USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=16 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 98 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00379) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 ASN : amide:sc= -0.0408 K(o=0.48,f=-2.7!) USER MOD Set 2.2: A 59 TYR OH : rot -45:sc= 0.448 USER MOD Set 2.3: A 76 LYS NZ :NH3+ 170:sc= 0.0684 (180deg=0) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc=-0.00157 (180deg=-0.173) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.258) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -80:sc= -0.971 USER MOD Single : A 68 ASN : amide:sc= -2.43 K(o=-2.4,f=-7.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 136:sc= 0.449 (180deg=-0.0511) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -114:sc= 0.816 (180deg=-0.374) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=-0.42) 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 -176:sc= -1.93 (180deg=-2.07) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.46) USER MOD Single : A 119 ASN : amide:sc= -0.0392 X(o=-0.039,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 6 119.992 13.582 6.660 1.00 0.00 N ATOM 95 CA ILE A 6 120.111 13.504 5.168 1.00 0.00 C ATOM 96 C ILE A 6 121.390 12.740 4.803 1.00 0.00 C ATOM 97 O ILE A 6 122.455 13.039 5.313 1.00 0.00 O ATOM 98 CB ILE A 6 120.174 14.964 4.669 1.00 0.00 C ATOM 99 CG1 ILE A 6 118.952 15.782 5.138 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.248 15.003 3.135 1.00 0.00 C ATOM 101 CD1 ILE A 6 117.627 15.170 4.659 1.00 0.00 C ATOM 0 HA ILE A 6 119.273 12.978 4.710 1.00 0.00 H new ATOM 0 HB ILE A 6 121.072 15.411 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 6 118.951 15.840 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.035 16.803 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.292 16.039 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.141 14.475 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.364 14.523 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 6 116.796 15.780 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 6 117.614 15.137 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.529 14.159 5.054 1.00 0.00 H new ATOM 113 N ILE A 7 121.277 11.764 3.930 1.00 0.00 N ATOM 114 CA ILE A 7 122.479 11.003 3.458 1.00 0.00 C ATOM 115 C ILE A 7 122.470 10.962 1.923 1.00 0.00 C ATOM 116 O ILE A 7 121.416 10.969 1.314 1.00 0.00 O ATOM 117 CB ILE A 7 122.360 9.589 4.063 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.317 9.665 5.596 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.572 8.737 3.661 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.860 8.322 6.168 1.00 0.00 C ATOM 0 H ILE A 7 120.393 11.460 3.521 1.00 0.00 H new ATOM 0 HA ILE A 7 123.417 11.465 3.768 1.00 0.00 H new ATOM 0 HB ILE A 7 121.442 9.139 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.303 9.920 5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.636 10.456 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.477 7.741 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.617 8.658 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.485 9.206 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.831 8.381 7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.865 8.086 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.558 7.541 5.865 1.00 0.00 H new ATOM 132 N GLU A 8 123.634 10.921 1.315 1.00 0.00 N ATOM 133 CA GLU A 8 123.728 10.888 -0.178 1.00 0.00 C ATOM 134 C GLU A 8 124.118 9.486 -0.655 1.00 0.00 C ATOM 135 O GLU A 8 124.925 8.822 -0.030 1.00 0.00 O ATOM 136 CB GLU A 8 124.823 11.896 -0.530 1.00 0.00 C ATOM 137 CG GLU A 8 124.346 13.312 -0.197 1.00 0.00 C ATOM 138 CD GLU A 8 125.394 14.331 -0.652 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.569 14.091 -0.424 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.003 15.337 -1.222 1.00 0.00 O ATOM 0 H GLU A 8 124.532 10.909 1.798 1.00 0.00 H new ATOM 0 HA GLU A 8 122.779 11.133 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.733 11.668 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.070 11.825 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.394 13.511 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.176 13.406 0.876 1.00 0.00 H new ATOM 147 N GLY A 9 123.547 9.045 -1.755 1.00 0.00 N ATOM 148 CA GLY A 9 123.886 7.703 -2.323 1.00 0.00 C ATOM 149 C GLY A 9 124.054 7.818 -3.839 1.00 0.00 C ATOM 150 O GLY A 9 123.438 8.662 -4.465 1.00 0.00 O ATOM 0 H GLY A 9 122.852 9.568 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.804 7.327 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.099 6.987 -2.087 1.00 0.00 H new ATOM 154 N GLU A 10 124.880 6.976 -4.420 1.00 0.00 N ATOM 155 CA GLU A 10 125.117 7.018 -5.896 1.00 0.00 C ATOM 156 C GLU A 10 124.418 5.840 -6.579 1.00 0.00 C ATOM 157 O GLU A 10 124.397 4.743 -6.049 1.00 0.00 O ATOM 158 CB GLU A 10 126.634 6.912 -6.068 1.00 0.00 C ATOM 159 CG GLU A 10 127.004 7.209 -7.523 1.00 0.00 C ATOM 160 CD GLU A 10 128.503 6.979 -7.726 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.872 5.866 -8.060 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.256 7.921 -7.543 1.00 0.00 O ATOM 0 H GLU A 10 125.405 6.254 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 10 124.722 7.929 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.136 7.615 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.973 5.914 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.433 6.566 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.746 8.238 -7.772 1.00 0.00 H new ATOM 169 N VAL A 11 123.853 6.069 -7.744 1.00 0.00 N ATOM 170 CA VAL A 11 123.158 4.976 -8.512 1.00 0.00 C ATOM 171 C VAL A 11 124.170 3.886 -8.896 1.00 0.00 C ATOM 172 O VAL A 11 125.164 4.171 -9.539 1.00 0.00 O ATOM 173 CB VAL A 11 122.572 5.623 -9.787 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.741 4.595 -10.566 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.664 6.808 -9.431 1.00 0.00 C ATOM 0 H VAL A 11 123.843 6.980 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 11 122.373 4.515 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 11 123.406 5.973 -10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.333 5.061 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.375 3.755 -10.850 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.924 4.237 -9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.264 7.247 -10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.842 6.461 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.241 7.559 -8.890 1.00 0.00 H new ATOM 185 N VAL A 12 123.914 2.659 -8.506 1.00 0.00 N ATOM 186 CA VAL A 12 124.808 1.518 -8.886 1.00 0.00 C ATOM 187 C VAL A 12 124.002 0.433 -9.613 1.00 0.00 C ATOM 188 O VAL A 12 122.798 0.348 -9.450 1.00 0.00 O ATOM 189 CB VAL A 12 125.413 0.977 -7.577 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.283 2.057 -6.929 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.319 0.555 -6.584 1.00 0.00 C ATOM 0 H VAL A 12 123.112 2.397 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 12 125.596 1.839 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 12 126.014 0.101 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.710 1.673 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.086 2.335 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.673 2.933 -6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 12 124.781 0.178 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.693 1.415 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.705 -0.228 -7.030 1.00 0.00 H new ATOM 201 N SER A 13 124.666 -0.381 -10.401 1.00 0.00 N ATOM 202 CA SER A 13 123.959 -1.448 -11.181 1.00 0.00 C ATOM 203 C SER A 13 123.794 -2.709 -10.327 1.00 0.00 C ATOM 204 O SER A 13 124.737 -3.159 -9.700 1.00 0.00 O ATOM 205 CB SER A 13 124.850 -1.738 -12.391 1.00 0.00 C ATOM 206 OG SER A 13 124.196 -2.669 -13.243 1.00 0.00 O ATOM 0 H SER A 13 125.676 -0.351 -10.538 1.00 0.00 H new ATOM 0 HA SER A 13 122.961 -1.131 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 13 125.059 -0.816 -12.933 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.809 -2.139 -12.063 1.00 0.00 H new ATOM 0 HG SER A 13 124.763 -2.856 -14.020 1.00 0.00 H new ATOM 486 N PHE A 31 103.298 -4.846 0.834 1.00 0.00 N ATOM 487 CA