USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=19 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= -0.0504 K(o=-0.01,f=-1) USER MOD Set 1.2: A 59 TYR OH : rot -45:sc= 0.118 USER MOD Set 1.3: A 76 LYS NZ :NH3+ -158:sc= -0.0783 (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= -0.894 K(o=-0.89,f=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0646) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -141:sc= 0 (180deg=-0.0652) USER MOD Single : A 62 THR OG1 : rot -82:sc= -1.13 USER MOD Single : A 68 ASN : amide:sc= -2.73 K(o=-2.7,f=-7.2!) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0561) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= 1.05 (180deg=-0.016) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -120:sc=-0.00167 (180deg=-0.195) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= -0.156 (180deg=-0.25) USER MOD Single : A 98 LYS NZ :NH3+ -146:sc= 0.405 (180deg=0.0684) 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 HE2:sc= -0.198 K(o=-0.2,f=-2) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -169:sc= -0.384 (180deg=-0.611) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.42) USER MOD Single : A 119 ASN : amide:sc= -0.0416 X(o=-0.042,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 6 120.013 13.515 6.701 1.00 0.00 N ATOM 95 CA ILE A 6 120.115 13.455 5.208 1.00 0.00 C ATOM 96 C ILE A 6 121.383 12.682 4.823 1.00 0.00 C ATOM 97 O ILE A 6 122.454 12.957 5.334 1.00 0.00 O ATOM 98 CB ILE A 6 120.188 14.920 4.728 1.00 0.00 C ATOM 99 CG1 ILE A 6 118.975 15.742 5.216 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.255 14.980 3.194 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.642 15.148 4.732 1.00 0.00 C ATOM 0 HA ILE A 6 119.268 12.944 4.751 1.00 0.00 H new ATOM 0 HB ILE A 6 121.093 15.353 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 6 118.979 15.782 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.065 16.768 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.306 16.020 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.142 14.449 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.365 14.513 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.817 15.759 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.625 15.132 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.538 14.131 5.111 1.00 0.00 H new ATOM 113 N ILE A 7 121.256 11.727 3.930 1.00 0.00 N ATOM 114 CA ILE A 7 122.445 10.956 3.444 1.00 0.00 C ATOM 115 C ILE A 7 122.438 10.952 1.909 1.00 0.00 C ATOM 116 O ILE A 7 121.385 10.973 1.298 1.00 0.00 O ATOM 117 CB ILE A 7 122.298 9.531 4.014 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.249 9.571 5.548 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.494 8.666 3.598 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.758 8.224 6.085 1.00 0.00 C ATOM 0 H ILE A 7 120.368 11.447 3.513 1.00 0.00 H new ATOM 0 HA ILE A 7 123.390 11.392 3.768 1.00 0.00 H new ATOM 0 HB ILE A 7 121.374 9.108 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.239 9.793 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.585 10.369 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.377 7.663 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.542 8.611 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.414 9.109 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.725 8.257 7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.760 8.020 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.439 7.435 5.766 1.00 0.00 H new ATOM 132 N GLU A 8 123.603 10.926 1.301 1.00 0.00 N ATOM 133 CA GLU A 8 123.696 10.908 -0.192 1.00 0.00 C ATOM 134 C GLU A 8 124.095 9.512 -0.681 1.00 0.00 C ATOM 135 O GLU A 8 124.925 8.859 -0.076 1.00 0.00 O ATOM 136 CB GLU A 8 124.785 11.927 -0.536 1.00 0.00 C ATOM 137 CG GLU A 8 124.302 13.335 -0.185 1.00 0.00 C ATOM 138 CD GLU A 8 125.340 14.361 -0.643 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.381 14.443 -0.010 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.078 15.047 -1.616 1.00 0.00 O ATOM 0 H GLU A 8 124.502 10.916 1.783 1.00 0.00 H new ATOM 0 HA GLU A 8 122.745 11.152 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.698 11.698 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.029 11.869 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.344 13.532 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.143 13.419 0.890 1.00 0.00 H new ATOM 147 N GLY A 9 123.504 9.066 -1.768 1.00 0.00 N ATOM 148 CA GLY A 9 123.839 7.725 -2.339 1.00 0.00 C ATOM 149 C GLY A 9 124.030 7.847 -3.853 1.00 0.00 C ATOM 150 O GLY A 9 123.427 8.696 -4.485 1.00 0.00 O ATOM 0 H GLY A 9 122.795 9.584 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.747 7.338 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.042 7.015 -2.118 1.00 0.00 H new ATOM 154 N GLU A 10 124.863 7.003 -4.424 1.00 0.00 N ATOM 155 CA GLU A 10 125.126 7.053 -5.895 1.00 0.00 C ATOM 156 C GLU A 10 124.416 5.893 -6.599 1.00 0.00 C ATOM 157 O GLU A 10 124.349 4.797 -6.072 1.00 0.00 O ATOM 158 CB GLU A 10 126.643 6.918 -6.041 1.00 0.00 C ATOM 159 CG GLU A 10 127.046 7.210 -7.488 1.00 0.00 C ATOM 160 CD GLU A 10 128.537 6.921 -7.676 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.986 5.889 -7.203 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.205 7.737 -8.289 1.00 0.00 O ATOM 0 H GLU A 10 125.375 6.276 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 10 124.757 7.975 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.147 7.610 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.958 5.913 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.458 6.596 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.834 8.251 -7.732 1.00 0.00 H new ATOM 169 N VAL A 11 123.892 6.140 -7.781 1.00 0.00 N ATOM 170 CA VAL A 11 123.176 5.071 -8.562 1.00 0.00 C ATOM 171 C VAL A 11 124.170 3.964 -8.943 1.00 0.00 C ATOM 172 O VAL A 11 125.173 4.233 -9.579 1.00 0.00 O ATOM 173 CB VAL A 11 122.615 5.754 -9.830 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.835 4.746 -10.688 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.665 6.903 -9.458 1.00 0.00 C ATOM 0 H VAL A 11 123.930 7.048 -8.244 1.00 0.00 H new ATOM 0 HA VAL A 11 122.374 4.616 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 11 123.464 6.144 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.448 5.246 -11.576 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.498 3.934 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 11 121.005 4.341 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.283 7.368 -10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.832 6.512 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.205 7.645 -8.870 1.00 0.00 H new ATOM 185 N VAL A 12 123.888 2.741 -8.559 1.00 0.00 N ATOM 186 CA VAL A 12 124.765 1.585 -8.936 1.00 0.00 C ATOM 187 C VAL A 12 123.938 0.506 -9.646 1.00 0.00 C ATOM 188 O VAL A 12 122.722 0.513 -9.572 1.00 0.00 O ATOM 189 CB VAL A 12 125.373 1.048 -7.628 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.264 2.122 -6.998 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.283 0.650 -6.622 1.00 0.00 C ATOM 0 H VAL A 12 123.077 2.491 -7.993 1.00 0.00 H new ATOM 0 HA VAL A 12 125.553 1.889 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 12 125.959 0.161 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.694 1.741 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.065 2.382 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.668 3.009 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.749 0.275 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.671 1.520 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.655 -0.129 -7.055 1.00 0.00 H new ATOM 201 N SER A 13 124.597 -0.410 -10.322 1.00 0.00 N ATOM 202 CA SER A 13 123.872 -1.486 -11.071 1.00 0.00 C ATOM 203 C SER A 13 123.534 -2.648 -10.133 1.00 0.00 C ATOM 204 O SER A 13 124.416 -3.226 -9.523 1.00 0.00 O ATOM 205 CB SER A 13 124.832 -1.949 -12.170 1.00 0.00 C ATOM 206 OG SER A 13 124.183 -2.917 -12.983 1.00 0.00 O ATOM 0 H SER A 13 125.614 -0.457 -10.386 1.00 0.00 H new ATOM 0 HA SER A 13 122.932 -1.124 -11.488 1.00 0.00 H new ATOM 0 HB2 SER A 13 125.146 -1.099 -12.776 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.733 -2.374 -11.727 1.00 0.00 H new ATOM 0 HG SER A 13 124.794 -3.214 -13.689 1.00 0.00 H new ATOM 486 N PHE A 31 103.183 -4.800 0.817 1.00 0.00 N ATOM 487 CA PHE A 31 103.796 -3.453 0.556 1.00 0.00 C ATOM 488 C PHE A 31 102.732 -2.353 0.672 1.00 0.00 C ATOM 489 O PHE A 31 102.981 -1.317 1.260 1.00 0.00 O ATOM 490 CB PHE A 31 104.370 -3.505 -0.868 1.00 0.00 C ATOM 491 CG PHE A 31 105.787 -4.029 -0.940 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.790 -3.525 -0.053 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.126 -5.031 -1.902 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.128 -4.023 -0.128 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.463 -5.529 -1.976 1.00 0.00 C ATOM 496 CZ PHE A 31 108.464 -5.026 -1.089 1.00 0.00 C ATOM 0 HA PHE A 31 104.576 -3.224 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.729 -4.135 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.341 -2.504 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.536 -2.768 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.371 -5.412 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.885 -3.641 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.717 -6.286 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.474 -5.404 -1.145 1.00 0.00 H new ATOM 506 N LYS A 32 101.563 -2.580 0.117 1.00 0.00 N ATOM 507 CA LYS A 32 100.454 -1.572 0.210 1.00 0.00 C ATOM 508 C LYS A 32 99.988 -1.406 1.660 1.00 0.00 C ATOM 509 O LYS A 32 99.560 -0.333 2.048 1.00 0.00 O ATOM 510 CB LYS A 32 99.308 -2.106 -0.658 1.00 0.00 C ATOM 511 CG LYS A 32 98.252 -1.015 -0.844 1.00 0.00 C ATOM 512 CD LYS A 32 97.092 -1.563 -1.676 1.00 0.00 C ATOM 513 CE LYS A 32 96.113 -0.432 -1.997 1.00 0.00 C ATOM 514 NZ LYS A 32 95.296 -0.268 -0.763 1.00 0.00 N ATOM 0 H LYS A 32 101.327 -3.427 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 32 100.790 -0.593 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.691 -2.424 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.861 -2.982 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.889 -0.676 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.692 -0.149 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.469 -2.004 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.581 -2.356 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 32 96.641 0.488 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 95.488 -0.682 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.294 -0.436 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.611 -0.951 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 95.412 0.698 -0.396 1.00 0.00 H new ATOM 528 N LYS A 33 100.065 -2.455 2.447 1.00 0.00 N ATOM 529 CA LYS A 33 99.680 -2.358 3.894 1.00 0.00 C ATOM 530 C LYS A 33 100.685 -1.492 4.662 1.00 0.00 C ATOM 531 O LYS A 33 100.295 -0.704 5.506 1.00 0.00 O ATOM 532 CB LYS A 33 99.679 -3.791 4.440 1.00 0.00 C ATOM 533 CG LYS A 33 99.049 -3.811 5.833 1.00 0.00 C ATOM 534 CD LYS A 33 98.977 -5.252 6.343 1.00 0.00 C ATOM 535 CE LYS A 33 100.381 -5.733 6.716 1.00 0.00 C ATOM 536 NZ LYS A 33 100.200 -7.146 7.152 1.00 0.00 N ATOM 0 H LYS A 33 100.379 -3.378 2.148 1.00 0.00 H new ATOM 0 HA LYS A 33 98.701 -1.892 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.123 -4.446 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.699 -4.174 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.638 -3.201 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 33 98.050 -3.377 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.319 -5.309 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 33 98.551 -5.899 5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 33 101.060 -5.666 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 100.808 -5.125 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 101.121 -7.546 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 99.554 -7.178 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 99.799 -7.702 6.370 1.00 0.00 H new ATOM 550 N ILE A 34 101.958 -1.635 4.371 1.00 0.00 N ATOM 551 CA ILE A 34 103.013 -0.892 5.139 1.00 0.00 C ATOM 552 C ILE A 34 103.130 0.540 4.598 1.00 0.00 C ATOM 553 O ILE A 34 103.343 1.469 5.357 1.00 0.00 O ATOM 554 CB ILE A 34 104.333 -1.668 4.948 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.185 -3.121 5.420 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.455 -1.015 5.766 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.348 -3.952 4.874 1.00 0.00 C ATOM 0 H ILE A 34 102.314 -2.238 3.630 1.00 0.00 H new ATOM 0 HA ILE A 34 102.767 -0.822 6.199 1.00 0.00 H new ATOM 0 HB ILE A 34 104.576 -1.648 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.174 -3.162 6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.236 -3.532 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.381 -1.572 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.595 0.014 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.187 -1.023 6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.246 -4.985 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.338 -3.920 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.290 -3.544 5.240 1.00 0.00 H new ATOM 569 N LEU A 35 102.991 0.711 3.304 1.00 0.00 N ATOM 570 CA LEU A 35 103.220 2.049 2.669 1.00 0.00 C ATOM 571 C LEU A 35 101.898 2.735 2.305 1.00 0.00 C ATOM 572 O LEU A 35 101.839 3.951 2.241 1.00 0.00 O ATOM 573 CB LEU A 35 104.007 1.753 1.392 1.00 0.00 C ATOM 574 CG LEU A 35 105.389 1.195 1.735 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.983 0.530 0.492 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.302 2.335 2.190 1.00 0.00 C ATOM 0 H LEU A 35 102.726 -0.028 2.653 1.00 0.00 H new ATOM 0 HA LEU A 35 103.745 2.719 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.461 1.037 