USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 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 9 SER OG : rot 0:sc= 0.821 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.763 K(o=0.058,f=-2.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-2.5) USER MOD Single : A 24 ASN : amide:sc= -2.63 K(o=-2.6,f=-7.8!) USER MOD Single : A 46 SER OG : rot -29:sc= 0.395 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.106 (180deg=-0.582) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -5.54! C(o=-6.3!,f=-5.5!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.517 F(o=-3.1!,f=-0.52) USER MOD Single : A 75 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.85! C(o=-5.7!,f=-2.9!) USER MOD Single : A 81 GLN : amide:sc=-0.00878 X(o=-0.0088,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -98:sc= 1.04 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.335 -6.187 -0.192 1.00 0.00 N ATOM 67 CA LYS A 8 -13.281 -5.319 -1.356 1.00 0.00 C ATOM 68 C LYS A 8 -11.850 -4.810 -1.541 1.00 0.00 C ATOM 69 O LYS A 8 -11.075 -4.766 -0.587 1.00 0.00 O ATOM 70 CB LYS A 8 -14.320 -4.202 -1.240 1.00 0.00 C ATOM 71 CG LYS A 8 -15.335 -4.277 -2.383 1.00 0.00 C ATOM 72 CD LYS A 8 -16.463 -5.257 -2.051 1.00 0.00 C ATOM 73 CE LYS A 8 -17.109 -5.801 -3.327 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.966 -7.273 -3.393 1.00 0.00 N ATOM 0 HA LYS A 8 -13.542 -5.874 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.837 -4.279 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.821 -3.233 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.752 -3.287 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.834 -4.590 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.070 -6.082 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.216 -4.757 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.165 -5.531 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.643 -5.345 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.410 -7.626 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.957 -7.524 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.431 -7.704 -2.569 1.00 0.00 H new ATOM 88 N SER A 9 -11.543 -4.439 -2.775 1.00 0.00 N ATOM 89 CA SER A 9 -10.219 -3.935 -3.098 1.00 0.00 C ATOM 90 C SER A 9 -10.306 -2.467 -3.519 1.00 0.00 C ATOM 91 O SER A 9 -10.928 -2.143 -4.530 1.00 0.00 O ATOM 92 CB SER A 9 -9.568 -4.767 -4.204 1.00 0.00 C ATOM 93 OG SER A 9 -10.070 -4.427 -5.494 1.00 0.00 O ATOM 0 H SER A 9 -12.189 -4.477 -3.564 1.00 0.00 H new ATOM 0 HA SER A 9 -9.596 -4.014 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.489 -4.616 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.745 -5.825 -4.013 1.00 0.00 H new ATOM 0 HG SER A 9 -10.738 -3.716 -5.408 1.00 0.00 H new ATOM 99 N LEU A 10 -9.674 -1.617 -2.723 1.00 0.00 N ATOM 100 CA LEU A 10 -9.672 -0.191 -3.000 1.00 0.00 C ATOM 101 C LEU A 10 -8.302 0.217 -3.544 1.00 0.00 C ATOM 102 O LEU A 10 -7.288 -0.392 -3.204 1.00 0.00 O ATOM 103 CB LEU A 10 -10.101 0.597 -1.761 1.00 0.00 C ATOM 104 CG LEU A 10 -11.514 0.317 -1.244 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.745 -1.184 -1.063 1.00 0.00 C ATOM 106 CD2 LEU A 10 -11.792 1.099 0.042 1.00 0.00 C ATOM 0 H LEU A 10 -9.159 -1.889 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.405 0.048 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.394 0.387 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.022 1.661 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.226 0.664 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.757 -1.355 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.617 -1.690 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.026 -1.579 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.803 0.882 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.075 0.805 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.697 2.167 -0.154 1.00 0.00 H new ATOM 118 N THR A 11 -8.314 1.244 -4.380 1.00 0.00 N ATOM 119 CA THR A 11 -7.084 1.740 -4.975 1.00 0.00 C ATOM 120 C THR A 11 -6.617 3.006 -4.254 1.00 0.00 C ATOM 121 O THR A 11 -7.431 3.851 -3.884 1.00 0.00 O ATOM 122 CB THR A 11 -7.332 1.949 -6.470 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.236 0.905 -6.821 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.089 1.666 -7.315 1.00 0.00 C ATOM 0 H THR A 11 -9.156 1.747 -4.660 1.00 0.00 H new ATOM 0 HA THR A 11 -6.272 1.021 -4.863 1.00 0.00 H new ATOM 0 HB THR A 11 -7.663 2.973 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.452 0.966 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.320 1.829 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.283 2.335 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.777 0.632 -7.168 1.00 0.00 H new ATOM 132 N LEU A 12 -5.307 3.098 -4.077 1.00 0.00 N ATOM 133 CA LEU A 12 -4.721 4.247 -3.407 1.00 0.00 C ATOM 134 C LEU A 12 -3.480 4.702 -4.177 1.00 0.00 C ATOM 135 O LEU A 12 -2.660 3.880 -4.583 1.00 0.00 O ATOM 136 CB LEU A 12 -4.449 3.928 -1.935 1.00 0.00 C ATOM 137 CG LEU A 12 -4.939 2.564 -1.443 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.795 1.550 -1.411 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.633 2.689 -0.085 1.00 0.00 C ATOM 0 H LEU A 12 -4.635 2.396 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.420 5.084 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.374 3.990 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.915 4.701 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.680 2.191 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.170 0.589 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.385 1.433 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.014 1.904 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.972 1.706 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.933 3.093 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.490 3.357 -0.174 1.00 0.00 H new ATOM 151 N VAL A 13 -3.380 6.011 -4.354 1.00 0.00 N ATOM 152 CA VAL A 13 -2.252 6.586 -5.068 1.00 0.00 C ATOM 153 C VAL A 13 -1.230 7.113 -4.059 1.00 0.00 C ATOM 154 O VAL A 13 -1.523 8.032 -3.295 1.00 0.00 O ATOM 155 CB VAL A 13 -2.742 7.662 -6.040 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.569 8.467 -6.602 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.573 7.045 -7.167 1.00 0.00 C ATOM 0 H VAL A 13 -4.061 6.690 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.753 5.826 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.384 8.347 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.944 9.225 -7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.035 8.951 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.891 7.799 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.909 7.831 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.964 6.328 -7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.439 6.536 -6.744 1.00 0.00 H new ATOM 167 N LEU A 14 -0.052 6.508 -4.088 1.00 0.00 N ATOM 168 CA LEU A 14 1.015 6.905 -3.186 1.00 0.00 C ATOM 169 C LEU A 14 1.992 7.820 -3.928 1.00 0.00 C ATOM 170 O LEU A 14 2.106 7.750 -5.150 1.00 0.00 O ATOM 171 CB LEU A 14 1.678 5.673 -2.565 1.00 0.00 C ATOM 172 CG LEU A 14 0.808 4.853 -1.610 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.637 3.783 -0.896 1.00 0.00 C ATOM 174 CD2 LEU A 14 0.072 5.761 -0.623 1.00 0.00 C ATOM 0 H LEU A 14 0.187 5.746 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 14 0.613 7.478 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.013 5.020 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.568 5.997 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 14 0.050 4.335 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.995 3.214 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.076 3.111 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.431 4.261 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.539 5.153 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.798 6.325 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.568 6.452 -1.172 1.00 0.00 H new ATOM 186 N HIS A 15 2.671 8.657 -3.157 1.00 0.00 N ATOM 187 CA HIS A 15 3.633 9.584 -3.726 1.00 0.00 C ATOM 188 C HIS A 15 4.886 9.626 -2.849 1.00 0.00 C ATOM 189 O HIS A 15 4.971 8.917 -1.847 1.00 0.00 O ATOM 190 CB HIS A 15 3.004 10.965 -3.927 1.00 0.00 C ATOM 191 CG HIS A 15 2.179 11.086 -5.185 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.642 11.715 -6.328 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.917 10.653 -5.469 