PHE A 31 103.853 -3.485 0.528 1.00 0.00 C ATOM 488 C PHE A 31 102.760 -2.419 0.666 1.00 0.00 C ATOM 489 O PHE A 31 102.988 -1.379 1.256 1.00 0.00 O ATOM 490 CB PHE A 31 104.378 -3.547 -0.914 1.00 0.00 C ATOM 491 CG PHE A 31 105.826 -3.971 -1.020 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.821 -3.346 -0.204 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.203 -4.997 -1.942 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.188 -3.747 -0.309 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.570 -5.399 -2.046 1.00 0.00 C ATOM 496 CZ PHE A 31 108.563 -4.775 -1.229 1.00 0.00 C ATOM 0 HA PHE A 31 104.649 -3.215 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.763 -4.243 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.262 -2.566 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.538 -2.570 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.454 -5.469 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.938 -3.273 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.853 -6.175 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.596 -5.080 -1.307 1.00 0.00 H new ATOM 506 N LYS A 32 101.589 -2.677 0.129 1.00 0.00 N ATOM 507 CA LYS A 32 100.461 -1.690 0.222 1.00 0.00 C ATOM 508 C LYS A 32 100.008 -1.516 1.676 1.00 0.00 C ATOM 509 O LYS A 32 99.557 -0.450 2.054 1.00 0.00 O ATOM 510 CB LYS A 32 99.319 -2.257 -0.628 1.00 0.00 C ATOM 511 CG LYS A 32 98.237 -1.189 -0.811 1.00 0.00 C ATOM 512 CD LYS A 32 97.094 -1.758 -1.655 1.00 0.00 C ATOM 513 CE LYS A 32 96.058 -0.663 -1.917 1.00 0.00 C ATOM 514 NZ LYS A 32 95.358 -1.087 -3.161 1.00 0.00 N ATOM 0 H LYS A 32 101.364 -3.536 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 32 100.772 -0.708 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.698 -2.575 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.896 -3.139 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.861 -0.868 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.658 -0.309 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.481 -2.141 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.629 -2.597 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.361 -0.571 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.534 0.309 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.631 -0.385 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 96.045 -1.160 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.909 -2.012 -3.008 1.00 0.00 H new ATOM 528 N LYS A 33 100.123 -2.552 2.476 1.00 0.00 N ATOM 529 CA LYS A 33 99.754 -2.444 3.927 1.00 0.00 C ATOM 530 C LYS A 33 100.748 -1.546 4.670 1.00 0.00 C ATOM 531 O LYS A 33 100.349 -0.756 5.509 1.00 0.00 O ATOM 532 CB LYS A 33 99.791 -3.868 4.491 1.00 0.00 C ATOM 533 CG LYS A 33 99.174 -3.884 5.891 1.00 0.00 C ATOM 534 CD LYS A 33 99.275 -5.293 6.479 1.00 0.00 C ATOM 535 CE LYS A 33 98.522 -5.347 7.810 1.00 0.00 C ATOM 536 NZ LYS A 33 99.426 -4.683 8.790 1.00 0.00 N ATOM 0 H LYS A 33 100.458 -3.471 2.186 1.00 0.00 H new ATOM 0 HA LYS A 33 98.767 -1.998 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.244 -4.544 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.819 -4.227 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.690 -3.172 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 33 98.131 -3.573 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.856 -6.020 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 33 100.321 -5.561 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 33 97.564 -4.831 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 33 98.310 -6.375 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 99.737 -5.376 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 100.256 -4.301 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 98.918 -3.908 9.261 1.00 0.00 H new ATOM 550 N ILE A 34 102.021 -1.663 4.367 1.00 0.00 N ATOM 551 CA ILE A 34 103.066 -0.887 5.116 1.00 0.00 C ATOM 552 C ILE A 34 103.145 0.540 4.556 1.00 0.00 C ATOM 553 O ILE A 34 103.342 1.483 5.301 1.00 0.00 O ATOM 554 CB ILE A 34 104.400 -1.636 4.924 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.290 -3.085 5.418 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.513 -0.946 5.724 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.466 -3.898 4.874 1.00 0.00 C ATOM 0 H ILE A 34 102.384 -2.266 3.629 1.00 0.00 H new ATOM 0 HA ILE A 34 102.829 -0.809 6.177 1.00 0.00 H new ATOM 0 HB ILE A 34 104.633 -1.626 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.289 -3.110 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.348 -3.523 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.451 -1.483 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.627 0.081 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.253 -0.945 6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.389 -4.927 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.446 -3.883 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.402 -3.464 5.226 1.00 0.00 H new ATOM 569 N LEU A 35 102.992 0.691 3.260 1.00 0.00 N ATOM 570 CA LEU A 35 103.179 2.025 2.608 1.00 0.00 C ATOM 571 C LEU A 35 101.838 2.671 2.246 1.00 0.00 C ATOM 572 O LEU A 35 101.745 3.885 2.168 1.00 0.00 O ATOM 573 CB LEU A 35 103.965 1.735 1.329 1.00 0.00 C ATOM 574 CG LEU A 35 105.365 1.222 1.671 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.965 0.545 0.438 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.251 2.398 2.090 1.00 0.00 C ATOM 0 H LEU A 35 102.743 -0.064 2.621 1.00 0.00 H new ATOM 0 HA LEU A 35 103.690 2.717 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.436 0.995 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.039 2.640 0.726 1.00 0.00 H new ATOM 0 HG LEU A 35 105.304 0.506 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.963 0.177 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.332 -0.290 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.028 1.265 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.249 2.033 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.317 3.114 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.819 2.885 2.964 1.00 0.00 H new ATOM 588 N GLY A 36 100.812 1.878 2.032 1.00 0.00 N ATOM 589 CA GLY A 36 99.515 2.413 1.516 1.00 0.00 C ATOM 590 C GLY A 36 99.534 2.553 -0.015 1.00 0.00 C ATOM 591 O GLY A 36 98.675 3.223 -0.564 1.00 0.00 O ATOM 0 H GLY A 36 100.822 0.871 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.703 1.749 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.314 3.384 1.969 1.00 0.00 H new ATOM 595 N PHE A 37 100.484 1.949 -0.706 1.00 0.00 N ATOM 596 CA PHE A 37 100.419 1.880 -2.200 1.00 0.00 C ATOM 597 C PHE A 37 101.144 0.633 -2.718 1.00 0.00 C ATOM 598 O PHE A 37 101.927 0.030 -2.004 1.00 0.00 O ATOM 599 CB PHE A 37 101.084 3.167 -2.707 1.00 0.00 C ATOM 600 CG PHE A 37 102.555 3.313 -2.371 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.529 2.524 -3.060 1.00 0.00 C ATOM 602 CD2 PHE A 37 102.972 4.253 -1.379 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.917 2.674 -2.757 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.361 4.402 -1.073 1.00 0.00 C ATOM 605 CZ PHE A 37 105.333 3.612 -1.763 1.00 0.00 C ATOM 0 H PHE A 37 101.302 1.501 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 37 99.392 1.803 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 37 100.970 3.213 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.547 4.021 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.215 1.814 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.238 4.851 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.651 2.079 -3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.676 5.111 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.382 3.725 -1.533 1.00 0.00 H new ATOM 615 N GLU A 38 100.885 0.258 -3.949 1.00 0.00 N ATOM 616 CA GLU A 38 101.582 -0.913 -4.567 1.00 0.00 C ATOM 617 C GLU A 38 102.806 -0.430 -5.366 1.00 0.00 C ATOM 618 O GLU A 38 102.621 0.175 -6.406 1.00 0.00 O ATOM 619 CB GLU A 38 100.552 -1.548 -5.504 1.00 0.00 C ATOM 620 CG GLU A 38 99.474 -2.252 -4.677 1.00 0.00 C ATOM 621 CD GLU A 38 98.741 -3.270 -5.554 1.00 0.00 C ATOM 622 OE1 GLU A 38 98.313 -2.893 -6.632 1.00 0.00 O ATOM 623 OE2 GLU A 38 98.620 -4.407 -5.131 1.00 0.00 O ATOM 0 H GLU A 38 100.211 0.721 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 