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.112 2.664 0.802 1.00 0.00 H new ATOM 0 HG LEU A 35 105.301 0.462 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.969 0.130 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.331 -0.281 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.073 1.266 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.287 1.937 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.396 3.068 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.875 2.813 3.071 1.00 0.00 H new ATOM 588 N GLY A 36 100.854 1.973 2.073 1.00 0.00 N ATOM 589 CA GLY A 36 99.579 2.547 1.548 1.00 0.00 C ATOM 590 C GLY A 36 99.619 2.698 0.017 1.00 0.00 C ATOM 591 O GLY A 36 98.787 3.397 -0.536 1.00 0.00 O ATOM 0 H GLY A 36 100.834 0.965 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.745 1.904 1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.400 3.520 2.006 1.00 0.00 H new ATOM 595 N PHE A 37 100.559 2.070 -0.666 1.00 0.00 N ATOM 596 CA PHE A 37 100.509 2.012 -2.161 1.00 0.00 C ATOM 597 C PHE A 37 101.205 0.747 -2.678 1.00 0.00 C ATOM 598 O PHE A 37 101.989 0.139 -1.970 1.00 0.00 O ATOM 599 CB PHE A 37 101.215 3.284 -2.653 1.00 0.00 C ATOM 600 CG PHE A 37 102.689 3.380 -2.318 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.639 2.574 -3.021 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.136 4.292 -1.312 1.00 0.00 C ATOM 603 CE1 PHE A 37 105.031 2.677 -2.719 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.530 4.395 -1.007 1.00 0.00 C ATOM 605 CZ PHE A 37 105.476 3.588 -1.711 1.00 0.00 C ATOM 0 H PHE A 37 101.358 1.596 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 37 99.484 1.966 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.101 3.347 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.706 4.149 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.303 1.886 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.421 4.904 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.746 2.068 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.867 5.082 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.528 3.666 -1.481 1.00 0.00 H new ATOM 615 N GLU A 38 100.921 0.364 -3.902 1.00 0.00 N ATOM 616 CA GLU A 38 101.582 -0.832 -4.512 1.00 0.00 C ATOM 617 C GLU A 38 102.815 -0.391 -5.321 1.00 0.00 C ATOM 618 O GLU A 38 102.642 0.198 -6.372 1.00 0.00 O ATOM 619 CB GLU A 38 100.530 -1.446 -5.438 1.00 0.00 C ATOM 620 CG GLU A 38 99.546 -2.280 -4.614 1.00 0.00 C ATOM 621 CD GLU A 38 98.722 -3.168 -5.546 1.00 0.00 C ATOM 622 OE1 GLU A 38 97.880 -2.635 -6.249 1.00 0.00 O ATOM 623 OE2 GLU A 38 98.947 -4.368 -5.542 1.00 0.00 O ATOM 0 H GLU A 38 100.251 0.836 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 38 101.923 -1.544 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 38 99.997 -0.659 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 38 101.012 -2.071 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 38 100.088 -2.894 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 38 98.888 -1.625 -4.043 1.00 0.00 H new ATOM 630 N PRO A 39 104.016 -0.675 -4.835 1.00 0.00 N ATOM 631 CA PRO A 39 105.250 -0.208 -5.539 1.00 0.00 C ATOM 632 C PRO A 39 105.400 -0.922 -6.888 1.00 0.00 C ATOM 633 O PRO A 39 104.848 -1.990 -7.086 1.00 0.00 O ATOM 634 CB PRO A 39 106.374 -0.602 -4.581 1.00 0.00 C ATOM 635 CG PRO A 39 105.816 -1.778 -3.858 1.00 0.00 C ATOM 636 CD PRO A 39 104.376 -1.439 -3.620 1.00 0.00 C ATOM 0 HA PRO A 39 105.242 0.859 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.288 -0.857 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.622 0.210 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.915 -2.688 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.342 -1.950 -2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.763 -2.333 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.244 -0.846 -2.715 1.00 0.00 H new ATOM 644 N TYR A 40 106.142 -0.334 -7.800 1.00 0.00 N ATOM 645 CA TYR A 40 106.330 -0.947 -9.157 1.00 0.00 C ATOM 646 C TYR A 40 107.266 -2.153 -9.058 1.00 0.00 C ATOM 647 O TYR A 40 107.965 -2.314 -8.072 1.00 0.00 O ATOM 648 CB TYR A 40 106.964 0.136 -10.034 1.00 0.00 C ATOM 649 CG TYR A 40 107.107 -0.269 -11.482 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.298 -0.924 -11.927 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.052 0.002 -12.408 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.434 -1.307 -13.296 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.189 -0.382 -13.778 1.00 0.00 C ATOM 654 CZ TYR A 40 107.380 -1.036 -14.222 1.00 0.00 C ATOM 655 OH TYR A 40 107.511 -1.406 -15.546 1.00 0.00 O ATOM 0 H TYR A 40 106.629 0.551 -7.661 1.00 0.00 H new ATOM 0 HA TYR A 40 105.383 -1.291 -9.573 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.358 1.040 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.948 0.385 -9.636 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.095 -1.129 -11.227 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.152 0.496 -12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.334 -1.802 -13.631 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.392 -0.178 -14.478 1.00 0.00 H new ATOM 0 HH TYR A 40 106.704 -1.149 -16.039 1.00 0.00 H new ATOM 665 N GLU A 41 107.283 -2.989 -10.074 1.00 0.00 N ATOM 666 CA GLU A 41 108.185 -4.187 -10.058 1.00 0.00 C ATOM 667 C GLU A 41 109.609 -3.765 -10.446 1.00 0.00 C ATOM 668 O GLU A 41 110.041 -3.940 -11.574 1.00 0.00 O ATOM 669 CB GLU A 41 107.597 -5.162 -11.087 1.00 0.00 C ATOM 670 CG GLU A 41 106.232 -5.660 -10.603 1.00 0.00 C ATOM 671 CD GLU A 41 105.671 -6.681 -11.596 1.00 0.00 C ATOM 672 OE1 GLU A 41 105.770 -6.440 -12.789 1.00 0.00 O ATOM 673 OE2 GLU A 41 105.151 -7.689 -11.147 1.00 0.00 O ATOM 0 H GLU A 41 106.711 -2.892 -10.913 1.00 0.00 H new ATOM 0 HA GLU A 41 108.245 -4.649 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.493 -4.668 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.273 -6.005 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.329 -6.114 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.543 -4.821 -10.502 1.00 0.00 H new ATOM 680 N GLY A 42 110.331 -3.203 -9.501 1.00 0.00 N ATOM 681 CA GLY A 42 111.766 -2.846 -9.724 1.00 0.00 C ATOM 682 C GLY A 42 112.342 -2.241 -8.441 1.00 0.00 C ATOM 683 O GLY A 42 111.612 -1.987 -7.498 1.00 0.00 O ATOM 0 H GLY A 42 109.978 -2.975 -8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.333 -3.732 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.852 -2.135 -10.546 1.00 0.00 H new ATOM 687 N THR A 43 113.636 -2.015 -8.409 1.00 0.00 N ATOM 688 CA THR A 43 114.280 -1.385 -7.214 1.00 0.00 C ATOM 689 C THR A 43 115.318 -0.346 -7.644 1.00 0.00 C ATOM 690 O THR A 43 115.832 -0.394 -8.747 1.00 0.00 O ATOM 691 CB THR A 43 114.961 -2.521 -6.438 1.00 0.00 C ATOM 692 OG1 THR A 43 115.536 -3.462 -7.335 1.00 0.00 O ATOM 693 CG2 THR A 43 113.936 -3.218 -5.542 1.00 0.00 C ATOM 0 H THR A 43 114.278 -2.243 -9.168 1.00 0.00 H new ATOM 0 HA THR A 43 113.541 -0.870 -6.601 1.00 0.00 H new ATOM 0 HB THR A 43 115.755 -2.098 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 43 115.968 -4.179 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.422 -4.024 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.519 -2.498 -4.838 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.135 -3.629 -6.157 1.00 0.00 H new ATOM 701 N LEU A 44 115.616 0.585 -6.768 1.00 0.00 N ATOM 702 CA LEU A 44 116.755 1.524 -6.984 1.00 0.00 C ATOM 703 C LEU A 44 117.870 1.176 -5.995 1.00 0.00 C ATOM 704 O LEU A 44 117.681 1.286 -4.797 1.00 0.00 O ATOM 705 CB LEU A 44 116.178 2.915 -6.696 1.00 0.00 C ATOM 706 CG LEU A 44 117.227 3.993 -6.986 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.441 4.111 -8.495 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.741 5.335 -6.434 1.00 0.00 C ATOM 0 H LEU A 44 115.106 0.733 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 44 117.177 1.472 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.293 3.084 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.861 2.977 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 44 118.168 3.720 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.188 4.879 -8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.787 3.155 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.501 4.383 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.486 6.104 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.799 5.605 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.591 5.253 -5.357 1.00 0.00 H new ATOM 720 N ASN A 45 119.010 0.758 -6.492 1.00 0.00 N ATOM 721 CA ASN A 45 120.130 0.338 -5.598 1.00 0.00 C ATOM 722 C ASN A 45 121.132 1.484 -5.444 1.00 0.00 C ATOM 723 O ASN A 45 121.699 1.944 -6.421 1.00 0.00 O ATOM 724 CB ASN A 45 120.781 -0.852 -6.302 1.00 0.00 C ATOM 725 CG ASN A 45 119.918 -2.101 -6.106 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.759 -2.116 -6.469 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.440 -3.156 -5.543 1.00 0.00 N ATOM 0 H ASN A 45 119.212 0.690 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 45 119.785 0.076 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.895 -0.640 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.780 -1.022 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.875 -3.994 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.413 -3.143 -5.238 1.00 0.00 H new ATOM 734 N LEU A 46 121.346 1.935 -4.229 1.00 0.00 N ATOM 735 CA LEU A 46 122.280 3.078 -3.983 1.00 0.00 C ATOM 736 C LEU A 46 123.425 2.651 -3.061 1.00 0.00 C ATOM 737 O LEU A 46 123.207 1.974 -2.071 1.00 0.00 O ATOM 738 CB LEU A 46 121.429 4.161 -3.315 1.00 0.00 C ATOM 739 CG LEU A 46 120.523 4.820 -4.357 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.480 5.687 -3.650 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.364 5.698 -5.288 1.00 0.00 C ATOM 0 H LEU A 46 120.908 1.555 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 46 122.737 3.432 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.826 3.724 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.073 4.910 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 46 120.022 4.047 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.834 6.157 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.879 5.065 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 46 119.983 6.458 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.717 6.166 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.866 6.470 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.109 5.083 -5.793 1.00 0.00 H new ATOM 753 N LYS A 47 124.632 3.046 -3.396 1.00 0.00 N ATOM 754 CA LYS A 47 125.803 2.813 -2.497 1.00 0.00 C ATOM 755 C LYS A 47 126.051 4.069 -1.658 1.00 0.00 C ATOM 756 O LYS A 47 126.070 5.166 -2.186 1.00 0.00 O ATOM 757 CB LYS A 47 126.983 2.544 -3.436 1.00 0.00 C ATOM 758 CG LYS A 47 128.210 2.121 -2.624 1.00 0.00 C ATOM 759 CD LYS A 47 129.420 2.004 -3.552 1.00 0.00 C ATOM 760 CE LYS A 47 130.616 1.462 -2.768 1.00 0.00 C ATOM 761 NZ LYS A 47 131.814 1.960 -3.500 1.00 0.00 N ATOM 0 H LYS A 47 124.855 3.527 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 47 125.649 1.984 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.721 1.762 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.210 3.440 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.409 2.851 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.022 1.167 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.189 1.342 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.662 2.979 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.607 1.818 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.602 0.373 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.676 1.629 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.799 1.600 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.804 3.000 -3.515 1.00 0.00 H new ATOM 775 N LEU A 48 126.236 3.905 -0.369 1.00 0.00 N ATOM 776 CA LEU A 48 126.406 5.075 0.546 1.00 0.00 C ATOM 777 C LEU A 48 127.834 5.122 1.093 1.00 0.00 C ATOM 778 O LEU A 48 128.539 4.129 1.076 1.00 0.00 O ATOM 779 CB LEU A 48 125.419 4.850 1.693 1.00 0.00 C ATOM 780 CG LEU A 48 123.980 4.911 1.173 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.027 4.416 2.262 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.628 6.356 0.810 1.00 0.00 C ATOM 0 H LEU A 48 126.277 2.996 0.092 1.00 0.00 H new ATOM 0 HA LEU A 48 126.223 6.016 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.605 3.881 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.567 5.607 2.464 1.00 0.00 H new ATOM 0 HG LEU A 48 123.886 4.281 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.002 4.458 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.277 3.388 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.123 5.049 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.604 6.399 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.721 6.986 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.308 6.713 0.037 1.00 0.00 H new ATOM 794 N ASP A 49 128.249 6.273 1.571 1.00 0.00 N ATOM 795 CA ASP A 49 129.568 6.386 2.274 1.00 0.00 C ATOM 796 C ASP A 49 129.439 6.121 3.785 1.00 0.00 C ATOM 797 O ASP A 49 130.361 6.406 4.529 1.00 0.00 O ATOM 798 CB ASP A 49 130.069 7.815 1.999 1.00 0.00 C ATOM 799 CG ASP A 49 129.103 8.872 2.555 1.00 0.00 C ATOM 800 OD1 ASP A 49 127.943 8.843 2.179 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.544 9.692 3.344 1.00 0.00 O ATOM 0 H ASP A 49 127.725 7.146 1.503 1.00 0.00 H new ATOM 0 HA ASP A 49 130.270 5.637 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.053 7.949 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.187 7.959 0.925 1.00 0.00 H new ATOM 806 N ARG A 50 128.322 5.586 4.240 1.00 0.00 N ATOM 807 CA ARG A 50 128.116 5.335 5.698 1.00 0.00 C ATOM 808 C ARG A 50 127.281 4.064 5.887 1.00 0.00 C ATOM 809 O ARG A 50 126.365 3.811 5.126 1.00 0.00 O ATOM 810 CB ARG A 50 127.350 6.554 6.217 1.00 0.00 C ATOM 811 CG ARG A 50 128.241 7.798 6.154 