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.694 11.657 -7.251 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.625 10.999 -6.717 1.00 0.00 N ATOM 0 H HIS A 15 2.574 8.712 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 15 3.935 9.239 -4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.374 11.194 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.796 11.714 -3.950 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.558 12.149 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.266 10.119 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.756 12.060 -8.251 1.00 0.00 H new ATOM 268 N LEU A 21 7.673 7.419 1.361 1.00 0.00 N ATOM 269 CA LEU A 21 6.276 7.156 1.060 1.00 0.00 C ATOM 270 C LEU A 21 5.407 7.658 2.215 1.00 0.00 C ATOM 271 O LEU A 21 4.326 8.202 1.992 1.00 0.00 O ATOM 272 CB LEU A 21 6.068 5.676 0.733 1.00 0.00 C ATOM 273 CG LEU A 21 6.550 5.220 -0.646 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.778 5.930 -1.759 1.00 0.00 C ATOM 275 CD2 LEU A 21 8.062 5.406 -0.788 1.00 0.00 C ATOM 0 HA LEU A 21 5.969 7.702 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.580 5.082 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.005 5.452 0.817 1.00 0.00 H new ATOM 0 HG LEU A 21 6.347 4.154 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.140 5.588 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.716 5.702 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.927 7.007 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.378 5.074 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.313 6.459 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.574 4.817 -0.027 1.00 0.00 H new ATOM 287 N GLY A 22 5.911 7.458 3.424 1.00 0.00 N ATOM 288 CA GLY A 22 5.194 7.884 4.613 1.00 0.00 C ATOM 289 C GLY A 22 4.391 6.727 5.213 1.00 0.00 C ATOM 290 O GLY A 22 3.221 6.891 5.554 1.00 0.00 O ATOM 0 H GLY A 22 6.807 7.006 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.900 8.263 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.523 8.706 4.363 1.00 0.00 H new ATOM 294 N PHE A 23 5.053 5.585 5.323 1.00 0.00 N ATOM 295 CA PHE A 23 4.415 4.401 5.876 1.00 0.00 C ATOM 296 C PHE A 23 5.393 3.226 5.929 1.00 0.00 C ATOM 297 O PHE A 23 6.520 3.329 5.446 1.00 0.00 O ATOM 298 CB PHE A 23 3.255 4.042 4.945 1.00 0.00 C ATOM 299 CG PHE A 23 3.672 3.235 3.714 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.688 3.675 2.925 1.00 0.00 C ATOM 301 CD2 PHE A 23 3.026 2.078 3.409 1.00 0.00 C ATOM 302 CE1 PHE A 23 5.075 2.927 1.782 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.412 1.330 2.266 1.00 0.00 C ATOM 304 CZ PHE A 23 4.429 1.770 1.477 1.00 0.00 C ATOM 0 H PHE A 23 6.024 5.454 5.039 1.00 0.00 H new ATOM 0 HA PHE A 23 4.074 4.602 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.515 3.472 5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.768 4.960 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.201 4.594 3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.219 1.728 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.882 3.277 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.898 0.412 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.723 1.200 0.608 1.00 0.00 H new ATOM 314 N ASN A 24 4.927 2.136 6.520 1.00 0.00 N ATOM 315 CA ASN A 24 5.746 0.942 6.642 1.00 0.00 C ATOM 316 C ASN A 24 4.925 -0.280 6.227 1.00 0.00 C ATOM 317 O ASN A 24 3.717 -0.178 6.016 1.00 0.00 O ATOM 318 CB ASN A 24 6.205 0.735 8.087 1.00 0.00 C ATOM 319 CG ASN A 24 7.124 1.872 8.539 1.00 0.00 C ATOM 320 OD1 ASN A 24 7.206 2.921 7.922 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.808 1.606 9.648 1.00 0.00 N ATOM 0 H ASN A 24 3.992 2.054 6.920 1.00 0.00 H new ATOM 0 HA ASN A 24 6.618 1.065 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.337 0.681 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.729 -0.217 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.448 2.301 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.692 0.707 10.115 1.00 0.00 H new ATOM 328 N ILE A 25 5.612 -1.408 6.122 1.00 0.00 N ATOM 329 CA ILE A 25 4.961 -2.648 5.736 1.00 0.00 C ATOM 330 C ILE A 25 5.424 -3.772 6.665 1.00 0.00 C ATOM 331 O ILE A 25 6.506 -3.697 7.246 1.00 0.00 O ATOM 332 CB ILE A 25 5.199 -2.939 4.253 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.564 -2.415 3.803 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.060 -2.382 3.396 1.00 0.00 C ATOM 335 CD1 ILE A 25 7.132 -3.268 2.667 1.00 0.00 C ATOM 0 H ILE A 25 6.613 -1.489 6.298 1.00 0.00 H new ATOM 0 HA ILE A 25 3.880 -2.563 5.851 1.00 0.00 H new ATOM 0 HB ILE A 25 5.208 -4.020 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.470 -1.380 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.255 -2.419 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.253 -2.602 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.119 -2.844 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.995 -1.303 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.103 -2.874 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.248 -4.297 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.451 -3.242 1.817 1.00 0.00 H new ATOM 347 N ILE A 26 4.582 -4.789 6.776 1.00 0.00 N ATOM 348 CA ILE A 26 4.891 -5.928 7.624 1.00 0.00 C ATOM 349 C ILE A 26 4.687 -7.220 6.831 1.00 0.00 C ATOM 350 O ILE A 26 4.037 -7.215 5.786 1.00 0.00 O ATOM 351 CB ILE A 26 4.079 -5.867 8.920 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.688 -6.473 8.724 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.010 -4.436 9.457 1.00 0.00 C ATOM 354 CD1 ILE A 26 1.968 -6.639 10.064 1.00 0.00 C ATOM 0 H ILE A 26 3.686 -4.848 6.293 1.00 0.00 H new ATOM 0 HA ILE A 26 5.937 -5.903 7.929 1.00 0.00 H new ATOM 0 HB ILE A 26 4.590 -6.469 9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.098 -5.834 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.776 -7.442 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.427 -4.421 10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.018 -4.074 9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.535 -3.792 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.982 -7.072 9.896 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.548 -7.298 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.860 -5.665 10.542 1.00 0.00 H new ATOM 555 N GLY A 42 2.640 -12.210 3.271 1.00 0.00 N ATOM 556 CA GLY A 42 1.675 -11.172 2.949 1.00 0.00 C ATOM 557 C GLY A 42 2.249 -9.782 3.232 1.00 0.00 C ATOM 558 O GLY A 42 3.136 -9.633 4.071 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.393 -11.246 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.767 -11.320 3.534 1.00 0.00 H new ATOM 562 N ILE A 43 1.719 -8.801 2.517 1.00 0.00 N ATOM 563 CA ILE A 43 2.168 -7.429 2.681 1.00 0.00 C ATOM 564 C ILE A 43 1.029 -6.590 3.263 1.00 0.00 C ATOM 565 O ILE A 43 -0.040 -6.487 2.664 1.00 0.00 O ATOM 566 CB ILE A 43 2.720 -6.884 1.362 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.838 -7.780 0.823 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.174 -5.431 1.516 1.00 0.00 C ATOM 569 CD1 ILE A 43 4.854 -8.108 1.919 1.00 0.00 C ATOM 0 H ILE A 43 0.983 -8.929 1.823 1.00 0.00 H new ATOM 0 HA ILE A 43 2.995 -7.382 3.390 1.00 0.00 H new ATOM 0 HB ILE A 43 1.916 -6.894 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.412 -8.703 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.340 -7.282 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.562 -5.068 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.328 -4.816 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.956 -5.373 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.638 -8.746 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.296 -7.185 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.353 -8.628 2.736 1.00 0.00 H new ATOM 581 N PHE A 44 1.296 -6.013 4.425 1.00 0.00 N ATOM 582 CA PHE A 44 0.307 -5.186 5.096 1.00 0.00 C ATOM 583 C PHE A 44 0.939 -3.901 5.634 1.00 0.00 C ATOM 584 O PHE A 44 2.162 -3.769 5.656 1.00 0.00 O ATOM 585 CB PHE A 44 -0.237 -6.003 6.270 1.00 0.00 C ATOM 586 CG PHE A 44 -1.047 -7.232 5.851 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.421 -8.299 5.287 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.393 -7.256 6.043 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.173 -9.439 4.898 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.145 -8.396 5.654 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.519 -9.464 5.090 1.00 0.00 C ATOM 