.00 C ATOM 1081 O MET A 70 10.650 -2.354 -6.950 1.00 0.00 O ATOM 1082 CB MET A 70 9.641 -4.527 -4.906 1.00 0.00 C ATOM 1083 CG MET A 70 8.555 -3.698 -4.218 1.00 0.00 C ATOM 1084 SD MET A 70 9.217 -2.913 -2.759 1.00 0.00 S ATOM 1085 CE MET A 70 9.965 -1.469 -3.495 1.00 0.00 C ATOM 0 H MET A 70 11.511 -4.656 -7.083 1.00 0.00 H new ATOM 0 HA MET A 70 8.592 -4.843 -6.768 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.550 -5.571 -4.607 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.624 -4.187 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.173 -2.943 -4.905 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.715 -4.338 -3.947 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.562 -0.947 -2.747 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.605 -1.773 -4.323 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.185 -0.804 -3.865 1.00 0.00 H new ATOM 1095 N TRP A 71 8.392 -2.386 -7.046 1.00 0.00 N ATOM 1096 CA TRP A 71 8.278 -0.992 -7.439 1.00 0.00 C ATOM 1097 C TRP A 71 7.768 -0.200 -6.233 1.00 0.00 C ATOM 1098 O TRP A 71 7.158 -0.767 -5.327 1.00 0.00 O ATOM 1099 CB TRP A 71 7.386 -0.842 -8.673 1.00 0.00 C ATOM 1100 CG TRP A 71 8.144 -0.907 -10.000 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.287 -0.291 -10.329 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.762 -1.659 -11.172 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.670 -0.590 -11.621 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.713 -1.448 -12.150 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.650 -2.490 -11.398 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.649 -2.032 -13.420 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.601 -3.067 -12.673 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.550 -2.864 -13.668 1.00 0.00 C ATOM 0 H TRP A 71 7.503 -2.877 -6.951 1.00 0.00 H new ATOM 0 HA TRP A 71 9.249 -0.593 -7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.630 -1.627 -8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.859 0.110 -8.614 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.840 0.358 -9.666 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.502 -0.245 -12.099 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.894 -2.669 -10.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.406 -1.851 -14.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.767 -3.715 -12.899 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.440 -3.346 -14.628 1.00 0.00 H new ATOM 1119 N GLN A 72 8.036 1.097 -6.261 1.00 0.00 N ATOM 1120 CA GLN A 72 7.614 1.971 -5.181 1.00 0.00 C ATOM 1121 C GLN A 72 7.100 3.299 -5.743 1.00 0.00 C ATOM 1122 O GLN A 72 7.884 4.123 -6.209 1.00 0.00 O ATOM 1123 CB GLN A 72 8.752 2.202 -4.183 1.00 0.00 C ATOM 1124 CG GLN A 72 8.206 2.579 -2.806 1.00 0.00 C ATOM 1125 CD GLN A 72 7.964 1.334 -1.951 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.811 0.719 -2.204 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.770 0.954 -1.117 1.00 0.00 N flip ATOM 0 H GLN A 72 8.540 1.563 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 72 6.799 1.485 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.359 1.300 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.405 2.994 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.910 3.240 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.274 3.133 -2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.637 1.472 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.577 0.118 -0.565 1.00 0.00 H new ATOM 1136 N LEU A 73 5.787 3.463 -5.679 1.00 0.00 N ATOM 1137 CA LEU A 73 5.159 4.675 -6.178 1.00 0.00 C ATOM 1138 C LEU A 73 5.715 5.881 -5.418 1.00 0.00 C ATOM 1139 O LEU A 73 5.512 6.006 -4.211 1.00 0.00 O ATOM 1140 CB LEU A 73 3.636 4.556 -6.112 1.00 0.00 C ATOM 1141 CG LEU A 73 2.848 5.822 -6.455 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.429 6.511 -7.691 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.358 5.514 -6.617 1.00 0.00 C ATOM 0 H LEU A 73 5.141 2.777 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 73 5.398 4.822 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.324 3.763 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.359 4.241 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 73 2.943 6.520 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.851 7.408 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.466 6.786 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.385 5.831 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.821 6.431 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.221 4.790 -7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.968 5.102 -5.686 1.00 0.00 H new ATOM 1155 N TYR A 74 6.404 6.739 -6.156 1.00 0.00 N ATOM 1156 CA TYR A 74 6.990 7.931 -5.565 1.00 0.00 C ATOM 1157 C TYR A 74 6.147 9.169 -5.880 1.00 0.00 C ATOM 1158 O TYR A 74 5.107 9.068 -6.528 1.00 0.00 O ATOM 1159 CB TYR A 74 8.367 8.089 -6.214 1.00 0.00 C ATOM 1160 CG TYR A 74 9.533 7.992 -5.229 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.505 7.055 -4.217 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.614 8.841 -5.353 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.603 6.964 -3.289 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.712 