1.00 0.00 C ATOM 812 CD ARG A 50 127.523 8.971 6.827 1.00 0.00 C ATOM 813 NE ARG A 50 127.482 8.618 8.280 1.00 0.00 N ATOM 814 CZ ARG A 50 128.513 8.786 9.086 1.00 0.00 C ATOM 815 NH1 ARG A 50 129.664 9.272 8.681 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.384 8.453 10.341 1.00 0.00 N ATOM 0 H ARG A 50 127.538 5.311 3.648 1.00 0.00 H new ATOM 0 HA ARG A 50 129.057 5.195 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.451 6.710 5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.026 6.380 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.191 7.604 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.469 8.043 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 128.057 9.907 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 50 126.519 9.102 6.424 1.00 0.00 H new ATOM 0 HE ARG A 50 126.620 8.231 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 50 129.790 9.538 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 50 130.432 9.383 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 50 127.500 8.072 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 50 129.167 8.573 10.984 1.00 0.00 H new ATOM 830 N GLU A 51 127.597 3.277 6.893 1.00 0.00 N ATOM 831 CA GLU A 51 126.815 2.023 7.173 1.00 0.00 C ATOM 832 C GLU A 51 125.372 2.368 7.557 1.00 0.00 C ATOM 833 O GLU A 51 125.119 3.408 8.139 1.00 0.00 O ATOM 834 CB GLU A 51 127.517 1.329 8.345 1.00 0.00 C ATOM 835 CG GLU A 51 128.916 0.882 7.914 1.00 0.00 C ATOM 836 CD GLU A 51 129.588 0.116 9.056 1.00 0.00 C ATOM 837 OE1 GLU A 51 128.927 -0.713 9.661 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.754 0.372 9.307 1.00 0.00 O ATOM 0 H GLU A 51 128.369 3.451 7.537 1.00 0.00 H new ATOM 0 HA GLU A 51 126.776 1.380 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.587 2.009 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 51 126.934 0.468 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.849 0.249 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.517 1.749 7.642 1.00 0.00 H new ATOM 845 N PHE A 52 124.439 1.501 7.232 1.00 0.00 N ATOM 846 CA PHE A 52 123.002 1.751 7.566 1.00 0.00 C ATOM 847 C PHE A 52 122.380 0.513 8.221 1.00 0.00 C ATOM 848 O PHE A 52 122.607 -0.601 7.785 1.00 0.00 O ATOM 849 CB PHE A 52 122.322 2.041 6.227 1.00 0.00 C ATOM 850 CG PHE A 52 120.872 2.443 6.363 1.00 0.00 C ATOM 851 CD1 PHE A 52 119.889 1.465 6.708 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.483 3.801 6.148 1.00 0.00 C ATOM 853 CE1 PHE A 52 118.517 1.845 6.842 1.00 0.00 C ATOM 854 CE2 PHE A 52 119.111 4.181 6.280 1.00 0.00 C ATOM 855 CZ PHE A 52 118.129 3.203 6.628 1.00 0.00 C ATOM 0 H PHE A 52 124.616 0.623 6.745 1.00 0.00 H new ATOM 0 HA PHE A 52 122.887 2.575 8.270 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.865 2.837 5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.388 1.155 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 52 120.183 0.438 6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 52 121.225 4.540 5.886 1.00 0.00 H new ATOM 0 HE1 PHE A 52 117.775 1.106 7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 52 118.817 5.207 6.117 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.093 3.491 6.729 1.00 0.00 H new ATOM 865 N ASP A 53 121.605 0.718 9.261 1.00 0.00 N ATOM 866 CA ASP A 53 120.856 -0.402 9.908 1.00 0.00 C ATOM 867 C ASP A 53 119.437 0.058 10.254 1.00 0.00 C ATOM 868 O ASP A 53 119.262 1.040 10.954 1.00 0.00 O ATOM 869 CB ASP A 53 121.646 -0.725 11.179 1.00 0.00 C ATOM 870 CG ASP A 53 121.134 -2.034 11.782 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.927 -2.195 11.868 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.958 -2.855 12.149 1.00 0.00 O ATOM 0 H ASP A 53 121.459 1.630 9.694 1.00 0.00 H new ATOM 0 HA ASP A 53 120.762 -1.274 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.708 -0.810 10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.541 0.085 11.901 1.00 0.00 H new ATOM 877 N ILE A 54 118.439 -0.647 9.770 1.00 0.00 N ATOM 878 CA ILE A 54 117.014 -0.239 10.016 1.00 0.00 C ATOM 879 C ILE A 54 116.664 -0.310 11.516 1.00 0.00 C ATOM 880 O ILE A 54 115.740 0.355 11.954 1.00 0.00 O ATOM 881 CB ILE A 54 116.142 -1.183 9.163 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.668 -0.777 9.275 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.311 -2.641 9.610 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.870 -1.362 8.109 1.00 0.00 C ATOM 0 H ILE A 54 118.550 -1.493 9.211 1.00 0.00 H new ATOM 0 HA ILE A 54 116.840 0.798 9.730 1.00 0.00 H new ATOM 0 HB ILE A 54 116.466 -1.100 8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.257 -1.130 10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.581 0.310 9.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.685 -3.286 8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.355 -2.936 9.502 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.013 -2.738 10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.825 -1.067 8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.273 -0.987 7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.943 -2.449 8.127 1.00 0.00 H new ATOM 896 N ASN A 55 117.383 -1.098 12.287 1.00 0.00 N ATOM 897 CA ASN A 55 117.094 -1.208 13.758 1.00 0.00 C ATOM 898 C ASN A 55 117.521 0.054 14.527 1.00 0.00 C ATOM 899 O ASN A 55 117.281 0.141 15.718 1.00 0.00 O ATOM 900 CB ASN A 55 117.883 -2.420 14.264 1.00 0.00 C ATOM 901 CG ASN A 55 117.360 -3.699 13.606 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.178 -3.831 13.351 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.199 -4.657 13.318 1.00 0.00 N ATOM 0 H ASN A 55 118.160 -1.672 11.959 1.00 0.00 H new ATOM 0 HA ASN A 55 116.022 -1.320 13.920 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.942 -2.293 14.040 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.793 -2.496 15.348 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.863 -5.515 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.190 -4.548 13.531 1.00 0.00 H new ATOM 910 N LYS A 56 118.143 1.017 13.874 1.00 0.00 N ATOM 911 CA LYS A 56 118.425 2.336 14.529 1.00 0.00 C ATOM 912 C LYS A 56 117.277 3.334 14.300 1.00 0.00 C ATOM 913 O LYS A 56 117.221 4.352 14.969 1.00 0.00 O ATOM 914 CB LYS A 56 119.721 2.850 13.894 1.00 0.00 C ATOM 915 CG LYS A 56 120.884 1.924 14.261 1.00 0.00 C ATOM 916 CD LYS A 56 121.235 2.099 15.740 1.00 0.00 C ATOM 917 CE LYS A 56 122.508 1.312 16.060 1.00 0.00 C ATOM 918 NZ LYS A 56 122.706 1.482 17.527 1.00 0.00 N ATOM 0 H LYS A 56 118.468 0.941 12.910 1.00 0.00 H new ATOM 0 HA LYS A 56 118.520 2.223 15.609 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.611 2.898 12.811 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.928 3.863 14.239 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.613 0.887 14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 56 121.752 2.151 13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 56 121.381 3.155 15.967 1.00 0.00 H new ATOM 0 HD3 LYS A 56 120.412 1.749 16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 56 122.399 0.260 15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.361 1.695 15.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 123.561 0.970 17.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 122.813 2.493 17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 121.882 1.102 18.035 1.00 0.00 H new ATOM 932 N PHE A 57 116.378 3.062 13.377 1.00 0.00 N ATOM 933 CA PHE A 57 115.168 3.924 13.192 1.00 0.00 C ATOM 934 C PHE A 57 113.912 3.111 13.516 1.00 0.00 C ATOM 935 O PHE A 57 113.998 1.923 13.774 1.00 0.00 O ATOM 936 CB PHE A 57 115.162 4.349 11.719 1.00 0.00 C ATOM 937 CG PHE A 57 116.437 5.017 11.254 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.585 6.435 11.361 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.498 4.226 10.713 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.795 7.062 10.926 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.707 4.853 10.278 1.00 0.00 C ATOM 942 CZ PHE A 57 118.855 6.270 10.383 1.00 0.00 C ATOM 0 H PHE A 57 116.436 2.269 12.738 1.00 0.00 H new ATOM 0 HA PHE A 57 115.185 4.794 13.848 1.00 0.00 H new ATOM 0 HB2 PHE A 57 114.981 3.470 11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.328 5.031 11.554 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.784 7.032 11.770 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.386 3.155 10.633 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.908 8.133 11.008 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.509 4.255 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.768 6.743 10.052 1.00 0.00 H new ATOM 952 N LYS A 58 112.761 3.745 13.501 1.00 0.00 N ATOM 953 CA LYS A 58 111.486 3.037 13.848 1.00 0.00 C ATOM 954 C LYS A 58 110.843 2.463 12.583 1.00 0.00 C ATOM 955 O LYS A 58 110.225 3.185 11.819 1.00 0.00 O ATOM 956 CB LYS A 58 110.580 4.100 14.478 1.00 0.00 C ATOM 957 CG LYS A 58 111.184 4.589 15.798 1.00 0.00 C ATOM 958 CD LYS A 58 111.072 3.489 16.856 1.00 0.00 C ATOM 959 CE LYS A 58 111.495 4.046 18.218 1.00 0.00 C ATOM 960 NZ LYS A 58 110.278 4.722 18.750 1.00 0.00 N ATOM 0 H LYS A 58 112.650 4.730 13.261 1.00 0.00 H new ATOM 0 HA LYS A 58 111.656 2.203 14.529 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.458 4.938 13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.588 3.685 14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 58 112.229 4.861 15.652 1.00 0.00 H new ATOM 0 HG3 LYS A 58 110.665 5.486 16.136 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.048 3.119 16.905 1.00 0.00 H new ATOM 0 HD3 LYS A 58 111.704 2.643 16.585 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.828 3.250 18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 58 112.324 4.746 18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.552 5.601 19.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.634 4.945 17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.798 4.092 19.424 1.00 0.00 H new ATOM 974 N TYR A 59 110.990 1.175 12.368 1.00 0.00 N ATOM 975 CA TYR A 59 110.425 0.518 11.150 1.00 0.00 C ATOM 976 C TYR A 59 109.227 -0.368 11.520 1.00 0.00 C ATOM 977 O TYR A 59 108.905 -0.520 12.685 1.00 0.00 O ATOM 978 CB TYR A 59 111.591 -0.300 10.570 1.00 0.00 C ATOM 979 CG TYR A 59 112.037 -1.474 11.421 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.034 -1.295 12.431 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.456 -2.763 11.214 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.447 -2.404 13.233 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.870 -3.872 12.015 1.00 0.00 C ATOM 984 CZ TYR A 59 112.866 -3.692 13.024 1.00 0.00 C ATOM 985 OH TYR A 59 113.264 -4.763 13.798 1.00 0.00 O ATOM 0 H TYR A 59 111.486 0.544 12.997 1.00 0.00 H new ATOM 0 HA TYR A 59 110.044 1.235 10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.300 -0.672 9.588 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.442 0.365 10.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.475 -0.322 12.588 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.703 -2.899 10.452 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.198 -2.268 13.997 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.430 -4.846 11.858 1.00 0.00 H new ATOM 0 HH TYR A 59 114.241 -4.770 13.870 1.00 0.00 H new ATOM 995 N ILE A 60 108.582 -0.943 10.530 1.00 0.00 N ATOM 996 CA ILE A 60 107.473 -1.915 10.786 1.00 0.00 C ATOM 997 C ILE A 60 107.956 -3.312 10.378 1.00 0.00 C ATOM 998 O ILE A 60 108.488 -3.489 9.296 1.00 0.00 O ATOM 999 CB ILE A 60 106.290 -1.450 9.916 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.866 -0.027 10.308 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.085 -2.380 10.112 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.956 0.555 9.222 1.00 0.00 C ATOM 0 H ILE A 60 108.781 -0.776 9.544 1.00 0.00 H new ATOM 0 HA ILE A 60 107.172 -1.957 11.833 1.00 0.00 H new ATOM 0 HB ILE A 60 106.612 -1.471 8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.344 -0.043 11.265 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.746 0.603 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.257 -2.039 9.491 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.359 -3.395 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.782 -2.367 11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.656 1.565 9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.494 0.585 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.070 -0.071 9.116 1.00 0.00 H new ATOM 1014 N GLU A 61 107.772 -4.287 11.238 1.00 0.00 N ATOM 1015 CA GLU A 61 108.257 -5.673 10.954 1.00 0.00 C ATOM 1016 C GLU A 61 107.078 -6.585 10.602 1.00 0.00 C ATOM 1017 O GLU A 61 106.008 -6.456 11.169 1.00 0.00 O ATOM 1018 CB GLU A 61 108.912 -6.128 12.259 1.00 0.00 C ATOM 1019 CG GLU A 61 109.668 -7.436 12.024 1.00 0.00 C ATOM 1020 CD GLU A 61 110.249 -7.937 13.348 1.00 0.00 C ATOM 1021 OE1 GLU A 61 110.821 -7.132 14.065 1.00 0.00 O ATOM 1022 OE2 GLU A 61 110.113 -9.118 13.623 1.00 0.00 O ATOM 0 H GLU A 61 107.300 -4.178 12.136 1.00 0.00 H new ATOM 0 HA GLU A 61 108.947 -5.708 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.596 -5.361 12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.153 -6.268 13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 61 108.997 -8.185 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.468 -7.281 11.300 1.00 0.00 H new ATOM 1029 N THR A 62 107.277 -7.497 9.676 1.00 0.00 N ATOM 1030 CA THR A 62 106.195 -8.456 9.288 1.00 0.00 C ATOM 1031 C THR A 62 106.662 -9.904 9.481 1.00 0.00 C ATOM 1032 O THR A 62 107.758 -10.260 9.089 1.00 0.00 O ATOM 1033 CB THR A 62 105.917 -8.164 7.813 1.00 0.00 C ATOM 1034 OG1 THR A 62 107.138 -8.188 7.089 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.267 -6.785 7.685 1.00 0.00 C ATOM 0 H THR A 62 108.154 -7.617 9.168 1.00 0.00 H new ATOM 0 HA THR A 62 105.301 -8.337 9.901 1.00 0.00 H new ATOM 0 HB THR A 62 105.244 -8.920 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.593 -7.325 7.186 1.00 0.00 H new ATOM 0 HG21 THR