38 101.940 -1.622 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.099 -0.784 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 38 101.040 -2.262 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.926 -2.753 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 38 98.768 -1.521 -4.282 1.00 0.00 H new ATOM 630 N PRO A 39 104.013 -0.696 -4.885 1.00 0.00 N ATOM 631 CA PRO A 39 105.237 -0.198 -5.585 1.00 0.00 C ATOM 632 C PRO A 39 105.402 -0.896 -6.939 1.00 0.00 C ATOM 633 O PRO A 39 104.848 -1.959 -7.156 1.00 0.00 O ATOM 634 CB PRO A 39 106.368 -0.578 -4.630 1.00 0.00 C ATOM 635 CG PRO A 39 105.836 -1.772 -3.920 1.00 0.00 C ATOM 636 CD PRO A 39 104.388 -1.467 -3.679 1.00 0.00 C ATOM 0 HA PRO A 39 105.207 0.870 -5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.288 -0.808 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.598 0.232 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.955 -2.674 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.365 -1.942 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.794 -2.375 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.242 -0.888 -2.767 1.00 0.00 H new ATOM 644 N TYR A 40 106.157 -0.301 -7.836 1.00 0.00 N ATOM 645 CA TYR A 40 106.364 -0.902 -9.194 1.00 0.00 C ATOM 646 C TYR A 40 107.304 -2.106 -9.093 1.00 0.00 C ATOM 647 O TYR A 40 108.005 -2.259 -8.107 1.00 0.00 O ATOM 648 CB TYR A 40 107.004 0.190 -10.056 1.00 0.00 C ATOM 649 CG TYR A 40 107.152 -0.198 -11.508 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.343 -0.850 -11.955 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.101 0.085 -12.435 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.484 -1.218 -13.328 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.242 -0.283 -13.809 1.00 0.00 C ATOM 654 CZ TYR A 40 107.433 -0.934 -14.256 1.00 0.00 C ATOM 655 OH TYR A 40 107.570 -1.290 -15.582 1.00 0.00 O ATOM 0 H TYR A 40 106.642 0.583 -7.683 1.00 0.00 H new ATOM 0 HA TYR A 40 105.424 -1.246 -9.624 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.400 1.095 -9.990 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.986 0.432 -9.651 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.136 -1.064 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.201 0.577 -12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.384 -1.711 -13.665 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.448 -0.069 -14.509 1.00 0.00 H new ATOM 0 HH TYR A 40 106.766 -1.026 -16.076 1.00 0.00 H new ATOM 665 N GLU A 41 107.321 -2.947 -10.104 1.00 0.00 N ATOM 666 CA GLU A 41 108.222 -4.143 -10.083 1.00 0.00 C ATOM 667 C GLU A 41 109.648 -3.725 -10.474 1.00 0.00 C ATOM 668 O GLU A 41 110.078 -3.905 -11.602 1.00 0.00 O ATOM 669 CB GLU A 41 107.634 -5.125 -11.106 1.00 0.00 C ATOM 670 CG GLU A 41 106.272 -5.623 -10.615 1.00 0.00 C ATOM 671 CD GLU A 41 105.723 -6.665 -11.591 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.484 -7.525 -12.003 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.547 -6.587 -11.909 1.00 0.00 O ATOM 0 H GLU A 41 106.748 -2.855 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 41 108.282 -4.599 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.526 -4.636 -12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.311 -5.967 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.370 -6.058 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.577 -4.788 -10.531 1.00 0.00 H new ATOM 680 N GLY A 42 110.370 -3.159 -9.532 1.00 0.00 N ATOM 681 CA GLY A 42 111.804 -2.803 -9.757 1.00 0.00 C ATOM 682 C GLY A 42 112.382 -2.198 -8.474 1.00 0.00 C ATOM 683 O GLY A 42 111.653 -1.954 -7.528 1.00 0.00 O ATOM 0 H GLY A 42 110.017 -2.927 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.370 -3.690 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.890 -2.092 -10.579 1.00 0.00 H new ATOM 687 N THR A 43 113.674 -1.963 -8.445 1.00 0.00 N ATOM 688 CA THR A 43 114.319 -1.350 -7.240 1.00 0.00 C ATOM 689 C THR A 43 115.348 -0.294 -7.652 1.00 0.00 C ATOM 690 O THR A 43 115.853 -0.309 -8.760 1.00 0.00 O ATOM 691 CB THR A 43 115.011 -2.494 -6.487 1.00 0.00 C ATOM 692 OG1 THR A 43 115.593 -3.412 -7.404 1.00 0.00 O ATOM 693 CG2 THR A 43 113.993 -3.218 -5.605 1.00 0.00 C ATOM 0 H THR A 43 114.314 -2.172 -9.212 1.00 0.00 H new ATOM 0 HA THR A 43 113.577 -0.852 -6.616 1.00 0.00 H new ATOM 0 HB THR A 43 115.801 -2.077 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.032 -4.135 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.487 -4.030 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.570 -2.516 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.196 -3.625 -6.228 1.00 0.00 H new ATOM 701 N LEU A 44 115.647 0.614 -6.753 1.00 0.00 N ATOM 702 CA LEU A 44 116.786 1.557 -6.946 1.00 0.00 C ATOM 703 C LEU A 44 117.898 1.184 -5.964 1.00 0.00 C ATOM 704 O LEU A 44 117.716 1.285 -4.763 1.00 0.00 O ATOM 705 CB LEU A 44 116.209 2.941 -6.625 1.00 0.00 C ATOM 706 CG LEU A 44 117.262 4.028 -6.867 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.508 4.183 -8.368 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.761 5.357 -6.296 1.00 0.00 C ATOM 0 H LEU A 44 115.138 0.740 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 44 117.209 1.530 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.333 3.130 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.877 2.972 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 44 118.193 3.744 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.257 4.957 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.864 3.238 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.578 4.465 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.509 6.131 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.830 5.637 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.587 5.251 -5.225 1.00 0.00 H new ATOM 720 N ASN A 45 119.031 0.754 -6.470 1.00 0.00 N ATOM 721 CA ASN A 45 120.150 0.317 -5.583 1.00 0.00 C ATOM 722 C ASN A 45 121.165 1.450 -5.427 1.00 0.00 C ATOM 723 O ASN A 45 121.735 1.906 -6.402 1.00 0.00 O ATOM 724 CB ASN A 45 120.787 -0.876 -6.298 1.00 0.00 C ATOM 725 CG ASN A 45 119.916 -2.119 -6.102 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.754 -2.124 -6.456 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.433 -3.180 -5.547 1.00 0.00 N ATOM 0 H ASN A 45 119.227 0.688 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 45 119.805 0.053 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.895 -0.660 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.788 -1.056 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.862 -4.014 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.409 -3.176 -5.250 1.00 0.00 H new ATOM 734 N LEU A 46 121.386 1.898 -4.211 1.00 0.00 N ATOM 735 CA LEU A 46 122.325 3.036 -3.965 1.00 0.00 C ATOM 736 C LEU A 46 123.471 2.602 -3.049 1.00 0.00 C ATOM 737 O LEU A 46 123.254 1.928 -2.058 1.00 0.00 O ATOM 738 CB LEU A 46 121.481 4.121 -3.293 1.00 0.00 C ATOM 739 CG LEU A 46 120.568 4.778 -4.331 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.529 5.646 -3.619 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.404 5.657 -5.266 1.00 0.00 C ATOM 0 H LEU A 46 120.949 1.517 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 46 122.780 3.391 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.884 3.687 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.129 4.870 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 46 120.065 4.004 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.878 6.114 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.932 5.025 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.035 6.418 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.753 6.124 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.907 6.430 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.148 5.043 -5.774 1.00 0.00 H new ATOM 753 N LYS A 47 124.679 2.991 -3.391 1.00 0.00 N ATOM 754 CA LYS A 47 125.852 2.754 -2.496 1.00 0.00 C ATOM 755 C LYS A 47 126.108 4.010 -1.660 1.00 0.00 C ATOM 756 O LYS A 47 126.124 5.108 -2.189 1.00 0.00 O ATOM 757 CB LYS A 47 127.028 2.482 -3.441 1.00 0.00 C ATOM 758 CG LYS A 47 128.257 2.056 -2.635 1.00 0.00 C ATOM 759 CD LYS A 47 129.470 1.974 -3.564 1.00 0.00 C ATOM 760 CE LYS A 47 130.669 1.419 -2.793 1.00 0.00 C ATOM 761 NZ LYS A 47 130.475 -0.058 -2.793 1.00 0.00 N ATOM 0 H LYS A 47 124.901 3.469 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 47 125.698 1.926 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.761 1.701 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.255 3.377 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.446 2.771 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.080 1.089 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.245 1.334 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.705 2.962 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 131.608 1.694 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 47 130.702 1.813 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 130.658 -0.432 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 129.498 -0.280 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.134 -0.495 -3.468 1.00 0.00 H new ATOM 775 N LEU A 48 126.302 3.846 -0.372 1.00 0.00 N ATOM 776 CA LEU A 48 126.489 5.016 0.540 1.00 0.00 C ATOM 777 C LEU A 48 127.922 5.053 1.073 1.00 0.00 C ATOM 778 O LEU A 48 128.619 4.055 1.050 1.00 0.00 O ATOM 779 CB LEU A 48 125.511 4.800 1.696 1.00 0.00 C ATOM 780 CG LEU A 48 124.068 4.869 1.190 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.123 4.384 2.292 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.721 6.314 0.826 1.00 0.00 C ATOM 0 H LEU A 48 126.339 2.937 0.090 1.00 0.00 H new ATOM 0 HA LEU A 48 126.308 5.958 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.695 3.831 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.671 5.557 2.463 1.00 0.00 H new ATOM 0 HG LEU A 48 123.961 4.237 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.094 4.432 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.369 3.355 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.232 5.019 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.693 6.362 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.826 6.947 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.396 6.665 0.045 1.00 0.00 H new ATOM 794 N ASP A 49 128.350 6.202 1.546 1.00 0.00 N ATOM 795 CA ASP A 49 129.677 6.306 2.237 1.00 0.00 C ATOM 796 C ASP A 49 129.558 6.042 3.750 1.00 0.00 C ATOM 797 O ASP A 49 130.491 6.315 4.485 1.00 0.00 O ATOM 798 CB ASP A 49 130.185 7.732 1.958 1.00 0.00 C ATOM 799 CG ASP A 49 129.232 8.795 2.521 1.00 0.00 C ATOM 800 OD1 ASP A 49 128.068 8.775 2.154 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.684 9.609 3.309 1.00 0.00 O ATOM 0 H ASP A 49 127.832 7.079 1.482 1.00 0.00 H new ATOM 0 HA ASP A 49 130.371 5.553 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.173 7.859 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.295 7.875 0.883 1.00 0.00 H new ATOM 806 N ARG A 50 128.439 5.520 4.215 1.00 0.00 N ATOM 807 CA ARG A 50 128.243 5.270 5.675 1.00 0.00 C ATOM 808 C ARG A 50 127.394 4.010 5.868 1.00 0.00 C ATOM 809 O ARG A 50 126.471 3.769 5.110 1.00 0.00 O ATOM 810 CB ARG A 50 127.495 6.497 6.203 1.00 0.00 C ATOM 811 CG ARG A 50 128.390 7.736 6.113 1.00 0.00 C ATOM 812 CD ARG A 50 127.690 8.917 6.796 1.00 0.00 C ATOM 813 NE ARG A 50 128.549 10.117 6.525 1.00 0.00 N ATOM 814 CZ ARG A 50 128.075 11.348 6.522 1.00 0.00 C ATOM 815 NH1 ARG A 50 126.819 11.634 6.782 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.895 12.329 6.261 1.00 0.00 N ATOM 0 H ARG A 50 127.646 5.255 3.630 1.00 0.00 H new ATOM 0 HA ARG A 50 129.187 5.119 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.584 6.654 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.192 6.331 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.350 7.541 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.597 7.975 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.685 9.058 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.588 8.744 7.867 1.00 0.00 H new ATOM 0 HE ARG A 50 129.541 9.975 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 50 126.160 10.886 6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 50 126.503 12.604 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.877 12.135 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 50 128.554 13.290 6.252 1.00 0.00 H new ATOM 830 N GLU A 51 127.704 3.216 6.871 1.00 0.00 N ATOM 831 CA GLU A 51 126.905 1.974 7.150 1.00 0.00 C ATOM 832 C GLU A 51 125.470 2.339 7.547 1.00 0.00 C ATOM 833 O GLU A 51 125.243 3.364 8.168 1.00 0.00 O ATOM 834 CB GLU A 51 127.606 1.264 8.314 1.00 0.00 C ATOM 835 CG GLU A 51 128.993 0.796 7.869 1.00 0.00 C ATOM 836 CD GLU A 51 129.653 -0.010 8.991 1.00 0.00 C ATOM 837 OE1 GLU A 51 129.567 0.414 10.133 1.00 0.00 O ATOM 838 OE2 GLU A 51 130.233 -1.041 8.690 1.00 0.00 O ATOM 0 H GLU A 51 128.481 3.376 7.512 1.00 0.00 H new ATOM 0 HA GLU A 51 126.849 1.337 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.695 1.939 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 51 127.012 0.412 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.910 0.185 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 51 129.612 1.656 7.614 1.00 0.00 H new ATOM 845 N PHE A 52 124.516 1.509 7.190 1.00 0.00 N ATOM 846 CA PHE A 52 123.086 1.787 7.522 1.00 0.00 C ATOM 847 C PHE A 52 122.420 0.544 8.121 1.00 0.00 C ATOM 848 O PHE A 52 122.614 -0.558 7.639 1.00 0.00 O ATOM 849 CB PHE A 52 122.430 2.159 6.190 1.00 0.00 C ATOM 850 CG PHE A 52 120.982 2.571 6.328 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.651 3.922 6.654 1.00 0.00 C ATOM 852 CD2 PHE A 52 119.946 1.605 6.138 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.281 4.309 6.790 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.576 1.992 6.273 1.00 0.00 C ATOM 855 CZ PHE A 52 118.245 3.343 6.599 1.00 0.00 C ATOM 0 H PHE A 52 124.673 0.642 6.677 1.00 0.00 H new ATOM 0 HA PHE A 52 122.987 2.582 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.990 2.975 5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.495 1.308 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.435 4.651 6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.198 0.584 5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 52 119.030 5.330 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.792 1.263 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.210 3.635 6.701 1.00 0.00 H new ATOM 865 N ASP A 53 121.646 0.729 9.166 1.00 0.00 N ATOM 866 CA ASP A 53 120.864 -0.395 9.766 1.00 0.00 C ATOM 867 C ASP A 53 119.456 0.088 10.126 1.00 0.00 C ATOM 868 O ASP A 53 119.304 1.072 10.829 1.00 0.00 O ATOM 869 CB ASP A 53 121.640 -0.791 11.023 1.00 0.00 C ATOM 870 CG ASP A 53 121.091 -2.109 11.575 1.00 0.00 C ATOM 871 OD1 ASP A 53 120.859 -3.011 10.787 1.00 0.00 O ATOM 872 OD2 ASP A 53 120.913 -2.194 12.779 1.00 0.00 O ATOM 0 H ASP A 53 121.523 1.627 9.634 1.00 0.00 H new ATOM 0 HA ASP A 53 120.748 -1.237 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.699 -0.897 10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.556 -0.007 11.776 1.00 0.00 H new ATOM 877 N ILE A 54 118.441 -0.599 9.651 1.00 0.00 N ATOM 878 CA ILE A 54 117.025 -0.170 9.915 1.00 0.00 C ATOM 879 C ILE A 54 116.693 -0.241 11.418 1.00 0.00 C ATOM 880 O ILE A 54 115.796 0.447 11.875 1.00 0.00 O ATOM 881 CB ILE A 54 116.129 -1.099 9.070 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.661 -0.675 9.204 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.285 -2.561 9.510 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.844 -1.243 8.043 1.00 0.00 C ATOM 0 H ILE A 54 118.533 -1.444 9.088 1.00 0.00 H new ATOM 0 HA ILE A 54 116.862 0.871 9.634 1.00 0.00 H new ATOM 0 HB ILE A 54 116.439 -1.015 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.257 -1.030 10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.587 0.412 9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.643 -3.195 8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.323 -2.869 9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.000 -2.658 10.558 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.803 -0.937 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.241 -0.866 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.905 -2.331 8.053 1.00 0.00 H new ATOM 896 N ASN A 55 117.398 -1.057 12.174 1.00 0.00 N ATOM 897 CA ASN A 55 117.110 -1.189 13.642 1.00 0.00 C ATOM 898 C ASN A 55 117.596 0.033 14.440 1.00 0.00 C