8.750 -4.426 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.652 7.816 -3.440 1.00 0.00 C ATOM 1166 OH TYR A 74 12.690 7.730 -2.564 1.00 0.00 O ATOM 0 H TYR A 74 6.570 6.633 -7.157 1.00 0.00 H new ATOM 0 HA TYR A 74 7.047 7.835 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.487 7.322 -6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.411 9.054 -6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.660 6.390 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.636 9.574 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.593 6.236 -2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.564 9.409 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 74 13.450 7.289 -2.999 1.00 0.00 H new ATOM 1176 N PRO A 75 6.640 10.339 -5.392 1.00 0.00 N ATOM 1177 CA PRO A 75 5.943 11.594 -5.612 1.00 0.00 C ATOM 1178 C PRO A 75 6.126 12.078 -7.052 1.00 0.00 C ATOM 1179 O PRO A 75 6.992 11.583 -7.772 1.00 0.00 O ATOM 1180 CB PRO A 75 6.524 12.553 -4.585 1.00 0.00 C ATOM 1181 CG PRO A 75 7.843 11.939 -4.142 1.00 0.00 C ATOM 1182 CD PRO A 75 7.869 10.496 -4.620 1.00 0.00 C ATOM 0 HA PRO A 75 4.864 11.503 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.679 13.542 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.847 12.677 -3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.682 12.495 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.940 11.984 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.749 10.297 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.901 9.801 -3.781 1.00 0.00 H new ATOM 1190 N GLU A 76 5.295 13.039 -7.429 1.00 0.00 N ATOM 1191 CA GLU A 76 5.354 13.594 -8.771 1.00 0.00 C ATOM 1192 C GLU A 76 4.506 12.756 -9.730 1.00 0.00 C ATOM 1193 O GLU A 76 3.411 13.164 -10.115 1.00 0.00 O ATOM 1194 CB GLU A 76 6.800 13.692 -9.262 1.00 0.00 C ATOM 1195 CG GLU A 76 7.020 14.972 -10.069 1.00 0.00 C ATOM 1196 CD GLU A 76 8.511 15.279 -10.215 1.00 0.00 C ATOM 1197 OE1 GLU A 76 9.059 16.076 -9.439 1.00 0.00 O ATOM 1198 OE2 GLU A 76 9.104 14.657 -11.177 1.00 0.00 O ATOM 0 H GLU A 76 4.578 13.447 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 76 4.945 14.604 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.479 13.674 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.038 12.825 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.569 14.866 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.520 15.806 -9.577 1.00 0.00 H new ATOM 1206 N GLU A 77 5.044 11.599 -10.090 1.00 0.00 N ATOM 1207 CA GLU A 77 4.350 10.701 -10.996 1.00 0.00 C ATOM 1208 C GLU A 77 5.330 9.688 -11.591 1.00 0.00 C ATOM 1209 O GLU A 77 5.459 9.587 -12.811 1.00 0.00 O ATOM 1210 CB GLU A 77 3.631 11.482 -12.097 1.00 0.00 C ATOM 1211 CG GLU A 77 3.195 10.553 -13.232 1.00 0.00 C ATOM 1212 CD GLU A 77 1.816 10.947 -13.766 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.576 12.130 -14.049 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.978 9.974 -13.882 1.00 0.00 O ATOM 0 H GLU A 77 5.953 11.264 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 77 3.594 10.156 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.759 11.987 -11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.291 12.256 -12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.926 10.592 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.170 9.524 -12.874 1.00 0.00 H new ATOM 1222 N ARG A 78 5.994 8.963 -10.704 1.00 0.00 N ATOM 1223 CA ARG A 78 6.957 7.959 -11.127 1.00 0.00 C ATOM 1224 C ARG A 78 7.091 6.871 -10.061 1.00 0.00 C ATOM 1225 O ARG A 78 6.765 7.093 -8.896 1.00 0.00 O ATOM 1226 CB ARG A 78 8.330 8.587 -11.382 1.00 0.00 C ATOM 1227 CG ARG A 78 8.190 9.982 -11.994 1.00 0.00 C ATOM 1228 CD ARG A 78 9.548 10.682 -12.079 1.00 0.00 C ATOM 1229 NE ARG A 78 10.178 10.406 -13.389 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.364 10.919 -13.781 1.00 0.00 C ATOM 1231 NH1 ARG A 78 12.059 11.739 -12.966 1.00 0.00 N ATOM 1232 NH2 ARG A 78 11.833 10.605 -14.975 1.00 0.00 N ATOM 0 H ARG A 78 5.885 9.050 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 78 6.593 7.519 -12.056 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.884 8.651 -10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.907 7.949 -12.051 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.754 9.904 -12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.506 10.580 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.422 11.756 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.196 10.335 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 78 9.686 9.790 -14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.689 11.976 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.954 12.122 -13.270 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.301 9.984 -15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.727 10.983 -15.287 1.00 0.00 H new ATOM 1245 N TYR A 79 7.572 5.715 -10.499 1.00 0.00 N ATOM 1246 CA TYR A 79 7.752 4.590 -9.597 1.00 0.00 C ATOM 1247 C TYR A 79 9.236 4.353 -9.307 1.00 0.00 C ATOM 1248 O TYR A 79 10.036 4.204 -10.228 1.00 0.00 O ATOM 1249 CB TYR A 79 7.185 3.371 -10.326 1.00 0.00 C ATOM 1250 CG TYR A 79 5.723 3.071 -9.994 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.850 