A 62 105.067 -6.573 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.330 -6.771 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.940 -6.027 8.087 1.00 0.00 H new ATOM 1043 N GLU A 63 105.821 -10.722 10.073 1.00 0.00 N ATOM 1044 CA GLU A 63 106.243 -12.087 10.531 1.00 0.00 C ATOM 1045 C GLU A 63 106.344 -13.074 9.357 1.00 0.00 C ATOM 1046 O GLU A 63 105.969 -12.758 8.243 1.00 0.00 O ATOM 1047 CB GLU A 63 105.191 -12.552 11.554 1.00 0.00 C ATOM 1048 CG GLU A 63 103.788 -12.609 10.934 1.00 0.00 C ATOM 1049 CD GLU A 63 102.885 -13.494 11.795 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.687 -13.158 12.951 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.407 -14.492 11.283 1.00 0.00 O ATOM 0 H GLU A 63 104.844 -10.497 10.261 1.00 0.00 H new ATOM 0 HA GLU A 63 107.236 -12.049 10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.462 -13.537 11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 63 105.186 -11.872 12.406 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.370 -11.605 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.843 -13.005 9.920 1.00 0.00 H new ATOM 1058 N ASP A 64 106.850 -14.260 9.621 1.00 0.00 N ATOM 1059 CA ASP A 64 107.018 -15.298 8.547 1.00 0.00 C ATOM 1060 C ASP A 64 105.637 -15.771 8.079 1.00 0.00 C ATOM 1061 O ASP A 64 104.740 -15.940 8.887 1.00 0.00 O ATOM 1062 CB ASP A 64 107.787 -16.469 9.182 1.00 0.00 C ATOM 1063 CG ASP A 64 109.160 -16.005 9.678 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.951 -15.573 8.857 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.395 -16.093 10.871 1.00 0.00 O ATOM 0 H ASP A 64 107.158 -14.556 10.547 1.00 0.00 H new ATOM 0 HA ASP A 64 107.555 -14.901 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 64 107.214 -16.880 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.909 -17.270 8.452 1.00 0.00 H new ATOM 1070 N PHE A 65 105.471 -15.983 6.792 1.00 0.00 N ATOM 1071 CA PHE A 65 104.129 -16.348 6.238 1.00 0.00 C ATOM 1072 C PHE A 65 104.266 -17.399 5.131 1.00 0.00 C ATOM 1073 O PHE A 65 105.351 -17.632 4.631 1.00 0.00 O ATOM 1074 CB PHE A 65 103.550 -15.039 5.690 1.00 0.00 C ATOM 1075 CG PHE A 65 104.383 -14.393 4.604 1.00 0.00 C ATOM 1076 CD1 PHE A 65 105.402 -13.452 4.949 1.00 0.00 C ATOM 1077 CD2 PHE A 65 104.149 -14.724 3.234 1.00 0.00 C ATOM 1078 CE1 PHE A 65 106.188 -12.842 3.922 1.00 0.00 C ATOM 1079 CE2 PHE A 65 104.935 -14.116 2.207 1.00 0.00 C ATOM 1080 CZ PHE A 65 105.954 -13.174 2.551 1.00 0.00 C ATOM 0 H PHE A 65 106.216 -15.918 6.098 1.00 0.00 H new ATOM 0 HA PHE A 65 103.480 -16.788 6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.552 -15.234 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.437 -14.333 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 65 105.578 -13.202 5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 65 103.378 -15.434 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 65 106.958 -12.131 4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 65 104.759 -14.368 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.547 -12.713 1.775 1.00 0.00 H new ATOM 1090 N GLU A 66 103.171 -18.025 4.759 1.00 0.00 N ATOM 1091 CA GLU A 66 103.195 -19.050 3.670 1.00 0.00 C ATOM 1092 C GLU A 66 102.214 -18.672 2.554 1.00 0.00 C ATOM 1093 O GLU A 66 101.197 -18.050 2.802 1.00 0.00 O ATOM 1094 CB GLU A 66 102.764 -20.358 4.342 1.00 0.00 C ATOM 1095 CG GLU A 66 103.993 -21.088 4.897 1.00 0.00 C ATOM 1096 CD GLU A 66 103.563 -22.345 5.660 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.552 -22.295 6.344 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.261 -23.340 5.555 1.00 0.00 O ATOM 0 H GLU A 66 102.252 -17.865 5.171 1.00 0.00 H new ATOM 0 HA GLU A 66 104.179 -19.132 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 102.060 -20.149 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.246 -20.993 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.662 -21.360 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.551 -20.425 5.559 1.00 0.00 H new ATOM 1105 N PHE A 67 102.531 -19.048 1.337 1.00 0.00 N ATOM 1106 CA PHE A 67 101.616 -18.810 0.181 1.00 0.00 C ATOM 1107 C PHE A 67 101.817 -19.916 -0.860 1.00 0.00 C ATOM 1108 O PHE A 67 102.936 -20.280 -1.168 1.00 0.00 O ATOM 1109 CB PHE A 67 102.036 -17.449 -0.379 1.00 0.00 C ATOM 1110 CG PHE A 67 101.219 -16.995 -1.567 1.00 0.00 C ATOM 1111 CD1 PHE A 67 99.997 -16.282 -1.365 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.672 -17.275 -2.893 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.228 -15.849 -2.489 1.00 0.00 C ATOM 1114 CE2 PHE A 67 100.904 -16.842 -4.018 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.681 -16.129 -3.816 1.00 0.00 C ATOM 0 H PHE A 67 103.403 -19.519 1.095 1.00 0.00 H new ATOM 0 HA PHE A 67 100.563 -18.818 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 67 101.956 -16.702 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.086 -17.495 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.655 -16.070 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.595 -17.814 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.305 -15.310 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.247 -17.053 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.100 -15.802 -4.665 1.00 0.00 H new ATOM 1125 N ASN A 68 100.741 -20.457 -1.397 1.00 0.00 N ATOM 1126 CA ASN A 68 100.813 -21.539 -2.442 1.00 0.00 C ATOM 1127 C ASN A 68 101.713 -22.708 -2.004 1.00 0.00 C ATOM 1128 O ASN A 68 102.362 -23.335 -2.823 1.00 0.00 O ATOM 1129 CB ASN A 68 101.366 -20.868 -3.706 1.00 0.00 C ATOM 1130 CG ASN A 68 100.308 -19.934 -4.297 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.578 -19.285 -3.574 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.191 -19.839 -5.593 1.00 0.00 N ATOM 0 H ASN A 68 99.790 -20.185 -1.147 1.00 0.00 H new ATOM 0 HA ASN A 68 99.828 -21.974 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.269 -20.306 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.647 -21.625 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.488 -19.221 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.803 -20.383 -6.202 1.00 0.00 H new ATOM 1139 N GLY A 69 101.744 -22.992 -0.722 1.00 0.00 N ATOM 1140 CA GLY A 69 102.523 -24.161 -0.202 1.00 0.00 C ATOM 1141 C GLY A 69 104.026 -23.855 -0.120 1.00 0.00 C ATOM 1142 O GLY A 69 104.824 -24.771 -0.025 1.00 0.00 O ATOM 0 H GLY A 69 101.256 -22.455 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.153 -24.433 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.362 -25.022 -0.851 1.00 0.00 H new ATOM 1146 N LYS A 70 104.417 -22.597 -0.154 1.00 0.00 N ATOM 1147 CA LYS A 70 105.865 -22.230 -0.068 1.00 0.00 C ATOM 1148 C LYS A 70 106.091 -21.289 1.118 1.00 0.00 C ATOM 1149 O LYS A 70 105.275 -20.423 1.378 1.00 0.00 O ATOM 1150 CB LYS A 70 106.176 -21.518 -1.385 1.00 0.00 C ATOM 1151 CG LYS A 70 106.092 -22.517 -2.541 1.00 0.00 C ATOM 1152 CD LYS A 70 106.499 -21.825 -3.844 1.00 0.00 C ATOM 1153 CE LYS A 70 106.293 -22.786 -5.017 1.00 0.00 C ATOM 1154 NZ LYS A 70 104.851 -22.663 -5.367 1.00 0.00 N ATOM 0 H LYS A 70 103.783 -21.803 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 70 106.506 -23.099 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.471 -20.702 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.171 -21.076 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.746 -23.368 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.078 -22.907 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 70 105.905 -20.923 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.543 -21.515 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 106.928 -22.520 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 70 106.546 -23.809 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 104.471 -23.600 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 104.328 -22.277 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 104.745 -22.025 -6.181 1.00 0.00 H new ATOM 1168 N ARG A 71 107.187 -21.459 1.823 1.00 0.00 N ATOM 1169 CA ARG A 71 107.466 -20.621 3.031 1.00 0.00 C ATOM 1170 C ARG A 71 108.322 -19.408 2.654 1.00 0.00 C ATOM 1171 O ARG A 71 109.323 -19.544 1.974 1.00 0.00 O ATOM 1172 CB ARG A 71 108.227 -21.538 3.993 1.00 0.00 C ATOM 1173 CG ARG A 71 107.293 -22.645 4.487 1.00 0.00 C ATOM 1174 CD ARG A 71 108.048 -23.566 5.451 1.00 0.00 C ATOM 1175 NE ARG A 71 107.092 -24.671 5.792 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.493 -25.869 6.172 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.758 -26.191 6.317 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.589 -26.775 6.428 1.00 0.00 N ATOM 0 H ARG A 71 107.906 -22.150 1.609 1.00 0.00 H new ATOM 0 HA ARG A 71 106.550 -20.235 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 71 109.091 -21.973 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.606 -20.963 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.429 -22.208 4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.915 -23.219 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.952 -23.960 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.358 -23.026 6.346 1.00 0.00 H new ATOM 0 HE ARG A 71 106.091 -24.488 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.485 -25.499 6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 71 109.014 -27.133 6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.599 -26.549 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.873 -27.709 6.724 1.00 0.00 H new ATOM 1192 N PHE A 72 107.925 -18.236 3.095 1.00 0.00 N ATOM 1193 CA PHE A 72 108.707 -16.994 2.817 1.00 0.00 C ATOM 1194 C PHE A 72 109.106 -16.325 4.134 1.00 0.00 C ATOM 1195 O PHE A 72 108.347 -16.336 5.088 1.00 0.00 O ATOM 1196 CB PHE A 72 107.756 -16.100 2.018 1.00 0.00 C ATOM 1197 CG PHE A 72 107.367 -16.689 0.682 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.286 -17.620 0.599 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.081 -16.314 -0.499 1.00 0.00 C ATOM 1200 CE1 PHE A 72 105.920 -18.179 -0.665 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.714 -16.872 -1.762 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.633 -17.804 -1.846 1.00 0.00 C ATOM 0 H PHE A 72 107.078 -18.089 3.644 1.00 0.00 H new ATOM 0 HA PHE A 72 109.629 -17.192 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.855 -15.922 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.228 -15.131 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.746 -17.901 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.897 -15.609 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.105 -18.885 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.254 -16.590 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.355 -18.225 -2.801 1.00 0.00 H new ATOM 1212 N PHE A 73 110.282 -15.742 4.177 1.00 0.00 N ATOM 1213 CA PHE A 73 110.871 -15.290 5.477 1.00 0.00 C ATOM 1214 C PHE A 73 110.393 -13.875 5.819 1.00 0.00 C ATOM 1215 O PHE A 73 110.027 -13.112 4.944 1.00 0.00 O ATOM 1216 CB PHE A 73 112.388 -15.311 5.276 1.00 0.00 C ATOM 1217 CG PHE A 73 112.946 -16.697 5.053 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.369 -17.486 6.167 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.051 -17.220 3.727 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.897 -18.798 5.956 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.579 -18.531 3.515 1.00 0.00 C ATOM 1222 CZ PHE A 73 114.002 -19.320 4.629 1.00 0.00 C ATOM 0 H PHE A 73 110.863 -15.559 3.359 1.00 0.00 H new ATOM 0 HA PHE A 73 110.568 -15.935 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.642 -14.684 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.869 -14.870 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.290 -17.091 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.731 -16.624 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 73 114.216 -19.394 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.658 -18.926 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.401 -20.311 4.469 1.00 0.00 H new ATOM 1232 N GLY A 74 110.404 -13.537 7.089 1.00 0.00 N ATOM 1233 CA GLY A 74 109.886 -12.214 7.551 1.00 0.00 C ATOM 1234 C GLY A 74 110.791 -11.090 7.042 1.00 0.00 C ATOM 1235 O GLY A 74 111.947 -11.312 6.724 1.00 0.00 O ATOM 0 H GLY A 74 110.757 -14.136 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.869 -12.066 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.842 -12.192 8.640 1.00 0.00 H new ATOM 1239 N VAL A 75 110.264 -9.889 6.976 1.00 0.00 N ATOM 1240 CA VAL A 75 111.020 -8.744 6.377 1.00 0.00 C ATOM 1241 C VAL A 75 110.805 -7.472 7.204 1.00 0.00 C ATOM 1242 O VAL A 75 109.807 -7.341 7.889 1.00 0.00 O ATOM 1243 CB VAL A 75 110.491 -8.569 4.942 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.810 -9.820 4.121 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.974 -8.334 4.927 1.00 0.00 C ATOM 0 H VAL A 75 109.332 -9.652 7.316 1.00 0.00 H new ATOM 0 HA VAL A 75 112.093 -8.938 6.369 1.00 0.00 H new ATOM 0 HB VAL A 75 110.980 -7.696 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.435 -9.694 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.889 -9.971 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.334 -10.687 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.634 -8.215 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.469 -9.188 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.740 -7.433 5.493 1.00 0.00 H new ATOM 1255 N LYS A 76 111.739 -6.551 7.138 1.00 0.00 N ATOM 1256 CA LYS A 76 111.576 -5.230 7.820 1.00 0.00 C ATOM 1257 C LYS A 76 111.467 -4.120 6.770 1.00 0.00 C ATOM 1258 O LYS A 76 112.201 -4.120 5.797 1.00 0.00 O ATOM 1259 CB LYS A 76 112.843 -5.051 8.659 1.00 0.00 C ATOM 1260 CG LYS A 76 112.886 -6.104 9.770 1.00 0.00 C ATOM 1261 CD LYS A 76 114.051 -5.807 10.715 1.00 0.00 C ATOM 1262 CE LYS A 76 115.373 -6.141 10.019 1.00 0.00 C ATOM 1263 NZ LYS A 76 116.400 -6.080 11.095 1.00 0.00 N ATOM 0 H LYS A 76 112.618 -6.662 6.633 1.00 0.00 H new ATOM 0 HA LYS A 76 110.677 -5.187 