0 H PHE A 44 2.184 -6.102 4.920 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.480 -4.906 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.598 -6.326 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.865 -5.360 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.648 -8.280 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.890 -6.408 6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.676 -10.286 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.214 -8.415 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.091 -10.331 4.795 1.00 0.00 H new ATOM 601 N VAL A 45 0.077 -2.987 6.054 1.00 0.00 N ATOM 602 CA VAL A 45 0.536 -1.717 6.590 1.00 0.00 C ATOM 603 C VAL A 45 0.332 -1.704 8.107 1.00 0.00 C ATOM 604 O VAL A 45 -0.770 -1.961 8.590 1.00 0.00 O ATOM 605 CB VAL A 45 -0.175 -0.562 5.882 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.116 0.770 6.577 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.212 -0.505 4.403 1.00 0.00 C ATOM 0 H VAL A 45 -0.936 -3.101 6.034 1.00 0.00 H new ATOM 0 HA VAL A 45 1.602 -1.588 6.404 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.248 -0.743 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.401 1.574 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.232 0.726 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.189 0.960 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.307 0.325 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.289 -0.360 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.070 -1.439 3.917 1.00 0.00 H new ATOM 617 N SER A 46 1.411 -1.404 8.815 1.00 0.00 N ATOM 618 CA SER A 46 1.363 -1.355 10.266 1.00 0.00 C ATOM 619 C SER A 46 1.781 0.033 10.757 1.00 0.00 C ATOM 620 O SER A 46 1.695 0.326 11.948 1.00 0.00 O ATOM 621 CB SER A 46 2.262 -2.428 10.883 1.00 0.00 C ATOM 622 OG SER A 46 2.236 -2.393 12.307 1.00 0.00 O ATOM 0 H SER A 46 2.323 -1.193 8.411 1.00 0.00 H new ATOM 0 HA SER A 46 0.338 -1.552 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.941 -3.411 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.285 -2.287 10.536 1.00 0.00 H new ATOM 0 HG SER A 46 2.050 -1.479 12.608 1.00 0.00 H new ATOM 628 N LYS A 47 2.225 0.850 9.813 1.00 0.00 N ATOM 629 CA LYS A 47 2.656 2.200 10.134 1.00 0.00 C ATOM 630 C LYS A 47 2.286 3.137 8.982 1.00 0.00 C ATOM 631 O LYS A 47 2.457 2.789 7.815 1.00 0.00 O ATOM 632 CB LYS A 47 4.144 2.218 10.488 1.00 0.00 C ATOM 633 CG LYS A 47 4.452 3.309 11.514 1.00 0.00 C ATOM 634 CD LYS A 47 5.729 4.067 11.144 1.00 0.00 C ATOM 635 CE LYS A 47 6.146 5.019 12.266 1.00 0.00 C ATOM 636 NZ LYS A 47 6.449 4.263 13.502 1.00 0.00 N ATOM 0 H LYS A 47 2.296 0.603 8.826 1.00 0.00 H new ATOM 0 HA LYS A 47 2.137 2.564 11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.438 1.247 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.734 2.385 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.615 4.005 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.563 2.863 12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.533 3.358 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.568 4.631 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.021 5.591 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.348 5.736 12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.038 4.846 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.562 4.020 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.961 3.391 13.259 1.00 0.00 H new ATOM 650 N ILE A 48 1.786 4.307 9.351 1.00 0.00 N ATOM 651 CA ILE A 48 1.391 5.297 8.363 1.00 0.00 C ATOM 652 C ILE A 48 1.655 6.698 8.917 1.00 0.00 C ATOM 653 O ILE A 48 1.003 7.126 9.869 1.00 0.00 O ATOM 654 CB ILE A 48 -0.058 5.070 7.928 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.157 3.913 6.931 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.672 6.358 7.374 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.489 3.949 6.179 1.00 0.00 C ATOM 0 H ILE A 48 1.645 4.592 10.320 1.00 0.00 H new ATOM 0 HA ILE A 48 1.991 5.194 7.459 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.638 4.788 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.667 3.969 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.059 2.964 7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.702 6.169 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.655 7.130 8.144 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.097 6.694 6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.533 3.116 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.311 3.868 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.573 4.889 5.633 1.00 0.00 H new ATOM 669 N VAL A 49 2.611 7.375 8.298 1.00 0.00 N ATOM 670 CA VAL A 49 2.969 8.719 8.717 1.00 0.00 C ATOM 671 C VAL A 49 1.854 9.687 8.316 1.00 0.00 C ATOM 672 O VAL A 49 1.168 9.471 7.318 1.00 0.00 O ATOM 673 CB VAL A 49 4.331 9.103 8.137 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.296 7.916 8.171 1.00 0.00 C ATOM 675 CG2 VAL A 49 4.187 9.652 6.716 1.00 0.00 C ATOM 0 H VAL A 49 3.149 7.017 7.509 1.00 0.00 H new ATOM 0 HA VAL A 49 3.068 8.767 9.801 1.00 0.00 H new ATOM 0 HB VAL A 49 4.750 9.893 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.257 8.216 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.435 7.589 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.885 7.096 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.170 9.917 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.737 8.893 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.552 10.537 6.731 1.00 0.00 H new ATOM 685 N ASP A 50 1.707 10.734 9.115 1.00 0.00 N ATOM 686 CA ASP A 50 0.687 11.736 8.856 1.00 0.00 C ATOM 687 C ASP A 50 1.113 12.594 7.663 1.00 0.00 C ATOM 688 O ASP A 50 0.833 12.251 6.516 1.00 0.00 O ATOM 689 CB ASP A 50 0.504 12.660 10.062 1.00 0.00 C ATOM 690 CG ASP A 50 -0.488 12.161 11.114 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.192 11.174 10.808 1.00 0.00 O ATOM 692 OD2 ASP A 50 -0.520 12.777 12.201 1.00 0.00 O ATOM 0 H ASP A 50 2.277 10.910 9.942 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.251 11.219 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.473 12.806 10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.173 13.636 9.706 1.00 0.00 H new ATOM 697 N SER A 51 1.783 13.694 7.975 1.00 0.00 N ATOM 698 CA SER A 51 2.250 14.604 6.944 1.00 0.00 C ATOM 699 C SER A 51 2.436 13.850 5.625 1.00 0.00 C ATOM 700 O SER A 51 1.938 14.278 4.586 1.00 0.00 O ATOM 701 CB SER A 51 3.559 15.280 7.357 1.00 0.00 C ATOM 702 OG SER A 51 3.337 16.556 7.950 1.00 0.00 O ATOM 0 H SER A 51 2.013 13.975 8.928 1.00 0.00 H new ATOM 0 HA SER A 51 1.498 15.381 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.091 14.640 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.200 15.393 6.483 1.00 0.00 H new ATOM 0 HG SER A 51 4.197 16.954 8.201 1.00 0.00 H new ATOM 708 N GLY A 52 3.153 12.739 5.712 1.00 0.00 N ATOM 709 CA GLY A 52 3.410 11.921 4.539 1.00 0.00 C ATOM 710 C GLY A 52 2.230 11.970 3.567 1.00 0.00 C ATOM 711 O GLY A 52 1.076 12.033 3.988 1.00 0.00 O ATOM 0 H GLY A 52 3.564 12.386 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.313 12.271 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.593 10.890 4.843 1.00 0.00 H new ATOM 715 N PRO A 53 2.568 11.938 2.250 1.00 0.00 N ATOM 716 CA PRO A 53 1.549 11.978 1.214 1.00 0.00 C ATOM 717 C PRO A 53 0.832 10.632 1.098 1.00 0.00 C ATOM 718 O PRO A 53 -0.108 10.490 0.318 1.00 0.00 O ATOM 719 CB PRO A 53 2.292 12.367 -0.053 1.00 0.00 C ATOM 720 CG PRO A 53 3.759 12.077 0.218 1.00 0.00 C ATOM 721 CD PRO A 53 3.924 11.864 1.714 1.00 0.00 C ATOM 0 HA PRO A 53 0.756 12.694 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.932 11.795 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.139 13.420 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.081 11.192 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.381 12.906 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.383 10.899 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.566 12.627 2.154 1.00 0.00 H new ATOM 729 N ALA A 54 1.304 9.677 1.886 1.00 0.00 N ATOM 730 CA ALA A 54 0.720 8.346 1.881 1.00 0.00 C ATOM 731 C ALA A 54 -0.494 8.324 2.813 1.00 0.00 C ATOM 732 O ALA A 54 -1.364 7.463 2.684 1.00 0.00 O ATOM 733 CB ALA A 54 1.782 7.321 2.283 1.00 0.00 C ATOM 0 H ALA A 54 2.084 9.798 2.532 1.00 0.00 H new ATOM 0 HA ALA A 54 0.374 8.082 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.344 6.323 