4.104 -9.722 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.275 1.765 -9.964 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.474 3.822 -9.408 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.899 1.482 -9.651 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.066 2.525 -9.389 1.00 0.00 C ATOM 1256 OH TYR A 79 1.766 2.258 -9.092 1.00 0.00 O ATOM 0 H TYR A 79 7.842 5.534 -11.466 1.00 0.00 H new ATOM 0 HA TYR A 79 7.254 4.776 -8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.278 3.528 -11.401 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.789 2.499 -10.078 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.200 5.126 -9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.958 0.955 -10.176 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.781 4.622 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.536 0.465 -9.625 1.00 0.00 H new ATOM 0 HH TYR A 79 1.718 1.467 -8.516 1.00 0.00 H new ATOM 1266 N MET A 80 9.557 4.324 -8.022 1.00 0.00 N ATOM 1267 CA MET A 80 10.930 4.106 -7.598 1.00 0.00 C ATOM 1268 C MET A 80 11.152 2.649 -7.188 1.00 0.00 C ATOM 1269 O MET A 80 10.538 2.167 -6.237 1.00 0.00 O ATOM 1270 CB MET A 80 11.251 5.024 -6.418 1.00 0.00 C ATOM 1271 CG MET A 80 12.720 4.895 -6.006 1.00 0.00 C ATOM 1272 SD MET A 80 13.366 6.492 -5.541 1.00 0.00 S ATOM 1273 CE MET A 80 14.986 6.400 -6.285 1.00 0.00 C ATOM 0 H MET A 80 8.890 4.448 -7.260 1.00 0.00 H new ATOM 0 HA MET A 80 11.590 4.332 -8.435 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.035 6.058 -6.688 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.609 4.774 -5.573 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.813 4.199 -5.172 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.303 4.484 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.529 7.324 -6.089 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.535 5.560 -5.860 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.885 6.260 -7.361 1.00 0.00 H new ATOM 1283 N ASP A 81 12.032 1.987 -7.925 1.00 0.00 N ATOM 1284 CA ASP A 81 12.343 0.595 -7.650 1.00 0.00 C ATOM 1285 C ASP A 81 13.497 0.523 -6.648 1.00 0.00 C ATOM 1286 O ASP A 81 14.041 1.550 -6.247 1.00 0.00 O ATOM 1287 CB ASP A 81 12.775 -0.135 -8.923 1.00 0.00 C ATOM 1288 CG ASP A 81 13.850 0.580 -9.744 1.00 0.00 C ATOM 1289 OD1 ASP A 81 13.548 1.269 -10.730 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.059 0.406 -9.329 1.00 0.00 O ATOM 0 H ASP A 81 12.540 2.390 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 81 11.446 0.122 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.145 -1.123 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.898 -0.286 -9.553 1.00 0.00 H new ATOM 1296 N ASN A 82 13.837 -0.702 -6.273 1.00 0.00 N ATOM 1297 CA ASN A 82 14.917 -0.922 -5.326 1.00 0.00 C ATOM 1298 C ASN A 82 16.186 -1.310 -6.088 1.00 0.00 C ATOM 1299 O ASN A 82 17.226 -1.560 -5.481 1.00 0.00 O ATOM 1300 CB ASN A 82 14.580 -2.059 -4.360 1.00 0.00 C ATOM 1301 CG ASN A 82 14.702 -1.598 -2.906 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.617 -0.885 -2.529 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.731 -2.044 -2.113 1.00 0.00 N ATOM 0 H ASN A 82 13.384 -1.552 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 82 15.063 -0.001 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.567 -2.413 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.250 -2.901 -4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.723 -1.792 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.994 -2.638 -2.493 1.00 0.00 H new ATOM 1310 N ASN A 83 16.059 -1.347 -7.406 1.00 0.00 N ATOM 1311 CA ASN A 83 17.182 -1.698 -8.258 1.00 0.00 C ATOM 1312 C ASN A 83 18.084 -0.474 -8.435 1.00 0.00 C ATOM 1313 O ASN A 83 19.125 -0.556 -9.084 1.00 0.00 O ATOM 1314 CB ASN A 83 16.707 -2.141 -9.642 1.00 0.00 C ATOM 1315 CG ASN A 83 17.661 -3.174 -10.244 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.087 -4.117 -9.597 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.972 -2.946 -11.517 1.00 0.00 N ATOM 0 H ASN A 83 15.194 -1.139 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 83 17.722 -2.518 -7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.706 -2.565 -9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.639 -1.276 -10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.602 -3.579 -12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.581 -2.138 -12.001 1.00 0.00 H new ATOM 1324 N SER A 84 17.650 0.631 -7.847 1.00 0.00 N ATOM 1325 CA SER A 84 18.405 1.870 -7.931 1.00 0.00 C ATOM 1326 C SER A 84 18.017 2.634 -9.198 1.00 0.00 C ATOM 1327 O SER A 84 18.856 3.292 -9.812 1.00 0.00 O ATOM 1328 CB SER A 84 19.911 1.599 -7.915 1.00 0.00 C ATOM 1329 OG SER A 84 20.635 2.645 -7.272 1.00 0.00 O ATOM 0 H SER A 84 16.785 0.694 -7.310 1.00 0.00 H new ATOM 0 HA SER A 84 18.163 2.478 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.104 0.656 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.270 1.485 -8.938 1.00 0.00 H new ATOM 0 HG SER A 84 21.592 2.434 -7.281 1.00 0.00 H new ATOM 1335 N ARG A 85 16.745 2.521 -9.553 1.00 0.00 N ATOM 1336 CA ARG A 85 16.237 3.193 -10.737 1.00 0.00 C ATOM 1337 C ARG A 85 14.830 3.736 -10.474 1.00 0.00 C ATOM 1338 O ARG A 85 