ATOM 899 O ASN A 55 117.416 0.075 15.645 1.00 0.00 O ATOM 900 CB ASN A 55 117.843 -2.449 14.112 1.00 0.00 C ATOM 901 CG ASN A 55 117.238 -3.680 13.434 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.037 -3.769 13.270 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.024 -4.639 13.027 1.00 0.00 N ATOM 0 H ASN A 55 118.164 -1.639 11.834 1.00 0.00 H new ATOM 0 HA ASN A 55 116.035 -1.254 13.808 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.904 -2.375 13.873 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.766 -2.544 15.195 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.630 -5.462 12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.032 -4.565 13.164 1.00 0.00 H new ATOM 910 N LYS A 56 118.202 1.012 13.799 1.00 0.00 N ATOM 911 CA LYS A 56 118.487 2.318 14.477 1.00 0.00 C ATOM 912 C LYS A 56 117.338 3.321 14.271 1.00 0.00 C ATOM 913 O LYS A 56 117.282 4.325 14.960 1.00 0.00 O ATOM 914 CB LYS A 56 119.778 2.841 13.843 1.00 0.00 C ATOM 915 CG LYS A 56 120.943 1.925 14.225 1.00 0.00 C ATOM 916 CD LYS A 56 122.252 2.512 13.692 1.00 0.00 C ATOM 917 CE LYS A 56 123.400 1.542 13.976 1.00 0.00 C ATOM 918 NZ LYS A 56 124.604 2.185 13.379 1.00 0.00 N ATOM 0 H LYS A 56 118.512 0.958 12.829 1.00 0.00 H new ATOM 0 HA LYS A 56 118.587 2.187 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.673 2.880 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.975 3.858 14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.995 1.818 15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.785 0.928 13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.172 2.693 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.450 3.474 14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.527 1.384 15.047 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.212 0.566 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 125.434 1.578 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.457 2.317 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.763 3.109 13.828 1.00 0.00 H new ATOM 932 N PHE A 57 116.437 3.067 13.343 1.00 0.00 N ATOM 933 CA PHE A 57 115.231 3.939 13.172 1.00 0.00 C ATOM 934 C PHE A 57 113.969 3.130 13.480 1.00 0.00 C ATOM 935 O PHE A 57 114.045 1.937 13.720 1.00 0.00 O ATOM 936 CB PHE A 57 115.231 4.387 11.705 1.00 0.00 C ATOM 937 CG PHE A 57 116.506 5.069 11.261 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.646 6.487 11.392 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.574 4.294 10.713 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.854 7.127 10.975 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.781 4.934 10.295 1.00 0.00 C ATOM 942 CZ PHE A 57 118.922 6.351 10.427 1.00 0.00 C ATOM 0 H PHE A 57 116.490 2.283 12.692 1.00 0.00 H new ATOM 0 HA PHE A 57 115.252 4.797 13.844 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.059 3.517 11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.395 5.067 11.545 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.839 7.073 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.469 3.224 10.615 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.960 8.197 11.074 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.587 4.348 9.879 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.835 6.835 10.113 1.00 0.00 H new ATOM 952 N LYS A 58 112.823 3.773 13.474 1.00 0.00 N ATOM 953 CA LYS A 58 111.545 3.076 13.826 1.00 0.00 C ATOM 954 C LYS A 58 110.884 2.515 12.564 1.00 0.00 C ATOM 955 O LYS A 58 110.277 3.249 11.803 1.00 0.00 O ATOM 956 CB LYS A 58 110.659 4.143 14.472 1.00 0.00 C ATOM 957 CG LYS A 58 111.268 4.575 15.809 1.00 0.00 C ATOM 958 CD LYS A 58 110.327 5.562 16.504 1.00 0.00 C ATOM 959 CE LYS A 58 110.993 6.091 17.776 1.00 0.00 C ATOM 960 NZ LYS A 58 110.046 7.110 18.310 1.00 0.00 N ATOM 0 H LYS A 58 112.719 4.760 13.238 1.00 0.00 H new ATOM 0 HA LYS A 58 111.711 2.235 14.499 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.565 5.003 13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.654 3.750 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.432 3.704 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.241 5.038 15.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.090 6.388 15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.385 5.071 16.751 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.160 5.291 18.497 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.966 6.532 17.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.433 7.519 19.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.912 7.863 17.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.131 6.660 18.514 1.00 0.00 H new ATOM 974 N TYR A 59 111.003 1.224 12.350 1.00 0.00 N ATOM 975 CA TYR A 59 110.420 0.576 11.135 1.00 0.00 C ATOM 976 C TYR A 59 109.233 -0.320 11.519 1.00 0.00 C ATOM 977 O TYR A 59 108.906 -0.448 12.686 1.00 0.00 O ATOM 978 CB TYR A 59 111.578 -0.233 10.526 1.00 0.00 C ATOM 979 CG TYR A 59 112.044 -1.411 11.359 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.041 -1.232 12.369 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.480 -2.705 11.137 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.471 -2.346 13.156 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.910 -3.819 11.923 1.00 0.00 C ATOM 984 CZ TYR A 59 112.905 -3.639 12.932 1.00 0.00 C ATOM 985 OH TYR A 59 113.320 -4.715 13.691 1.00 0.00 O ATOM 0 H TYR A 59 111.488 0.584 12.979 1.00 0.00 H new ATOM 0 HA TYR A 59 110.024 1.299 10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.270 -0.599 9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.423 0.436 10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.469 -0.255 12.537 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.728 -2.842 10.374 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.223 -2.210 13.919 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.483 -4.796 11.754 1.00 0.00 H new ATOM 0 HH TYR A 59 114.297 -4.707 13.763 1.00 0.00 H new ATOM 995 N ILE A 60 108.602 -0.928 10.542 1.00 0.00 N ATOM 996 CA ILE A 60 107.512 -1.917 10.815 1.00 0.00 C ATOM 997 C ILE A 60 108.003 -3.306 10.390 1.00 0.00 C ATOM 998 O ILE A 60 108.526 -3.467 9.301 1.00 0.00 O ATOM 999 CB ILE A 60 106.305 -1.463 9.971 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.871 -0.047 10.374 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.117 -2.409 10.189 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.934 0.527 9.309 1.00 0.00 C ATOM 0 H ILE A 60 108.800 -0.778 9.553 1.00 0.00 H new ATOM 0 HA ILE A 60 107.235 -1.969 11.868 1.00 0.00 H new ATOM 0 HB ILE A 60 106.606 -1.476 8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.367 -0.072 11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.746 0.594 10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.272 -2.076 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.398 -3.420 9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.836 -2.404 11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.627 1.532 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.453 0.567 8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.053 -0.109 9.218 1.00 0.00 H new ATOM 1014 N GLU A 61 107.837 -4.291 11.242 1.00 0.00 N ATOM 1015 CA GLU A 61 108.283 -5.680 10.917 1.00 0.00 C ATOM 1016 C GLU A 61 107.072 -6.563 10.602 1.00 0.00 C ATOM 1017 O GLU A 61 106.033 -6.426 11.225 1.00 0.00 O ATOM 1018 CB GLU A 61 108.985 -6.175 12.182 1.00 0.00 C ATOM 1019 CG GLU A 61 109.708 -7.491 11.885 1.00 0.00 C ATOM 1020 CD GLU A 61 110.306 -8.048 13.178 1.00 0.00 C ATOM 1021 OE1 GLU A 61 111.208 -7.421 13.708 1.00 0.00 O ATOM 1022 OE2 GLU A 61 109.852 -9.092 13.616 1.00 0.00 O ATOM 0 H GLU A 61 107.405 -4.187 12.160 1.00 0.00 H new ATOM 0 HA GLU A 61 108.937 -5.710 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.697 -5.428 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.258 -6.320 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 109.012 -8.211 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.495 -7.328 11.149 1.00 0.00 H new ATOM 1029 N THR A 62 107.207 -7.455 9.647 1.00 0.00 N ATOM 1030 CA THR A 62 106.087 -8.381 9.291 1.00 0.00 C ATOM 1031 C THR A 62 106.515 -9.842 9.469 1.00 0.00 C ATOM 1032 O THR A 62 107.615 -10.218 9.103 1.00 0.00 O ATOM 1033 CB THR A 62 105.774 -8.078 7.826 1.00 0.00 