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.725 -5.142 8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.864 -4.051 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.947 -6.102 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.000 -7.098 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 76 114.037 -4.757 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 76 113.951 -6.393 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 76 115.339 -7.130 9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 115.592 -5.428 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 117.337 -5.924 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.178 -5.297 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 116.403 -6.976 11.623 1.00 0.00 H new ATOM 1277 N VAL A 77 110.562 -3.189 6.970 1.00 0.00 N ATOM 1278 CA VAL A 77 110.331 -2.106 5.959 1.00 0.00 C ATOM 1279 C VAL A 77 110.271 -0.749 6.675 1.00 0.00 C ATOM 1280 O VAL A 77 109.704 -0.643 7.748 1.00 0.00 O ATOM 1281 CB VAL A 77 108.988 -2.440 5.279 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.663 -1.406 4.194 1.00 0.00 C ATOM 1283 CG2 VAL A 77 109.055 -3.821 4.614 1.00 0.00 C ATOM 0 H VAL A 77 109.969 -3.133 7.798 1.00 0.00 H new ATOM 0 HA VAL A 77 111.130 -2.048 5.220 1.00 0.00 H new ATOM 0 HB VAL A 77 108.216 -2.430 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.712 -1.658 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.595 -0.416 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.451 -1.409 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.100 -4.043 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.844 -3.825 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.269 -4.578 5.368 1.00 0.00 H new ATOM 1293 N LEU A 78 110.851 0.271 6.082 1.00 0.00 N ATOM 1294 CA LEU A 78 110.819 1.639 6.688 1.00 0.00 C ATOM 1295 C LEU A 78 110.534 2.694 5.599 1.00 0.00 C ATOM 1296 O LEU A 78 111.252 2.724 4.617 1.00 0.00 O ATOM 1297 CB LEU A 78 112.222 1.816 7.276 1.00 0.00 C ATOM 1298 CG LEU A 78 112.336 3.143 8.035 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.471 3.109 9.297 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.794 3.356 8.441 1.00 0.00 C ATOM 0 H LEU A 78 111.350 0.210 5.194 1.00 0.00 H new ATOM 0 HA LEU A 78 110.040 1.758 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.445 0.988 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.962 1.786 6.476 1.00 0.00 H new ATOM 0 HG LEU A 78 111.996 3.953 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.562 4.058 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.429 2.946 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.805 2.299 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.887 4.298 8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.117 2.536 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.419 3.387 7.549 1.00 0.00 H new ATOM 1312 N PRO A 79 109.516 3.528 5.780 1.00 0.00 N ATOM 1313 CA PRO A 79 109.211 4.601 4.777 1.00 0.00 C ATOM 1314 C PRO A 79 110.361 5.611 4.665 1.00 0.00 C ATOM 1315 O PRO A 79 111.075 5.850 5.622 1.00 0.00 O ATOM 1316 CB PRO A 79 107.961 5.277 5.349 1.00 0.00 C ATOM 1317 CG PRO A 79 107.362 4.231 6.220 1.00 0.00 C ATOM 1318 CD PRO A 79 108.534 3.577 6.882 1.00 0.00 C ATOM 0 HA PRO A 79 109.069 4.203 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.214 6.173 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.274 5.582 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.684 4.666 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.784 3.513 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.900 4.156 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.290 2.583 7.256 1.00 0.00 H new ATOM 1326 N ILE A 80 110.533 6.193 3.498 1.00 0.00 N ATOM 1327 CA ILE A 80 111.498 7.327 3.326 1.00 0.00 C ATOM 1328 C ILE A 80 110.925 8.369 2.356 1.00 0.00 C ATOM 1329 O ILE A 80 109.921 8.128 1.709 1.00 0.00 O ATOM 1330 CB ILE A 80 112.800 6.721 2.770 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.551 5.995 1.435 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.384 5.739 3.791 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.885 5.628 0.778 1.00 0.00 C ATOM 0 H ILE A 80 110.038 5.925 2.647 1.00 0.00 H new ATOM 0 HA ILE A 80 111.683 7.835 4.273 1.00 0.00 H new ATOM 0 HB ILE A 80 113.506 7.532 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.961 5.094 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.972 6.633 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.306 5.310 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.597 6.265 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.665 4.942 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.697 5.115 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.460 6.535 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.449 4.972 1.441 1.00 0.00 H new ATOM 1345 N LYS A 81 111.563 9.511 2.260 1.00 0.00 N ATOM 1346 CA LYS A 81 111.261 10.475 1.158 1.00 0.00 C ATOM 1347 C LYS A 81 112.486 10.598 0.248 1.00 0.00 C ATOM 1348 O LYS A 81 113.591 10.774 0.727 1.00 0.00 O ATOM 1349 CB LYS A 81 110.966 11.808 1.849 1.00 0.00 C ATOM 1350 CG LYS A 81 109.686 11.696 2.680 1.00 0.00 C ATOM 1351 CD LYS A 81 108.472 11.614 1.751 1.00 0.00 C ATOM 1352 CE LYS A 81 107.189 11.730 2.575 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.927 10.352 3.077 1.00 0.00 N ATOM 0 H LYS A 81 112.289 9.819 2.907 1.00 0.00 H new ATOM 0 HA LYS A 81 110.421 10.157 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.802 12.087 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.858 12.597 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.730 10.811 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.593 12.558 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.514 12.412 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.482 10.671 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 81 107.311 12.433 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 81 106.361 12.092 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.465 10.403 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 106.306 9.851 2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 107.827 9.838 3.165 1.00 0.00 H new ATOM 1367 N ILE A 82 112.290 10.506 -1.046 1.00 0.00 N ATOM 1368 CA ILE A 82 113.441 10.510 -2.005 1.00 0.00 C ATOM 1369 C ILE A 82 113.479 11.865 -2.722 1.00 0.00 C ATOM 1370 O ILE A 82 112.510 12.259 -3.347 1.00 0.00 O ATOM 1371 CB ILE A 82 113.175 9.356 -2.993 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.092 8.018 -2.243 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.312 9.259 -4.018 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.476 6.955 -3.155 1.00 0.00 C ATOM 0 H ILE A 82 111.372 10.427 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 82 114.404 10.371 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 82 112.231 9.560 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.087 7.706 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.490 8.132 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.110 8.440 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.381 10.194 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.253 9.074 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.418 6.007 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.474 7.266 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.096 6.834 -4.043 1.00 0.00 H new ATOM 1386 N LEU A 83 114.589 12.561 -2.626 1.00 0.00 N ATOM 1387 CA LEU A 83 114.715 13.909 -3.260 1.00 0.00 C ATOM 1388 C LEU A 83 115.630 13.834 -4.487 1.00 0.00 C ATOM 1389 O LEU A 83 116.803 13.523 -4.367 1.00 0.00 O ATOM 1390 CB LEU A 83 115.338 14.806 -2.186 1.00 0.00 C ATOM 1391 CG LEU A 83 114.373 14.963 -1.006 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.102 15.632 0.162 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.185 15.832 -1.424 1.00 0.00 C ATOM 0 H LEU A 83 115.422 12.246 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 83 113.752 14.291 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.278 14.375 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.571 15.784 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 83 114.014 13.980 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.417 15.744 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 83 115.948 15.015 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.461 16.614 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.501 15.942 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.543 16.815 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.664 15.360 -2.257 1.00 0.00 H new ATOM 1405 N ILE A 84 115.093 14.116 -5.652 1.00 0.00 N ATOM 1406 CA ILE A 84 115.915 14.147 -6.902 1.00 0.00 C ATOM 1407 C ILE A 84 115.628 15.463 -7.633 1.00 0.00 C ATOM 1408 O ILE A 84 114.492 15.747 -7.969 1.00 0.00 O ATOM 1409 CB ILE A 84 115.471 12.929 -7.737 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.712 11.629 -6.957 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.274 12.859 -9.043 1.00 0.00 C ATOM 1412 CD1 ILE A 84 114.954 10.479 -7.625 1.00 0.00 C ATOM 0 H ILE A 84 114.105 14.329 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 84 116.987 14.097 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 84 114.409 13.042 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.778 11.405 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.380 11.746 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 84 115.951 11.995 -9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.107 13.767 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.335 12.765 -8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.127 9.558 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.887 10.703 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.307 10.357 -8.649 1.00 0.00 H new ATOM 1424 N GLY A 85 116.647 16.260 -7.872 1.00 0.00 N ATOM 1425 CA GLY A 85 116.461 17.581 -8.552 1.00 0.00 C ATOM 1426 C GLY A 85 115.611 18.506 -7.672 1.00 0.00 C ATOM 1427 O GLY A 85 115.985 18.814 -6.555 1.00 0.00 O ATOM 0 H GLY A 85 117.612 16.045 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.431 18.040 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 85 115.977 17.438 -9.518 1.00 0.00 H new ATOM 1431 N ASN A 86 114.478 18.939 -8.179 1.00 0.00 N ATOM 1432 CA ASN A 86 113.535 19.773 -7.370 1.00 0.00 C ATOM 1433 C ASN A 86 112.240 19.012 -7.039 1.00 0.00 C ATOM 1434 O ASN A 86 111.257 19.628 -6.666 1.00 0.00 O ATOM 1435 CB ASN A 86 113.224 20.982 -8.253 1.00 0.00 C ATOM 1436 CG ASN A 86 114.478 21.846 -8.402 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.234 22.011 -7.464 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.734 22.410 -9.551 1.00 0.00 N ATOM 0 H ASN A 86 114.165 18.746 -9.131 1.00 0.00 H new ATOM 0 HA ASN A 86 113.975 20.050 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.880 20.650 -9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.417 21.568 -7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.567 22.988 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.101 22.273 -10.339 1.00 0.00 H new ATOM 1445 N LYS A 87 112.230 17.700 -7.168 1.00 0.00 N ATOM 1446 CA LYS A 87 110.972 16.913 -6.965 1.00 0.00 C ATOM 1447 C LYS A 87 111.147 15.909 -5.822 1.00 0.00 C ATOM 1448 O LYS A 87 112.214 15.347 -5.649 1.00 0.00 O ATOM 1449 CB LYS A 87 110.747 16.178 -8.288 1.00 0.00 C ATOM 1450 CG LYS A 87 110.410 17.189 -9.387 1.00 0.00 C ATOM 1451 CD LYS A 87 110.075 16.444 -10.681 1.00 0.00 C ATOM 1452 CE LYS A 87 109.854 17.453 -11.809 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.064 16.717 -12.835 1.00 0.00 N ATOM 0 H LYS A 87 113.049 17.140 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 87 110.129 17.551 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.640 15.615 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 87 109.936 15.457 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.565 17.806 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.253 17.860 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 87 110.886 15.763 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.181 15.836 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.317 18.332 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.802 17.803 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 108.872 17.345 -13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 109.603 15.889 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.164 16.402 -12.420 1.00 0.00 H new ATOM 1467 N LYS A 88 110.104 15.689 -5.052 1.00 0.00 N ATOM 1468 CA LYS A 88 110.156 14.693 -3.935 1.00 0.00 C ATOM 1469 C LYS A 88 109.054 13.641 -4.109 1.00 0.00 C ATOM 1470 O LYS A 88 107.900 13.977 -4.312 1.00 0.00 O ATOM 1471 CB LYS A 88 109.980 15.498 -2.636 1.00 0.00 C ATOM 1472 CG LYS A 88 108.644 16.254 -2.609 1.00 0.00 C ATOM 1473 CD LYS A 88 108.549 17.070 -1.317 1.00 0.00 C ATOM 1474 CE LYS A 88 107.123 17.599 -1.152 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.006 18.704 -2.144 1.00 0.00 N ATOM 0 H LYS A 88 109.208 16.165 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 88 111.099 14.147 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.033 14.824 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.801 16.208 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.568 16.912 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.814 15.550 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.820 16.450 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.255 17.900 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.387 16.818 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.950 17.959 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.789 19.593 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.904 18.805 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 106.243 18.487 -2.817 1.00 0.00 H new ATOM 1489 N ILE A 89 109.414 12.379 -4.034 1.00 0.00 N ATOM 1490 CA ILE A 89 108.415 11.273 -4.181 1.00 0.00 C