14.140 3.272 -9.569 1.00 0.00 O ATOM 1339 CB ARG A 85 16.193 2.242 -11.935 1.00 0.00 C ATOM 1340 CG ARG A 85 17.547 1.561 -12.143 1.00 0.00 C ATOM 1341 CD ARG A 85 18.004 1.684 -13.598 1.00 0.00 C ATOM 1342 NE ARG A 85 18.361 0.349 -14.130 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.549 -0.256 -13.918 1.00 0.00 C ATOM 1344 NH1 ARG A 85 20.505 0.349 -13.182 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.761 -1.450 -14.441 1.00 0.00 N ATOM 0 H ARG A 85 16.052 1.975 -9.042 1.00 0.00 H new ATOM 0 HA ARG A 85 16.913 4.017 -10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.423 1.487 -11.777 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.918 2.795 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.290 2.012 -11.485 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.475 0.509 -11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.210 2.125 -14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.863 2.352 -13.663 1.00 0.00 H new ATOM 0 HE ARG A 85 17.666 -0.144 -14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 85 20.333 1.271 -12.781 1.00 0.00 H new ATOM 0 HH12 ARG A 85 21.400 -0.116 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.033 -1.901 -14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.653 -1.922 -14.291 1.00 0.00 H new ATOM 1358 N LEU A 86 14.448 4.713 -11.284 1.00 0.00 N ATOM 1359 CA LEU A 86 13.137 5.325 -11.151 1.00 0.00 C ATOM 1360 C LEU A 86 12.403 5.244 -12.491 1.00 0.00 C ATOM 1361 O LEU A 86 12.826 5.851 -13.473 1.00 0.00 O ATOM 1362 CB LEU A 86 13.262 6.749 -10.604 1.00 0.00 C ATOM 1363 CG LEU A 86 12.099 7.240 -9.740 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.330 8.680 -9.278 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.766 7.081 -10.475 1.00 0.00 C ATOM 0 H LEU A 86 15.023 5.096 -12.034 1.00 0.00 H new ATOM 0 HA LEU A 86 12.535 4.781 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.177 6.812 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.377 7.432 -11.446 1.00 0.00 H new ATOM 0 HG LEU A 86 12.051 6.619 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.489 9.005 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.247 8.731 -8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.419 9.331 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.955 7.437 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.787 7.663 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.605 6.030 -10.713 1.00 0.00 H new ATOM 1377 N TRP A 87 11.315 4.487 -12.488 1.00 0.00 N ATOM 1378 CA TRP A 87 10.517 4.319 -13.691 1.00 0.00 C ATOM 1379 C TRP A 87 9.469 5.432 -13.724 1.00 0.00 C ATOM 1380 O TRP A 87 8.888 5.773 -12.695 1.00 0.00 O ATOM 1381 CB TRP A 87 9.904 2.919 -13.751 1.00 0.00 C ATOM 1382 CG TRP A 87 10.934 1.787 -13.734 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.971 1.628 -12.901 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.982 0.656 -14.629 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.682 0.481 -13.193 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.062 -0.129 -14.276 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.143 0.307 -15.701 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.401 -1.311 -14.944 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.495 -0.879 -16.358 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.578 -1.679 -16.015 1.00 0.00 C ATOM 0 H TRP A 87 10.968 3.983 -11.672 1.00 0.00 H new ATOM 0 HA TRP A 87 11.140 4.402 -14.581 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.227 2.793 -12.906 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.302 2.835 -14.656 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.220 2.311 -12.102 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.511 0.143 -12.703 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.294 0.906 -15.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.252 -1.907 -14.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.882 -1.194 -17.189 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.784 -2.581 -16.572 1.00 0.00 H new ATOM 1401 N GLN A 88 9.259 5.969 -14.917 1.00 0.00 N ATOM 1402 CA GLN A 88 8.290 7.037 -15.097 1.00 0.00 C ATOM 1403 C GLN A 88 6.943 6.463 -15.539 1.00 0.00 C ATOM 1404 O GLN A 88 6.859 5.783 -16.560 1.00 0.00 O ATOM 1405 CB GLN A 88 8.799 8.075 -16.099 1.00 0.00 C ATOM 1406 CG GLN A 88 7.650 8.937 -16.627 1.00 0.00 C ATOM 1407 CD GLN A 88 8.088 10.393 -16.793 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.254 10.700 -16.984 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.092 11.271 -16.712 1.00 0.00 N ATOM 0 H GLN A 88 9.743 5.684 -15.768 1.00 0.00 H new ATOM 0 HA GLN A 88 8.151 7.541 -14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.546 8.710 -15.622 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.293 7.572 -16.930 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.307 8.545 -17.585 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.805 8.884 -15.940 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.138 10.947 -16.551 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.282 12.268 -16.811 1.00 0.00 H new ATOM 1418 N ILE A 89 5.921 6.758 -14.748 1.00 0.00 N ATOM 1419 CA ILE A 89 4.582 6.279 -15.044 1.00 0.00 C