C ATOM 1034 OG1 THR A 62 106.973 -8.131 7.065 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.156 -6.683 7.720 1.00 0.00 C ATOM 0 H THR A 62 108.055 -7.580 9.095 1.00 0.00 H new ATOM 0 HA THR A 62 105.216 -8.237 9.931 1.00 0.00 H new ATOM 0 HB THR A 62 105.071 -8.816 7.440 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.468 -7.292 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 62 104.931 -6.463 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.237 -6.647 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.859 -5.944 8.103 1.00 0.00 H new ATOM 1043 N GLU A 63 105.639 -10.651 10.020 1.00 0.00 N ATOM 1044 CA GLU A 63 106.018 -12.029 10.481 1.00 0.00 C ATOM 1045 C GLU A 63 106.145 -13.009 9.305 1.00 0.00 C ATOM 1046 O GLU A 63 105.819 -12.678 8.179 1.00 0.00 O ATOM 1047 CB GLU A 63 104.921 -12.482 11.461 1.00 0.00 C ATOM 1048 CG GLU A 63 103.541 -12.508 10.789 1.00 0.00 C ATOM 1049 CD GLU A 63 102.591 -13.384 11.608 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.796 -14.586 11.630 1.00 0.00 O ATOM 1051 OE2 GLU A 63 101.675 -12.836 12.200 1.00 0.00 O ATOM 0 H GLU A 63 104.660 -10.411 10.173 1.00 0.00 H new ATOM 0 HA GLU A 63 106.995 -12.013 10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.160 -13.475 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.897 -11.809 12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.144 -11.496 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.626 -12.896 9.774 1.00 0.00 H new ATOM 1058 N ASP A 64 106.619 -14.205 9.580 1.00 0.00 N ATOM 1059 CA ASP A 64 106.816 -15.237 8.503 1.00 0.00 C ATOM 1060 C ASP A 64 105.449 -15.681 7.970 1.00 0.00 C ATOM 1061 O ASP A 64 104.510 -15.826 8.732 1.00 0.00 O ATOM 1062 CB ASP A 64 107.535 -16.427 9.162 1.00 0.00 C ATOM 1063 CG ASP A 64 108.892 -15.992 9.724 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.719 -15.545 8.948 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.081 -16.114 10.923 1.00 0.00 O ATOM 0 H ASP A 64 106.881 -14.514 10.516 1.00 0.00 H new ATOM 0 HA ASP A 64 107.397 -14.842 7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 64 106.917 -16.834 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.676 -17.224 8.432 1.00 0.00 H new ATOM 1070 N PHE A 65 105.342 -15.895 6.676 1.00 0.00 N ATOM 1071 CA PHE A 65 104.026 -16.253 6.060 1.00 0.00 C ATOM 1072 C PHE A 65 104.199 -17.376 5.030 1.00 0.00 C ATOM 1073 O PHE A 65 105.306 -17.674 4.624 1.00 0.00 O ATOM 1074 CB PHE A 65 103.529 -14.963 5.396 1.00 0.00 C ATOM 1075 CG PHE A 65 104.445 -14.419 4.325 1.00 0.00 C ATOM 1076 CD1 PHE A 65 104.277 -14.832 2.967 1.00 0.00 C ATOM 1077 CD2 PHE A 65 105.478 -13.491 4.667 1.00 0.00 C ATOM 1078 CE1 PHE A 65 105.141 -14.318 1.950 1.00 0.00 C ATOM 1079 CE2 PHE A 65 106.342 -12.977 3.651 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.174 -13.390 2.292 1.00 0.00 C ATOM 0 H PHE A 65 106.119 -15.836 6.018 1.00 0.00 H new ATOM 0 HA PHE A 65 103.315 -16.624 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.548 -15.149 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.396 -14.201 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 65 103.497 -15.533 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 65 105.605 -13.179 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 65 105.013 -14.630 0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 65 107.122 -12.276 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.827 -13.001 1.525 1.00 0.00 H new ATOM 1090 N GLU A 66 103.110 -17.986 4.618 1.00 0.00 N ATOM 1091 CA GLU A 66 103.172 -19.072 3.591 1.00 0.00 C ATOM 1092 C GLU A 66 102.243 -18.753 2.414 1.00 0.00 C ATOM 1093 O GLU A 66 101.213 -18.124 2.586 1.00 0.00 O ATOM 1094 CB GLU A 66 102.701 -20.336 4.317 1.00 0.00 C ATOM 1095 CG GLU A 66 103.896 -21.039 4.970 1.00 0.00 C ATOM 1096 CD GLU A 66 103.418 -22.232 5.804 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.385 -22.118 6.445 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.103 -23.242 5.794 1.00 0.00 O ATOM 0 H GLU A 66 102.171 -17.773 4.955 1.00 0.00 H new ATOM 0 HA GLU A 66 104.175 -19.186 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.962 -20.076 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.212 -21.009 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.591 -21.378 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.438 -20.337 5.604 1.00 0.00 H new ATOM 1105 N PHE A 67 102.614 -19.185 1.232 1.00 0.00 N ATOM 1106 CA PHE A 67 101.739 -19.034 0.031 1.00 0.00 C ATOM 1107 C PHE A 67 101.995 -20.196 -0.933 1.00 0.00 C ATOM 1108 O PHE A 67 103.128 -20.577 -1.157 1.00 0.00 O ATOM 1109 CB PHE A 67 102.151 -17.699 -0.596 1.00 0.00 C ATOM 1110 CG PHE A 67 101.367 -17.341 -1.839 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.057 -16.780 -1.724 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.936 -17.568 -3.130 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.317 -16.445 -2.900 1.00 0.00 C ATOM 1114 CE2 PHE A 67 101.196 -17.232 -4.306 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.888 -16.671 -4.191 1.00 0.00 C ATOM 0 H PHE A 67 103.506 -19.645 1.048 1.00 0.00 H new ATOM 0 HA PHE A 67 100.677 -19.046 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.025 -16.907 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.212 -17.737 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.627 -16.609 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.925 -17.993 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.327 -16.021 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.626 -17.403 -5.282 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.330 -16.417 -5.080 1.00 0.00 H new ATOM 1125 N ASN A 68 100.948 -20.764 -1.500 1.00 0.00 N ATOM 1126 CA ASN A 68 101.075 -21.894 -2.488 1.00 0.00 C ATOM 1127 C ASN A 68 101.951 -23.038 -1.950 1.00 0.00 C ATOM 1128 O ASN A 68 102.643 -23.700 -2.704 1.00 0.00 O ATOM 1129 CB ASN A 68 101.693 -21.282 -3.752 1.00 0.00 C ATOM 1130 CG ASN A 68 100.671 -20.370 -4.434 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.916 -19.682 -3.775 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.614 -20.334 -5.737 1.00 0.00 N ATOM 0 H ASN A 68 99.985 -20.483 -1.313 1.00 0.00 H new ATOM 0 HA ASN A 68 100.100 -22.339 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.587 -20.714 -3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.004 -22.072 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.937 -19.729 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.247 -20.911 -6.291 1.00 0.00 H new ATOM 1139 N GLY A 69 101.915 -23.264 -0.656 1.00 0.00 N ATOM 1140 CA GLY A 69 102.671 -24.400 -0.041 1.00 0.00 C ATOM 1141 C GLY A 69 104.168 -24.082 0.095 1.00 0.00 C ATOM 1142 O GLY A 69 104.964 -24.990 0.270 1.00 0.00 O ATOM 0 H GLY A 69 101.385 -22.700 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.256 -24.623 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.543 -25.294 -0.651 1.00 0.00 H new ATOM 1146 N LYS A 70 104.556 -22.825 0.020 1.00 0.00 N ATOM 1147 CA LYS A 70 105.997 -22.448 0.146 1.00 0.00 C ATOM 1148 C LYS A 70 106.171 -21.458 1.301 1.00 0.00 C ATOM 1149 O LYS A 70 105.351 -20.575 1.481 1.00 0.00 O ATOM 1150 CB LYS A 70 106.355 -21.783 -1.185 1.00 0.00 C ATOM 1151 CG LYS A 70 106.314 -22.823 -2.306 1.00 0.00 C ATOM 1152 CD LYS A 70 106.765 -22.178 -3.618 1.00 0.00 C ATOM 1153 CE LYS A 70 106.600 -23.181 -4.763 1.00 0.00 C ATOM 1154 NZ LYS A 70 106.804 -22.382 -6.004 1.00 0.00 N ATOM 0 H LYS A 70 103.923 -22.038 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 70 106.636 -23.307 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.655 -20.975 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.348 -21.337 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.963 -23.664 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 70 105.304 -23.220 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 70 106.176 -21.283 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.806 -21.864 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.328 -23.989 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 70 105.612 -23.640 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 106.707 -23.000 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 106.092 -21.625 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.756 -21.963 -5.994 1.00 0.00 H new ATOM 1168 N ARG A 71 107.225 -21.608 2.070 1.00 0.00 N ATOM 1169 CA ARG A 71 107.449 -20.722 3.255 1.00 0.00 C ATOM 1170 C ARG A 71 108.330 -19.529 2.870 1.00 0.00 C ATOM 1171 O ARG A 71 109.360 -19.696 2.242 1.00 0.00 O ATOM 1172 CB ARG A 71 108.155 -21.599 4.291 1.00 0.00 C ATOM 1173 CG ARG A 71 107.192 -22.682 4.783 1.00 0.00 C ATOM 1174 CD ARG A 71 107.890 -23.553 5.833 1.00 0.00 C ATOM 1175 NE ARG A 71 106.892 -24.606 6.217 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.247 -25.783 6.698 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.496 -26.127 6.906 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.308 -26.643 6.990 1.00 0.00 N ATOM 0 H ARG A 71 107.946 -22.314 1.924 1.00 0.00 H new ATOM 0 HA ARG A 71 106.515 -20.315 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 71 109.041 -22.057 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.493 -20.990 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.301 -22.223 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.863 -23.298 3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.797 -24.002 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.186 -22.961 6.699 1.00 0.00 H new ATOM 0 HE ARG A 71 105.899 -24.404 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.248 -25.471 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.715 -27.050 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.329 -26.398 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.554 -27.560 7.363 1.00 0.00 H new ATOM 1192 N PHE A 72 107.920 -18.339 3.246 1.00 0.00 N ATOM 1193 CA PHE A 72 108.721 -17.111 2.955 1.00 0.00 C ATOM 1194 C PHE A 72 109.076 -16.407 4.266 1.00 0.00 C ATOM 1195 O PHE A 72 108.281 -16.381 5.190 1.00 0.00 O ATOM 1196 CB PHE A 72 107.806 -16.235 2.100 1.00 0.00 C ATOM 1197 CG PHE A 72 107.442 -16.860 0.774 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.392 -17.828 0.704 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.148 -16.486 -0.411 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.048 -18.420 -0.551 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.805 -17.078 -1.665 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.754 -18.045 -1.736 1.00 0.00 C ATOM 0 H PHE A 72 107.050 -18.167 3.750 1.00 0.00 H new ATOM 0 HA PHE A 72 109.658 -17.331 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.893 -16.025 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.296 -15.278 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.859 -18.112 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.941 -15.755 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.255 -19.151 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.340 -16.795 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.494 -18.492 -2.684 1.00 0.00 H new ATOM 1212 N PHE A 73 110.255 -15.832 4.338 1.00 0.00 N ATOM 1213 CA PHE A 73 110.793 -15.339 5.645 1.00 0.00 C ATOM 1214 C PHE A 73 110.298 -13.919 5.926 1.00 0.00 C ATOM 1215 O PHE A 73 109.956 -13.186 5.014 1.00 0.00 O ATOM 1216 CB PHE A 73 112.318 -15.360 5.503 1.00 0.00 C ATOM 1217 CG PHE A 73 112.890 -16.748 5.347 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.216 -17.522 6.505 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.105 -17.290 4.042 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.757 -18.836 6.356 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.647 -18.605 3.894 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.972 -19.378 5.052 1.00 0.00 C ATOM 0 H PHE A 73 110.871 -15.683 3.539 1.00 0.00 H new ATOM 0 HA PHE A 73 110.461 -15.961 6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.603 -14.759 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.763 -14.889 6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.053 -17.113 7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.858 -16.706 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 73 114.004 -19.420 7.230 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.811 -19.014 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.380 -20.372 4.941 1.00 0.00 H new ATOM 1232 N GLY A 74 110.263 -13.539 7.184 1.00 0.00 N ATOM 1233 CA GLY A 74 109.733 -12.201 7.585 1.00 0.00 C ATOM 1234 C GLY A 74 110.650 -11.094 7.059 1.00 0.00 C ATOM 1235 O GLY A 74 111.798 -11.340 6.732 1.00 0.00 O ATOM 0 H GLY A 74 110.587 -14.114 7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.725 -12.067 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.662 -12.140 8.671 1.00 0.00 H new ATOM 1239 N VAL A 75 110.142 -9.886 6.985 1.00 0.00 N ATOM 1240 CA VAL A 75 110.914 -8.760 6.368 1.00 0.00 C ATOM 1241 C VAL A 75 110.727 -7.476 7.182 1.00 0.00 C ATOM 1242 O VAL A 75 109.749 -7.330 7.894 1.00 0.00 O ATOM 1243 CB VAL A 75 110.378 -8.593 4.934 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.669 -9.859 4.126 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.865 -8.331 4.927 1.00 0.00 C ATOM 0 H VAL A 75 109.217 -9.630 7.329 1.00 0.00 H new ATOM 0 HA VAL A 75 111.983 -8.972 6.355 1.00 0.00 H new ATOM 0 HB VAL A 75 110.879 -7.735 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.289 -9.739 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.745 -10.030 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.181 -10.712 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.520 -8.218 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.348 -9.170 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.651 -7.419 5.484 1.00 0.00 H new ATOM 1255 N LYS A 76 111.661 -6.560 7.074 1.00 0.00 N ATOM 1256 CA LYS A 76 111.540 -5.239 7.766 1.00 0.00 C ATOM 1257 C LYS A 76 111.431 -4.123 6.724 1.00 0.00 C ATOM 1258 O LYS A 76 112.147 -4.131 5.737 1.00 0.00 O ATOM 1259 CB LYS A 76 112.829 -5.086 8.576 1.00 0.00 C ATOM 1260 CG LYS A 76 112.896 -6.156 9.670 1.00 0.00 C ATOM 1261 CD LYS A 76 114.130 -5.915 10.542 1.00 0.00 C ATOM 1262 CE LYS A 76 114.261 -7.042 11.569 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.578 -6.815 12.225 1.00 0.00 N ATOM 0 H LYS A 76 112.514 -6.675 6.527 1.00 0.00 H new ATOM 0 HA LYS A 76 110.657 -5.183 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.693 -5.174 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.870 -4.094 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.994 -6.124 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.942 -7.148 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 76 115.024 -5.870 9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.047 -4.954 11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.448 -7.011 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.223 -8.020 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.666 -7.440 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.342 -7.023 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 115.647 -5.824 12.531 1.00 0.00 H new ATOM 1277 N VAL A 77 110.546 -3.175 6.942 1.00 0.00 N ATOM 1278 CA VAL A 77 110.317 -2.087 5.936 1.00 0.00 C ATOM 1279 C VAL A 77 110.275 -0.732 6.657 1.00 0.00 C ATOM 1280 O VAL A 77 109.736 -0.628 7.744 1.00 0.00 O ATOM 1281 CB VAL A 77 108.967 -2.408 5.266 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.642 -1.367 4.188 1.00 0.00 C ATOM 1283 CG2 VAL A 77 109.017 -3.787 4.595 1.00 0.00 C ATOM 0 H VAL A 77 109.969 -3.109 7.781 1.00 0.00 H new ATOM 0 HA VAL A 77 111.110 -2.033 5.190 1.00 0.00 H new ATOM 0 HB VAL A 77 108.201 -2.395 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.685 -1.609 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.585 -0.378 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.424 -1.373 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.056 -3.999 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.800 -3.794 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.231 -4.549 5.345 1.00 0.00 H new ATOM 1293 N LEU A 78 110.839 0.289 6.052 1.00 0.00 N ATOM 1294 CA LEU A 78 110.806 1.660 6.653 1.00 0.00 C ATOM 1295 C LEU A 78 110.512 2.712 5.564 1.00 0.00 C ATOM 1296 O LEU A 78 111.222 2.741 4.576 1.00 0.00 O ATOM 1297 CB LEU A 78 112.213 1.844 7.232 1.00 0.00 C ATOM 1298 CG LEU A 78 112.324 3.173 7.989 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.466 3.135 9.256 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.784 3.395 