ATOM 1491 C ILE A 89 108.510 10.353 -2.955 1.00 0.00 C ATOM 1492 O ILE A 89 109.585 10.150 -2.421 1.00 0.00 O ATOM 1493 CB ILE A 89 108.794 10.529 -5.478 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.724 11.479 -6.681 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.824 9.368 -5.730 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.537 10.899 -7.841 1.00 0.00 C ATOM 0 H ILE A 89 110.372 12.066 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 89 107.388 11.634 -4.240 1.00 0.00 H new ATOM 0 HB ILE A 89 109.809 10.150 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.687 11.621 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.112 12.460 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.104 8.853 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.868 8.670 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.810 9.756 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.486 11.575 -8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.576 10.780 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.129 9.928 -8.122 1.00 0.00 H new ATOM 1508 N ASP A 90 107.394 9.812 -2.520 1.00 0.00 N ATOM 1509 CA ASP A 90 107.402 8.857 -1.364 1.00 0.00 C ATOM 1510 C ASP A 90 107.975 7.507 -1.805 1.00 0.00 C ATOM 1511 O ASP A 90 107.646 7.015 -2.870 1.00 0.00 O ATOM 1512 CB ASP A 90 105.940 8.694 -0.932 1.00 0.00 C ATOM 1513 CG ASP A 90 105.415 10.023 -0.386 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.542 10.242 0.808 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.894 10.799 -1.171 1.00 0.00 O ATOM 0 H ASP A 90 106.473 9.993 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 90 108.018 9.227 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.334 8.372 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.860 7.919 -0.170 1.00 0.00 H new ATOM 1520 N GLY A 91 108.825 6.919 -0.993 1.00 0.00 N ATOM 1521 CA GLY A 91 109.407 5.582 -1.316 1.00 0.00 C ATOM 1522 C GLY A 91 109.621 4.801 -0.018 1.00 0.00 C ATOM 1523 O GLY A 91 109.111 5.182 1.021 1.00 0.00 O ATOM 0 H GLY A 91 109.142 7.318 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.740 5.032 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.354 5.702 -1.843 1.00 0.00 H new ATOM 1527 N ALA A 92 110.372 3.725 -0.078 1.00 0.00 N ATOM 1528 CA ALA A 92 110.633 2.897 1.140 1.00 0.00 C ATOM 1529 C ALA A 92 111.884 2.039 0.943 1.00 0.00 C ATOM 1530 O ALA A 92 112.257 1.738 -0.175 1.00 0.00 O ATOM 1531 CB ALA A 92 109.391 2.017 1.294 1.00 0.00 C ATOM 0 H ALA A 92 110.819 3.384 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 92 110.810 3.509 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.505 1.377 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.511 2.648 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.271 1.398 0.405 1.00 0.00 H new ATOM 1537 N ILE A 93 112.521 1.652 2.025 1.00 0.00 N ATOM 1538 CA ILE A 93 113.717 0.755 1.944 1.00 0.00 C ATOM 1539 C ILE A 93 113.319 -0.629 2.473 1.00 0.00 C ATOM 1540 O ILE A 93 112.576 -0.729 3.435 1.00 0.00 O ATOM 1541 CB ILE A 93 114.799 1.394 2.837 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.132 2.814 2.358 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.087 0.561 2.787 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.912 3.553 3.449 1.00 0.00 C ATOM 0 H ILE A 93 112.258 1.924 2.972 1.00 0.00 H new ATOM 0 HA ILE A 93 114.088 0.639 0.926 1.00 0.00 H new ATOM 0 HB ILE A 93 114.409 1.430 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.720 2.771 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.215 3.354 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.844 1.022 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.881 -0.449 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.452 0.517 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.148 4.561 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.308 3.608 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.836 3.016 3.662 1.00 0.00 H new ATOM 1556 N VAL A 94 113.811 -1.675 1.848 1.00 0.00 N ATOM 1557 CA VAL A 94 113.416 -3.067 2.238 1.00 0.00 C ATOM 1558 C VAL A 94 114.678 -3.869 2.590 1.00 0.00 C ATOM 1559 O VAL A 94 115.647 -3.854 1.852 1.00 0.00 O ATOM 1560 CB VAL A 94 112.696 -3.661 1.012 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.220 -5.089 1.309 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.467 -2.817 0.653 1.00 0.00 C ATOM 0 H VAL A 94 114.476 -1.622 1.077 1.00 0.00 H new ATOM 0 HA VAL A 94 112.764 -3.089 3.111 1.00 0.00 H new ATOM 0 HB VAL A 94 113.404 -3.667 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.714 -5.493 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.078 -5.715 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.530 -5.074 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 94 110.969 -3.250 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.777 -2.802 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.780 -1.799 0.422 1.00 0.00 H new ATOM 1572 N VAL A 95 114.655 -4.558 3.708 1.00 0.00 N ATOM 1573 CA VAL A 95 115.805 -5.431 4.106 1.00 0.00 C ATOM 1574 C VAL A 95 115.251 -6.711 4.768 1.00 0.00 C ATOM 1575 O VAL A 95 114.439 -6.597 5.667 1.00 0.00 O ATOM 1576 CB VAL A 95 116.636 -4.598 5.104 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.855 -5.396 5.583 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.139 -3.314 4.435 1.00 0.00 C ATOM 0 H VAL A 95 113.878 -4.552 4.369 1.00 0.00 H new ATOM 0 HA VAL A 95 116.420 -5.738 3.260 1.00 0.00 H new ATOM 0 HB VAL A 95 115.994 -4.354 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.430 -4.794 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.521 -6.309 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.481 -5.652 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.724 -2.736 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.763 -3.570 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.288 -2.721 4.099 1.00 0.00 H new ATOM 1588 N PRO A 96 115.681 -7.886 4.329 1.00 0.00 N ATOM 1589 CA PRO A 96 115.238 -9.165 4.980 1.00 0.00 C ATOM 1590 C PRO A 96 115.637 -9.207 6.463 1.00 0.00 C ATOM 1591 O PRO A 96 116.588 -8.561 6.866 1.00 0.00 O ATOM 1592 CB PRO A 96 115.991 -10.241 4.193 1.00 0.00 C ATOM 1593 CG PRO A 96 116.244 -9.600 2.874 1.00 0.00 C ATOM 1594 CD PRO A 96 116.591 -8.180 3.202 1.00 0.00 C ATOM 0 HA PRO A 96 114.155 -9.291 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.921 -10.521 4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.398 -11.150 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.058 -10.094 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.365 -9.655 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.638 -8.072 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.420 -7.514 2.356 1.00 0.00 H new ATOM 1602 N LYS A 97 114.911 -9.961 7.261 1.00 0.00 N ATOM 1603 CA LYS A 97 115.257 -10.109 8.718 1.00 0.00 C ATOM 1604 C LYS A 97 116.642 -10.743 8.903 1.00 0.00 C ATOM 1605 O LYS A 97 117.323 -10.454 9.872 1.00 0.00 O ATOM 1606 CB LYS A 97 114.186 -11.021 9.327 1.00 0.00 C ATOM 1607 CG LYS A 97 112.882 -10.240 9.495 1.00 0.00 C ATOM 1608 CD LYS A 97 111.838 -11.134 10.166 1.00 0.00 C ATOM 1609 CE LYS A 97 110.522 -10.366 10.306 1.00 0.00 C ATOM 1610 NZ LYS A 97 109.683 -11.203 11.208 1.00 0.00 N ATOM 0 H LYS A 97 114.087 -10.484 6.964 1.00 0.00 H new ATOM 0 HA LYS A 97 115.285 -9.132 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 97 114.023 -11.887 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 97 114.522 -11.399 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 97 113.054 -9.348 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.519 -9.904 8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.683 -12.037 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.192 -11.452 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 97 110.686 -9.374 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 97 110.042 -10.225 9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 108.827 -10.675 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 109.411 -12.078 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.224 -11.441 12.064 1.00 0.00 H new ATOM 1624 N LYS A 98 117.049 -11.593 7.988 1.00 0.00 N ATOM 1625 CA LYS A 98 118.349 -12.325 8.141 1.00 0.00 C ATOM 1626 C LYS A 98 119.506 -11.466 7.625 1.00 0.00 C ATOM 1627 O LYS A 98 119.652 -11.276 6.429 1.00 0.00 O ATOM 1628 CB LYS A 98 118.213 -13.601 7.302 1.00 0.00 C ATOM 1629 CG LYS A 98 117.148 -14.510 7.919 1.00 0.00 C ATOM 1630 CD LYS A 98 117.184 -15.880 7.238 1.00 0.00 C ATOM 1631 CE LYS A 98 116.613 -15.765 5.823 1.00 0.00 C ATOM 1632 NZ LYS A 98 116.821 -17.109 5.214 1.00 0.00 N ATOM 0 H LYS A 98 116.533 -11.812 7.136 1.00 0.00 H new ATOM 0 HA LYS A 98 118.560 -12.555 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.940 -13.347 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 98 119.169 -14.123 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 98 117.325 -14.620 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 98 116.161 -14.061 7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 98 118.208 -16.251 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 98 116.606 -16.600 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 98 115.556 -15.500 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 98 117.124 -14.990 5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 117.016 -17.003 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 117.627 -17.578 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 115.965 -17.685 5.344 1.00 0.00 H new ATOM 1646 N THR A 99 120.317 -10.956 8.523 1.00 0.00 N ATOM 1647 CA THR A 99 121.501 -10.133 8.126 1.00 0.00 C ATOM 1648 C THR A 99 122.752 -10.629 8.856 1.00 0.00 C ATOM 1649 O THR A 99 122.673 -11.060 9.993 1.00 0.00 O ATOM 1650 CB THR A 99 121.154 -8.706 8.558 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.866 -8.365 8.064 1.00 0.00 O ATOM 1652 CG2 THR A 99 122.192 -7.733 7.997 1.00 0.00 C ATOM 0 H THR A 99 120.205 -11.078 9.529 1.00 0.00 H new ATOM 0 HA THR A 99 121.711 -10.193 7.058 1.00 0.00 H new ATOM 0 HB THR A 99 121.155 -8.645 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 99 119.641 -7.452 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.943 -6.718 8.306 1.00 0.00 H new ATOM 0 HG22 THR A 99 123.179 -7.996 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 99 122.194 -7.791 6.909 1.00 0.00 H new ATOM 1660 N TYR A 100 123.893 -10.567 8.206 1.00 0.00 N ATOM 1661 CA TYR A 100 125.166 -11.052 8.827 1.00 0.00 C ATOM 1662 C TYR A 100 125.902 -9.891 9.500 1.00 0.00 C ATOM 1663 O TYR A 100 126.144 -9.920 10.694 1.00 0.00 O ATOM 1664 CB TYR A 100 125.994 -11.615 7.671 1.00 0.00 C ATOM 1665 CG TYR A 100 125.338 -12.779 6.966 1.00 0.00 C ATOM 1666 CD1 TYR A 100 124.473 -12.544 5.853 1.00 0.00 C ATOM 1667 CD2 TYR A 100 125.581 -14.115 7.414 1.00 0.00 C ATOM 1668 CE1 TYR A 100 123.851 -13.645 5.187 1.00 0.00 C ATOM 1669 CE2 TYR A 100 124.959 -15.215 6.747 1.00 0.00 C ATOM 1670 CZ TYR A 100 124.094 -14.980 5.634 1.00 0.00 C ATOM 1671 OH TYR A 100 123.494 -16.044 4.990 1.00 0.00 O ATOM 0 H TYR A 100 123.995 -10.196 7.261 1.00 0.00 H new ATOM 0 HA TYR A 100 124.985 -11.803 9.596 1.00 0.00 H new ATOM 0 HB2 TYR A 100 126.179 -10.821 6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 100 126.965 -11.932 8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 100 124.289 -11.535 5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 100 126.234 -14.292 8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 100 123.197 -13.468 4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 100 125.143 -16.224 7.084 1.00 0.00 H new ATOM 0 HH TYR A 100 123.766 -16.882 5.419 1.00 0.00 H new ATOM 1681 N HIS A 101 126.253 -8.880 8.737 1.00 0.00 N ATOM 1682 CA HIS A 101 126.987 -7.704 9.296 1.00 0.00 C ATOM 1683 C HIS A 101 126.448 -6.406 8.684 1.00 0.00 C ATOM 1684 O HIS A 101 125.674 -6.443 7.744 1.00 0.00 O ATOM 1685 CB HIS A 101 128.447 -7.920 8.894 1.00 0.00 C ATOM 1686 CG HIS A 101 129.393 -6.925 9.506 1.00 0.00 C ATOM 1687 ND1 HIS A 101 129.777 -5.769 8.847 1.00 0.00 N ATOM 1688 CD2 HIS A 101 130.041 -6.899 10.716 1.00 0.00 C ATOM 1689 CE1 HIS A 101 130.621 -5.101 9.655 1.00 0.00 C ATOM 1690 NE2 HIS A 101 130.817 -5.746 10.808 1.00 0.00 N ATOM 0 H HIS A 101 126.058 -8.822 7.738 1.00 0.00 H new ATOM 0 HA HIS A 101 126.870 -7.619 10.376 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.751 -8.925 9.187 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.528 -7.866 7.808 1.00 0.00 H new ATOM 0 HD1 HIS A 101 129.475 -5.477 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.961 -7.658 11.481 1.00 0.00 H new ATOM 0 HE1 HIS A 101 131.083 -4.158 9.402 1.00 0.00 H new ATOM 1698 N SER A 102 126.856 -5.275 9.217 1.00 0.00 N ATOM 1699 CA SER A 102 126.394 -3.956 8.670 1.00 0.00 C ATOM 1700 C SER A 102 126.988 -3.730 7.277 1.00 0.00 C ATOM 1701 O SER A 102 128.103 -4.142 7.007 1.00 0.00 O ATOM 1702 CB SER A 102 126.897 -2.884 9.642 1.00 0.00 C ATOM 1703 OG SER A 102 126.369 -3.140 10.937 1.00 0.00 O ATOM 0 H SER A 102 127.492 -5.209 10.011 1.00 0.00 H new ATOM 0 HA SER A 102 125.309 -3.923 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.987 -2.888 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.591 -1.895 9.301 1.00 0.00 H new ATOM 0 HG SER A 102 126.690 -2.457 11.562 1.00 0.00 H new ATOM 1709 N SER A 103 126.248 -3.081 6.406 1.00 0.00 N ATOM 1710 CA SER A 103 126.717 -2.858 5.005 1.00 0.00 C ATOM 1711 C SER A 103 126.456 -1.411 4.577 1.00 0.00 C ATOM 1712 O SER A 103 125.720 -0.694 5.233 1.00 0.00 O ATOM 1713 CB SER A 103 125.893 -3.825 4.155 1.00 0.00 C ATOM 1714 OG SER A 103 126.139 -5.156 4.586 1.00 0.00 O ATOM 0 H SER A 103 125.328 -2.693 6.613 1.00 0.00 H new ATOM 0 HA SER A 103 127.788 -3.029 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 103 124.832 -3.592 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.156 -3.717 3.103 1.00 0.00 H new ATOM 0 HG SER A 103 125.611 -5.778 4.044 