ATOM 1420 C ILE A 89 4.114 6.878 -16.372 1.00 0.00 C ATOM 1421 O ILE A 89 3.517 7.953 -16.397 1.00 0.00 O ATOM 1422 CB ILE A 89 3.640 6.567 -13.873 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.159 5.932 -12.582 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.211 6.121 -14.198 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.952 4.416 -12.596 1.00 0.00 C ATOM 0 H ILE A 89 5.994 7.323 -13.902 1.00 0.00 H new ATOM 0 HA ILE A 89 4.582 5.196 -15.164 1.00 0.00 H new ATOM 0 HB ILE A 89 3.613 7.645 -13.712 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.219 6.157 -12.462 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.642 6.365 -11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.561 6.336 -13.350 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.853 6.659 -15.076 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.201 5.050 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.329 3.989 -11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.889 4.195 -12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.490 3.983 -13.439 1.00 0.00 H new ATOM 1437 N GLN A 90 4.402 6.154 -17.444 1.00 0.00 N ATOM 1438 CA GLN A 90 4.019 6.601 -18.773 1.00 0.00 C ATOM 1439 C GLN A 90 2.536 6.976 -18.800 1.00 0.00 C ATOM 1440 O GLN A 90 2.161 8.002 -19.365 1.00 0.00 O ATOM 1441 CB GLN A 90 4.334 5.533 -19.822 1.00 0.00 C ATOM 1442 CG GLN A 90 5.401 6.026 -20.802 1.00 0.00 C ATOM 1443 CD GLN A 90 4.762 6.746 -21.992 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.585 6.603 -22.278 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.602 7.525 -22.667 1.00 0.00 N ATOM 0 H GLN A 90 4.896 5.262 -17.419 1.00 0.00 H new ATOM 0 HA GLN A 90 4.602 7.488 -19.019 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.680 4.624 -19.329 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.426 5.274 -20.367 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.087 6.701 -20.289 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.991 5.181 -21.158 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.576 7.600 -22.373 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.272 8.048 -23.478 1.00 0.00 H new ATOM 1454 N HIS A 91 1.731 6.122 -18.183 1.00 0.00 N ATOM 1455 CA HIS A 91 0.298 6.350 -18.130 1.00 0.00 C ATOM 1456 C HIS A 91 -0.349 5.331 -17.190 1.00 0.00 C ATOM 1457 O HIS A 91 0.190 4.246 -16.978 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.308 6.330 -19.534 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.808 4.973 -19.969 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.525 4.029 -19.294 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.576 4.458 -21.233 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.724 2.996 -20.102 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.136 3.259 -21.305 1.00 0.00 N flip ATOM 0 H HIS A 91 2.045 5.271 -17.716 1.00 0.00 H new ATOM 0 HA HIS A 91 0.099 7.343 -17.726 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.135 7.039 -19.572 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.441 6.675 -20.247 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.031 4.950 -22.025 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.263 2.095 -19.849 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.129 2.641 -22.117 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.498 5.716 -16.651 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.224 4.848 -15.740 1.00 0.00 C ATOM 1473 C HIS A 92 -3.720 5.158 -15.819 1.00 0.00 C ATOM 1474 O HIS A 92 -4.158 6.232 -15.412 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.669 4.968 -14.318 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.434 4.166 -13.292 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.679 2.827 -13.208 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.045 4.745 -12.193 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.400 2.600 -12.118 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.629 3.788 -11.487 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.943 6.617 -16.828 1.00 0.00 H new ATOM 0 HA HIS A 92 -2.087 3.808 -16.036 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.628 4.643 -14.316 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.676 6.017 -14.023 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.046 5.798 -11.952 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.749 1.634 -11.785 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.157 3.917 -10.624 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.462 4.196 -16.347 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.901 4.352 -16.486 1.00 0.00 C ATOM 1490 C LEU A 93 -6.563 2.974 -16.461 1.00 0.00 C ATOM 1491 O LEU A 93 -5.913 1.974 -16.165 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.233 5.173 -17.734 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.231 5.076 -18.887 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -4.095 6.086 -18.711 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.709 3.646 -19.040 1.00 0.00 C ATOM 0 H LEU A 93 -4.095 3.306 -16.684 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.307 4.916 -15.646 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.210 4.860 -18.101 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.322 