USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 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 55 ASN : amide:sc= 0.0262 K(o=0.097,f=-0.88) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= -0.0535 USER MOD Set 1.3: A 76 LYS NZ :NH3+ 164:sc= 0.125 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.0396) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00772) USER MOD Single : A 62 THR OG1 : rot -82:sc= -1.37 USER MOD Single : A 68 ASN : amide:sc= -2.76 K(o=-2.8,f=-7.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.11) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -93:sc= 1.54 (180deg=-0.664) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -3.66 K(o=-3.7,f=-5.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.249 USER MOD Single : A 112 MET CE :methyl -173:sc= -1.83 (180deg=-2.02) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.048 K(o=-0.048,f=-0.62) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.071 13.328 6.768 1.00 0.00 N ATOM 95 CA ILE A 6 120.205 13.331 5.275 1.00 0.00 C ATOM 96 C ILE A 6 121.471 12.560 4.879 1.00 0.00 C ATOM 97 O ILE A 6 122.543 12.825 5.395 1.00 0.00 O ATOM 98 CB ILE A 6 120.307 14.813 4.854 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.112 15.640 5.374 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.367 14.927 3.325 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.759 15.084 4.894 1.00 0.00 C ATOM 0 HA ILE A 6 119.359 12.850 4.784 1.00 0.00 H new ATOM 0 HB ILE A 6 121.220 15.212 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.130 15.653 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.216 16.673 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.439 15.977 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.240 14.390 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.465 14.495 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.952 15.702 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.727 15.096 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.639 14.061 5.250 1.00 0.00 H new ATOM 113 N ILE A 7 121.342 11.618 3.973 1.00 0.00 N ATOM 114 CA ILE A 7 122.531 10.857 3.469 1.00 0.00 C ATOM 115 C ILE A 7 122.510 10.864 1.934 1.00 0.00 C ATOM 116 O ILE A 7 121.452 10.885 1.333 1.00 0.00 O ATOM 117 CB ILE A 7 122.399 9.427 4.029 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.358 9.452 5.564 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.603 8.577 3.599 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.888 8.094 6.092 1.00 0.00 C ATOM 0 H ILE A 7 120.453 11.341 3.557 1.00 0.00 H new ATOM 0 HA ILE A 7 123.476 11.297 3.787 1.00 0.00 H new ATOM 0 HB ILE A 7 121.475 8.999 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.347 9.684 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.685 10.238 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.499 7.569 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.646 8.532 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.520 9.026 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.861 8.117 7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.890 7.880 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.578 7.317 5.763 1.00 0.00 H new ATOM 132 N GLU A 8 123.670 10.849 1.317 1.00 0.00 N ATOM 133 CA GLU A 8 123.753 10.849 -0.177 1.00 0.00 C ATOM 134 C GLU A 8 124.146 9.459 -0.686 1.00 0.00 C ATOM 135 O GLU A 8 124.972 8.793 -0.087 1.00 0.00 O ATOM 136 CB GLU A 8 124.840 11.870 -0.517 1.00 0.00 C ATOM 137 CG GLU A 8 124.362 13.275 -0.144 1.00 0.00 C ATOM 138 CD GLU A 8 125.416 14.301 -0.563 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.426 14.394 0.116 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.195 14.978 -1.554 1.00 0.00 O ATOM 0 H GLU A 8 124.572 10.837 1.793 1.00 0.00 H new ATOM 0 HA GLU A 8 122.799 11.100 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.757 11.632 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.075 11.825 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.414 13.491 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.185 13.337 0.930 1.00 0.00 H new ATOM 147 N GLY A 9 123.557 9.029 -1.781 1.00 0.00 N ATOM 148 CA GLY A 9 123.881 7.692 -2.366 1.00 0.00 C ATOM 149 C GLY A 9 124.055 7.823 -3.881 1.00 0.00 C ATOM 150 O GLY A 9 123.448 8.681 -4.499 1.00 0.00 O ATOM 0 H GLY A 9 122.856 9.559 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.794 7.299 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.084 6.983 -2.141 1.00 0.00 H new ATOM 154 N GLU A 10 124.874 6.979 -4.466 1.00 0.00 N ATOM 155 CA GLU A 10 125.113 7.033 -5.943 1.00 0.00 C ATOM 156 C GLU A 10 124.405 5.865 -6.636 1.00 0.00 C ATOM 157 O GLU A 10 124.370 4.765 -6.115 1.00 0.00 O ATOM 158 CB GLU A 10 126.628 6.915 -6.114 1.00 0.00 C ATOM 159 CG GLU A 10 127.004 7.219 -7.565 1.00 0.00 C ATOM 160 CD GLU A 10 128.503 6.989 -7.764 1.00 0.00 C ATOM 161 OE1 GLU A 10 129.278 7.706 -7.153 1.00 0.00 O ATOM 162 OE2 GLU A 10 128.850 6.100 -8.523 1.00 0.00 O ATOM 0 H GLU A 10 125.391 6.248 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 10 124.726 7.951 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.135 7.608 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.958 5.912 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.435 6.580 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.748 8.250 -7.810 1.00 0.00 H new ATOM 169 N VAL A 11 123.846 6.109 -7.803 1.00 0.00 N ATOM 170 CA VAL A 11 123.141 5.029 -8.581 1.00 0.00 C ATOM 171 C VAL A 11 124.142 3.930 -8.970 1.00 0.00 C ATOM 172 O VAL A 11 125.125 4.203 -9.634 1.00 0.00 O ATOM 173 CB VAL A 11 122.566 5.692 -9.852 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.731 4.681 -10.645 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.667 6.883 -9.487 1.00 0.00 C ATOM 0 H VAL A 11 123.848 7.023 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 11 122.349 4.572 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 11 123.406 6.040 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.331 5.161 -11.539 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.359 3.839 -10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.908 4.324 -10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.273 7.334 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.840 6.538 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.249 7.623 -8.938 1.00 0.00 H new ATOM 185 N VAL A 12 123.887 2.710 -8.559 1.00 0.00 N ATOM 186 CA VAL A 12 124.773 1.561 -8.938 1.00 0.00 C ATOM 187 C VAL A 12 123.942 0.440 -9.576 1.00 0.00 C ATOM 188 O VAL A 12 122.742 0.371 -9.376 1.00 0.00 O ATOM 189 CB VAL A 12 125.449 1.081 -7.640 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.339 2.195 -7.083 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.412 0.691 -6.577 1.00 0.00 C ATOM 0 H VAL A 12 123.093 2.458 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 12 125.522 1.859 -9.672 1.00 0.00 H new ATOM 0 HB VAL A 12 126.046 0.201 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.817 1.854 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.104 2.451 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.731 3.075 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.924 0.357 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.789 1.554 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.786 -0.116 -6.958 1.00 0.00 H new ATOM 201 N SER A 13 124.579 -0.424 -10.333 1.00 0.00 N ATOM 202 CA SER A 13 123.848 -1.540 -11.016 1.00 0.00 C ATOM 203 C SER A 13 123.721 -2.745 -10.079 1.00 0.00 C ATOM 204 O SER A 13 124.709 -3.223 -9.550 1.00 0.00 O ATOM 205 CB SER A 13 124.693 -1.904 -12.239 1.00 0.00 C ATOM 206 OG SER A 13 124.015 -2.895 -13.000 1.00 0.00 O ATOM 0 H SER A 13 125.584 -0.403 -10.508 1.00 0.00 H new ATOM 0 HA SER A 13 122.838 -1.244 -11.299 1.00 0.00 H new ATOM 0 HB2 SER A 13 124.870 -1.019 -12.849 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.668 -2.275 -11.924 1.00 0.00 H new ATOM 0 HG SER A 13 124.553 -3.129 -13.785 1.00 0.00 H new ATOM 486 N PHE A 31 103.431 -4.925 0.828 1.00 0.00 N ATOM 487 CA PHE A 31 103.944 -3.547 0.525 1.00 0.00 C ATOM 488 C PHE A 31 102.808 -2.521 0.611 1.00 0.00 C ATOM 489 O PHE A 31 102.994 -1.442 1.145 1.00 0.00 O ATOM 490 CB PHE A 31 104.522 -3.605 -0.898 1.00 0.00 C ATOM 491 CG PHE A 31 105.989 -3.973 -0.953 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.928 -3.330 -0.086 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.439 -4.966 -1.878 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.312 -3.680 -0.144 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.824 -5.317 -1.935 1.00 0.00 C ATOM 496 CZ PHE A 31 108.759 -4.674 -1.067 1.00 0.00 C ATOM 0 HA PHE A 31 104.704 -3.239 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.954 -4.331 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.383 -2.635 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.590 -2.579 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.732 -5.452 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 31 109.020 -3.193 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 31 108.163 -6.068 -2.634 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.805 -4.940 -1.109 1.00 0.00 H new ATOM 506 N LYS A 32 101.647 -2.855 0.096 1.00 0.00 N ATOM 507 CA LYS A 32 100.483 -1.905 0.128 1.00 0.00 C ATOM 508 C LYS A 32 100.039 -1.653 1.575 1.00 0.00 C ATOM 509 O LYS A 32 99.652 -0.551 1.919 1.00 0.00 O ATOM 510 CB LYS A 32 99.320 -2.442 -0.708 1.00 0.00 C ATOM 511 CG LYS A 32 98.109 -1.525 -0.748 1.00 0.00 C ATOM 512 CD LYS A 32 96.906 -2.226 -1.358 1.00 0.00 C ATOM 513 CE LYS A 32 96.438 -3.380 -0.488 1.00 0.00 C ATOM 514 NZ LYS A 32 95.235 -4.050 -1.053 1.00 0.00 N ATOM 0 H LYS A 32 101.453 -3.752 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 32 100.801 -0.957 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.667 -2.612 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 32 99.016 -3.410 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.867 -1.195 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.345 -0.632 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 32 96.093 -1.512 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 32 97.163 -2.597 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 32 97.244 -4.107 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.212 -3.012 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.948 -4.831 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.458 -3.363 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 95.458 -4.424 -1.997 1.00 0.00 H new ATOM 528 N LYS A 33 100.093 -2.671 2.406 1.00 0.00 N ATOM 529 CA LYS A 33 99.684 -2.514 3.841 1.00 0.00 C ATOM 530 C LYS A 33 100.677 -1.617 4.587 1.00 0.00 C ATOM 531 O LYS A 33 100.276 -0.817 5.415 1.00 0.00 O ATOM 532 CB LYS A 33 99.675 -3.923 4.444 1.00 0.00 C ATOM 533 CG LYS A 33 99.023 -3.885 5.831 1.00 0.00 C ATOM 534 CD LYS A 33 97.508 -3.744 5.678 1.00 0.00 C ATOM 535 CE LYS A 33 96.851 -3.773 7.060 1.00 0.00 C ATOM 536 NZ LYS A 33 96.708 -5.219 7.386 1.00 0.00 N ATOM 0 H LYS A 33 100.404 -3.608 2.150 1.00 0.00 H new ATOM 0 HA LYS A 33 98.704 -2.044 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.128 -4.605 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.694 -4.303 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.261 -4.795 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 33 99.420 -3.050 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 33 97.268 -2.810 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 97.117 -4.553 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 97.465 -3.260 7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 33 95.882 -3.273 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 96.913 -5.369 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 95.736 -5.527 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 97.375 -5.772 6.811 1.00 0.00 H new ATOM 550 N ILE A 34 101.953 -1.747 4.298 1.00 0.00 N ATOM 551 CA ILE A 34 102.994 -0.975 5.052 1.00 0.00 C ATOM 552 C ILE A 34 103.089 0.450 4.491 1.00 0.00 C ATOM 553 O ILE A 34 103.307 1.389 5.236 1.00 0.00 O ATOM 554 CB ILE A 34 104.325 -1.735 4.876 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.200 -3.174 5.392 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.444 -1.045 5.669 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.356 -4.011 4.838 1.00 0.00 C ATOM 0 H ILE A 34 102.319 -2.358 3.568 1.00 0.00 H new ATOM 0 HA ILE A 34 102.746 -0.890 6.110 1.00 0.00 H new ATOM 0 HB ILE A 34 104.562 -1.739 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.217 -3.185 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.246 -3.602 5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.376 -1.593 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.568 -0.024 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.183 -1.028 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.271 -5.035 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.317 -4.009 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.304 -3.586 5.168 1.00 0.00 H new ATOM 569 N LEU A 35 102.923 0.609 3.197 1.00 0.00 N ATOM 570 CA LEU A 35 103.136 1.942 2.550 1.00 0.00 C ATOM 571 C LEU A 35 101.808 2.625 2.210 1.00 0.00 C ATOM 572 O LEU A 35 101.746 3.841 2.139 1.00 0.00 O ATOM 573 CB LEU A 35 103.905 1.636 1.264 1.00 0.00 C ATOM 574 CG LEU A 35 105.305 1.123 1.602 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.888 0.410 0.379 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.202 2.304 1.979 1.00 0.00 C ATOM 0 H LEU A 35 102.646 -0.136 2.558 1.00 0.00 H new ATOM 0 HA LEU A 35 103.670 2.621 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.367 0.891 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 35 103.976 2.534 0.650 1.00 0.00 H new ATOM 0 HG LEU A 35 105.249 0.428 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.887 0.042 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.247 -0.429 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 35 105.946 1.108 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.201 1.940 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.262 2.998 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.784 2.817 2.845 1.00 0.00 H new ATOM 588 N GLY A 36 100.759 1.861 2.004 1.00 0.00 N ATOM 589 CA GLY A 36 99.475 2.431 1.494 1.00 0.00 C ATOM 590 C GLY A 36 99.500 2.589 -0.035 1.00 0.00 C ATOM 591 O GLY A 36 98.639 3.256 -0.583 1.00 0.00 O ATOM 0 H GLY A 36 100.741 0.855 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.648 1.782 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.295 3.401 1.959 1.00 0.00 H new ATOM 595 N PHE A 37 100.461 2.000 -0.726 1.00 0.00 N ATOM 596 CA PHE A 37 100.410 1.947 -2.221 1.00 0.00 C ATOM 597 C PHE A 37 101.134 0.697 -2.734 1.00 0.00 C ATOM 598 O PHE A 37 101.932 0.109 -2.024 1.00 0.00 O ATOM 599 CB PHE A 37 101.091 3.235 -2.708 1.00 0.00 C ATOM 600 CG PHE A 37 102.562 3.357 -2.366 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.531 2.577 -3.074 1.00 0.00 C ATOM 602 CD2 PHE A 37 102.987 4.267 -1.348 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.919 2.704 -2.765 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.377 4.393 -1.037 1.00 0.00 C ATOM 605 CZ PHE A 37 105.343 3.612 -1.744 1.00 0.00 C ATOM 0 H PHE A 37 101.279 1.554 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 37 99.388 1.884 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 37 100.980 3.299 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.564 4.089 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.211 1.891 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.258 4.859 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.648 2.115 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.697 5.079 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.392 3.707 -1.508 1.00 0.00 H new ATOM 615 N GLU A 38 100.851 0.300 -3.953 1.00 0.00 N ATOM 616 CA GLU A 38 101.550 -0.872 -4.566 1.00 0.00 C ATOM 617 C GLU A 38 102.767 -0.389 -5.375 1.00 0.00 C ATOM 618 O GLU A 38 102.573 0.211 -6.417 1.00 0.00 O ATOM 619 CB GLU A 38 100.517 -1.518 -5.493 1.00 0.00 C ATOM 620 CG GLU A 38 99.429 -2.195 -4.656 1.00 0.00 C ATOM 621 CD GLU A 38 98.559 -3.069 -5.559 1.00 0.00 C ATOM 622 OE1 GLU A 38 98.970 -4.181 -5.851 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.494 -2.613 -5.944 1.00 0.00 O ATOM 0 H GLU A 38 100.157 0.744 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 38 101.915 -1.574 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.074 -0.763 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 38 101.001 -2.250 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.883 -2.802 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 38 98.816 -1.442 -4.161 1.00 0.00 H new ATOM 630 N PRO A 39 103.977 -0.651 -4.901 1.00 0.00 N ATOM 631 CA PRO A 39 105.196 -0.146 -5.607 1.00 0.00 C ATOM 632 C PRO A 39 105.354 -0.837 -6.967 1.00 0.00 C ATOM 633 O PRO A 39 104.798 -1.898 -7.188 1.00 0.00 O ATOM 634 CB PRO A 39 106.335 -0.527 -4.661 1.00 0.00 C ATOM 635 CG PRO A 39 105.809 -1.725 -3.952 1.00 0.00 C ATOM 636 CD PRO A 39 104.364 -1.421 -3.699 1.00 0.00 C ATOM 0 HA PRO A 39 105.162 0.923 -5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.251 -0.753 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.568 0.281 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.923 -2.624 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.345 -1.899 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.772 -2.330 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.226 -0.842 -2.786 1.00 0.00 H new ATOM 644 N TYR A 40 106.106 -0.237 -7.861 1.00 0.00 N ATOM 645 CA TYR A 40 106.304 -0.828 -9.227 1.00 0.00 C ATOM 646 C TYR A 40 107.238 -2.036 -9.141 1.00 0.00 C ATOM 647 O TYR A 40 107.938 -2.206 -8.157 1.00 0.00 O ATOM 648 CB TYR A 40 106.945 0.269 -10.081 1.00 0.00 C ATOM 649 CG TYR A 40 107.089 -0.108 -11.537 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.277 -0.760 -11.991 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.038 0.185 -12.460 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.414 -1.118 -13.368 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.175 -0.173 -13.836 1.00 0.00 C ATOM 654 CZ TYR A 40 107.363 -0.824 -14.290 1.00 0.00 C ATOM 655 OH TYR A 40 107.495 -1.170 -15.620 1.00 0.00 O ATOM 0 H TYR A 40 106.595 0.644 -7.702 1.00 0.00 H new ATOM 0 HA TYR A 40 105.360 -1.165 -9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.343 1.175 -10.006 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.929 0.505 -9.676 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.071 -0.982 -11.294 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.140 0.677 -12.117 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.312 -1.611 -13.711 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.381 0.048 -14.533 1.00 0.00 H new ATOM 0 HH TYR A 40 106.690 -0.900 -16.110 1.00 0.00 H new ATOM 665 N GLU A 41 107.252 -2.863 -10.164 1.00 0.00 N ATOM 666 CA GLU A 41 108.150 -4.063 -10.159 1.00 0.00 C ATOM 667 C GLU A 41 109.577 -3.642 -10.545 1.00 0.00 C ATOM 668 O GLU A 41 110.007 -3.807 -11.675 1.00 0.00 O ATOM 669 CB GLU A 41 107.560 -5.028 -11.196 1.00 0.00 C ATOM 670 CG GLU A 41 106.197 -5.528 -10.713 1.00 0.00 C ATOM 671 CD GLU A 41 105.636 -6.545 -11.711 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.392 -7.397 -12.150 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.460 -6.450 -12.021 1.00 0.00 O ATOM 0 H GLU A 41 106.679 -2.757 -11.001 1.00 0.00 H new ATOM 0 HA GLU A 41 108.208 -4.533 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.455 -4.525 -12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.235 -5.870 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.295 -5.986 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.508 -4.690 -10.607 1.00 0.00 H new ATOM 680 N GLY A 42 110.301 -3.091 -9.597 1.00 0.00 N ATOM 681 CA GLY A 42 111.736 -2.734 -9.817 1.00 0.00 C ATOM 682 C GLY A 42 112.316 -2.149 -8.527 1.00 0.00 C ATOM 683 O GLY A 42 111.591 -1.918 -7.576 1.00 0.00 O ATOM 0 H GLY A 42 109.949 -2.871 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.301 -3.617 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.823 -2.011 -10.628 1.00 0.00 H new ATOM 687 N THR A 43 113.608 -1.913 -8.499 1.00 0.00 N ATOM 688 CA THR A 43 114.258 -1.312 -7.291 1.00 0.00 C ATOM 689 C THR A 43 115.286 -0.253 -7.697 1.00 0.00 C ATOM 690 O THR A 43 115.789 -0.262 -8.805 1.00 0.00 O ATOM 691 CB THR A 43 114.952 -2.463 -6.551 1.00 0.00 C ATOM 692 OG1 THR A 43 115.526 -3.378 -7.477 1.00 0.00 O ATOM 693 CG2 THR A 43 113.940 -3.191 -5.665 1.00 0.00 C ATOM 0 H THR A 43 114.245 -2.114 -9.270 1.00 0.00 H new ATOM 0 HA THR A 43 113.519 -0.819 -6.659 1.00 0.00 H new ATOM 0 HB THR A 43 115.748 -2.050 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 115.966 -4.105 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.436 -4.008 -5.141 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.524 -2.493 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.137 -3.592 -6.284 1.00 0.00 H new ATOM 701 N LEU A 44 115.586 0.650 -6.793 1.00 0.00 N ATOM 702 CA LEU A 44 116.720 1.599 -6.986 1.00 0.00 C ATOM 703 C LEU A 44 117.839 1.224 -6.011 1.00 0.00 C ATOM 704 O LEU A 44 117.661 1.319 -4.810 1.00 0.00 O ATOM 705 CB LEU A 44 116.137 2.978 -6.654 1.00 0.00 C ATOM 706 CG LEU A 44 117.182 4.071 -6.903 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.408 4.235 -8.406 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.683 5.394 -6.318 1.00 0.00 C ATOM 0 H LEU A 44 115.081 0.768 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 44 117.139 1.581 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.254 3.164 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.815 3.003 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 44 118.120 3.789 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.152 5.013 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.763 3.294 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.471 4.516 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.425 6.173 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.744 5.672 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.524 5.281 -5.246 1.00 0.00 H new ATOM 720 N ASN A 45 118.970 0.803 -6.524 1.00 0.00 N ATOM 721 CA ASN A 45 120.094 0.357 -5.645 1.00 0.00 C ATOM 722 C ASN A 45 121.114 1.487 -5.488 1.00 0.00 C ATOM 723 O ASN A 45 121.683 1.944 -6.464 1.00 0.00 O ATOM 724 CB ASN A 45 120.719 -0.835 -6.369 1.00 0.00 C ATOM 725 CG ASN A 45 119.852 -2.076 -6.161 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.684 -2.080 -6.495 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.378 -3.139 -5.617 1.00 0.00 N ATOM 0 H ASN A 45 119.163 0.749 -7.524 1.00 0.00 H new ATOM 0 HA ASN A 45 119.756 0.089 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.812 -0.619 -7.433 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.726 -1.015 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.809 -3.973 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.359 -3.136 -5.336 1.00 0.00 H new ATOM 734 N LEU A 46 121.342 1.928 -4.272 1.00 0.00 N ATOM 735 CA LEU A 46 122.283 3.063 -4.024 1.00 0.00 C ATOM 736 C LEU A 46 123.434 2.621 -3.116 1.00 0.00 C ATOM 737 O LEU A 46 123.221 1.941 -2.129 1.00 0.00 O ATOM 738 CB LEU A 46 121.444 4.144 -3.340 1.00 0.00 C ATOM 739 CG LEU A 46 120.529 4.812 -4.369 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.496 5.679 -3.646 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.363 5.695 -5.301 1.00 0.00 C ATOM 0 H LEU A 46 120.909 1.543 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 46 122.734 3.424 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.848 3.704 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.095 4.888 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 46 120.021 4.044 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.844 6.155 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.899 5.055 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.008 6.445 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.710 6.170 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.872 6.462 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.102 5.083 -5.817 1.00 0.00 H new ATOM 753 N LYS A 47 124.640 3.010 -3.461 1.00 0.00 N ATOM 754 CA LYS A 47 125.819 2.764 -2.575 1.00 0.00 C ATOM 755 C LYS A 47 126.083 4.013 -1.730 1.00 0.00 C ATOM 756 O LYS A 47 126.114 5.114 -2.253 1.00 0.00 O ATOM 757 CB LYS A 47 126.988 2.496 -3.527 1.00 0.00 C ATOM 758 CG LYS A 47 128.217 2.054 -2.728 1.00 0.00 C ATOM 759 CD LYS A 47 129.421 1.947 -3.667 1.00 0.00 C ATOM 760 CE LYS A 47 130.617 1.377 -2.902 1.00 0.00 C ATOM 761 NZ LYS A 47 131.783 1.576 -3.809 1.00 0.00 N ATOM 0 H LYS A 47 124.858 3.494 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 47 125.666 1.930 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.714 1.724 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.218 3.396 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.424 2.770 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.028 1.093 -2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.179 1.305 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.669 2.929 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.762 1.894 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.472 0.322 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.643 1.209 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.620 1.067 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.901 2.590 -4.006 1.00 0.00 H new ATOM 775 N LEU A 48 126.268 3.840 -0.442 1.00 0.00 N ATOM 776 CA LEU A 48 126.461 5.002 0.478 1.00 0.00 C ATOM 777 C LEU A 48 127.897 5.034 1.006 1.00 0.00 C ATOM 778 O LEU A 48 128.592 4.034 0.974 1.00 0.00 O ATOM 779 CB LEU A 48 125.488 4.780 1.637 1.00 0.00 C ATOM 780 CG LEU A 48 124.042 4.852 1.138 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.102 4.364 2.242 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.695 6.298 0.779 1.00 0.00 C ATOM 0 H LEU A 48 126.293 2.928 0.015 1.00 0.00 H new ATOM 0 HA LEU A 48 126.280 5.948 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.674 3.809 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.652 5.533 2.408 1.00 0.00 H new ATOM 0 HG LEU A 48 123.930 4.223 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.071 4.414 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.348 3.334 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.216 4.996 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.666 6.348 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.805 6.928 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.366 6.650 -0.004 1.00 0.00 H new ATOM 794 N ASP A 49 128.329 6.178 1.487 1.00 0.00 N ATOM 795 CA ASP A 49 129.659 6.274 2.170 1.00 0.00 C ATOM 796 C ASP A 49 129.552 5.993 3.682 1.00 0.00 C ATOM 797 O ASP A 49 130.491 6.256 4.413 1.00 0.00 O ATOM 798 CB ASP A 49 130.166 7.704 1.904 1.00 0.00 C ATOM 799 CG ASP A 49 129.215 8.761 2.485 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.049 8.742 2.128 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.673 9.567 3.278 1.00 0.00 O ATOM 0 H ASP A 49 127.812 7.056 1.434 1.00 0.00 H new ATOM 0 HA ASP A 49 130.349 5.524 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.157 7.826 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.270 7.859 0.830 1.00 0.00 H new ATOM 806 N ARG A 50 128.436 5.469 4.148 1.00 0.00 N ATOM 807 CA ARG A 50 128.252 5.196 5.607 1.00 0.00 C ATOM 808 C ARG A 50 127.408 3.931 5.787 1.00 0.00 C ATOM 809 O ARG A 50 126.483 3.696 5.032 1.00 0.00 O ATOM 810 CB ARG A 50 127.504 6.413 6.156 1.00 0.00 C ATOM 811 CG ARG A 50 128.412 7.646 6.132 1.00 0.00 C ATOM 812 CD ARG A 50 127.690 8.822 6.792 1.00 0.00 C ATOM 813 NE ARG A 50 127.597 8.457 8.240 1.00 