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.609 7.357 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.150 7.552 3.283 1.00 0.00 H new ATOM 739 N ALA A 55 -0.514 9.280 3.730 1.00 0.00 N ATOM 740 CA ALA A 55 -1.606 9.380 4.682 1.00 0.00 C ATOM 741 C ALA A 55 -2.673 10.328 4.130 1.00 0.00 C ATOM 742 O ALA A 55 -3.817 9.927 3.920 1.00 0.00 O ATOM 743 CB ALA A 55 -1.063 9.840 6.036 1.00 0.00 C ATOM 0 H ALA A 55 0.209 9.992 3.834 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.074 8.407 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.883 9.915 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.331 9.119 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.588 10.815 5.925 1.00 0.00 H new ATOM 749 N LYS A 56 -2.260 11.568 3.910 1.00 0.00 N ATOM 750 CA LYS A 56 -3.166 12.576 3.387 1.00 0.00 C ATOM 751 C LYS A 56 -3.839 12.043 2.121 1.00 0.00 C ATOM 752 O LYS A 56 -4.962 11.543 2.174 1.00 0.00 O ATOM 753 CB LYS A 56 -2.430 13.902 3.180 1.00 0.00 C ATOM 754 CG LYS A 56 -1.029 13.668 2.612 1.00 0.00 C ATOM 755 CD LYS A 56 -0.801 14.507 1.353 1.00 0.00 C ATOM 756 CE LYS A 56 0.372 15.471 1.541 1.00 0.00 C ATOM 757 NZ LYS A 56 0.719 16.122 0.258 1.00 0.00 N ATOM 0 H LYS A 56 -1.310 11.897 4.084 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.958 12.786 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.000 14.537 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.358 14.434 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.281 13.922 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.899 12.611 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.605 13.851 0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.705 15.070 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.113 16.228 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.236 14.930 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.517 16.773 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.986 15.397 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.102 16.654 -0.094 1.00 0.00 H new ATOM 771 N GLU A 57 -3.125 12.167 1.012 1.00 0.00 N ATOM 772 CA GLU A 57 -3.640 11.703 -0.266 1.00 0.00 C ATOM 773 C GLU A 57 -3.584 10.176 -0.337 1.00 0.00 C ATOM 774 O GLU A 57 -4.608 9.523 -0.533 1.00 0.00 O ATOM 775 CB GLU A 57 -2.871 12.335 -1.428 1.00 0.00 C ATOM 776 CG GLU A 57 -3.682 13.461 -2.073 1.00 0.00 C ATOM 777 CD GLU A 57 -4.378 12.976 -3.346 1.00 0.00 C ATOM 778 OE1 GLU A 57 -4.698 11.769 -3.393 1.00 0.00 O ATOM 779 OE2 GLU A 57 -4.576 13.824 -4.243 1.00 0.00 O ATOM 0 H GLU A 57 -2.194 12.582 0.971 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.681 12.013 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.919 12.727 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.641 11.574 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.425 13.830 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.025 14.298 -2.310 1.00 0.00 H new ATOM 786 N GLY A 58 -2.379 9.651 -0.175 1.00 0.00 N ATOM 787 CA GLY A 58 -2.176 8.213 -0.219 1.00 0.00 C ATOM 788 C GLY A 58 -3.511 7.469 -0.153 1.00 0.00 C ATOM 789 O GLY A 58 -3.906 6.808 -1.112 1.00 0.00 O ATOM 0 H GLY A 58 -1.532 10.196 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.651 7.944 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.543 7.906 0.613 1.00 0.00 H new ATOM 793 N GLY A 59 -4.170 7.602 0.989 1.00 0.00 N ATOM 794 CA GLY A 59 -5.453 6.951 1.193 1.00 0.00 C ATOM 795 C GLY A 59 -5.283 5.630 1.947 1.00 0.00 C ATOM 796 O GLY A 59 -6.264 4.946 2.235 1.00 0.00 O ATOM 0 H GLY A 59 -3.839 8.151 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.115 7.611 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.928 6.766 0.230 1.00 0.00 H new ATOM 800 N LEU A 60 -4.032 5.311 2.243 1.00 0.00 N ATOM 801 CA LEU A 60 -3.721 4.084 2.957 1.00 0.00 C ATOM 802 C LEU A 60 -4.329 4.148 4.360 1.00 0.00 C ATOM 803 O LEU A 60 -4.779 5.206 4.798 1.00 0.00 O ATOM 804 CB LEU A 60 -2.213 3.828 2.951 1.00 0.00 C ATOM 805 CG LEU A 60 -1.782 2.361 2.990 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.578 1.528 1.983 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.272 2.227 2.779 1.00 0.00 C ATOM 0 H LEU A 60 -3.221 5.881 2.001 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.168 3.226 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.790 4.287 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.774 4.338 3.809 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.005 1.966 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.252 0.489 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.640 1.586 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.410 1.914 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.008 1.174 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.002 2.645 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.255 2.767 3.566 1.00 0.00 H new ATOM 819 N GLN A 61 -4.322 3.003 5.026 1.00 0.00 N ATOM 820 CA GLN A 61 -4.866 2.915 6.370 1.00 0.00 C ATOM 821 C GLN A 61 -4.161 1.809 7.158 1.00 0.00 C ATOM 822 O GLN A 61 -3.988 0.699 6.656 1.00 0.00 O ATOM 823 CB GLN A 61 -6.378 2.684 6.335 1.00 0.00 C ATOM 824 CG GLN A 61 -7.116 3.762 7.132 1.00 0.00 C ATOM 825 CD GLN A 61 -8.504 4.026 6.543 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.690 4.868 5.680 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.463 3.262 7.057 1.00 0.00 N ATOM 0 H GLN A 61 -3.948 2.128 4.659 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.687 3.864 6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.726 2.688 5.302 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.609 1.701 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.212 3.449 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.534 4.684 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.237 2.576 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.424 3.362 6.731 1.00 0.00 H new ATOM 836 N ILE A 62 -3.773 2.151 8.378 1.00 0.00 N ATOM 837 CA ILE A 62 -3.090 1.201 9.239 1.00 0.00 C ATOM 838 C ILE A 62 -3.846 -0.130 9.224 1.00 0.00 C ATOM 839 O ILE A 62 -5.073 -0.151 9.309 1.00 0.00 O ATOM 840 CB ILE A 62 -2.904 1.786 10.640 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.791 2.836 10.652 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.659 0.680 11.669 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.414 2.175 10.749 1.00 0.00 C ATOM 0 H ILE A 62 -3.919 3.073 8.790 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.086 1.002 8.865 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.827 2.291 10.924 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.846 3.439 9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.934 3.513 11.495 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.530 1.124 12.656 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.512 0.002 11.684 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.760 0.126 11.400 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.359 2.944 10.756 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.354 1.592 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.265 1.518 9.892 1.00 0.00 H new ATOM 855 N HIS A 63 -3.082 -1.207 9.116 1.00 0.00 N ATOM 856 CA HIS A 63 -3.665 -2.538 9.088 1.00 0.00 C ATOM 857 C HIS A 63 -4.330 -2.779 7.732 1.00 0.00 C ATOM 858 O HIS A 63 -5.531 -3.036 7.663 1.00 0.00 O ATOM 859 CB HIS A 63 -4.625 -2.735 10.263 1.00 0.00 C ATOM 860 CG HIS A 63 -4.032 -2.383 11.607 1.00 0.00 C ATOM 861 ND1 HIS A 63 -4.450 -1.505 12.563 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -2.872 -2.963 12.089 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.593 -1.547 13.575 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -2.613 -2.450 13.283 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.065 -1.185 9.047 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.880 -3.285 9.206 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.514 -2.126 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.951 -3.775 10.282 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.279 -3.707 11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.660 -0.963 14.481 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.820 -2.688 13.879 1.00 0.00 H new ATOM 872 N ASP A 64 -3.521 -2.687 6.687 1.00 0.00 N ATOM 873 CA ASP A 64 -4.016 -2.892 5.337 1.00 0.00 C ATOM 874 C ASP A 64 -3.308 -4.099 4.716 1.00 0.00 C ATOM 875 O ASP A 64 -2.387 -4.656 5.312 1.00 0.00 O ATOM 876 CB ASP A 64 -3.733 -1.674 4.455 1.00 0.00 C ATOM 877 CG