6.220 -17.443 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.748 5.330 -19.812 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.397 5.997 -19.543 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.506 7.095 -18.689 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.572 5.886 -17.776 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.999 3.604 -19.866 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.213 3.339 -18.119 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.543 2.974 -19.244 1.00 0.00 H new ATOM 1507 N MET A 94 -7.851 2.965 -16.777 1.00 0.00 N ATOM 1508 CA MET A 94 -8.609 1.726 -16.794 1.00 0.00 C ATOM 1509 C MET A 94 -9.217 1.474 -18.176 1.00 0.00 C ATOM 1510 O MET A 94 -9.968 2.302 -18.688 1.00 0.00 O ATOM 1511 CB MET A 94 -9.726 1.796 -15.751 1.00 0.00 C ATOM 1512 CG MET A 94 -10.856 0.822 -16.091 1.00 0.00 C ATOM 1513 SD MET A 94 -11.555 0.151 -14.593 1.00 0.00 S ATOM 1514 CE MET A 94 -10.407 -1.180 -14.284 1.00 0.00 C ATOM 0 H MET A 94 -8.388 3.797 -17.023 1.00 0.00 H new ATOM 0 HA MET A 94 -7.932 0.905 -16.560 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.323 1.562 -14.766 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.119 2.811 -15.702 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.628 1.334 -16.665 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.476 0.015 -16.718 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.937 -2.132 -14.317 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.627 -1.172 -15.046 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.955 -1.050 -13.301 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.867 0.328 -18.740 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.367 -0.044 -20.053 1.00 0.00 C ATOM 1526 C VAL A 95 -10.027 -1.422 -19.971 1.00 0.00 C ATOM 1527 O VAL A 95 -9.473 -2.345 -19.375 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.236 0.018 -21.081 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.611 -0.743 -22.354 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.862 1.467 -21.398 1.00 0.00 C ATOM 0 H VAL A 95 -8.243 -0.356 -18.312 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.128 0.661 -20.386 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.361 -0.466 -20.647 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.790 -0.684 -23.069 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.805 -1.788 -22.110 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.506 -0.301 -22.792 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.056 1.483 -22.131 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.730 1.987 -21.803 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.533 1.966 -20.486 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.200 -1.519 -20.578 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.941 -2.768 -20.583 1.00 0.00 C ATOM 1542 C ARG A 96 -12.048 -3.326 -19.162 1.00 0.00 C ATOM 1543 O ARG A 96 -11.964 -4.537 -18.958 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.265 -3.807 -21.481 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.323 -3.380 -22.949 1.00 0.00 C ATOM 1546 CD ARG A 96 -11.852 -4.516 -23.829 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.332 -4.515 -23.820 1.00 0.00 N ATOM 1548 CZ ARG A 96 -14.094 -3.732 -24.612 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -13.520 -2.877 -25.486 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.408 -3.813 -24.520 1.00 0.00 N ATOM 0 H ARG A 96 -11.656 -0.751 -21.071 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.937 -2.561 -20.973 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.226 -3.936 -21.176 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.755 -4.773 -21.359 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.965 -2.506 -23.052 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.329 -3.087 -23.286 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.486 -4.398 -24.849 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.478 -5.473 -23.465 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.806 -5.146 -23.174 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.504 -2.820 -25.551 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.103 -2.288 -26.081 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.834 -4.461 -23.857 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.998 -3.228 -25.112 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.230 -2.417 -18.215 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.348 -2.804 -16.819 1.00 0.00 C ATOM 1565 C GLY A 97 -11.019 -3.343 -16.286 1.00 0.00 C ATOM 1566 O GLY A 97 -10.999 -4.118 -15.331 1.00 0.00 O ATOM 0 H GLY A 97 -12.299 -1.414 -18.387 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.661 -1.945 -16.225 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.122 -3.564 -16.713 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.942 -2.912 -16.926 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.613 -3.343 -16.528 1.00 0.00 C ATOM 1572 C VAL A 98 -7.699 -2.121 -16.409 1.00 0.00 C ATOM 1573 O VAL A 98 -7.659 -1.282 -17.309 1.00 0.00 O ATOM 1574 CB VAL A 98 -8.085 -4.390 -17.511 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.561 -4.319 -17.623 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.540 -5.795 -17.111 1.00 0.00 C ATOM 0 H VAL A 98 -9.963 -2.269 -17.717 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.645 -3.822 -15.550 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.503 -4.168 -18.493 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.212 -5.074 -18.328 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.268 -3.330 -17.976 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.115 -4.502 -16.645 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.151 -6.521 -17.826 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.164 -6.029 -16.115 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.629 -5.837 -17.107 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.990 -2.058 -15.293 1.00 0.00 N ATOM 1587 CA GLN A 99 -6.080 -0.953 -15.045 1.00 0.00 C ATOM 1588 C GLN A 99 -4.714 -1.239 -15.674 1.00 0.00 C ATOM 1589 O GLN A 99 -4.000 -2.138 -15.233 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.946 -0.677 -13.546 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.294 -0.282 -12.939 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.675 -1.221 -11.793 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.042 -2.235 -11.549 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.743 -0.828 -11.105 1.00 0.00 N ATOM 0 H GLN A 99 -7.027 -2.755 -14.549 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.493 -0.058 -15.510 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.562 -1.564 -13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.222 0.121 -13.383 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.246 0.744 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.066 -0.310 -13.708 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.227 0.032 -11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.078 -1.387 -10.320 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.393 -0.456 -16.694 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.125 -0.614 -17.386 1.00 0.00 C ATOM 1605 C GLU A 100 -2.151 0.489 -16.968 1.00 0.00 C ATOM 1606 O GLU A 100 -2.375 1.664 -17.258 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.326 -0.620 -18.903 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.031 -0.990 -19.627 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.205 -0.898 -21.144 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -1.541 -0.079 -21.796 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -3.065 -1.718 -21.645 1.00 0.00 O ATOM 0 H GLU A 100 -4.988 0.288 -17.057 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.697 -1.576 -17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.110 -1.330 -19.167 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.663 0.363 -19.233 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.229 -0.324 -19.308 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.733 -2.002 -19.352 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.090 0.072 -16.294 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.080 1.010 -15.831 1.00 0.00 C ATOM 1621 C LEU A 101 1.191 0.835 -16.664 1.00 0.00 C ATOM 1622 O LEU A 101 1.726 -0.268 -16.764 1.00 0.00 O ATOM 1623 CB LEU A 101 0.145 0.857 -14.326 1.00 0.00 C ATOM 1624 CG LEU A 101 0.540 2.130 -13.574 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.609 1.876 -12.067 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.848 2.706 -14.120 1.00 0.00 C ATOM 0 H LEU A 101 -0.907 -0.903 -16.057 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.418 2.036 -15.976 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.769 0.464 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.923 0.110 -14.169 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.234 2.879 -13.739 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.892 2.796 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.366 1.546 -11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.351 1.104 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.106 3.610 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.645 1.971 -14.005 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.726 2.948 -15.176 1.00 0.00 H new ATOM 1638 N LEU A 102 1.639 1.940 -17.243 1.00 0.00 N ATOM 1639 CA LEU A 102 2.838 1.923 -18.064 1.00 0.00 C ATOM 1640 C LEU A 102 4.011 2.483 -17.258 1.00 0.00 C ATOM 1641 O LEU A 102 3.905 3.557 -16.665 1.00 0.00 O ATOM 1642 CB LEU A 102 2.593 2.656 -19.385 1.00 0.00 C ATOM 1643 CG LEU A 102 1.296 2.304 -20.116 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.467 2.437 -21.631 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.800 0.913 -19.716 1.00 0.00 C ATOM 0 H LEU A 102 1.193 2.853 -17.160 1.00 0.00 H new ATOM 0 HA LEU A 102 3.098 0.900 -18.337 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.597 3.728 -19.189 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.430 2.451 -20.052 1.00 0.00 H new ATOM 0 HG LEU A 102 0.530 3.018 -19.814 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.531 2.181 -22.127 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.740 3.463 -21.878 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.253 1.762 -21.969 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.123 