1.00 0.00 H new ATOM 1720 N GLU A 104 127.058 -0.992 3.487 1.00 0.00 N ATOM 1721 CA GLU A 104 126.816 0.379 2.940 1.00 0.00 C ATOM 1722 C GLU A 104 125.968 0.316 1.663 1.00 0.00 C ATOM 1723 O GLU A 104 126.067 1.193 0.825 1.00 0.00 O ATOM 1724 CB GLU A 104 128.212 0.932 2.626 1.00 0.00 C ATOM 1725 CG GLU A 104 128.770 1.668 3.845 1.00 0.00 C ATOM 1726 CD GLU A 104 130.224 2.065 3.582 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.076 1.192 3.638 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.463 3.235 3.329 1.00 0.00 O ATOM 0 H GLU A 104 127.717 -1.553 2.947 1.00 0.00 H new ATOM 0 HA GLU A 104 126.271 1.006 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.880 0.118 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.160 1.610 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.172 2.555 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.710 1.030 4.727 1.00 0.00 H new ATOM 1735 N ILE A 105 125.147 -0.701 1.515 1.00 0.00 N ATOM 1736 CA ILE A 105 124.282 -0.828 0.297 1.00 0.00 C ATOM 1737 C ILE A 105 122.816 -0.919 0.735 1.00 0.00 C ATOM 1738 O ILE A 105 122.468 -1.742 1.563 1.00 0.00 O ATOM 1739 CB ILE A 105 124.731 -2.122 -0.415 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.240 -2.097 -0.744 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.931 -2.324 -1.712 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.614 -0.907 -1.640 1.00 0.00 C ATOM 0 H ILE A 105 125.040 -1.455 2.194 1.00 0.00 H new ATOM 0 HA ILE A 105 124.375 0.027 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 105 124.541 -2.951 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.812 -2.047 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.518 -3.026 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.259 -3.240 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.869 -2.398 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.097 -1.477 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.684 -0.929 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.062 -0.970 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.361 0.024 -1.133 1.00 0.00 H new ATOM 1754 N ILE A 106 121.970 -0.078 0.182 1.00 0.00 N ATOM 1755 CA ILE A 106 120.506 -0.121 0.506 1.00 0.00 C ATOM 1756 C ILE A 106 119.685 -0.241 -0.782 1.00 0.00 C ATOM 1757 O ILE A 106 120.049 0.320 -1.800 1.00 0.00 O ATOM 1758 CB ILE A 106 120.183 1.188 1.251 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.559 2.419 0.412 1.00 0.00 C ATOM 1760 CG2 ILE A 106 120.955 1.229 2.572 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.914 3.667 1.019 1.00 0.00 C ATOM 0 H ILE A 106 122.236 0.644 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 106 120.258 -0.984 1.124 1.00 0.00 H new ATOM 0 HB ILE A 106 119.109 1.212 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.642 2.535 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.224 2.287 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.726 2.155 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.665 0.379 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.025 1.182 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.181 4.540 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.830 3.550 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.271 3.801 2.040 1.00 0.00 H new ATOM 1773 N GLU A 107 118.591 -0.968 -0.733 1.00 0.00 N ATOM 1774 CA GLU A 107 117.704 -1.113 -1.927 1.00 0.00 C ATOM 1775 C GLU A 107 116.348 -0.457 -1.655 1.00 0.00 C ATOM 1776 O GLU A 107 115.722 -0.721 -0.643 1.00 0.00 O ATOM 1777 CB GLU A 107 117.538 -2.619 -2.131 1.00 0.00 C ATOM 1778 CG GLU A 107 118.722 -3.161 -2.934 1.00 0.00 C ATOM 1779 CD GLU A 107 118.551 -4.667 -3.155 1.00 0.00 C ATOM 1780 OE1 GLU A 107 118.191 -5.350 -2.210 1.00 0.00 O ATOM 1781 OE2 GLU A 107 118.783 -5.110 -4.267 1.00 0.00 O ATOM 0 H GLU A 107 118.274 -1.472 0.095 1.00 0.00 H new ATOM 0 HA GLU A 107 118.124 -0.632 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.479 -3.123 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.605 -2.825 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.788 -2.648 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.654 -2.965 -2.403 1.00 0.00 H new ATOM 1788 N ILE A 108 115.903 0.385 -2.558 1.00 0.00 N ATOM 1789 CA ILE A 108 114.650 1.175 -2.337 1.00 0.00 C ATOM 1790 C ILE A 108 113.585 0.744 -3.355 1.00 0.00 C ATOM 1791 O ILE A 108 113.906 0.324 -4.450 1.00 0.00 O ATOM 1792 CB ILE A 108 115.061 2.649 -2.533 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.098 3.049 -1.478 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.848 3.580 -2.392 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.773 4.359 -1.887 1.00 0.00 C ATOM 0 H ILE A 108 116.362 0.560 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 108 114.218 1.020 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 108 115.480 2.746 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.617 3.165 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.845 2.262 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.164 4.613 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.102 3.322 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.416 3.466 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.509 4.639 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.269 4.228 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.022 5.145 -1.970 1.00 0.00 H new ATOM 1807 N ILE A 109 112.331 0.850 -2.984 1.00 0.00 N ATOM 1808 CA ILE A 109 111.211 0.703 -3.968 1.00 0.00 C ATOM 1809 C ILE A 109 110.437 2.023 -4.067 1.00 0.00 C ATOM 1810 O ILE A 109 110.441 2.808 -3.135 1.00 0.00 O ATOM 1811 CB ILE A 109 110.312 -0.435 -3.452 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.798 -0.149 -2.032 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.100 -1.746 -3.445 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.503 -0.927 -1.788 1.00 0.00 C ATOM 0 H ILE A 109 112.032 1.035 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 109 111.578 0.466 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 109 109.453 -0.512 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.550 -0.436 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.621 0.919 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.463 -2.551 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.432 -1.977 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.968 -1.645 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.140 -0.723 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.751 -0.618 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.694 -1.995 -1.895 1.00 0.00 H new ATOM 1826 N ALA A 110 109.785 2.257 -5.184 1.00 0.00 N ATOM 1827 CA ALA A 110 109.052 3.543 -5.398 1.00 0.00 C ATOM 1828 C ALA A 110 107.755 3.292 -6.186 1.00 0.00 C ATOM 1829 O ALA A 110 107.600 2.223 -6.745 1.00 0.00 O ATOM 1830 CB ALA A 110 110.011 4.429 -6.194 1.00 0.00 C ATOM 0 H ALA A 110 109.731 1.602 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 110 108.762 4.012 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.540 5.392 -6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.926 4.582 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.252 3.945 -7.140 1.00 0.00 H new ATOM 1836 N PRO A 111 106.854 4.265 -6.218 1.00 0.00 N ATOM 1837 CA PRO A 111 105.576 4.114 -6.990 1.00 0.00 C ATOM 1838 C PRO A 111 105.846 3.872 -8.482 1.00 0.00 C ATOM 1839 O PRO A 111 105.088 3.183 -9.143 1.00 0.00 O ATOM 1840 CB PRO A 111 104.877 5.461 -6.781 1.00 0.00 C ATOM 1841 CG PRO A 111 105.444 5.956 -5.498 1.00 0.00 C ATOM 1842 CD PRO A 111 106.894 5.585 -5.554 1.00 0.00 C ATOM 0 HA PRO A 111 104.984 3.261 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.081 6.150 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.795 5.346 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.315 7.034 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.950 5.495 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.478 6.309 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.338 5.527 -4.560 1.00 0.00 H new ATOM 1850 N MET A 112 106.915 4.436 -8.999 1.00 0.00 N ATOM 1851 CA MET A 112 107.259 4.266 -10.445 1.00 0.00 C ATOM 1852 C MET A 112 108.782 4.203 -10.637 1.00 0.00 C ATOM 1853 O MET A 112 109.530 4.632 -9.778 1.00 0.00 O ATOM 1854 CB MET A 112 106.591 5.440 -11.201 1.00 0.00 C ATOM 1855 CG MET A 112 107.340 6.785 -11.094 1.00 0.00 C ATOM 1856 SD MET A 112 107.221 7.480 -9.426 1.00 0.00 S ATOM 1857 CE MET A 112 105.511 8.062 -9.544 1.00 0.00 C ATOM 0 H MET A 112 107.570 5.013 -8.472 1.00 0.00 H new ATOM 0 HA MET A 112 106.885 3.324 -10.845 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.501 5.172 -12.254 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.579 5.572 -10.818 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.388 6.641 -11.355 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.926 7.491 -11.814 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.284 8.701 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.382 8.629 -10.466 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.835 7.207 -9.547 1.00 0.00 H new ATOM 1867 N LYS A 113 109.227 3.673 -11.757 1.00 0.00 N ATOM 1868 CA LYS A 113 110.700 3.543 -12.020 1.00 0.00 C ATOM 1869 C LYS A 113 111.375 4.924 -12.086 1.00 0.00 C ATOM 1870 O LYS A 113 111.227 5.656 -13.050 1.00 0.00 O ATOM 1871 CB LYS A 113 110.849 2.764 -13.341 1.00 0.00 C ATOM 1872 CG LYS A 113 110.205 3.508 -14.518 1.00 0.00 C ATOM 1873 CD LYS A 113 109.954 2.524 -15.663 1.00 0.00 C ATOM 1874 CE LYS A 113 109.599 3.296 -16.936 1.00 0.00 C ATOM 1875 NZ LYS A 113 108.771 2.354 -17.739 1.00 0.00 N ATOM 0 H LYS A 113 108.628 3.323 -12.505 1.00 0.00 H new ATOM 0 HA LYS A 113 111.197 3.009 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 113 111.906 2.601 -13.549 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.389 1.781 -13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 113 109.267 3.965 -14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 113 110.857 4.315 -14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 113 110.841 1.913 -15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 113 109.144 1.844 -15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 113 109.048 4.207 -16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 113 110.495 3.595 -17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 108.488 2.812 -18.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 109.324 1.499 -17.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 107.921 2.092 -17.199 1.00 0.00 H new ATOM 1889 N LEU A 114 112.114 5.275 -11.054 1.00 0.00 N ATOM 1890 CA LEU A 114 112.791 6.618 -10.996 1.00 0.00 C ATOM 1891 C LEU A 114 113.763 6.806 -12.167 1.00 0.00 C ATOM 1892 O LEU A 114 113.928 7.908 -12.659 1.00 0.00 O ATOM 1893 CB LEU A 114 113.567 6.652 -9.674 1.00 0.00 C ATOM 1894 CG LEU A 114 112.589 6.605 -8.497 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.365 6.354 -7.203 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.848 7.940 -8.392 1.00 0.00 C ATOM 0 H LEU A 114 112.279 4.682 -10.241 1.00 0.00 H new ATOM 0 HA LEU A 114 112.053 7.417 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.253 5.807 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.172 7.557 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 114 111.869 5.802 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.671 6.320 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.894 5.404 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.083 7.159 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.152 7.905 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.567 8.744 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.296 8.123 -9.314 1.00 0.00 H new ATOM 1908 N ARG A 115 114.394 5.741 -12.611 1.00 0.00 N ATOM 1909 CA ARG A 115 115.463 5.858 -13.662 1.00 0.00 C ATOM 1910 C ARG A 115 114.889 6.406 -14.970 1.00 0.00 C ATOM 1911 O ARG A 115 115.560 7.146 -15.669 1.00 0.00 O ATOM 1912 CB ARG A 115 116.017 4.448 -13.889 1.00 0.00 C ATOM 1913 CG ARG A 115 116.715 3.958 -12.619 1.00 0.00 C ATOM 1914 CD ARG A 115 117.379 2.605 -12.886 1.00 0.00 C ATOM 1915 NE ARG A 115 116.247 1.650 -13.101 1.00 0.00 N ATOM 1916 CZ ARG A 115 115.555 1.125 -12.108 1.00 0.00 C ATOM 1917 NH1 ARG A 115 115.799 1.396 -10.846 1.00 0.00 N ATOM 1918 NH2 ARG A 115 114.585 0.300 -12.392 1.00 0.00 N ATOM 0 H ARG A 115 114.214 4.790 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 115 116.242 6.546 -13.335 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.208 3.768 -14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.719 4.452 -14.723 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.462 4.684 -12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 115 115.993 3.866 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 115 118.028 2.650 -13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 115 118.000 2.298 -12.044 1.00 0.00 H new ATOM 0 HE ARG A 115 116.000 1.394 -14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 115 116.552 2.038 -10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 115 115.235 0.964 -10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.376 0.074 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 115 114.036 -0.119 -11.642 1.00 0.00 H new ATOM 1932 N GLU A 116 113.666 6.048 -15.289 1.00 0.00 N ATOM 1933 CA GLU A 116 113.016 6.572 -16.530 1.00 0.00 C ATOM 1934 C GLU A 116 112.529 8.001 -16.279 1.00 0.00 C ATOM 1935 O GLU A 116 112.794 8.892 -17.065 1.00 0.00 O ATOM 1936 CB GLU A 116 111.840 5.639 -16.834 1.00 0.00 C ATOM 1937 CG GLU A 116 111.373 5.859 -18.275 1.00 0.00 C ATOM 1938 CD GLU A 116 112.398 5.263 -19.243 1.00 0.00 C ATOM 1939 OE1 GLU A 116 112.259 4.098 -19.578 1.00 0.00 O ATOM 1940 OE2 GLU A 116 113.303 5.982 -19.631 1.00 0.00 O ATOM 0 H GLU A 116 113.089 5.412 -14.739 1.00 0.00 H new ATOM 0 HA GLU A 116 113.707 6.599 -17.373 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.140 4.601 -16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.021 5.832 -16.141 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.400 5.393 -18.428 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.250 6.924 -18.470 1.00 0.00 H new ATOM 1947 N GLN A 117 111.838 8.217 -15.181 1.00 0.00 N ATOM 1948 CA GLN A 117 111.171 9.541 -14.935 1.00 0.00 C ATOM 1949 C GLN A 117 112.203 10.672 -14.847 1.00 0.00 C ATOM 1950 O GLN A 117 111.932 11.785 -15.267 1.00 0.00 O ATOM 1951 CB GLN A 117 110.419 9.409 -13.606 1.00 0.00 C ATOM 1952 CG GLN A 117 109.304 8.369 -13.744 1.00 0.00 C ATOM 1953 CD GLN A 117 108.179 8.932 -14.616 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.725 10.038 -14.402 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.709 8.212 -15.598 1.00 0.00 N ATOM 0 H GLN A 117 111.707 7.529 -14.440 1.00 0.00 H new ATOM 0 HA GLN A 117 110.496 9.788 -15.755 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.108 9.114 -12.815 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.997 10.372 -13.319 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.699 7.455 -14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.917 8.104 -12.760 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.091 7.283 -15.777 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.960 8.578 -16.186 1.00 0.00 H new ATOM 1964 N PHE A 118 113.368 10.390 -14.312 1.00 0.00 N ATOM 1965 CA PHE A 118 114.412 11.449 -14.133 1.00 0.00 C ATOM 1966 C PHE A 118 115.590 11.287 -15.108 1.00 0.00 C ATOM 1967 O PHE A 118 116.584 11.975 -14.971 1.00 0.00 O ATOM 1968 CB PHE A 118 114.892 11.277 -12.691 1.00 0.00 C ATOM 1969 CG PHE A 118 113.855 11.663 -11.662 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.908 10.695 -11.204 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.821 12.995 -11.147 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.928 11.061 -10.230 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.841 13.361 -10.173 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.894 12.394 -9.714 1.00 0.00 C ATOM 0 H PHE A 118 113.642 9.462 -13.989 1.00 0.00 H new ATOM 0 HA PHE A 118 114.002 12.439 -14.335 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.180 10.238 -12.533 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.786 11.882 -12.539 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.933 9.688 -11.594 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.536 13.726 -11.494 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.213 10.330 -9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 118 112.816 14.368 -9.784 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.153 12.670 -8.978 1.00 0.00 H new ATOM 1984 N ASN A 119 115.503 10.397 -16.086 1.00 0.00 N ATOM 1985 CA ASN A 119 116.622 10.176 -17.072 1.00 0.00 C ATOM 1986 C ASN A 119 117.970 9.926 -16.367 1.00 0.00 C ATOM 1987 O ASN A 119 118.972 10.551 -16.678 1.00 0.00 O ATOM 1988 CB ASN A 119 116.667 11.442 -17.941 1.00 0.00 C ATOM 1989 CG ASN A 119 115.381 11.549 -18.763 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.709 12.560 -18.732 1.00 0.00 O ATOM 1991 ND2 ASN A 119 115.009 10.541 -19.504 1.00 0.00 N ATOM 0 H ASN A 119 114.687 9.806 -16.242 1.00 0.00 H new ATOM 0 HA ASN A 119 116.444 9.285 -17.674 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.781 12.324 -17.310 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.532 11.409 -18.604 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.154 10.603 -20.057 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.573 9.692 -19.530 1.00 0.00 H new ATOM 1998 N LEU A 120 117.990 9.012 -15.422 1.00 0.00 N ATOM 1999 CA LEU A 120 119.192 8.829 -14.547 1.00 0.00 C ATOM 2000 C LEU A 120 120.158 7.808 -15.151 1.00 0.00 C ATOM 2001 O LEU A 120 119.742 6.783 -15.661 1.00 0.00 O ATOM 2002 CB LEU A 120 118.658 8.320 -13.206 1.00 0.00 C ATOM 2003 CG LEU A 120 117.818 9.407 -12.534 1.00 0.00 C ATOM 2004 CD1 LEU A 120 116.947 8.777 -11.445 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.743 10.451 -11.905 1.00 0.00 C ATOM 0 H LEU A 120 117.216 8.380 -15.219 1.00 0.00 H new ATOM 0 HA LEU A 120 119.745 9.762 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 120 118.055 7.426 -13.361 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.488 8.037 -12.558 1.00 0.00 H new ATOM 0 HG LEU A 120 117.182 9.886 -13.278 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.348 9.551 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.288 8.032 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.584 8.298 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.145 11.226 -11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.379 9.972 -11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.365 10.900 -12.679 1.00 0.00 H new ATOM 2017 N LYS A 121 121.439 8.094 -15.090 1.00 0.00 N ATOM 2018 CA LYS A 121 122.478 7.120 -15.542 1.00 0.00 C ATOM 2019 C LYS A 121 123.351 6.707 -14.353 1.00 0.00 C ATOM 2020 O LYS A 121 123.443 7.425 -13.373 1.00 0.00 O ATOM 2021 CB LYS A 121 123.311 7.875 -16.579 1.00 0.00 C ATOM 2022 CG LYS A 121 122.460 8.152 -17.820 1.00 0.00 C ATOM 2023 CD LYS A 121 123.326 8.808 -18.897 1.00 0.00 C ATOM 2024 CE LYS A 121 122.451 9.191 -20.093 1.00 0.00 C ATOM 2025 NZ LYS A 121 123.392 9.786 -21.083 1.00 0.00 N ATOM 0 H LYS A 121 121.811 8.977 -14.740 1.00 0.00 H new ATOM 0 HA LYS A 121 122.043 6.211 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.672 8.813 -16.157 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.189 7.289 -16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 121 122.035 7.222 -18.197 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.625 8.804 -17.563 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.817 9.694 -18.494 1.00 0.00 H new ATOM 0 HD3 LYS A 121 124.113 8.123 -19.213 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.943 8.319 -20.506 1.00 0.00 H new ATOM 0 HE3 LYS A 121 121.678 9.904 -19.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.866 10.074 -21.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 123.856 10.617 -20.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 124.112 9.082 -21.344 1.00 0.00 H new ATOM 2039 N ASP A 122 123.993 5.560 -14.438 1.00 0.00 N ATOM 2040 CA ASP A 122 124.851 5.054 -13.306 1.00 0.00 C ATOM 2041 C ASP A 122 125.930 6.075 -12.917 1.00 0.00 C ATOM 2042 O ASP A 122 126.542 6.684 -13.777 1.00 0.00 O ATOM 2043 CB ASP A 122 125.514 3.770 -13.817 1.00 0.00 C ATOM 2044 CG ASP A 122 124.448 2.700 -14.063 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.581 2.548 -13.218 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.515 2.052 -15.095 1.00 0.00 O ATOM 0 H ASP A 122 123.960 4.945 -15.251 1.00 0.00 H new ATOM 0 HA ASP A 122 124.245 4.880 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 122 126.059 3.973 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.242 3.411 -13.089 1.00 0.00 H new ATOM 2051 N GLY A 123 126.153 6.253 -11.635 1.00 0.00 N ATOM 2052 CA GLY A 123 127.153 7.255 -11.154 1.00 0.00 C ATOM 2053 C GLY A 123 126.466 8.546 -10.686 1.00 0.00 C ATOM 2054 O GLY A 123 127.037 9.279 -9.898 1.00 0.00 O ATOM 0 H GLY A 123 125.677 5.739 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.732 6.830 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.856 7.484 -11.955 1.00 0.00 H new ATOM 2058 N ASP A 124 125.264 8.827 -11.153 1.00 0.00 N ATOM 2059 CA ASP A 124 124.551 10.085 -10.735 1.00 0.00 C ATOM 2060 C ASP A 124 124.227 10.032 -9.240 1.00 0.00 C ATOM 2061 O ASP A 124 124.065 8.962 -8.683 1.00 0.00 O ATOM 2062 CB ASP A 124 123.261 10.160 -11.564 1.00 0.00 C ATOM 2063 CG ASP A 124 123.533 10.860 -12.898 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.261 11.840 -12.900 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.003 10.403 -13.897 1.00 0.00 O ATOM 0 H ASP A 124 124.747 8.238 -11.806 1.00 0.00 H new ATOM 0 HA ASP A 124 125.171 10.965 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.876 9.156 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.494 10.702 -11.010 1.00 0.00 H new ATOM 2070 N VAL A 125 124.132 11.176 -8.601 1.00 0.00 N ATOM 2071 CA VAL A 125 123.949 11.219 -7.115 1.00 0.00 C ATOM 2072 C VAL A 125 122.541 11.733 -6.789 1.00 0.00 C ATOM 2073 O VAL A 125 122.087 12.711 -7.355 1.00 0.00 O ATOM 2074 CB VAL A 125 125.035 12.175 -6.579 1.00 0.00 C ATOM 2075 CG1 VAL A 125 124.961 12.265 -5.050 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.430 11.668 -6.960 1.00 0.00 C ATOM 0 H VAL A 125 124.174 12.090 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 125 124.047 10.235 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 125 124.861 13.156 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.734 12.943 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 125 123.981 12.640 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.116 11.276 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.184 12.354 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.587 10.678 -6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.513 11.611 -8.045 1.00 0.00 H new ATOM 2086 N ILE A 126 121.862 11.068 -5.881 1.00 0.00 N ATOM 2087 CA ILE A 126 120.530 11.547 -5.394 1.00 0.00 C ATOM 2088 C ILE A 126 120.528 11.585 -3.862 1.00 0.00 C ATOM 2089 O ILE A 126 121.339 10.929 -3.230 1.00 0.00 O ATOM 2090 CB ILE A 126 119.480 10.556 -5.933 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.780 9.118 -5.481 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.465 10.607 -7.462 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.555 8.237 -5.730 1.00 0.00 C ATOM 0 H ILE A 126 122.182 10.200 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 126 120.307 12.555 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 126 118.508 10.847 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.639 8.726 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.041 9.105 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.722 9.906 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.213 11.616 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.449 10.336 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.769 7.217 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.707 8.625 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.315 8.240 -6.793 1.00 0.00 H new ATOM 2105 N LYS A 127 119.629 12.342 -3.276 1.00 0.00 N ATOM 2106 CA LYS A 127 119.624 12.524 -1.793 1.00 0.00 C ATOM 2107 C LYS A 127 118.419 11.809 -1.176 1.00 0.00 C ATOM 2108 O LYS A 127 117.326 11.870 -1.709 1.00 0.00 O ATOM 2109 CB LYS A 127 119.517 14.035 -1.577 1.00 0.00 C ATOM 2110 CG LYS A 127 120.803 14.714 -2.052 1.00 0.00 C ATOM 2111 CD LYS A 127 120.741 16.208 -1.729 1.00 0.00 C ATOM 2112 CE LYS A 127 121.976 16.907 -2.302 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.873 18.315 -1.830 1.00 0.00 N ATOM 0 H LYS A 127 118.892 12.845 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 127 120.516 12.108 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.661 14.431 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.348 14.251 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.667 14.261 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.929 14.568 -3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.835 16.644 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.694 16.356 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.895 16.438 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 127 121.990 16.855 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.686 18.860 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 120.992 18.737 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 121.869 18.333 -0.790 1.00 0.00 H new ATOM 2127 N ILE A 128 118.620 11.140 -0.064 1.00 0.00 N ATOM 2128 CA ILE A 128 117.488 10.477 0.659 1.00 0.00 C ATOM 2129 C ILE A 128 117.248 11.171 2.005 1.00 0.00 C ATOM 2130 O ILE A 128 118.185 11.509 2.706 1.00 0.00 O ATOM 2131 CB ILE A 128 117.883 9.001 0.843 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.217 8.860 1.596 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.012 8.335 -0.531 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.412 7.407 2.033 1.00 0.00 C ATOM 0 H ILE A 128 119.532 11.024 0.378 1.00 0.00 H new ATOM 0 HA ILE A 128 116.556 10.547 0.098 1.00 0.00 H new ATOM 0 HB ILE A 128 117.105 8.516 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.042 9.171 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.225 9.516 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.292 7.289 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.058 8.394 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.778 8.847 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.358 7.311 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.594 7.112 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.423 6.761 1.155 1.00 0.00 H new ATOM 2146 N LEU A 129 115.998 11.380 2.351 1.00 0.00 N ATOM 2147 CA LEU A 129 115.649 12.084 3.623 1.00 0.00 C ATOM 2148 C LEU A 129 115.040 11.094 4.619 1.00 0.00 C ATOM 2149 O LEU A 129 114.174 10.315 4.264 1.00 0.00 O ATOM 2150 CB LEU A 129 114.624 13.145 3.217 1.00 0.00 C ATOM 2151 CG LEU A 129 114.359 14.096 4.392 1.00 0.00 C ATOM 2152 CD1 LEU A 129 113.897 15.455 3.860 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.269 13.510 5.296 1.00 0.00 C ATOM 0 H LEU A 129 115.195 11.087 1.795 1.00 0.00 H new ATOM 0 HA LEU A 129 116.519 12.526 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 129 114.991 13.708 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.695 12.666 2.910 1.00 0.00 H new ATOM 0 HG LEU A 129 115.278 14.221 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.709 16.128 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.672 15.878 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 129 112.980 15.328 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.084 14.188 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.351 13.381 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.596 12.544 5.680 1.00 0.00 H new