ASP A 64 -2.388 -1.701 3.727 1.00 0.00 C ATOM 878 OD1 ASP A 64 -1.491 -2.420 4.218 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.287 -1.001 2.696 1.00 0.00 O ATOM 0 H ASP A 64 -2.526 -2.473 6.748 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.092 -3.054 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.528 -1.588 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.776 -0.778 5.074 1.00 0.00 H new ATOM 884 N ARG A 65 -3.765 -4.466 3.528 1.00 0.00 N ATOM 885 CA ARG A 65 -3.187 -5.596 2.821 1.00 0.00 C ATOM 886 C ARG A 65 -2.933 -5.232 1.357 1.00 0.00 C ATOM 887 O ARG A 65 -3.745 -5.544 0.486 1.00 0.00 O ATOM 888 CB ARG A 65 -4.109 -6.816 2.884 1.00 0.00 C ATOM 889 CG ARG A 65 -3.383 -8.077 2.410 1.00 0.00 C ATOM 890 CD ARG A 65 -4.344 -9.265 2.331 1.00 0.00 C ATOM 891 NE ARG A 65 -4.031 -10.091 1.144 1.00 0.00 N ATOM 892 CZ ARG A 65 -4.904 -10.917 0.552 1.00 0.00 C ATOM 893 NH1 ARG A 65 -6.149 -11.032 1.033 1.00 0.00 N ATOM 894 NH2 ARG A 65 -4.532 -11.629 -0.520 1.00 0.00 N ATOM 0 H ARG A 65 -4.529 -4.001 3.037 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.243 -5.843 3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.462 -6.957 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.989 -6.644 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.938 -7.899 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.567 -8.310 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.265 -9.868 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.372 -8.908 2.275 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.092 -10.028 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.432 -10.491 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.814 -11.661 0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.584 -11.542 -0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.197 -12.258 -0.970 1.00 0.00 H new ATOM 908 N ILE A 66 -1.803 -4.579 1.130 1.00 0.00 N ATOM 909 CA ILE A 66 -1.433 -4.169 -0.214 1.00 0.00 C ATOM 910 C ILE A 66 -1.503 -5.379 -1.149 1.00 0.00 C ATOM 911 O ILE A 66 -0.955 -6.436 -0.843 1.00 0.00 O ATOM 912 CB ILE A 66 -0.069 -3.476 -0.206 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.038 -2.489 0.958 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.215 -2.808 -1.553 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.114 -1.436 0.686 1.00 0.00 C ATOM 0 H ILE A 66 -1.131 -4.324 1.854 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.138 -3.430 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 66 0.699 -4.235 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.923 -2.000 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.275 -3.027 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.191 -2.323 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.211 -3.561 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.554 -2.063 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.170 -0.747 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.078 -1.927 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.862 -0.883 -0.219 1.00 0.00 H new ATOM 927 N ILE A 67 -2.182 -5.182 -2.269 1.00 0.00 N ATOM 928 CA ILE A 67 -2.331 -6.243 -3.250 1.00 0.00 C ATOM 929 C ILE A 67 -1.402 -5.971 -4.435 1.00 0.00 C ATOM 930 O ILE A 67 -0.763 -6.886 -4.951 1.00 0.00 O ATOM 931 CB ILE A 67 -3.800 -6.406 -3.646 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.724 -6.020 -2.489 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.078 -7.822 -4.154 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.922 -7.194 -1.530 1.00 0.00 C ATOM 0 H ILE A 67 -2.635 -4.303 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.032 -7.200 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.010 -5.723 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.302 -5.172 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.689 -5.700 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.129 -7.910 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.457 -8.024 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.846 -8.542 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.583 -6.892 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.367 -8.032 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.958 -7.496 -1.121 1.00 0.00 H new ATOM 946 N GLU A 68 -1.356 -4.707 -4.832 1.00 0.00 N ATOM 947 CA GLU A 68 -0.516 -4.303 -5.946 1.00 0.00 C ATOM 948 C GLU A 68 0.003 -2.879 -5.730 1.00 0.00 C ATOM 949 O GLU A 68 -0.658 -2.065 -5.088 1.00 0.00 O ATOM 950 CB GLU A 68 -1.271 -4.416 -7.272 1.00 0.00 C ATOM 951 CG GLU A 68 -0.572 -5.393 -8.219 1.00 0.00 C ATOM 952 CD GLU A 68 -1.313 -6.731 -8.271 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.647 -7.237 -7.179 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.528 -7.216 -9.403 1.00 0.00 O ATOM 0 H GLU A 68 -1.887 -3.950 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 68 0.339 -4.978 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.291 -4.751 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.338 -3.434 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.521 -4.962 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.454 -5.554 -7.889 1.00 0.00 H new ATOM 961 N VAL A 69 1.181 -2.623 -6.280 1.00 0.00 N ATOM 962 CA VAL A 69 1.796 -1.313 -6.155 1.00 0.00 C ATOM 963 C VAL A 69 2.432 -0.924 -7.491 1.00 0.00 C ATOM 964 O VAL A 69 3.368 -1.577 -7.950 1.00 0.00 O ATOM 965 CB VAL A 69 2.793 -1.310 -4.995 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.216 -1.566 -5.495 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.715 0.000 -4.208 1.00 0.00 C ATOM 0 H VAL A 69 1.726 -3.301 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 69 1.044 -0.559 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 69 2.524 -2.122 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.905 -1.559 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.259 -2.536 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.499 -0.786 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.434 -0.024 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.946 0.836 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.710 0.123 -3.805 1.00 0.00 H new ATOM 977 N ASN A 70 1.899 0.138 -8.078 1.00 0.00 N ATOM 978 CA ASN A 70 2.404 0.621 -9.352 1.00 0.00 C ATOM 979 C ASN A 70 2.205 -0.459 -10.417 1.00 0.00 C ATOM 980 O ASN A 70 2.780 -0.379 -11.501 1.00 0.00 O ATOM 981 CB ASN A 70 3.899 0.935 -9.269 1.00 0.00 C ATOM 982 CG ASN A 70 4.253 2.149 -10.131 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.429 3.271 -9.438 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.360 2.072 -11.343 1.00 0.00 N flip ATOM 0 H ASN A 70 1.123 0.677 -7.695 1.00 0.00 H new ATOM 0 HA ASN A 70 1.859 1.530 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.177 1.127 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.475 0.070 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.211 1.179 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.598 2.901 -11.888 1.00 0.00 H new ATOM 991 N GLY A 71 1.389 -1.443 -10.071 1.00 0.00 N ATOM 992 CA GLY A 71 1.107 -2.538 -10.984 1.00 0.00 C ATOM 993 C GLY A 71 1.940 -3.773 -10.632 1.00 0.00 C ATOM 994 O GLY A 71 1.858 -4.795 -11.312 1.00 0.00 O ATOM 0 H GLY A 71 0.914 -1.505 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.046 -2.786 -10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.323 -2.229 -12.007 1.00 0.00 H new ATOM 998 N ARG A 72 2.722 -3.637 -9.571 1.00 0.00 N ATOM 999 CA ARG A 72 3.568 -4.729 -9.122 1.00 0.00 C ATOM 1000 C ARG A 72 2.845 -5.559 -8.059 1.00 0.00 C ATOM 1001 O ARG A 72 2.404 -5.024 -7.043 1.00 0.00 O ATOM 1002 CB ARG A 72 4.883 -4.204 -8.541 1.00 0.00 C ATOM 1003 CG ARG A 72 6.085 -4.839 -9.243 1.00 0.00 C ATOM 1004 CD ARG A 72 7.314 -4.841 -8.332 1.00 0.00 C ATOM 1005 NE ARG A 72 8.549 -4.823 -9.148 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.085 -5.909 -9.722 1.00 0.00 C ATOM 1007 NH1 ARG A 72 8.499 -7.104 -9.573 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.208 -5.798 -10.445 1.00 0.00 N ATOM 0 H ARG A 72 2.787 -2.788 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 72 3.789 -5.354 -9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.925 -3.120 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.925 -4.420 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.842 -5.861 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.307 -4.291 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.290 -3.972 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.303 -5.725 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 72 9.021 -3.929 -9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.644 -7.188 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.907 -7.930 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.654 -4.888 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.617 -6.624 -10.882 1.00 0.00 H new ATOM 1022 N ASP A 73 2.745 -6.852 -8.330 1.00 0.00 N ATOM 1023 CA ASP A 73 2.083 -7.760 -7.410 1.00 0.00 C ATOM 1024 C ASP A 73 2.977 -7.984 -6.188 1.00 0.00 C ATOM 1025 O ASP A 73 4.119 -8.420 -6.322 1.00 0.00 O ATOM 1026 CB ASP A 73 1.829 -9.120 -8.065 1.00 0.00 C ATOM 1027 CG ASP A 73 0.489 -9.246 -8.794 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -0.499 -9.590 -8.110 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.484 -8.995 -10.018 1.00 0.00 O ATOM 0 H ASP A 73 3.112 -7.292 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 73 1.131 -7.314 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.632 -9.320 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.882 -9.892 -7.297 1.00 0.00 H new ATOM 1034 N LEU A 74 2.423 -7.675 -5.025 1.00 0.00 N ATOM 1035 CA LEU A 74 3.156 -7.837 -3.781 1.00 0.00 C ATOM 1036 C LEU A 74 2.323 -8.675 -2.809 1.00 0.00 C ATOM 1037 O LEU A 74 2.707 -8.857 -1.654 1.00 0.00 O ATOM 1038 CB LEU A 74 3.568 -6.474 -3.221 1.00 0.00 C ATOM 1039 CG LEU A 74 4.153 -5.484 -4.229 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.486 -4.150 -3.558 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.365 -6.083 -4.946 1.00 0.00 C ATOM 0 H LEU A 74 1.475 -7.313 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 74 4.086 -8.379 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.695 -6.016 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.302 -6.635 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 74 3.397 -5.283 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.900 -3.464 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.579 -3.720 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.216 -4.314 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.762 -5.358 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.134 -6.332 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.064 -6.986 -5.478 1.00 0.00 H new ATOM 1053 N SER A 75 1.199 -9.164 -3.311 1.00 0.00 N ATOM 1054 CA SER A 75 0.309 -9.978 -2.502 1.00 0.00 C ATOM 1055 C SER A 75 1.074 -11.169 -1.919 1.00 0.00 C ATOM 1056 O SER A 75 0.860 -11.545 -0.768 1.00 0.00 O ATOM 1057 CB SER A 75 -0.888 -10.466 -3.320 1.00 0.00 C ATOM 1058 OG SER A 75 -0.501 -10.921 -4.613 1.00 0.00 O ATOM 0 H SER A 75 0.884 -9.012 -4.269 1.00 0.00 H new ATOM 0 HA SER A 75 -0.070 -9.362 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.387 -11.274 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.611 -9.657 -3.422 1.00 0.00 H new ATOM 0 HG SER A 75 -1.293 -11.226 -5.103 1.00 0.00 H new ATOM 1064 N ARG A 76 1.950 -11.728 -2.741 1.00 0.00 N ATOM 1065 CA ARG A 76 2.747 -12.868 -2.322 1.00 0.00 C ATOM 1066 C ARG A 76 4.223 -12.475 -2.222 1.00 0.00 C ATOM 1067 O ARG A 76 5.102 -13.335 -2.262 1.00 0.00 O ATOM 1068 CB ARG A 76 2.602 -14.033 -3.304 1.00 0.00 C ATOM 1069 CG ARG A 76 2.888 -13.581 -4.737 1.00 0.00 C ATOM 1070 CD ARG A 76 2.908 -14.774 -5.695 1.00 0.00 C ATOM 1071 NE ARG A 76 2.889 -14.299 -7.096 1.00 0.00 N ATOM 1072 CZ ARG A 76 1.810 -13.781 -7.699 1.00 0.00 C ATOM 1073 NH1 ARG A 76 0.656 -13.668 -7.026 1.00 0.00 N ATOM 1074 NH2 ARG A 76 1.885 -13.375 -8.974 1.00 0.00 N ATOM 0 H ARG A 76 2.125 -11.413 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 76 2.384 -13.185 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.288 -14.834 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.593 -14.442 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.128 -12.867 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.847 -13.064 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.799 -15.377 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.047 -15.415 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 76 3.751 -14.370 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.599 -13.976 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.165 -13.274 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.763 -13.460 -9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.064 -12.981 -9.433 1.00 0.00 H new ATOM 1088 N ALA A 77 4.449 -11.176 -2.095 1.00 0.00 N ATOM 1089 CA ALA A 77 5.803 -10.659 -1.989 1.00 0.00 C ATOM 1090 C ALA A 77 6.166 -10.491 -0.512 1.00 0.00 C ATOM 1091 O ALA A 77 5.341 -10.740 0.366 1.00 0.00 O ATOM 1092 CB ALA A 77 5.911 -9.347 -2.769 1.00 0.00 C ATOM 0 H ALA A 77 3.717 -10.466 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 77 6.516 -11.358 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.927 -8.959 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.672 -9.526 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.212 -8.620 -2.357 1.00 0.00 H new ATOM 1098 N THR A 78 7.400 -10.068 -0.284 1.00 0.00 N ATOM 1099 CA THR A 78 7.883 -9.864 1.072 1.00 0.00 C ATOM 1100 C THR A 78 8.246 -8.394 1.292 1.00 0.00 C ATOM 1101 O THR A 78 8.281 -7.611 0.345 1.00 0.00 O ATOM 1102 CB THR A 78 9.053 -10.821 1.307 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.183 -10.119 0.797 1.00 0.00 O ATOM 1104 CG2 THR A 78 8.968 -12.075 0.434 1.00 0.00 C ATOM 0 H THR A 78 8.081 -9.861 -1.015 1.00 0.00 H new ATOM 0 HA THR A 78 7.109 -10.089 1.806 1.00 0.00 H new ATOM 0 HB THR A 78 9.079 -11.111 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.987 -10.667 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.822 -12.720 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.046 -12.612 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.976 -11.788 -0.617 1.00 0.00 H new ATOM 1112 N HIS A 79 8.508 -8.065 2.549 1.00 0.00 N ATOM 1113 CA HIS A 79 8.868 -6.703 2.906 1.00 0.00 C ATOM 1114 C HIS A 79 10.012 -6.223 2.010 1.00 0.00 C ATOM 1115 O HIS A 79 9.997 -5.089 1.532 1.00 0.00 O ATOM 1116 CB HIS A 79 9.199 -6.602 4.396 1.00 0.00 C ATOM 1117 CG HIS A 79 9.451 -5.192 4.874 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.588 -4.234 5.319 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.716 -4.633 4.928 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.288 -3.149 5.629 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.608 -3.395 5.387 1.00 0.00 N flip ATOM 0 H HIS A 79 8.478 -8.718 3.332 1.00 0.00 H new ATOM 0 HA HIS A 79 8.018 -6.042 2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.376 -7.028 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.081 -7.208 4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.636 -5.123 4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.880 -2.224 6.010 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.377 -2.741 5.534 1.00 0.00 H new ATOM 1129 N ASP A 80 10.976 -7.109 1.810 1.00 0.00 N ATOM 1130 CA ASP A 80 12.125 -6.790 0.980 1.00 0.00 C ATOM 1131 C ASP A 80 11.644 -6.364 -0.409 1.00 0.00 C ATOM 1132 O ASP A 80 12.029 -5.307 -0.906 1.00 0.00 O ATOM 1133 CB ASP A 80 13.038 -8.007 0.812 1.00 0.00 C ATOM 1134 CG ASP A 80 14.425 -7.866 1.440 1.00 0.00 C ATOM 1135 OD1 ASP A 80 15.173 -6.979 0.974 1.00 0.00 O ATOM 1136 OD2 ASP A 80 14.707 -8.648 2.374 1.00 0.00 O ATOM 0 H ASP A 80 10.985 -8.048 2.208 1.00 0.00 H new ATOM 0 HA ASP A 80 12.679 -5.987 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.545 -8.875 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.157 -8.209 -0.252 1.00 0.00 H new ATOM 1141 N GLN A 81 10.809 -7.210 -0.995 1.00 0.00 N ATOM 1142 CA GLN A 81 10.272 -6.934 -2.317 1.00 0.00 C ATOM 1143 C GLN A 81 9.361 -5.706 -2.274 1.00 0.00 C ATOM 1144 O GLN A 81 9.516 -4.785 -3.075 1.00 0.00 O ATOM 1145 CB GLN A 81 9.526 -8.150 -2.870 1.00 0.00 C ATOM 1146 CG GLN A 81 10.496 -9.289 -3.192 1.00 0.00 C ATOM 1147 CD GLN A 81 9.895 -10.246 -4.223 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.889 -9.991 -5.416 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.391 -11.360 -3.698 1.00 0.00 N ATOM 0 H GLN A 81 10.492 -8.086 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 81 11.104 -6.722 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.789 -8.490 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.980 -7.868 -3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.431 -8.878 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.736 -9.835 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.429 -11.511 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.967 -12.063 -4.304 1.00 0.00 H new ATOM 1158 N ALA A 82 8.431 -5.731 -1.330 1.00 0.00 N ATOM 1159 CA ALA A 82 7.495 -4.630 -1.172 1.00 0.00 C ATOM 1160 C ALA A 82 8.268 -3.310 -1.141 1.00 0.00 C ATOM 1161 O ALA A 82 7.973 -2.396 -1.910 1.00 0.00 O ATOM 1162 CB ALA A 82 6.661 -4.847 0.092 1.00 0.00 C ATOM 0 H ALA A 82 8.306 -6.496 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 82 6.805 -4.588 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.959 -4.022 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.109 -5.783 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.320 -4.891 0.959 1.00 0.00 H new ATOM 1168 N VAL A 83 9.242 -3.252 -0.245 1.00 0.00 N ATOM 1169 CA VAL A 83 10.059 -2.059 -0.103 1.00 0.00 C ATOM 1170 C VAL A 83 10.624 -1.669 -1.470 1.00 0.00 C ATOM 1171 O VAL A 83 10.418 -0.548 -1.934 1.00 0.00 O ATOM 1172 CB VAL A 83 11.145 -2.290 0.949 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.267 -1.258 0.815 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.553 -2.276 2.360 1.00 0.00 C ATOM 0 H VAL A 83 9.484 -4.012 0.390 1.00 0.00 H new ATOM 0 HA VAL A 83 9.456 -1.223 0.251 1.00 0.00 H new ATOM 0 HB VAL A 83 11.575 -3.276 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.026 -1.445 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.717 -1.336 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.858 -0.257 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.346 -2.443 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.084 -1.310 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.807 -3.065 2.449 1.00 0.00 H new ATOM 1184 N GLU A 84 11.326 -2.615 -2.077 1.00 0.00 N ATOM 1185 CA GLU A 84 11.923 -2.384 -3.381 1.00 0.00 C ATOM 1186 C GLU A 84 10.876 -1.836 -4.354 1.00 0.00 C ATOM 1187 O GLU A 84 11.160 -0.922 -5.127 1.00 0.00 O ATOM 1188 CB GLU A 84 12.562 -3.663 -3.926 1.00 0.00 C ATOM 1189 CG GLU A 84 13.057 -3.461 -5.360 1.00 0.00 C ATOM 1190 CD GLU A 84 14.357 -4.229 -5.604 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.414 -3.701 -5.194 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.266 -5.327 -6.195 1.00 0.00 O ATOM 0 H GLU A 84 11.495 -3.543 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 84 12.713 -1.641 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.395 -3.958 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.837 -4.476 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.294 -3.797 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.217 -2.399 -5.547 1.00 0.00 H new ATOM 1199 N ALA A 85 9.688 -2.418 -4.285 1.00 0.00 N ATOM 1200 CA ALA A 85 8.598 -2.000 -5.149 1.00 0.00 C ATOM 1201 C ALA A 85 8.349 -0.502 -4.960 1.00 0.00 C ATOM 1202 O ALA A 85 8.354 0.259 -5.927 1.00 0.00 O ATOM 1203 CB ALA A 85 7.356 -2.840 -4.848 1.00 0.00 C ATOM 0 H ALA A 85 9.456 -3.176 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 85 8.855 -2.162 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.538 -2.526 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.577 -3.892 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.067 -2.701 -3.806 1.00 0.00 H new ATOM 1209 N PHE A 86 8.135 -0.124 -3.709 1.00 0.00 N ATOM 1210 CA PHE A 86 7.884 1.269 -3.380 1.00 0.00 C ATOM 1211 C PHE A 86 9.140 2.117 -3.590 1.00 0.00 C ATOM 1212 O PHE A 86 9.049 3.320 -3.828 1.00 0.00 O ATOM 1213 CB PHE A 86 7.491 1.317 -1.902 1.00 0.00 C ATOM 1214 CG PHE A 86 6.051 0.881 -1.627 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.016 1.688 -1.987 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.805 -0.311 -1.022 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.679 1.284 -1.731 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.468 -0.715 -0.766 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.433 0.091 -1.126 1.00 0.00 C ATOM 0 H PHE A 86 8.130 -0.758 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 86 7.098 1.667 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.168 0.677 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.629 2.333 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.211 2.635 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.627 -0.951 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.857 1.924 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.273 -1.662 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.416 -0.216 -0.931 1.00 0.00 H new ATOM 1229 N LYS A 87 10.284 1.456 -3.493 1.00 0.00 N ATOM 1230 CA LYS A 87 11.558 2.133 -3.669 1.00 0.00 C ATOM 1231 C LYS A 87 11.765 2.442 -5.153 1.00 0.00 C ATOM 1232 O LYS A 87 12.304 3.492 -5.503 1.00 0.00 O ATOM 1233 CB LYS A 87 12.691 1.315 -3.047 1.00 0.00 C ATOM 1234 CG LYS A 87 13.597 2.198 -2.187 1.00 0.00 C ATOM 1235 CD LYS A 87 15.012 1.621 -2.110 1.00 0.00 C ATOM 1236 CE LYS A 87 15.550 1.678 -0.679 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.628 2.687 -0.571 1.00 0.00 N ATOM 0 H LYS A 87 10.356 0.458 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 87 11.559 3.087 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.273 0.514 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.279 0.843 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.633 3.204 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.180 2.284 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.007 0.589 -2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.673 2.179 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.742 1.925 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.930 0.699 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.982 2.713 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.405 2.435 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.255 3.623 -0.829 1.00 0.00 H new ATOM 1251 N THR A 88 11.328 1.510 -5.986 1.00 0.00 N ATOM 1252 CA THR A 88 11.459 1.669 -7.424 1.00 0.00 C ATOM 1253 C THR A 88 10.132 2.127 -8.033 1.00 0.00 C ATOM 1254 O THR A 88 10.034 2.318 -9.244 1.00 0.00 O ATOM 1255 CB THR A 88 11.969 0.347 -8.002 1.00 0.00 C ATOM 1256 OG1 THR A 88 11.016 -0.616 -7.559 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.282 -0.105 -7.360 1.00 0.00 C ATOM 0 H THR A 88 10.882 0.641 -5.692 1.00 0.00 H new ATOM 0 HA THR A 88 12.180 2.448 -7.672 1.00 0.00 H new ATOM 0 HB THR A 88 12.108 0.451 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.361 -1.076 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.600 -1.048 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.048 0.652 -7.527 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.135 -0.242 -6.289 1.00 0.00 H new ATOM 1265 N ALA A 89 9.145 2.290 -7.165 1.00 0.00 N ATOM 1266 CA ALA A 89 7.828 2.722 -7.603 1.00 0.00 C ATOM 1267 C ALA A 89 7.911 4.162 -8.112 1.00 0.00 C ATOM 1268 O ALA A 89 8.678 4.967 -7.585 1.00 0.00 O ATOM 1269 CB ALA A 89 6.832 2.568 -6.452 1.00 0.00 C ATOM 0 H ALA A 89 9.230 2.131 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 89 7.475 2.101 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.844 2.892 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.788 1.523 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.153 3.180 -5.609 1.00 0.00 H new ATOM 1275 N LYS A 90 7.113 4.443 -9.131 1.00 0.00 N ATOM 1276 CA LYS A 90 7.087 5.772 -9.718 1.00 0.00 C ATOM 1277 C LYS A 90 5.731 6.422 -9.437 1.00 0.00 C ATOM 1278 O LYS A 90 4.723 5.731 -9.301 1.00 0.00 O ATOM 1279 CB LYS A 90 7.442 5.708 -11.205 1.00 0.00 C ATOM 1280 CG LYS A 90 6.192 5.486 -12.058 1.00 0.00 C ATOM 1281 CD LYS A 90 5.523 6.818 -12.407 1.00 0.00 C ATOM 1282 CE LYS A 90 5.727 7.163 -13.884 1.00 0.00 C ATOM 1283 NZ LYS A 90 4.422 7.312 -14.566 1.00 0.00 N ATOM 0 H LYS A 90 6.479 3.773 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 90 7.846 6.406 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.932 6.634 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.153 4.900 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.461 4.959 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.488 4.851 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.457 6.763 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.936 7.611 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.298 8.087 -13.972 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.310 6.381 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.578 7.546 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.891 