0.688 -20.250 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.556 0.170 -19.970 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.613 0.888 -18.642 1.00 0.00 H new ATOM 1657 N LEU A 103 5.102 1.733 -17.261 1.00 0.00 N ATOM 1658 CA LEU A 103 6.295 2.142 -16.538 1.00 0.00 C ATOM 1659 C LEU A 103 7.449 2.319 -17.526 1.00 0.00 C ATOM 1660 O LEU A 103 7.762 1.408 -18.291 1.00 0.00 O ATOM 1661 CB LEU A 103 6.598 1.159 -15.407 1.00 0.00 C ATOM 1662 CG LEU A 103 5.725 1.283 -14.157 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.665 -0.042 -13.395 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.202 2.433 -13.267 1.00 0.00 C ATOM 0 H LEU A 103 5.186 0.843 -17.753 1.00 0.00 H new ATOM 0 HA LEU A 103 6.137 3.107 -16.056 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.498 0.146 -15.797 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.640 1.285 -15.112 1.00 0.00 H new ATOM 0 HG LEU A 103 4.709 1.519 -14.473 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.038 0.075 -12.511 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.244 -0.814 -14.039 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.671 -0.333 -13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.564 2.499 -12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.231 2.251 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.151 3.369 -13.823 1.00 0.00 H new ATOM 1676 N LYS A 104 8.051 3.499 -17.479 1.00 0.00 N ATOM 1677 CA LYS A 104 9.163 3.808 -18.361 1.00 0.00 C ATOM 1678 C LYS A 104 10.431 4.000 -17.527 1.00 0.00 C ATOM 1679 O LYS A 104 10.446 4.794 -16.588 1.00 0.00 O ATOM 1680 CB LYS A 104 8.825 5.005 -19.252 1.00 0.00 C ATOM 1681 CG LYS A 104 9.940 5.267 -20.265 1.00 0.00 C ATOM 1682 CD LYS A 104 9.598 4.659 -21.627 1.00 0.00 C ATOM 1683 CE LYS A 104 8.759 5.626 -22.464 1.00 0.00 C ATOM 1684 NZ LYS A 104 7.849 4.880 -23.362 1.00 0.00 N ATOM 0 H LYS A 104 7.789 4.252 -16.843 1.00 0.00 H new ATOM 0 HA LYS A 104 9.351 2.978 -19.042 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.888 4.819 -19.777 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.674 5.891 -18.635 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.095 6.341 -20.371 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.876 4.844 -19.899 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.516 4.413 -22.160 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.052 3.726 -21.486 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.180 6.276 -21.808 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.414 6.269 -23.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.013 5.175 -24.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.031 3.860 -23.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.862 5.080 -23.100 1.00 0.00 H new ATOM 1697 N LEU A 105 11.465 3.260 -17.901 1.00 0.00 N ATOM 1698 CA LEU A 105 12.734 3.340 -17.199 1.00 0.00 C ATOM 1699 C LEU A 105 13.744 4.097 -18.064 1.00 0.00 C ATOM 1700 O LEU A 105 14.078 3.656 -19.164 1.00 0.00 O ATOM 1701 CB LEU A 105 13.205 1.944 -16.783 1.00 0.00 C ATOM 1702 CG LEU A 105 14.464 1.892 -15.915 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.249 2.629 -14.592 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.922 0.448 -15.700 1.00 0.00 C ATOM 0 H LEU A 105 11.449 2.603 -18.681 1.00 0.00 H new ATOM 0 HA LEU A 105 12.622 3.903 -16.273 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.395 1.455 -16.243 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.385 1.359 -17.685 1.00 0.00 H new ATOM 0 HG LEU A 105 15.265 2.408 -16.444 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.159 2.577 -13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.006 3.672 -14.792 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.429 2.164 -14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.818 0.439 -15.080 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.131 -0.114 -15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.143 -0.011 -16.664 1.00 0.00 H new ATOM 1716 N LEU A 106 14.202 5.221 -17.536 1.00 0.00 N ATOM 1717 CA LEU A 106 15.166 6.044 -18.247 1.00 0.00 C ATOM 1718 C LEU A 106 16.573 5.735 -17.730 1.00 0.00 C ATOM 1719 O LEU A 106 16.734 5.237 -16.616 1.00 0.00 O ATOM 1720 CB LEU A 106 14.786 7.523 -18.148 1.00 0.00 C ATOM 1721 CG LEU A 106 13.563 7.956 -18.958 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.297 7.260 -18.456 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.417 9.480 -18.959 1.00 0.00 C ATOM 0 H LEU A 106 13.924 5.582 -16.624 1.00 0.00 H new ATOM 0 HA LEU A 106 15.157 5.807 -19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.606 7.762 -17.100 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.640 8.120 -18.469 1.00 0.00 H new ATOM 0 HG LEU A 106 13.712 7.646 -19.992 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.443 7.586 -19.049 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.414 6.180 -18.550 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.131 7.517 -17.410 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.540 9.761 -19.542 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.301 9.835 -17.935 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.306 9.930 -19.401 1.00 0.00 H new