0.00 N ATOM 814 CZ ARG A 50 128.613 8.573 9.073 1.00 0.00 C ATOM 815 NH1 ARG A 50 129.792 9.021 8.705 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.439 8.229 10.320 1.00 0.00 N ATOM 0 H ARG A 50 127.637 5.217 3.566 1.00 0.00 H new ATOM 0 HA ARG A 50 129.199 5.039 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.610 6.599 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.173 6.216 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.343 7.436 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.676 7.897 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 50 128.242 9.752 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 50 126.701 8.971 6.358 1.00 0.00 H new ATOM 0 HE ARG A 50 126.710 8.103 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 50 129.953 9.298 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 50 130.546 9.092 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 50 127.533 7.880 10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 50 129.209 8.310 10.984 1.00 0.00 H new ATOM 830 N GLU A 51 127.727 3.127 6.779 1.00 0.00 N ATOM 831 CA GLU A 51 126.927 1.884 7.053 1.00 0.00 C ATOM 832 C GLU A 51 125.497 2.249 7.467 1.00 0.00 C ATOM 833 O GLU A 51 125.281 3.267 8.101 1.00 0.00 O ATOM 834 CB GLU A 51 127.637 1.159 8.202 1.00 0.00 C ATOM 835 CG GLU A 51 129.019 0.692 7.739 1.00 0.00 C ATOM 836 CD GLU A 51 129.684 -0.134 8.843 1.00 0.00 C ATOM 837 OE1 GLU A 51 129.610 0.275 9.992 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.256 -1.161 8.522 1.00 0.00 O ATOM 0 H GLU A 51 128.511 3.279 7.414 1.00 0.00 H new ATOM 0 HA GLU A 51 126.861 1.256 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.735 1.825 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 127.044 0.305 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.926 0.095 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.640 1.553 7.492 1.00 0.00 H new ATOM 845 N PHE A 52 124.538 1.425 7.111 1.00 0.00 N ATOM 846 CA PHE A 52 123.109 1.716 7.444 1.00 0.00 C ATOM 847 C PHE A 52 122.418 0.466 7.999 1.00 0.00 C ATOM 848 O PHE A 52 122.599 -0.623 7.488 1.00 0.00 O ATOM 849 CB PHE A 52 122.469 2.141 6.120 1.00 0.00 C ATOM 850 CG PHE A 52 121.029 2.575 6.262 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.717 3.929 6.600 1.00 0.00 C ATOM 852 CD2 PHE A 52 119.976 1.628 6.060 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.354 4.334 6.738 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.613 2.035 6.198 1.00 0.00 C ATOM 855 CZ PHE A 52 118.302 3.387 6.538 1.00 0.00 C ATOM 0 H PHE A 52 124.688 0.556 6.599 1.00 0.00 H new ATOM 0 HA PHE A 52 123.018 2.488 8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 52 123.047 2.960 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.523 1.311 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.511 4.645 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.211 0.606 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 52 119.118 5.356 6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.818 1.320 6.045 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.272 3.694 6.644 1.00 0.00 H new ATOM 865 N ASP A 53 121.634 0.634 9.040 1.00 0.00 N ATOM 866 CA ASP A 53 120.805 -0.486 9.580 1.00 0.00 C ATOM 867 C ASP A 53 119.411 0.030 9.943 1.00 0.00 C ATOM 868 O ASP A 53 119.282 1.024 10.636 1.00 0.00 O ATOM 869 CB ASP A 53 121.547 -0.962 10.832 1.00 0.00 C ATOM 870 CG ASP A 53 120.945 -2.284 11.311 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.729 -2.377 11.363 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.710 -3.182 11.621 1.00 0.00 O ATOM 0 H ASP A 53 121.534 1.515 9.544 1.00 0.00 H new ATOM 0 HA ASP A 53 120.672 -1.293 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.607 -1.091 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.474 -0.211 11.618 1.00 0.00 H new ATOM 877 N ILE A 54 118.379 -0.639 9.476 1.00 0.00 N ATOM 878 CA ILE A 54 116.974 -0.189 9.761 1.00 0.00 C ATOM 879 C ILE A 54 116.658 -0.257 11.269 1.00 0.00 C ATOM 880 O ILE A 54 115.760 0.424 11.731 1.00 0.00 O ATOM 881 CB ILE A 54 116.053 -1.104 8.926 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.594 -0.657 9.077 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.192 -2.567 9.362 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.754 -1.213 7.925 1.00 0.00 C ATOM 0 H ILE A 54 118.450 -1.482 8.906 1.00 0.00 H new ATOM 0 HA ILE A 54 116.825 0.855 9.485 1.00 0.00 H new ATOM 0 HB ILE A 54 116.352 -1.025 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.195 -1.005 10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.538 0.432 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.533 -3.191 8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.224 -2.891 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 54 115.918 -2.661 10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.719 -0.890 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.146 -0.843 6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.798 -2.302 7.935 1.00 0.00 H new ATOM 896 N ASN A 55 117.381 -1.061 12.022 1.00 0.00 N ATOM 897 CA ASN A 55 117.110 -1.188 13.494 1.00 0.00 C ATOM 898 C ASN A 55 117.597 0.038 14.283 1.00 0.00 C ATOM 899 O ASN A 55 117.430 0.080 15.490 1.00 0.00 O ATOM 900 CB ASN A 55 117.857 -2.443 13.959 1.00 0.00 C ATOM 901 CG ASN A 55 117.240 -3.679 13.305 1.00 0.00 C ATOM 902 OD1 ASN A 55 117.827 -4.272 12.421 1.00 0.00 O ATOM 903 ND2 ASN A 55 116.070 -4.098 13.705 1.00 0.00 N ATOM 0 H ASN A 55 118.150 -1.636 11.677 1.00 0.00 H new ATOM 0 HA ASN A 55 116.037 -1.257 13.672 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.912 -2.369 13.696 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.804 -2.529 15.044 1.00 0.00 H new ATOM 0 HD21 ASN A 55 115.649 -4.922 13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 55 115.577 -3.601 14.447 1.00 0.00 H new ATOM 910 N LYS A 56 118.191 1.020 13.633 1.00 0.00 N ATOM 911 CA LYS A 56 118.497 2.319 14.314 1.00 0.00 C ATOM 912 C LYS A 56 117.345 3.325 14.150 1.00 0.00 C ATOM 913 O LYS A 56 117.308 4.321 14.853 1.00 0.00 O ATOM 914 CB LYS A 56 119.772 2.846 13.650 1.00 0.00 C ATOM 915 CG LYS A 56 120.945 1.924 13.990 1.00 0.00 C ATOM 916 CD LYS A 56 122.262 2.599 13.598 1.00 0.00 C ATOM 917 CE LYS A 56 122.398 2.615 12.074 1.00 0.00 C ATOM 918 NZ LYS A 56 123.726 3.239 11.815 1.00 0.00 N ATOM 0 H LYS A 56 118.477 0.973 12.655 1.00 0.00 H new ATOM 0 HA LYS A 56 118.627 2.177 15.387 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.637 2.897 12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.981 3.859 13.993 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.945 1.697 15.056 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.840 0.976 13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.290 3.617 13.986 1.00 0.00 H new ATOM 0 HD3 LYS A 56 123.102 2.065 14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 56 122.348 1.607 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 56 121.595 3.189 11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 123.893 3.286 10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 123.742 4.200 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.471 2.667 12.262 1.00 0.00 H new ATOM 932 N PHE A 57 116.420 3.085 13.242 1.00 0.00 N ATOM 933 CA PHE A 57 115.214 3.961 13.109 1.00 0.00 C ATOM 934 C PHE A 57 113.954 3.143 13.405 1.00 0.00 C ATOM 935 O PHE A 57 114.031 1.944 13.608 1.00 0.00 O ATOM 936 CB PHE A 57 115.204 4.451 11.657 1.00 0.00 C ATOM 937 CG PHE A 57 116.468 5.169 11.236 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.582 6.582 11.413 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.550 4.429 10.668 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.780 7.256 11.019 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.747 5.102 10.275 1.00 0.00 C ATOM 942 CZ PHE A 57 118.863 6.516 10.450 1.00 0.00 C ATOM 0 H PHE A 57 116.455 2.308 12.582 1.00 0.00 H new ATOM 0 HA PHE A 57 115.239 4.799 13.806 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.048 3.597 10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.355 5.121 11.517 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.764 7.141 11.844 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.463 3.361 10.536 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.867 8.324 11.151 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.565 4.542 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.768 7.025 10.153 1.00 0.00 H new ATOM 952 N LYS A 58 112.808 3.786 13.429 1.00 0.00 N ATOM 953 CA LYS A 58 111.535 3.083 13.782 1.00 0.00 C ATOM 954 C LYS A 58 110.867 2.534 12.517 1.00 0.00 C ATOM 955 O LYS A 58 110.254 3.275 11.768 1.00 0.00 O ATOM 956 CB LYS A 58 110.648 4.138 14.445 1.00 0.00 C ATOM 957 CG LYS A 58 111.266 4.564 15.780 1.00 0.00 C ATOM 958 CD LYS A 58 110.325 5.541 16.488 1.00 0.00 C ATOM 959 CE LYS A 58 110.999 6.068 17.759 1.00 0.00 C ATOM 960 NZ LYS A 58 110.733 5.030 18.792 1.00 0.00 N ATOM 0 H LYS A 58 112.702 4.778 13.217 1.00 0.00 H new ATOM 0 HA LYS A 58 111.710 2.236 14.446 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.542 5.002 13.790 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.648 3.737 14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.440 3.690 16.408 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.235 5.033 15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.077 6.370 15.825 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.389 5.043 16.740 1.00 0.00 H new ATOM 0 HE2 LYS A 58 112.069 6.211 17.609 1.00 0.00 H new ATOM 0 HE3 LYS A 58 110.587 7.033 18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 111.105 5.350 19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.708 4.872 18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 111.200 4.142 18.520 1.00 0.00 H new ATOM 974 N TYR A 59 110.988 1.245 12.288 1.00 0.00 N ATOM 975 CA TYR A 59 110.394 0.611 11.072 1.00 0.00 C ATOM 976 C TYR A 59 109.202 -0.276 11.457 1.00 0.00 C ATOM 977 O TYR A 59 108.894 -0.426 12.626 1.00 0.00 O ATOM 978 CB TYR A 59 111.547 -0.202 10.460 1.00 0.00 C ATOM 979 CG TYR A 59 112.006 -1.385 11.290 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.033 -1.223 12.272 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.402 -2.667 11.094 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.454 -2.343 13.057 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.822 -3.783 11.879 1.00 0.00 C ATOM 984 CZ TYR A 59 112.848 -3.622 12.860 1.00 0.00 C ATOM 985 OH TYR A 59 113.256 -4.702 13.617 1.00 0.00 O ATOM 0 H TYR A 59 111.482 0.599 12.904 1.00 0.00 H new ATOM 0 HA TYR A 59 109.999 1.338 10.362 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.237 -0.563 9.480 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.396 0.463 10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.490 -0.256 12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.628 -2.791 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.230 -2.222 13.798 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.364 -4.750 11.731 1.00 0.00 H new ATOM 0 HH TYR A 59 112.743 -5.496 13.358 1.00 0.00 H new ATOM 995 N ILE A 60 108.542 -0.852 10.479 1.00 0.00 N ATOM 996 CA ILE A 60 107.434 -1.820 10.752 1.00 0.00 C ATOM 997 C ILE A 60 107.902 -3.220 10.340 1.00 0.00 C ATOM 998 O ILE A 60 108.414 -3.402 9.250 1.00 0.00 O ATOM 999 CB ILE A 60 106.238 -1.350 9.899 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.827 0.074 10.293 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.033 -2.275 10.118 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.904 0.657 9.220 1.00 0.00 C ATOM 0 H ILE A 60 108.728 -0.689 9.489 1.00 0.00 H new ATOM 0 HA ILE A 60 107.151 -1.860 11.804 1.00 0.00 H new ATOM 0 HB ILE A 60 106.543 -1.373 8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.319 0.063 11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.712 0.701 10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.196 -1.932 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.298 -3.292 9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.748 -2.259 11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.613 1.669 9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.428 0.683 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.013 0.035 9.129 1.00 0.00 H new ATOM 1014 N GLU A 61 107.730 -4.192 11.208 1.00 0.00 N ATOM 1015 CA GLU A 61 108.172 -5.587 10.903 1.00 0.00 C ATOM 1016 C GLU A 61 106.959 -6.470 10.600 1.00 0.00 C ATOM 1017 O GLU A 61 105.912 -6.306 11.202 1.00 0.00 O ATOM 1018 CB GLU A 61 108.868 -6.067 12.178 1.00 0.00 C ATOM 1019 CG GLU A 61 109.606 -7.377 11.896 1.00 0.00 C ATOM 1020 CD GLU A 61 110.203 -7.916 13.197 1.00 0.00 C ATOM 1021 OE1 GLU A 61 111.106 -7.283 13.720 1.00 0.00 O ATOM 1022 OE2 GLU A 61 109.748 -8.953 13.650 1.00 0.00 O ATOM 0 H GLU A 61 107.297 -4.073 12.124 1.00 0.00 H new ATOM 0 HA GLU A 61 108.828 -5.631 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.570 -5.310 12.528 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.135 -6.214 12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 61 108.920 -8.108 11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.395 -7.212 11.162 1.00 0.00 H new ATOM 1029 N THR A 62 107.100 -7.394 9.674 1.00 0.00 N ATOM 1030 CA THR A 62 105.986 -8.338 9.348 1.00 0.00 C ATOM 1031 C THR A 62 106.429 -9.792 9.551 1.00 0.00 C ATOM 1032 O THR A 62 107.527 -10.165 9.182 1.00 0.00 O ATOM 1033 CB THR A 62 105.654 -8.067 7.881 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.851 -8.076 7.115 1.00 0.00 O ATOM 1035 CG2 THR A 62 104.975 -6.701 7.764 1.00 0.00 C ATOM 0 H THR A 62 107.949 -7.533 9.127 1.00 0.00 H new ATOM 0 HA THR A 62 105.121 -8.190 9.994 1.00 0.00 H new ATOM 0 HB THR A 62 104.983 -8.840 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.292 -7.204 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.736 -6.502 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.058 -6.699 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.647 -5.928 8.136 1.00 0.00 H new ATOM 1043 N GLU A 63 105.564 -10.595 10.128 1.00 0.00 N ATOM 1044 CA GLU A 63 105.956 -11.966 10.600 1.00 0.00 C ATOM 1045 C GLU A 63 106.066 -12.958 9.433 1.00 0.00 C ATOM 1046 O GLU A 63 105.721 -12.641 8.309 1.00 0.00 O ATOM 1047 CB GLU A 63 104.877 -12.411 11.603 1.00 0.00 C ATOM 1048 CG GLU A 63 103.486 -12.448 10.955 1.00 0.00 C ATOM 1049 CD GLU A 63 102.552 -13.318 11.799 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.322 -12.966 12.945 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.082 -14.321 11.287 1.00 0.00 O ATOM 0 H GLU A 63 104.587 -10.355 10.295 1.00 0.00 H new ATOM 0 HA GLU A 63 106.941 -11.941 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.125 -13.399 11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.865 -11.729 12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.084 -11.438 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.555 -12.846 9.943 1.00 0.00 H new ATOM 1058 N ASP A 64 106.548 -14.152 9.714 1.00 0.00 N ATOM 1059 CA ASP A 64 106.740 -15.190 8.644 1.00 0.00 C ATOM 1060 C ASP A 64 105.373 -15.640 8.118 1.00 0.00 C ATOM 1061 O ASP A 64 104.438 -15.786 8.886 1.00 0.00 O ATOM 1062 CB ASP A 64 107.465 -16.374 9.307 1.00 0.00 C ATOM 1063 CG ASP A 64 108.824 -15.934 9.859 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.639 -15.473 9.079 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.026 -16.068 11.054 1.00 0.00 O ATOM 0 H ASP A 64 106.819 -14.453 10.650 1.00 0.00 H new ATOM 0 HA ASP A 64 107.316 -14.799 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 64 106.852 -16.777 10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.604 -17.175 8.581 1.00 0.00 H new ATOM 1070 N PHE A 65 105.259 -15.856 6.826 1.00 0.00 N ATOM 1071 CA PHE A 65 103.938 -16.208 6.214 1.00 0.00 C ATOM 1072 C PHE A 65 104.103 -17.338 5.191 1.00 0.00 C ATOM 1073 O PHE A 65 105.210 -17.658 4.799 1.00 0.00 O ATOM 1074 CB PHE A 65 103.450 -14.920 5.542 1.00 0.00 C ATOM 1075 CG PHE A 65 104.373 -14.386 4.470 1.00 0.00 C ATOM 1076 CD1 PHE A 65 104.206 -14.807 3.112 1.00 0.00 C ATOM 1077 CD2 PHE A 65 105.409 -13.462 4.808 1.00 0.00 C ATOM 1078 CE1 PHE A 65 105.076 -14.303 2.097 1.00 0.00 C ATOM 1079 CE2 PHE A 65 106.279 -12.959 3.793 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.113 -13.380 2.437 1.00 0.00 C ATOM 0 H PHE A 65 106.034 -15.802 6.165 1.00 0.00 H new ATOM 0 HA PHE A 65 103.224 -16.568 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.470 -15.103 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.318 -14.154 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 65 103.423 -15.505 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 65 105.534 -13.143 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 65 104.950 -14.620 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 65 107.062 -12.261 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.771 -13.001 1.669 1.00 0.00 H new ATOM 1090 N GLU A 66 103.009 -17.930 4.767 1.00 0.00 N ATOM 1091 CA GLU A 66 103.065 -19.025 3.749 1.00 0.00 C ATOM 1092 C GLU A 66 102.167 -18.695 2.552 1.00 0.00 C ATOM 1093 O GLU A 66 101.155 -18.031 2.694 1.00 0.00 O ATOM 1094 CB GLU A 66 102.554 -20.274 4.476 1.00 0.00 C ATOM 1095 CG GLU A 66 103.720 -20.987 5.166 1.00 0.00 C ATOM 1096 CD GLU A 66 103.210 -22.180 5.981 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.145 -22.072 6.569 1.00 0.00 O ATOM 1098 OE2 GLU A 66 103.901 -23.186 6.010 1.00 0.00 O ATOM 0 H GLU A 66 102.070 -17.696 5.089 1.00 0.00 H new ATOM 0 HA GLU A 66 104.072 -19.164 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.800 -19.994 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.073 -20.947 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.438 -21.328 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.245 -20.290 5.819 1.00 0.00 H new ATOM 1105 N PHE A 67 102.545 -19.160 1.385 1.00 0.00 N ATOM 1106 CA PHE A 67 101.698 -18.999 0.164 1.00 0.00 C ATOM 1107 C PHE A 67 101.918 -20.201 -0.762 1.00 0.00 C ATOM 1108 O PHE A 67 103.040 -20.617 -0.979 1.00 0.00 O ATOM 1109 CB PHE A 67 102.186 -17.702 -0.490 1.00 0.00 C ATOM 1110 CG PHE A 67 101.466 -17.354 -1.775 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.275 -16.564 -1.740 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.978 -17.820 -3.026 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.597 -16.240 -2.956 1.00 0.00 C ATOM 1114 CE2 PHE A 67 101.299 -17.495 -4.241 1.00 0.00 C ATOM 1115 CZ PHE A 67 100.110 -16.706 -4.206 1.00 0.00 C ATOM 0 H PHE A 67 103.423 -19.654 1.226 1.00 0.00 H new ATOM 0 HA PHE A 67 100.632 -18.952 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.063 -16.882 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.253 -17.789 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.888 -16.212 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.877 -18.417 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.697 -15.643 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.686 -17.847 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.598 -16.461 -5.125 1.00 0.00 H new ATOM 1125 N ASN A 68 100.854 -20.760 -1.301 1.00 0.00 N ATOM 1126 CA ASN A 68 100.945 -21.928 -2.250 1.00 0.00 C ATOM 1127 C ASN A 68 101.794 -23.076 -1.675 1.00 0.00 C ATOM 1128 O ASN A 68 102.470 -23.777 -2.409 1.00 0.00 O ATOM 1129 CB ASN A 68 101.571 -21.376 -3.537 1.00 0.00 C ATOM 1130 CG ASN A 68 100.551 -20.502 -4.272 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.783 -19.792 -3.653 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.512 -20.525 -5.575 1.00 0.00 N ATOM 0 H ASN A 68 99.900 -20.447 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 68 99.958 -22.355 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.460 -20.792 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.891 -22.197 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.837 -19.947 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.157 -21.121 -6.094 1.00 0.00 H new ATOM 1139 N GLY A 69 101.752 -23.260 -0.374 1.00 0.00 N ATOM 1140 CA GLY A 69 102.476 -24.399 0.275 1.00 0.00 C ATOM 1141 C GLY A 69 103.981 -24.116 0.409 1.00 0.00 C ATOM 1142 O GLY A 69 104.750 -25.037 0.625 1.00 0.00 O ATOM 0 H GLY A 69 101.239 -22.660 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.052 -24.584 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.327 -25.306 -0.311 1.00 0.00 H new ATOM 1146 N LYS A 70 104.404 -22.875 0.289 1.00 0.00 N ATOM 1147 CA LYS A 70 105.854 -22.533 0.421 1.00 0.00 C ATOM 1148 C LYS A 70 106.041 -21.506 1.542 1.00 0.00 C ATOM 1149 O LYS A 70 105.234 -20.607 1.691 1.00 0.00 O ATOM 1150 CB LYS A 70 106.248 -21.929 -0.929 1.00 0.00 C ATOM 1151 CG LYS A 70 106.192 -23.008 -2.011 1.00 0.00 C ATOM 1152 CD LYS A 70 106.685 -22.427 -3.337 1.00 0.00 C ATOM 1153 CE LYS A 70 106.508 -23.467 -4.447 1.00 0.00 C ATOM 1154 NZ LYS A 70 106.413 -22.674 -5.705 1.00 0.00 N ATOM 0 H LYS A 70 103.795 -22.078 0.103 1.00 0.00 H new ATOM 0 HA LYS A 70 106.466 -23.400 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.575 -21.110 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.252 -21.509 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.809 -23.859 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.172 -23.376 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 70 106.128 -21.522 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.734 -22.143 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.350 -24.158 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 105.611 -24.065 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 106.290 -23.318 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 105.598 -22.030 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.284 -22.120 -5.833 1.00 0.00 H new ATOM 1168 N ARG A 71 107.092 -21.645 2.316 1.00 0.00 N ATOM 1169 CA ARG A 71 107.322 -20.730 3.479 1.00 0.00 C ATOM 1170 C ARG A 71 108.213 -19.554 3.068 1.00 0.00 C ATOM 1171 O ARG A 71 109.243 -19.743 2.447 1.00 0.00 O ATOM 1172 CB ARG A 71 108.018 -21.587 4.539 1.00 0.00 C ATOM 1173 CG ARG A 71 107.040 -22.643 5.058 1.00 0.00 C ATOM 1174 CD ARG A 71 107.714 -23.474 6.156 1.00 0.00 C ATOM 1175 NE ARG A 71 106.709 -24.516 6.553 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.053 -25.675 7.082 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.299 -26.007 7.335 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.112 -26.527 7.380 1.00 0.00 N ATOM 0 H ARG A 71 107.807 -22.361 2.190 1.00 0.00 H new ATOM 0 HA ARG A 71 106.390 -20.304 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 71 108.898 -22.068 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.364 -20.960 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.144 -22.162 5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.722 -23.291 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.632 -23.935 5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 71 107.988 -22.850 7.007 1.00 0.00 H new ATOM 0 HE ARG A 71 105.719 -24.320 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.054 -25.355 7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.511 -26.917 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.136 -26.291 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.352 -27.430 7.790 1.00 0.00 H new ATOM 1192 N PHE A 72 107.810 -18.352 3.413 1.00 0.00 N ATOM 1193 CA PHE A 72 108.626 -17.138 3.106 1.00 0.00 C ATOM 1194 C PHE A 72 108.978 -16.413 4.405 1.00 0.00 C ATOM 1195 O PHE A 72 108.178 -16.366 5.324 1.00 0.00 O ATOM 1196 CB PHE A 72 107.726 -16.269 2.226 1.00 0.00 C ATOM 1197 CG PHE A 72 107.372 -16.915 0.907 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.336 -17.898 0.847 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.074 -16.544 -0.281 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.002 -18.509 -0.401 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.739 -17.154 -1.530 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.703 -18.137 -1.589 1.00 0.00 C ATOM 0 H PHE A 72 106.935 -18.161 3.902 1.00 0.00 H new ATOM 0 HA PHE A 72 109.565 -17.377 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.808 -16.043 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.225 -15.319 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.806 -18.179 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.858 -15.803 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.220 -19.252 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.268 -16.872 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.450 -18.599 -2.532 1.00 0.00 H new ATOM 1212 N PHE A 73 110.160 -15.845 4.473 1.00 0.00 N ATOM 1213 CA PHE A 73 110.696 -15.339 5.776 1.00 0.00 C ATOM 1214 C PHE A 73 110.213 -13.909 6.035 1.00 0.00 C ATOM 1215 O PHE A 73 109.870 -13.190 5.113 1.00 0.00 O ATOM 1216 CB PHE A 73 112.221 -15.376 5.641 1.00 0.00 C ATOM 1217 CG PHE A 73 112.772 -16.769 5.451 1.00 0.00 C ATOM 1218 CD1 PHE A 73 112.992 -17.614 6.584 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.077 -17.242 4.138 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.515 -18.931 6.403 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.601 -18.561 3.956 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.819 -19.404 5.089 1.00 0.00 C ATOM 0 H PHE A 73 110.780 -15.710 3.675 1.00 0.00 H new ATOM 0 HA PHE A 73 110.354 -15.946 6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.519 -14.757 4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.668 -14.935 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 73 112.763 -17.256 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.912 -16.604 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 73 113.681 -19.569 7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.831 -18.919 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.214 -20.400 4.952 1.00 0.00 H new ATOM 1232 N GLY A 74 110.190 -13.506 7.287 1.00 0.00 N ATOM 1233 CA GLY A 74 109.658 -12.164 7.670 1.00 0.00 C ATOM 1234 C GLY A 74 110.554 -11.060 7.104 1.00 0.00 C ATOM 1235 O GLY A 74 111.691 -11.305 6.740 1.00 0.00 O ATOM 0 H GLY A 74 110.525 -14.065 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.642 -12.047 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.608 -12.081 8.756 1.00 0.00 H new ATOM 1239 N VAL A 75 110.040 -9.854 7.035 1.00 0.00 N ATOM 1240 CA VAL A 75 110.789 -8.729 6.391 1.00 0.00 C ATOM 1241 C VAL A 75 110.616 -7.441 7.201 1.00 0.00 C ATOM 1242 O VAL A 75 109.650 -7.293 7.929 1.00 0.00 O ATOM 1243 CB VAL A 75 110.213 -8.572 4.971 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.490 -9.843 4.163 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.700 -8.319 5.002 1.00 0.00 C ATOM 0 H VAL A 75 109.123 -9.600 7.402 1.00 0.00 H new ATOM 0 HA VAL A 75 111.858 -8.937 6.351 1.00 0.00 H new ATOM 0 HB VAL A 75 110.696 -7.712 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.082 -9.732 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.566 -10.008 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.019 -10.695 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.328 -8.213 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.201 -9.159 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.495 -7.405 5.560 1.00 0.00 H new ATOM 1255 N LYS A 76 111.549 -6.524 7.074 1.00 0.00 N ATOM 1256 CA LYS A 76 111.435 -5.200 7.759 1.00 0.00 C ATOM 1257 C LYS A 76 111.350 -4.088 6.711 1.00 0.00 C ATOM 1258 O LYS A 76 112.077 -4.109 5.733 1.00 0.00 O ATOM 1259 CB LYS A 76 112.718 -5.058 8.582 1.00 0.00 C ATOM 1260 CG LYS A 76 112.761 -6.122 9.682 1.00 0.00 C ATOM 1261 CD LYS A 76 113.953 -5.861 10.606 1.00 0.00 C ATOM 1262 CE LYS A 76 115.258 -6.197 9.876 1.00 0.00 C ATOM 1263 NZ LYS A 76 116.211 -6.586 10.954 1.00 0.00 N ATOM 0 H LYS A 76 112.395 -6.642 6.516 1.00 0.00 H new ATOM 0 HA LYS A 76 110.546 -5.131 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.588 -5.160 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.766 -4.064 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.834 -6.104 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.843 -7.114 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.960 -4.817 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.864 -6.465 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 76 115.114 -7.009 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 76 115.627 -5.340 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 117.024 -7.082 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.543 -5.733 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.732 -7.214 11.631 1.00 0.00 H new ATOM 1277 N VAL A 77 110.474 -3.129 6.914 1.00 0.00 N ATOM 1278 CA VAL A 77 110.274 -2.038 5.906 1.00 0.00 C ATOM 1279 C VAL A 77 110.235 -0.683 6.626 1.00 0.00 C ATOM 1280 O VAL A 77 109.690 -0.576 7.709 1.00 0.00 O ATOM 1281 CB VAL A 77 108.932 -2.342 5.211 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.646 -1.300 4.123 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.971 -3.724 4.548 1.00 0.00 C ATOM 0 H VAL A 77 109.884 -3.056 7.743 1.00 0.00 H new ATOM 0 HA VAL A 77 111.081 -1.993 5.175 1.00 0.00 H new ATOM 0 HB VAL A 77 108.151 -2.315 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.695 -1.528 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.596 -0.308 4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.443 -1.322 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.015 -3.922 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.768 -3.749 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.158 -4.486 5.305 1.00 0.00 H new ATOM 1293 N LEU A 78 110.809 0.335 6.024 1.00 0.00 N ATOM 1294 CA LEU A 78 110.781 1.705 6.626 1.00 0.00 C ATOM 1295 C LEU A 78 110.490 2.757 5.536 1.00 0.00 C ATOM 1296 O LEU A 78 111.199 2.783 4.547 1.00 0.00 O ATOM 1297 CB LEU A 78 112.188 1.885 7.205 1.00 0.00 C ATOM 1298 CG LEU A 78 112.306 3.217 7.955 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.444 3.193 9.220 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.766 3.432 8.353 1.00 0.00 C ATOM 0 H LEU A 78 111.300 0.272 5.132 1.00 0.00 H new ATOM 0 HA LEU A 78 110.006 1.825 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.415 1.061 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.923 1.849 6.401 1.00 0.00 H new ATOM 0 HG LEU A 78 111.964 4.024 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.538 4.145 9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.401 3.030 8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.778 2.387 9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.862 4.377 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.091 2.616 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.387 3.457 7.458 1.00 0.00 H new ATOM 1312 N PRO A 79 109.473 3.590 5.721 1.00 0.00 N ATOM 1313 CA PRO A 79 109.171 4.673 4.726 1.00 0.00 C ATOM 1314 C PRO A 79 110.321 5.684 4.632 1.00 0.00 C ATOM 1315 O PRO A 79 111.014 5.928 5.602 1.00 0.00 O ATOM 1316 CB PRO A 79 107.915 5.340 5.298 1.00 0.00 C ATOM 1317 CG PRO A 79 107.315 4.287 6.160 1.00 0.00 C ATOM 1318 CD PRO A 79 108.489 3.632 6.822 1.00 0.00 C ATOM 0 HA PRO A 79 109.035 4.287 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.162 6.233 5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.230 5.648 4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.633 4.716 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.741 3.572 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.852 4.208 7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.246 2.636 7.192 1.00 0.00 H new ATOM 1326 N ILE A 80 110.515 6.262 3.467 1.00 0.00 N ATOM 1327 CA ILE A 80 111.491 7.387 3.306 1.00 0.00 C ATOM 1328 C ILE A 80 110.935 8.442 2.340 1.00 0.00 C ATOM 1329 O ILE A 80 109.933 8.218 1.685 1.00 0.00 O ATOM 1330 CB ILE A 80 112.790 6.770 2.753 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.540 6.057 1.412 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.359 5.774 3.771 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.874 5.677 0.761 1.00 0.00 C ATOM 0 H ILE A 80 110.030 5.996 2.610 1.00 0.00 H new ATOM 0 HA ILE A 80 111.675 7.888 4.257 1.00 0.00 H new ATOM 0 HB ILE A 80 113.506 7.574 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.938 5.163 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.973 6.707 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.278 5.338 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.573 6.292 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.631 4.983 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.686 5.173 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.462 6.578 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.425 5.009 1.423 1.00 0.00 H new ATOM 1345 N LYS A 81 111.588 9.578 2.256 1.00 0.00 N ATOM 1346 CA LYS A 81 111.293 10.561 1.170 1.00 0.00 C ATOM 1347 C LYS A 81 112.517 10.681 0.259 1.00 0.00 C ATOM 1348 O LYS A 81 113.624 10.842 0.737 1.00 0.00 O ATOM 1349 CB LYS A 81 111.020 11.889 1.880 1.00 0.00 C ATOM 1350 CG LYS A 81 109.754 11.779 2.736 1.00 0.00 C ATOM 1351 CD LYS A 81 108.523 11.720 1.829 1.00 0.00 C ATOM 1352 CE LYS A 81 107.270 12.029 2.652 1.00 0.00 C ATOM 1353 NZ LYS A 81 107.209 13.515 2.719 1.00 0.00 N ATOM 0 H LYS A 81 112.322 9.867 2.903 1.00 0.00 H new ATOM 0 HA LYS A 81 110.445 10.263 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.870 12.156 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.903 12.686 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.801 10.886 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.682 12.634 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.623 12.438 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.439 10.733 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.377 11.618 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.334 11.591 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.878 13.807 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 108.156 13.909 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.550 13.868 1.996 1.00 0.00 H new ATOM 1367 N ILE A 82 112.318 10.605 -1.038 1.00 0.00 N ATOM 1368 CA ILE A 82 113.469 10.601 -1.997 1.00 0.00 C ATOM 1369 C ILE A 82 113.531 11.964 -2.696 1.00 0.00 C ATOM 1370 O ILE A 82 112.563 12.393 -3.299 1.00 0.00 O ATOM 1371 CB ILE A 82 113.181 9.465 -2.999 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.075 8.119 -2.268 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.315 9.362 -4.028 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.439 7.080 -3.194 1.00 0.00 C ATOM 0 H ILE A 82 111.398 10.545 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 82 114.429 10.438 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 82 112.240 9.692 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.064 7.785 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.476 8.231 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.098 8.556 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.399 10.303 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.254 9.154 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.365 6.125 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.443 7.413 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.056 6.960 -4.085 1.00 0.00 H new ATOM 1386 N LEU A 83 114.661 12.629 -2.611 1.00 0.00 N ATOM 1387 CA LEU A 83 114.811 13.985 -3.224 1.00 0.00 C ATOM 1388 C LEU A 83 115.730 13.913 -4.445 1.00 0.00 C ATOM 1389 O LEU A 83 116.900 13.595 -4.323 1.00 0.00 O ATOM 1390 CB LEU A 83 115.442 14.854 -2.131 1.00 0.00 C ATOM 1391 CG LEU A 83 114.473 15.008 -0.954 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.206 15.644 0.228 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.303 15.906 -1.366 1.00 0.00 C ATOM 0 H LEU A 83 115.495 12.283 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 83 113.857 14.389 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.373 14.402 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.694 15.834 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 83 114.095 14.027 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.518 15.754 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 116.040 15.007 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.584 16.624 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.615 16.014 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.681 16.887 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.779 15.457 -2.210 1.00 0.00 H new ATOM 1405 N ILE A 84 115.200 14.208 -5.611 1.00 0.00 N ATOM 1406 CA ILE A 84 116.027 14.236 -6.858 1.00 0.00 C ATOM 1407 C ILE A 84 115.758 15.560 -7.584 1.00 0.00 C ATOM 1408 O ILE A 84 114.625 15.859 -7.922 1.00 0.00 O ATOM 1409 CB ILE A 84 115.573 13.026 -7.699 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.803 11.722 -6.925 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.375 12.957 -9.006 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.041 10.579 -7.600 1.00 0.00 C ATOM 0 H ILE A 84 114.215 14.433 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 84 117.098 14.173 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 84 114.512 13.147 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.868 11.491 -6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.468 11.836 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.045 12.098 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.215 13.870 -9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.436 12.854 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.207 9.654 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.976 10.809 -7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.397 10.459 -8.623 1.00 0.00 H new ATOM 1424 N GLY A 85 116.786 16.346 -7.816 1.00 0.00 N ATOM 1425 CA GLY A 85 116.619 17.670 -8.493 1.00 0.00 C ATOM 1426 C GLY A 85 115.774 18.602 -7.618 1.00 0.00 C ATOM 1427 O GLY A 85 116.148 18.909 -6.498 1.00 0.00 O ATOM 0 H GLY A 85 117.747 16.120 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.595 18.118 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.140 17.534 -9.463 1.00 0.00 H new ATOM 1431 N ASN A 86 114.648 19.048 -8.127 1.00 0.00 N ATOM 1432 CA ASN A 86 113.714 19.899 -7.326 1.00 0.00 C ATOM 1433 C ASN A 86 112.410 19.158 -6.990 1.00 0.00 C ATOM 1434 O ASN A 86 111.435 19.791 -6.624 1.00 0.00 O ATOM 1435 CB ASN A 86 113.420 21.106 -8.219 1.00 0.00 C ATOM 1436 CG ASN A 86 114.686 21.954 -8.375 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.444 22.114 -7.438 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.947 22.507 -9.527 1.00 0.00 N ATOM 0 H ASN A 86 114.334 18.854 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 86 114.156 20.177 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 86 113.072 20.771 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.620 21.706 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.787 23.074 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.311 22.373 -10.313 1.00 0.00 H new ATOM 1445 N LYS A 87 112.383 17.846 -7.108 1.00 0.00 N ATOM 1446 CA LYS A 87 111.114 17.077 -6.907 1.00 0.00 C ATOM 1447 C LYS A 87 111.276 16.062 -5.772 1.00 0.00 C ATOM 1448 O LYS A 87 112.337 15.487 -5.605 1.00 0.00 O ATOM 1449 CB LYS A 87 110.867 16.355 -8.234 1.00 0.00 C ATOM 1450 CG LYS A 87 110.577 17.374 -9.340 1.00 0.00 C ATOM 1451 CD LYS A 87 109.194 17.992 -9.122 1.00 0.00 C ATOM 1452 CE LYS A 87 108.829 18.865 -10.324 1.00 0.00 C ATOM 1453 NZ LYS A 87 107.340 18.924 -10.317 1.00 0.00 N ATOM 0 H LYS A 87 113.196 17.274 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 87 110.283 17.728 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.739 15.757 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 110.027 15.668 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 87 111.339 18.154 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 87 110.620 16.889 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 87 108.450 17.207 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.191 18.590 -8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.264 19.860 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 87 109.203 18.435 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 107.012 19.506 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 106.954 17.963 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 107.013 19.344 -9.424 1.00 0.00 H new ATOM 1467 N LYS A 88 110.230 15.848 -5.005 1.00 0.00 N ATOM 1468 CA LYS A 88 110.268 14.838 -3.899 1.00 0.00 C ATOM 1469 C LYS A 88 109.150 13.804 -4.086 1.00 0.00 C ATOM 1470 O LYS A 88 108.004 14.159 -4.295 1.00 0.00 O ATOM 1471 CB LYS A 88 110.101 15.629 -2.590 1.00 0.00 C ATOM 1472 CG LYS A 88 108.777 16.406 -2.557 1.00 0.00 C ATOM 1473 CD LYS A 88 108.688 17.201 -1.252 1.00 0.00 C ATOM 1474 CE LYS A 88 107.269 17.748 -1.083 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.372 18.754 0.011 1.00 0.00 N ATOM 0 H LYS A 88 109.341 16.338 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 88 111.204 14.280 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.141 14.943 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.933 16.324 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.717 17.080 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.936 15.717 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.946 16.563 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.406 18.021 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.909 18.203 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.568 16.954 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.437 19.174 0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.711 18.290 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 108.041 19.501 -0.266 1.00 0.00 H new ATOM 1489 N ILE A 89 109.491 12.537 -4.015 1.00 0.00 N ATOM 1490 CA ILE A 89 108.478 11.447 -4.187 1.00 