6.421 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.879 8.074 -14.113 1.00 0.00 H new ATOM 1297 N GLU A 91 5.750 7.745 -9.359 1.00 0.00 N ATOM 1298 CA GLU A 91 4.534 8.496 -9.097 1.00 0.00 C ATOM 1299 C GLU A 91 3.866 8.900 -10.412 1.00 0.00 C ATOM 1300 O GLU A 91 4.545 9.252 -11.375 1.00 0.00 O ATOM 1301 CB GLU A 91 4.824 9.723 -8.230 1.00 0.00 C ATOM 1302 CG GLU A 91 5.775 9.372 -7.083 1.00 0.00 C ATOM 1303 CD GLU A 91 7.207 9.801 -7.407 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.349 10.866 -8.046 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.127 9.056 -7.007 1.00 0.00 O ATOM 0 H GLU A 91 6.588 8.316 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 91 3.846 7.855 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.263 10.510 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.891 10.116 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.443 9.862 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.746 8.298 -6.898 1.00 0.00 H new ATOM 1312 N PRO A 92 2.507 8.835 -10.411 1.00 0.00 N ATOM 1313 CA PRO A 92 1.780 8.407 -9.227 1.00 0.00 C ATOM 1314 C PRO A 92 1.888 6.893 -9.034 1.00 0.00 C ATOM 1315 O PRO A 92 1.879 6.138 -10.005 1.00 0.00 O ATOM 1316 CB PRO A 92 0.352 8.877 -9.452 1.00 0.00 C ATOM 1317 CG PRO A 92 0.229 9.135 -10.945 1.00 0.00 C ATOM 1318 CD PRO A 92 1.631 9.164 -11.531 1.00 0.00 C ATOM 0 HA PRO A 92 2.185 8.831 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.364 8.122 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.144 9.782 -8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.367 8.355 -11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.281 10.081 -11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.737 8.443 -12.341 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.867 10.145 -11.944 1.00 0.00 H new ATOM 1326 N ILE A 93 1.988 6.495 -7.775 1.00 0.00 N ATOM 1327 CA ILE A 93 2.098 5.085 -7.442 1.00 0.00 C ATOM 1328 C ILE A 93 0.705 4.526 -7.145 1.00 0.00 C ATOM 1329 O ILE A 93 0.091 4.878 -6.139 1.00 0.00 O ATOM 1330 CB ILE A 93 3.098 4.880 -6.303 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.437 5.548 -6.622 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.262 3.393 -5.978 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.151 5.985 -5.341 1.00 0.00 C ATOM 0 H ILE A 93 1.995 7.124 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 93 2.494 4.523 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 93 2.702 5.363 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.070 4.855 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.272 6.413 -7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.978 3.275 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.300 2.978 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.625 2.866 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.100 6.457 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.526 6.696 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.336 5.114 -4.712 1.00 0.00 H new ATOM 1345 N VAL A 94 0.246 3.662 -8.040 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.063 3.051 -7.887 1.00 0.00 C ATOM 1347 C VAL A 94 -0.950 1.841 -6.957 1.00 0.00 C ATOM 1348 O VAL A 94 -0.349 0.830 -7.318 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.640 2.699 -9.259 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.057 2.136 -9.130 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.614 3.911 -10.192 1.00 0.00 C ATOM 0 H VAL A 94 0.758 3.371 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.760 3.751 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.011 1.925 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.444 1.894 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.036 1.234 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.702 2.878 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.030 3.633 -11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.208 4.716 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.586 4.248 -10.322 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.538 1.983 -5.778 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.511 0.914 -4.795 1.00 0.00 C ATOM 1363 C VAL A 95 -2.937 0.418 -4.547 1.00 0.00 C ATOM 1364 O VAL A 95 -3.895 1.177 -4.689 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.815 1.394 -3.520 1.00 0.00 C ATOM 1366 CG1 VAL A 95 -0.053 0.250 -2.848 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.113 2.574 -3.813 1.00 0.00 C ATOM 0 H VAL A 95 -2.036 2.822 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.933 0.068 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.583 1.737 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.433 0.618 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.749 -0.547 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.701 -0.137 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.595 2.896 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.873 2.269 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.467 3.399 -4.226 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.033 -0.851 -4.181 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.326 -1.457 -3.912 1.00 0.00 C ATOM 1379 C GLN A 96 -4.273 -2.269 -2.616 1.00 0.00 C ATOM 1380 O GLN A 96 -3.303 -2.982 -2.366 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.779 -2.327 -5.086 1.00 0.00 C ATOM 1382 CG GLN A 96 -5.994 -3.174 -4.704 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.127 -2.996 -5.717 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.077 -2.262 -5.503 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -6.973 -3.708 -6.831 1.00 0.00 N ATOM 0 H GLN A 96 -2.236 -1.477 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.060 -0.660 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.026 -1.694 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.962 -2.977 -5.398 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.708 -4.225 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.342 -2.890 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.153 -4.303 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.675 -3.658 -7.569 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.328 -2.133 -1.826 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.414 -2.845 -0.563 1.00 0.00 C ATOM 1396 C VAL A 97 -6.771 -3.544 -0.467 1.00 0.00 C ATOM 1397 O VAL A 97 -7.690 -3.229 -1.222 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.154 -1.883 0.599 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.742 -1.300 0.522 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.205 -0.771 0.635 1.00 0.00 C ATOM 0 H VAL A 97 -6.131 -1.540 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.646 -3.617 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.233 -2.449 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.583 -0.620 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.012 -2.108 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.624 -0.756 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.998 -0.101 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.172 -0.209 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.195 -1.210 0.759 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.854 -4.481 0.466 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.084 -5.228 0.670 1.00 0.00 C ATOM 1412 C LEU A 98 -8.756 -4.754 1.960 1.00 0.00 C ATOM 1413 O LEU A 98 -8.311 -5.092 3.056 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.809 -6.733 0.637 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.246 -7.467 -0.633 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.955 -6.628 -1.879 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.604 -8.853 -0.713 1.00 0.00 C ATOM 0 H LEU A 98 -6.089 -4.740 1.089 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.784 -5.037 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.739 -6.890 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.310 -7.193 1.489 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.325 -7.614 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.275 -7.173 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.497 -5.684 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.885 -6.428 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.931 -9.353 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.519 -8.751 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.904 -9.444 0.153 1.00 0.00 H new