0.00 C ATOM 1491 C ILE A 89 108.553 10.502 -2.980 1.00 0.00 C ATOM 1492 O ILE A 89 109.611 10.317 -2.408 1.00 0.00 O ATOM 1493 CB ILE A 89 108.854 10.722 -5.495 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.811 11.699 -6.679 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.864 9.584 -5.779 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.526 11.079 -7.883 1.00 0.00 C ATOM 0 H ILE A 89 110.441 12.209 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 89 107.457 11.824 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 89 109.861 10.321 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.777 11.929 -6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.288 12.640 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.143 9.082 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.887 8.868 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.858 9.993 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.494 11.774 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.564 10.871 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.029 10.150 -8.162 1.00 0.00 H new ATOM 1508 N ASP A 90 107.437 9.917 -2.602 1.00 0.00 N ATOM 1509 CA ASP A 90 107.426 8.940 -1.463 1.00 0.00 C ATOM 1510 C ASP A 90 108.066 7.620 -1.900 1.00 0.00 C ATOM 1511 O ASP A 90 107.817 7.147 -2.994 1.00 0.00 O ATOM 1512 CB ASP A 90 105.953 8.716 -1.102 1.00 0.00 C ATOM 1513 CG ASP A 90 105.351 10.016 -0.564 1.00 0.00 C ATOM 1514 OD1 ASP A 90 104.839 10.784 -1.363 1.00 0.00 O ATOM 1515 OD2 ASP A 90 105.410 10.220 0.637 1.00 0.00 O ATOM 0 H ASP A 90 106.528 10.076 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 90 107.990 9.317 -0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.400 8.384 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.868 7.927 -0.354 1.00 0.00 H new ATOM 1520 N GLY A 91 108.885 7.037 -1.053 1.00 0.00 N ATOM 1521 CA GLY A 91 109.510 5.716 -1.367 1.00 0.00 C ATOM 1522 C GLY A 91 109.670 4.914 -0.074 1.00 0.00 C ATOM 1523 O GLY A 91 109.145 5.297 0.958 1.00 0.00 O ATOM 0 H GLY A 91 109.148 7.428 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.890 5.166 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.481 5.863 -1.840 1.00 0.00 H new ATOM 1527 N ALA A 92 110.385 3.815 -0.131 1.00 0.00 N ATOM 1528 CA ALA A 92 110.607 2.971 1.085 1.00 0.00 C ATOM 1529 C ALA A 92 111.837 2.083 0.895 1.00 0.00 C ATOM 1530 O ALA A 92 112.209 1.771 -0.220 1.00 0.00 O ATOM 1531 CB ALA A 92 109.341 2.122 1.217 1.00 0.00 C ATOM 0 H ALA A 92 110.829 3.464 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 92 110.787 3.571 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.427 1.474 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.476 2.775 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.217 1.512 0.322 1.00 0.00 H new ATOM 1537 N ILE A 93 112.459 1.681 1.980 1.00 0.00 N ATOM 1538 CA ILE A 93 113.657 0.786 1.903 1.00 0.00 C ATOM 1539 C ILE A 93 113.258 -0.607 2.407 1.00 0.00 C ATOM 1540 O ILE A 93 112.487 -0.726 3.344 1.00 0.00 O ATOM 1541 CB ILE A 93 114.726 1.415 2.818 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.067 2.837 2.354 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.014 0.583 2.787 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.833 3.568 3.461 1.00 0.00 C ATOM 0 H ILE A 93 112.183 1.939 2.927 1.00 0.00 H new ATOM 0 HA ILE A 93 114.039 0.684 0.887 1.00 0.00 H new ATOM 0 HB ILE A 93 114.319 1.441 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.668 2.800 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.154 3.380 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.759 1.041 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.802 -0.429 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.398 0.545 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.075 4.578 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.216 3.618 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.754 3.029 3.683 1.00 0.00 H new ATOM 1556 N VAL A 94 113.779 -1.642 1.787 1.00 0.00 N ATOM 1557 CA VAL A 94 113.383 -3.042 2.144 1.00 0.00 C ATOM 1558 C VAL A 94 114.630 -3.825 2.577 1.00 0.00 C ATOM 1559 O VAL A 94 115.643 -3.801 1.902 1.00 0.00 O ATOM 1560 CB VAL A 94 112.760 -3.643 0.868 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.282 -5.076 1.129 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.549 -2.814 0.421 1.00 0.00 C ATOM 0 H VAL A 94 114.470 -1.574 1.040 1.00 0.00 H new ATOM 0 HA VAL A 94 112.673 -3.078 2.971 1.00 0.00 H new ATOM 0 HB VAL A 94 113.526 -3.638 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.845 -5.485 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.128 -5.692 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.533 -5.071 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.121 -3.252 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.800 -2.809 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.865 -1.792 0.213 1.00 0.00 H new ATOM 1572 N VAL A 95 114.546 -4.511 3.694 1.00 0.00 N ATOM 1573 CA VAL A 95 115.670 -5.385 4.158 1.00 0.00 C ATOM 1574 C VAL A 95 115.073 -6.659 4.794 1.00 0.00 C ATOM 1575 O VAL A 95 114.168 -6.538 5.598 1.00 0.00 O ATOM 1576 CB VAL A 95 116.449 -4.552 5.195 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.636 -5.353 5.742 1.00 0.00 C ATOM 1578 CG2 VAL A 95 116.993 -3.273 4.547 1.00 0.00 C ATOM 0 H VAL A 95 113.734 -4.501 4.311 1.00 0.00 H new ATOM 0 HA VAL A 95 116.330 -5.697 3.349 1.00 0.00 H new ATOM 0 HB VAL A 95 115.765 -4.301 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.176 -4.751 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.272 -6.263 6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.306 -5.616 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.541 -2.694 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.661 -3.536 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.164 -2.679 4.163 1.00 0.00 H new ATOM 1588 N PRO A 96 115.569 -7.837 4.437 1.00 0.00 N ATOM 1589 CA PRO A 96 115.067 -9.108 5.056 1.00 0.00 C ATOM 1590 C PRO A 96 115.235 -9.104 6.582 1.00 0.00 C ATOM 1591 O PRO A 96 116.094 -8.419 7.109 1.00 0.00 O ATOM 1592 CB PRO A 96 115.954 -10.183 4.423 1.00 0.00 C ATOM 1593 CG PRO A 96 116.364 -9.578 3.126 1.00 0.00 C ATOM 1594 CD PRO A 96 116.618 -8.135 3.438 1.00 0.00 C ATOM 0 HA PRO A 96 114.002 -9.262 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.816 -10.411 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.410 -11.116 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.258 -10.060 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.583 -9.688 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.619 -7.976 3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.527 -7.506 2.553 1.00 0.00 H new ATOM 1602 N LYS A 97 114.421 -9.868 7.279 1.00 0.00 N ATOM 1603 CA LYS A 97 114.504 -9.925 8.779 1.00 0.00 C ATOM 1604 C LYS A 97 115.840 -10.529 9.227 1.00 0.00 C ATOM 1605 O LYS A 97 116.378 -10.142 10.250 1.00 0.00 O ATOM 1606 CB LYS A 97 113.341 -10.814 9.241 1.00 0.00 C ATOM 1607 CG LYS A 97 113.187 -10.710 10.760 1.00 0.00 C ATOM 1608 CD LYS A 97 112.073 -11.649 11.226 1.00 0.00 C ATOM 1609 CE LYS A 97 111.818 -11.436 12.721 1.00 0.00 C ATOM 1610 NZ LYS A 97 111.138 -12.681 13.174 1.00 0.00 N ATOM 0 H LYS A 97 113.697 -10.459 6.870 1.00 0.00 H new ATOM 0 HA LYS A 97 114.441 -8.926 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.418 -10.507 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.525 -11.849 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.125 -10.971 11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.954 -9.684 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.161 -11.458 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.354 -12.685 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.751 -11.276 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 97 111.194 -10.559 12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.929 -12.612 14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.250 -12.804 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 111.759 -13.498 13.002 1.00 0.00 H new ATOM 1624 N LYS A 98 116.367 -11.463 8.466 1.00 0.00 N ATOM 1625 CA LYS A 98 117.643 -12.145 8.853 1.00 0.00 C ATOM 1626 C LYS A 98 118.846 -11.354 8.331 1.00 0.00 C ATOM 1627 O LYS A 98 119.043 -11.244 7.134 1.00 0.00 O ATOM 1628 CB LYS A 98 117.591 -13.529 8.200 1.00 0.00 C ATOM 1629 CG LYS A 98 116.470 -14.355 8.834 1.00 0.00 C ATOM 1630 CD LYS A 98 116.490 -15.772 8.257 1.00 0.00 C ATOM 1631 CE LYS A 98 115.282 -16.552 8.779 1.00 0.00 C ATOM 1632 NZ LYS A 98 115.562 -17.974 8.431 1.00 0.00 N ATOM 0 H LYS A 98 115.962 -11.783 7.586 1.00 0.00 H new ATOM 0 HA LYS A 98 117.749 -12.217 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.421 -13.430 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 98 118.547 -14.038 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 98 116.597 -14.390 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 98 115.505 -13.886 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 98 116.468 -15.733 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 98 117.413 -16.278 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 98 115.165 -16.425 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 98 114.358 -16.206 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 115.132 -18.197 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 116.590 -18.123 8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 115.159 -18.596 9.161 1.00 0.00 H new ATOM 1646 N THR A 99 119.640 -10.812 9.227 1.00 0.00 N ATOM 1647 CA THR A 99 120.861 -10.049 8.824 1.00 0.00 C ATOM 1648 C THR A 99 122.065 -10.513 9.648 1.00 0.00 C ATOM 1649 O THR A 99 121.947 -10.738 10.841 1.00 0.00 O ATOM 1650 CB THR A 99 120.531 -8.586 9.126 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.277 -8.257 8.548 1.00 0.00 O ATOM 1652 CG2 THR A 99 121.619 -7.683 8.540 1.00 0.00 C ATOM 0 H THR A 99 119.489 -10.869 10.234 1.00 0.00 H new ATOM 0 HA THR A 99 121.118 -10.198 7.775 1.00 0.00 H new ATOM 0 HB THR A 99 120.484 -8.439 10.205 1.00 0.00 H new ATOM 0 HG1 THR A 99 119.063 -7.320 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.382 -6.641 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 99 122.581 -7.937 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.669 -7.827 7.461 1.00 0.00 H new ATOM 1660 N TYR A 100 123.208 -10.654 9.017 1.00 0.00 N ATOM 1661 CA TYR A 100 124.441 -11.107 9.734 1.00 0.00 C ATOM 1662 C TYR A 100 125.293 -9.899 10.139 1.00 0.00 C ATOM 1663 O TYR A 100 125.591 -9.717 11.306 1.00 0.00 O ATOM 1664 CB TYR A 100 125.191 -11.983 8.730 1.00 0.00 C ATOM 1665 CG TYR A 100 126.113 -12.989 9.379 1.00 0.00 C ATOM 1666 CD1 TYR A 100 127.148 -12.547 10.258 1.00 0.00 C ATOM 1667 CD2 TYR A 100 125.948 -14.383 9.113 1.00 0.00 C ATOM 1668 CE1 TYR A 100 128.021 -13.498 10.872 1.00 0.00 C ATOM 1669 CE2 TYR A 100 126.821 -15.336 9.727 1.00 0.00 C ATOM 1670 CZ TYR A 100 127.857 -14.894 10.606 1.00 0.00 C ATOM 1671 OH TYR A 100 128.698 -15.811 11.197 1.00 0.00 O ATOM 0 H TYR A 100 123.339 -10.471 8.022 1.00 0.00 H new ATOM 0 HA TYR A 100 124.207 -11.651 10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 100 124.467 -12.512 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 100 125.773 -11.344 8.066 1.00 0.00 H new ATOM 0 HD1 TYR A 100 127.271 -11.493 10.459 1.00 0.00 H new ATOM 0 HD2 TYR A 100 125.165 -14.717 8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 100 128.804 -13.163 11.536 1.00 0.00 H new ATOM 0 HE2 TYR A 100 126.697 -16.390 9.526 1.00 0.00 H new ATOM 0 HH TYR A 100 128.449 -16.715 10.911 1.00 0.00 H new ATOM 1681 N HIS A 101 125.676 -9.088 9.179 1.00 0.00 N ATOM 1682 CA HIS A 101 126.512 -7.883 9.469 1.00 0.00 C ATOM 1683 C HIS A 101 125.889 -6.639 8.827 1.00 0.00 C ATOM 1684 O HIS A 101 124.843 -6.722 8.209 1.00 0.00 O ATOM 1685 CB HIS A 101 127.874 -8.183 8.843 1.00 0.00 C ATOM 1686 CG HIS A 101 128.610 -9.311 9.513 1.00 0.00 C ATOM 1687 ND1 HIS A 101 128.883 -9.312 10.871 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.138 -10.481 9.024 1.00 0.00 C ATOM 1689 CE1 HIS A 101 129.548 -10.446 11.151 1.00 0.00 C ATOM 1690 NE2 HIS A 101 129.731 -11.196 10.062 1.00 0.00 N ATOM 0 H HIS A 101 125.440 -9.214 8.195 1.00 0.00 H new ATOM 0 HA HIS A 101 126.590 -7.684 10.538 1.00 0.00 H new ATOM 0 HB2 HIS A 101 127.735 -8.426 7.790 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.489 -7.284 8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.099 -10.798 7.992 1.00 0.00 H new ATOM 0 HE1 HIS A 101 129.893 -10.718 12.138 1.00 0.00 H new ATOM 0 HE2 HIS A 101 130.203 -12.098 10.003 1.00 0.00 H new ATOM 1698 N SER A 102 126.530 -5.503 8.976 1.00 0.00 N ATOM 1699 CA SER A 102 126.017 -4.237 8.368 1.00 0.00 C ATOM 1700 C SER A 102 126.739 -3.957 7.047 1.00 0.00 C ATOM 1701 O SER A 102 127.866 -4.378 6.859 1.00 0.00 O ATOM 1702 CB SER A 102 126.331 -3.145 9.393 1.00 0.00 C ATOM 1703 OG SER A 102 125.673 -3.448 10.617 1.00 0.00 O ATOM 0 H SER A 102 127.399 -5.400 9.501 1.00 0.00 H new ATOM 0 HA SER A 102 124.951 -4.289 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.407 -3.078 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.003 -2.175 9.020 1.00 0.00 H new ATOM 0 HG SER A 102 125.873 -2.752 11.277 1.00 0.00 H new ATOM 1709 N SER A 103 126.091 -3.253 6.147 1.00 0.00 N ATOM 1710 CA SER A 103 126.690 -2.971 4.806 1.00 0.00 C ATOM 1711 C SER A 103 126.492 -1.501 4.427 1.00 0.00 C ATOM 1712 O SER A 103 125.798 -0.773 5.112 1.00 0.00 O ATOM 1713 CB SER A 103 125.928 -3.872 3.834 1.00 0.00 C ATOM 1714 OG SER A 103 126.299 -3.545 2.502 1.00 0.00 O ATOM 0 H SER A 103 125.161 -2.858 6.289 1.00 0.00 H new ATOM 0 HA SER A 103 127.763 -3.161 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 103 126.151 -4.919 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 103 124.854 -3.743 3.967 1.00 0.00 H new ATOM 0 HG SER A 103 125.814 -4.122 1.876 1.00 0.00 H new ATOM 1720 N GLU A 104 127.106 -1.080 3.346 1.00 0.00 N ATOM 1721 CA GLU A 104 126.864 0.291 2.801 1.00 0.00 C ATOM 1722 C GLU A 104 125.995 0.234 1.537 1.00 0.00 C ATOM 1723 O GLU A 104 126.054 1.136 0.722 1.00 0.00 O ATOM 1724 CB GLU A 104 128.259 0.832 2.462 1.00 0.00 C ATOM 1725 CG GLU A 104 128.854 1.541 3.680 1.00 0.00 C ATOM 1726 CD GLU A 104 130.293 1.967 3.377 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.025 1.164 2.822 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.638 3.089 3.707 1.00 0.00 O ATOM 0 H GLU A 104 127.773 -1.637 2.813 1.00 0.00 H new ATOM 0 HA GLU A 104 126.334 0.922 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.910 0.014 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.196 1.524 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.252 2.413 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.835 0.877 4.544 1.00 0.00 H new ATOM 1735 N ILE A 105 125.200 -0.804 1.371 1.00 0.00 N ATOM 1736 CA ILE A 105 124.313 -0.912 0.168 1.00 0.00 C ATOM 1737 C ILE A 105 122.853 -0.999 0.630 1.00 0.00 C ATOM 1738 O ILE A 105 122.513 -1.831 1.453 1.00 0.00 O ATOM 1739 CB ILE A 105 124.742 -2.203 -0.565 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.243 -2.183 -0.920 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.917 -2.387 -1.848 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.609 -0.985 -1.811 1.00 0.00 C ATOM 0 H ILE A 105 125.130 -1.584 2.024 1.00 0.00 H new ATOM 0 HA ILE A 105 124.400 -0.050 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 105 124.560 -3.038 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.832 -2.146 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.507 -3.109 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.230 -3.300 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.859 -2.457 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.075 -1.534 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.675 -1.011 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.041 -1.035 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.371 -0.058 -1.290 1.00 0.00 H new ATOM 1754 N ILE A 106 122.004 -0.145 0.105 1.00 0.00 N ATOM 1755 CA ILE A 106 120.545 -0.183 0.449 1.00 0.00 C ATOM 1756 C ILE A 106 119.705 -0.276 -0.830 1.00 0.00 C ATOM 1757 O ILE A 106 120.070 0.282 -1.848 1.00 0.00 O ATOM 1758 CB ILE A 106 120.244 1.115 1.220 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.614 2.358 0.397 1.00 0.00 C ATOM 1760 CG2 ILE A 106 121.034 1.128 2.531 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.987 3.599 1.034 1.00 0.00 C ATOM 0 H ILE A 106 122.264 0.587 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 106 120.298 -1.054 1.056 1.00 0.00 H new ATOM 0 HB ILE A 106 119.173 1.144 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.698 2.468 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.262 2.246 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.820 2.048 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.745 0.271 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.101 1.075 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.250 4.480 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.903 3.488 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.361 3.714 2.052 1.00 0.00 H new ATOM 1773 N GLU A 107 118.592 -0.974 -0.769 1.00 0.00 N ATOM 1774 CA GLU A 107 117.695 -1.104 -1.958 1.00 0.00 C ATOM 1775 C GLU A 107 116.347 -0.436 -1.675 1.00 0.00 C ATOM 1776 O GLU A 107 115.736 -0.680 -0.649 1.00 0.00 O ATOM 1777 CB GLU A 107 117.512 -2.607 -2.169 1.00 0.00 C ATOM 1778 CG GLU A 107 118.687 -3.157 -2.981 1.00 0.00 C ATOM 1779 CD GLU A 107 118.519 -4.666 -3.167 1.00 0.00 C ATOM 1780 OE1 GLU A 107 117.908 -5.057 -4.147 1.00 0.00 O ATOM 1781 OE2 GLU A 107 119.004 -5.404 -2.325 1.00 0.00 O ATOM 0 H GLU A 107 118.267 -1.463 0.065 1.00 0.00 H new ATOM 0 HA GLU A 107 118.115 -0.622 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.452 -3.115 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.574 -2.800 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.734 -2.664 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.626 -2.945 -2.470 1.00 0.00 H new ATOM 1788 N ILE A 108 115.893 0.394 -2.585 1.00 0.00 N ATOM 1789 CA ILE A 108 114.642 1.186 -2.361 1.00 0.00 C ATOM 1790 C ILE A 108 113.582 0.770 -3.390 1.00 0.00 C ATOM 1791 O ILE A 108 113.909 0.346 -4.482 1.00 0.00 O ATOM 1792 CB ILE A 108 115.059 2.660 -2.543 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.100 3.047 -1.485 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.851 3.595 -2.389 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.781 4.356 -1.887 1.00 0.00 C ATOM 0 H ILE A 108 116.343 0.558 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 108 114.206 1.023 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 108 115.476 2.764 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.620 3.159 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.843 2.255 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.171 4.628 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.102 3.348 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.421 3.473 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.520 4.628 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.275 4.228 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.034 5.146 -1.964 1.00 0.00 H new ATOM 1807 N ILE A 109 112.325 0.894 -3.032 1.00 0.00 N ATOM 1808 CA ILE A 109 111.216 0.768 -4.031 1.00 0.00 C ATOM 1809 C ILE A 109 110.444 2.090 -4.113 1.00 0.00 C ATOM 1810 O ILE A 109 110.457 2.868 -3.175 1.00 0.00 O ATOM 1811 CB ILE A 109 110.308 -0.379 -3.549 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.776 -0.119 -2.130 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.096 -1.690 -3.559 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.470 -0.888 -1.923 1.00 0.00 C ATOM 0 H ILE A 109 112.017 1.080 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 109 111.596 0.551 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 109 109.456 -0.443 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.514 -0.431 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.609 0.948 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.455 -2.503 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.440 -1.900 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.956 -1.603 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.094 -0.703 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.732 -0.555 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.652 -1.955 -2.052 1.00 0.00 H new ATOM 1826 N ALA A 110 109.783 2.336 -5.223 1.00 0.00 N ATOM 1827 CA ALA A 110 109.040 3.618 -5.414 1.00 0.00 C ATOM 1828 C ALA A 110 107.740 3.370 -6.198 1.00 0.00 C ATOM 1829 O ALA A 110 107.593 2.311 -6.780 1.00 0.00 O ATOM 1830 CB ALA A 110 109.987 4.525 -6.202 1.00 0.00 C ATOM 0 H ALA A 110 109.729 1.692 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 110 108.753 4.070 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.506 5.487 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.903 4.677 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.227 4.058 -7.157 1.00 0.00 H new ATOM 1836 N PRO A 111 106.829 4.334 -6.203 1.00 0.00 N ATOM 1837 CA PRO A 111 105.563 4.201 -6.999 1.00 0.00 C ATOM 1838 C PRO A 111 105.854 4.015 -8.497 1.00 0.00 C ATOM 1839 O PRO A 111 105.096 3.367 -9.197 1.00 0.00 O ATOM 1840 CB PRO A 111 104.849 5.531 -6.751 1.00 0.00 C ATOM 1841 CG PRO A 111 105.390 5.981 -5.439 1.00 0.00 C ATOM 1842 CD PRO A 111 106.845 5.626 -5.484 1.00 0.00 C ATOM 0 HA PRO A 111 104.975 3.331 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.060 6.252 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.767 5.404 -6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.248 7.053 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.886 5.482 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.432 6.378 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.272 5.531 -4.486 1.00 0.00 H new ATOM 1850 N MET A 112 106.939 4.583 -8.975 1.00 0.00 N ATOM 1851 CA MET A 112 107.298 4.474 -10.423 1.00 0.00 C ATOM 1852 C MET A 112 108.820 4.378 -10.599 1.00 0.00 C ATOM 1853 O MET A 112 109.566 4.630 -9.668 1.00 0.00 O ATOM 1854 CB MET A 112 106.674 5.701 -11.132 1.00 0.00 C ATOM 1855 CG MET A 112 107.457 7.018 -10.951 1.00 0.00 C ATOM 1856 SD MET A 112 107.331 7.637 -9.254 1.00 0.00 S ATOM 1857 CE MET A 112 105.575 8.072 -9.300 1.00 0.00 C ATOM 0 H MET A 112 107.597 5.124 -8.414 1.00 0.00 H new ATOM 0 HA MET A 112 106.903 3.563 -10.872 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.594 5.486 -12.197 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.660 5.843 -10.758 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.505 6.857 -11.204 1.00 0.00 H new ATOM 0 HG3 MET A 112 107.074 7.768 -11.643 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.306 8.595 -8.382 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.383 8.719 -10.156 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.978 7.165 -9.389 1.00 0.00 H new ATOM 1867 N LYS A 113 109.269 4.017 -11.781 1.00 0.00 N ATOM 1868 CA LYS A 113 110.740 3.851 -12.029 1.00 0.00 C ATOM 1869 C LYS A 113 111.425 5.221 -12.052 1.00 0.00 C ATOM 1870 O LYS A 113 111.302 5.965 -13.009 1.00 0.00 O ATOM 1871 CB LYS A 113 110.872 3.161 -13.390 1.00 0.00 C ATOM 1872 CG LYS A 113 112.312 2.676 -13.579 1.00 0.00 C ATOM 1873 CD LYS A 113 112.376 1.704 -14.759 1.00 0.00 C ATOM 1874 CE LYS A 113 112.213 2.476 -16.070 1.00 0.00 C ATOM 1875 NZ LYS A 113 112.096 1.427 -17.121 1.00 0.00 N ATOM 0 H LYS A 113 108.676 3.829 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 113 111.215 3.262 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 113 110.182 2.319 -13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.602 3.853 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 113 112.972 3.525 -13.758 1.00 0.00 H new ATOM 0 HG3 LYS A 113 112.663 2.185 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 113 113.328 1.173 -14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 113 111.591 0.953 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 113 111.328 3.112 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 113 113.068 3.126 -16.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 111.981 1.878 -18.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 112.955 0.841 -17.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 111.270 0.828 -16.923 1.00 0.00 H new ATOM 1889 N LEU A 114 112.144 5.548 -10.998 1.00 0.00 N ATOM 1890 CA LEU A 114 112.809 6.894 -10.894 1.00 0.00 C ATOM 1891 C LEU A 114 113.793 7.124 -12.046 1.00 0.00 C ATOM 1892 O LEU A 114 113.950 8.241 -12.509 1.00 0.00 O ATOM 1893 CB LEU A 114 113.570 6.895 -9.561 1.00 0.00 C ATOM 1894 CG LEU A 114 112.578 6.806 -8.399 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.336 6.514 -7.103 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.832 8.136 -8.261 1.00 0.00 C ATOM 0 H LEU A 114 112.300 4.934 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 114 112.065 7.689 -10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.262 6.054 -9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.167 7.803 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 114 111.864 6.006 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.630 6.451 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.869 5.568 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.050 7.315 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.125 8.073 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.547 8.936 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.292 8.348 -9.184 1.00 0.00 H new ATOM 1908 N ARG A 115 114.442 6.077 -12.509 1.00 0.00 N ATOM 1909 CA ARG A 115 115.506 6.229 -13.561 1.00 0.00 C ATOM 1910 C ARG A 115 114.916 6.782 -14.860 1.00 0.00 C ATOM 1911 O ARG A 115 115.569 7.539 -15.555 1.00 0.00 O ATOM 1912 CB ARG A 115 116.087 4.833 -13.804 1.00 0.00 C ATOM 1913 CG ARG A 115 116.820 4.354 -12.552 1.00 0.00 C ATOM 1914 CD ARG A 115 117.504 3.013 -12.839 1.00 0.00 C ATOM 1915 NE ARG A 115 118.037 2.534 -11.521 1.00 0.00 N ATOM 1916 CZ ARG A 115 118.255 1.259 -11.262 1.00 0.00 C ATOM 1917 NH1 ARG A 115 118.048 0.302 -12.138 1.00 0.00 N ATOM 1918 NH2 ARG A 115 118.707 0.932 -10.082 1.00 0.00 N ATOM 0 H ARG A 115 114.280 5.118 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 115 116.273 6.929 -13.230 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.289 4.136 -14.059 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.772 4.856 -14.651 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.560 5.093 -12.246 1.00 0.00 H new ATOM 0 HG3 ARG A 115 116.117 4.246 -11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 115 116.798 2.296 -13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 115 118.308 3.132 -13.566 1.00 0.00 H new ATOM 0 HE ARG A 115 118.239 3.222 -10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 115 117.702 0.530 -13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 115 118.233 -0.669 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 115 118.883 1.655 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 115 118.884 -0.047 -9.857 1.00 0.00 H new ATOM 1932 N GLU A 116 113.698 6.406 -15.176 1.00 0.00 N ATOM 1933 CA GLU A 116 113.038 6.921 -16.418 1.00 0.00 C ATOM 1934 C GLU A 116 112.532 8.342 -16.165 1.00 0.00 C ATOM 1935 O GLU A 116 112.773 9.234 -16.958 1.00 0.00 O ATOM 1936 CB GLU A 116 111.877 5.967 -16.718 1.00 0.00 C ATOM 1937 CG GLU A 116 111.276 6.303 -18.086 1.00 0.00 C ATOM 1938 CD GLU A 116 110.038 5.436 -18.329 1.00 0.00 C ATOM 1939 OE1 GLU A 116 109.235 5.314 -17.419 1.00 0.00 O ATOM 1940 OE2 GLU A 116 109.914 4.910 -19.424 1.00 0.00 O ATOM 0 H GLU A 116 113.131 5.762 -14.624 1.00 0.00 H new ATOM 0 HA GLU A 116 113.724 6.961 -17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.229 4.935 -16.708 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.114 6.051 -15.944 1.00 0.00 H new ATOM 0 HG2 GLU A 116 111.007 7.359 -18.127 1.00 0.00 H new ATOM 0 HG3 GLU A 116 112.013 6.131 -18.871 1.00 0.00 H new ATOM 1947 N GLN A 117 111.852 8.552 -15.059 1.00 0.00 N ATOM 1948 CA GLN A 117 111.174 9.870 -14.805 1.00 0.00 C ATOM 1949 C GLN A 117 112.198 11.011 -14.730 1.00 0.00 C ATOM 1950 O GLN A 117 111.916 12.118 -15.156 1.00 0.00 O ATOM 1951 CB GLN A 117 110.441 9.731 -13.466 1.00 0.00 C ATOM 1952 CG GLN A 117 109.333 8.682 -13.591 1.00 0.00 C ATOM 1953 CD GLN A 117 108.191 9.240 -14.444 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.769 10.363 -14.256 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.670 8.495 -15.380 1.00 0.00 N ATOM 0 H GLN A 117 111.736 7.863 -14.316 1.00 0.00 H new ATOM 0 HA GLN A 117 110.486 10.111 -15.615 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.143 9.441 -12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 117 110.015 10.690 -13.172 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.728 7.773 -14.044 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.963 8.410 -12.603 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.025 7.552 -15.538 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.908 8.856 -15.954 1.00 0.00 H new ATOM 1964 N PHE A 118 113.369 10.741 -14.196 1.00 0.00 N ATOM 1965 CA PHE A 118 114.408 11.806 -14.039 1.00 0.00 C ATOM 1966 C PHE A 118 115.581 11.636 -15.020 1.00 0.00 C ATOM 1967 O PHE A 118 116.581 12.318 -14.886 1.00 0.00 O ATOM 1968 CB PHE A 118 114.896 11.660 -12.599 1.00 0.00 C ATOM 1969 CG PHE A 118 113.878 12.093 -11.571 1.00 0.00 C ATOM 1970 CD1 PHE A 118 113.632 13.483 -11.352 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.160 11.112 -10.819 1.00 0.00 C ATOM 1972 CE1 PHE A 118 112.669 13.895 -10.379 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.196 11.524 -9.845 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.951 12.914 -9.625 1.00 0.00 C ATOM 0 H PHE A 118 113.649 9.819 -13.860 1.00 0.00 H new ATOM 0 HA PHE A 118 113.992 12.791 -14.254 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.163 10.619 -12.418 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.804 12.249 -12.470 1.00 0.00 H new ATOM 0 HD1 PHE A 118 114.174 14.223 -11.922 1.00 0.00 H new ATOM 0 HD2 PHE A 118 113.345 10.061 -10.986 1.00 0.00 H new ATOM 0 HE1 PHE A 118 112.484 14.946 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 118 111.653 10.784 -9.276 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.224 13.224 -8.889 1.00 0.00 H new ATOM 1984 N ASN A 119 115.482 10.748 -15.996 1.00 0.00 N ATOM 1985 CA ASN A 119 116.591 10.524 -16.994 1.00 0.00 C ATOM 1986 C ASN A 119 117.947 10.271 -16.303 1.00 0.00 C ATOM 1987 O ASN A 119 118.954 10.860 -16.661 1.00 0.00 O ATOM 1988 CB ASN A 119 116.630 11.792 -17.862 1.00 0.00 C ATOM 1989 CG ASN A 119 115.341 11.894 -18.677 1.00 0.00 C ATOM 1990 OD1 ASN A 119 115.188 11.226 -19.680 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.398 12.707 -18.285 1.00 0.00 N ATOM 0 H ASN A 119 114.662 10.159 -16.144 1.00 0.00 H new ATOM 0 HA ASN A 119 116.405 9.633 -17.594 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.744 12.674 -17.231 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.492 11.763 -18.528 1.00 0.00 H new ATOM 0 HD21 ASN A 119 113.533 12.781 -18.821 1.00 0.00 H new ATOM 0 HD22 ASN A 119 114.526 13.268 -17.443 1.00 0.00 H new ATOM 1998 N LEU A 120 117.965 9.394 -15.325 1.00 0.00 N ATOM 1999 CA LEU A 120 119.191 9.194 -14.488 1.00 0.00 C ATOM 2000 C LEU A 120 120.077 8.092 -15.076 1.00 0.00 C ATOM 2001 O LEU A 120 119.586 7.068 -15.515 1.00 0.00 O ATOM 2002 CB LEU A 120 118.688 8.780 -13.102 1.00 0.00 C ATOM 2003 CG LEU A 120 117.935 9.943 -12.452 1.00 0.00 C ATOM 2004 CD1 LEU A 120 117.087 9.413 -11.295 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.940 10.967 -11.919 1.00 0.00 C ATOM 0 H LEU A 120 117.174 8.803 -15.070 1.00 0.00 H new ATOM 0 HA LEU A 120 119.793 10.102 -14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 120 118.032 7.913 -13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.528 8.483 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 120 117.290 10.418 -13.191 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.549 10.239 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.372 8.682 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.734 8.940 -10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.404 11.796 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.585 10.493 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.548 11.343 -12.742 1.00 0.00 H new ATOM 2017 N LYS A 121 121.372 8.311 -15.081 1.00 0.00 N ATOM 2018 CA LYS A 121 122.337 7.268 -15.548 1.00 0.00 C ATOM 2019 C LYS A 121 123.203 6.802 -14.377 1.00 0.00 C ATOM 2020 O LYS A 121 123.344 7.505 -13.392 1.00 0.00 O ATOM 2021 CB LYS A 121 123.196 7.963 -16.605 1.00 0.00 C ATOM 2022 CG LYS A 121 122.342 8.292 -17.831 1.00 0.00 C ATOM 2023 CD LYS A 121 123.229 8.886 -18.927 1.00 0.00 C ATOM 2024 CE LYS A 121 122.359 9.326 -20.106 1.00 0.00 C ATOM 2025 NZ LYS A 121 123.313 9.898 -21.095 1.00 0.00 N ATOM 0 H LYS A 121 121.805 9.183 -14.776 1.00 0.00 H new ATOM 0 HA LYS A 121 121.835 6.388 -15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.626 8.876 -16.194 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.028 7.320 -16.892 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.849 7.391 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.557 8.998 -17.561 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.787 9.737 -18.536 1.00 0.00 H new ATOM 0 HD3 LYS A 121 123.961 8.149 -19.257 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.811 8.484 -20.528 1.00 0.00 H new ATOM 0 HE3 LYS A 121 121.620 10.065 -19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.791 10.223 -21.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 123.816 10.702 -20.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 124.000 9.170 -21.376 1.00 0.00 H new ATOM 2039 N ASP A 122 123.788 5.626 -14.480 1.00 0.00 N ATOM 2040 CA ASP A 122 124.641 5.069 -13.368 1.00 0.00 C ATOM 2041 C ASP A 122 125.773 6.036 -12.991 1.00 0.00 C ATOM 2042 O ASP A 122 126.401 6.621 -13.856 1.00 0.00 O ATOM 2043 CB ASP A 122 125.235 3.760 -13.900 1.00 0.00 C ATOM 2044 CG ASP A 122 124.115 2.745 -14.138 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.255 2.626 -13.279 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.134 2.103 -15.175 1.00 0.00 O ATOM 0 H ASP A 122 123.711 5.020 -15.297 1.00 0.00 H new ATOM 0 HA ASP A 122 124.043 4.914 -12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.775 3.945 -14.829 1.00 0.00 H new ATOM 0 HB3 ASP A 122 125.956 3.360 -13.187 1.00 0.00 H new ATOM 2051 N GLY A 123 126.026 6.193 -11.711 1.00 0.00 N ATOM 2052 CA GLY A 123 127.079 7.144 -11.239 1.00 0.00 C ATOM 2053 C GLY A 123 126.459 8.461 -10.753 1.00 0.00 C ATOM 2054 O GLY A 123 127.074 9.163 -9.969 1.00 0.00 O ATOM 0 H GLY A 123 125.539 5.695 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.649 6.687 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.780 7.346 -12.049 1.00 0.00 H new ATOM 2058 N ASP A 124 125.265 8.801 -11.200 1.00 0.00 N ATOM 2059 CA ASP A 124 124.610 10.080 -10.756 1.00 0.00 C ATOM 2060 C ASP A 124 124.302 10.019 -9.257 1.00 0.00 C ATOM 2061 O ASP A 124 124.158 8.945 -8.702 1.00 0.00 O ATOM 2062 CB ASP A 124 123.317 10.224 -11.569 1.00 0.00 C ATOM 2063 CG ASP A 124 123.602 10.948 -12.889 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.365 11.900 -12.873 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.048 10.536 -13.893 1.00 0.00 O ATOM 0 H ASP A 124 124.716 8.245 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 124 125.264 10.936 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.893 9.240 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.576 10.779 -10.993 1.00 0.00 H new ATOM 2070 N VAL A 125 124.199 11.160 -8.614 1.00 0.00 N ATOM 2071 CA VAL A 125 124.021 11.196 -7.126 1.00 0.00 C ATOM 2072 C VAL A 125 122.621 11.729 -6.793 1.00 0.00 C ATOM 2073 O VAL A 125 122.181 12.717 -7.353 1.00 0.00 O ATOM 2074 CB VAL A 125 125.123 12.130 -6.588 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.053 12.215 -5.057 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.510 11.599 -6.973 1.00 0.00 C ATOM 0 H VAL A 125 124.231 12.076 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 125 124.105 10.208 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 125 124.965 13.116 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.838 12.878 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.080 12.606 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.191 11.221 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.277 12.270 -6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.650 10.605 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.590 11.545 -8.059 1.00 0.00 H new ATOM 2086 N ILE A 126 121.935 11.072 -5.886 1.00 0.00 N ATOM 2087 CA ILE A 126 120.610 11.568 -5.393 1.00 0.00 C ATOM 2088 C ILE A 126 120.616 11.602 -3.861 1.00 0.00 C ATOM 2089 O ILE A 126 121.429 10.948 -3.233 1.00 0.00 O ATOM 2090 CB ILE A 126 119.547 10.592 -5.929 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.829 9.151 -5.481 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.526 10.647 -7.459 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.590 8.288 -5.728 1.00 0.00 C ATOM 0 H ILE A 126 122.244 10.198 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 126 120.398 12.580 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 126 118.580 10.894 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.681 8.749 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.093 9.133 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.773 9.956 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.285 11.659 -7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.505 10.365 -7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.790 7.265 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.750 8.687 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.346 8.297 -6.790 1.00 0.00 H new ATOM 2105 N LYS A 127 119.715 12.356 -3.269 1.00 0.00 N ATOM 2106 CA LYS A 127 119.705 12.520 -1.783 1.00 0.00 C ATOM 2107 C LYS A 127 118.495 11.806 -1.182 1.00 0.00 C ATOM 2108 O LYS A 127 117.402 11.885 -1.715 1.00 0.00 O ATOM 2109 CB LYS A 127 119.605 14.030 -1.551 1.00 0.00 C ATOM 2110 CG LYS A 127 120.895 14.708 -2.012 1.00 0.00 C ATOM 2111 CD LYS A 127 120.840 16.199 -1.670 1.00 0.00 C ATOM 2112 CE LYS A 127 122.084 16.897 -2.223 1.00 0.00 C ATOM 2113 NZ LYS A 127 122.136 18.208 -1.516 1.00 0.00 N ATOM 0 H LYS A 127 118.982 12.868 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 127 120.592 12.093 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.754 14.436 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.433 14.235 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.755 14.245 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 127 121.024 14.575 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.941 16.647 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.785 16.333 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.983 16.310 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 127 122.014 17.033 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.964 18.746 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 121.270 18.747 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 122.210 18.047 -0.491 1.00 0.00 H new ATOM 2127 N ILE A 128 118.687 11.115 -0.080 1.00 0.00 N ATOM 2128 CA ILE A 128 117.549 10.446 0.626 1.00 0.00 C ATOM 2129 C ILE A 128 117.312 11.112 1.986 1.00 0.00 C ATOM 2130 O ILE A 128 118.250 11.421 2.701 1.00 0.00 O ATOM 2131 CB ILE A 128 117.931 8.963 0.780 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.262 8.794 1.528 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.051 8.327 -0.609 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.448 7.329 1.928 1.00 0.00 C ATOM 0 H ILE A 128 119.596 10.986 0.364 1.00 0.00 H new ATOM 0 HA ILE A 128 116.619 10.535 0.064 1.00 0.00 H new ATOM 0 HB ILE A 128 117.151 8.472 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.089 9.116 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.274 9.427 2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.322 7.276 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.097 8.407 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.820 8.845 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.393 7.214 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.628 7.022 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.455 6.706 1.034 1.00 0.00 H new ATOM 2146 N LEU A 129 116.063 11.334 2.329 1.00 0.00 N ATOM 2147 CA LEU A 129 115.717 12.006 3.619 1.00 0.00 C ATOM 2148 C LEU A 129 115.067 11.000 4.572 1.00 0.00 C ATOM 2149 O LEU A 129 114.104 10.343 4.217 1.00 0.00 O ATOM 2150 CB LEU A 129 114.725 13.107 3.234 1.00 0.00 C ATOM 2151 CG LEU A 129 114.479 14.032 4.433 1.00 0.00 C ATOM 2152 CD1 LEU A 129 114.054 15.416 3.935 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.370 13.449 5.315 1.00 0.00 C ATOM 0 H LEU A 129 115.259 11.073 1.759 1.00 0.00 H new ATOM 0 HA LEU A 129 116.591 12.409 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 129 115.115 13.682 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.785 12.663 2.907 1.00 0.00 H new ATOM 0 HG LEU A 129 115.398 14.119 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.880 16.072 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.842 15.836 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 129 113.137 15.327 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.197 14.108 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.452 13.359 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.670 12.464 5.674 1.00 0.00 H new