8.384 1.00 0.00 C ATOM 0 H LEU A 78 111.326 0.228 5.158 1.00 0.00 H new ATOM 0 HA LEU A 78 110.030 1.778 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.445 1.018 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.948 1.817 6.428 1.00 0.00 H new ATOM 0 HG LEU A 78 111.975 3.982 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.554 4.085 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.424 2.966 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.808 2.327 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.876 4.338 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.116 2.577 9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.403 3.429 7.487 1.00 0.00 H new ATOM 1312 N PRO A 79 109.492 3.541 5.748 1.00 0.00 N ATOM 1313 CA PRO A 79 109.181 4.615 4.748 1.00 0.00 C ATOM 1314 C PRO A 79 110.327 5.631 4.639 1.00 0.00 C ATOM 1315 O PRO A 79 111.027 5.883 5.603 1.00 0.00 O ATOM 1316 CB PRO A 79 107.927 5.284 5.322 1.00 0.00 C ATOM 1317 CG PRO A 79 107.335 4.232 6.193 1.00 0.00 C ATOM 1318 CD PRO A 79 108.513 3.586 6.853 1.00 0.00 C ATOM 0 HA PRO A 79 109.040 4.219 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.175 6.181 5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.238 5.586 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.654 4.662 6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.761 3.511 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.878 4.169 7.699 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.276 2.591 7.230 1.00 0.00 H new ATOM 1326 N ILE A 80 110.510 6.204 3.470 1.00 0.00 N ATOM 1327 CA ILE A 80 111.478 7.334 3.296 1.00 0.00 C ATOM 1328 C ILE A 80 110.919 8.371 2.314 1.00 0.00 C ATOM 1329 O ILE A 80 109.920 8.131 1.660 1.00 0.00 O ATOM 1330 CB ILE A 80 112.783 6.719 2.756 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.542 5.981 1.426 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.358 5.744 3.790 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.880 5.607 0.781 1.00 0.00 C ATOM 0 H ILE A 80 110.021 5.931 2.617 1.00 0.00 H new ATOM 0 HA ILE A 80 111.654 7.849 4.240 1.00 0.00 H new ATOM 0 HB ILE A 80 113.492 7.527 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.951 5.082 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.967 6.613 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.281 5.310 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.566 6.278 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.636 4.950 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.698 5.086 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.456 6.512 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.439 4.957 1.454 1.00 0.00 H new ATOM 1345 N LYS A 81 111.564 9.509 2.216 1.00 0.00 N ATOM 1346 CA LYS A 81 111.270 10.473 1.111 1.00 0.00 C ATOM 1347 C LYS A 81 112.505 10.604 0.215 1.00 0.00 C ATOM 1348 O LYS A 81 113.604 10.787 0.707 1.00 0.00 O ATOM 1349 CB LYS A 81 110.958 11.803 1.802 1.00 0.00 C ATOM 1350 CG LYS A 81 109.663 11.680 2.608 1.00 0.00 C ATOM 1351 CD LYS A 81 108.467 11.600 1.656 1.00 0.00 C ATOM 1352 CE LYS A 81 107.168 11.639 2.462 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.974 10.244 2.946 1.00 0.00 N ATOM 0 H LYS A 81 112.291 9.814 2.864 1.00 0.00 H new ATOM 0 HA LYS A 81 110.440 10.151 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.781 12.083 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.860 12.595 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.699 10.791 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.554 12.537 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.494 12.430 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.516 10.682 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 81 107.241 12.339 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 81 106.330 11.963 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.687 10.260 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 106.234 9.780 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 107.865 9.716 2.850 1.00 0.00 H new ATOM 1367 N ILE A 82 112.324 10.511 -1.082 1.00 0.00 N ATOM 1368 CA ILE A 82 113.485 10.521 -2.028 1.00 0.00 C ATOM 1369 C ILE A 82 113.533 11.881 -2.735 1.00 0.00 C ATOM 1370 O ILE A 82 112.566 12.288 -3.352 1.00 0.00 O ATOM 1371 CB ILE A 82 113.230 9.374 -3.025 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.137 8.032 -2.287 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.378 9.283 -4.040 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.532 6.975 -3.214 1.00 0.00 C ATOM 0 H ILE A 82 111.411 10.428 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 82 114.442 10.378 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 82 112.292 9.583 -3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.127 7.717 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.523 8.139 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.183 8.468 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.453 10.221 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.314 9.095 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.467 6.023 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.534 7.288 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.163 6.860 -4.095 1.00 0.00 H new ATOM 1386 N LEU A 83 114.650 12.566 -2.638 1.00 0.00 N ATOM 1387 CA LEU A 83 114.786 13.918 -3.259 1.00 0.00 C ATOM 1388 C LEU A 83 115.709 13.850 -4.481 1.00 0.00 C ATOM 1389 O LEU A 83 116.880 13.535 -4.356 1.00 0.00 O ATOM 1390 CB LEU A 83 115.406 14.802 -2.172 1.00 0.00 C ATOM 1391 CG LEU A 83 114.435 14.954 -0.999 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.159 15.606 0.182 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.256 15.837 -1.418 1.00 0.00 C ATOM 0 H LEU A 83 115.482 12.238 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 83 113.828 14.308 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.341 14.363 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.647 15.782 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 83 114.067 13.970 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.468 15.714 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 83 115.999 14.980 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.527 16.588 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.566 15.944 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.624 16.820 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.738 15.377 -2.259 1.00 0.00 H new ATOM 1405 N ILE A 84 115.181 14.142 -5.647 1.00 0.00 N ATOM 1406 CA ILE A 84 116.013 14.183 -6.890 1.00 0.00 C ATOM 1407 C ILE A 84 115.728 15.504 -7.616 1.00 0.00 C ATOM 1408 O ILE A 84 114.594 15.788 -7.957 1.00 0.00 O ATOM 1409 CB ILE A 84 115.580 12.969 -7.736 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.824 11.666 -6.963 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.388 12.913 -9.039 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.087 10.511 -7.646 1.00 0.00 C ATOM 0 H ILE A 84 114.194 14.357 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 84 117.083 14.135 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 84 114.519 13.077 -7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.892 11.453 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.478 11.772 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.072 12.051 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.218 13.825 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.449 12.824 -8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.264 9.589 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 84 114.018 10.723 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.454 10.398 -8.666 1.00 0.00 H new ATOM 1424 N GLY A 85 116.747 16.304 -7.842 1.00 0.00 N ATOM 1425 CA GLY A 85 116.563 17.630 -8.512 1.00 0.00 C ATOM 1426 C GLY A 85 115.709 18.548 -7.630 1.00 0.00 C ATOM 1427 O GLY A 85 116.077 18.847 -6.508 1.00 0.00 O ATOM 0 H GLY A 85 117.711 16.089 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.533 18.090 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.083 17.494 -9.481 1.00 0.00 H new ATOM 1431 N ASN A 86 114.580 18.987 -8.141 1.00 0.00 N ATOM 1432 CA ASN A 86 113.633 19.815 -7.330 1.00 0.00 C ATOM 1433 C ASN A 86 112.335 19.053 -7.013 1.00 0.00 C ATOM 1434 O ASN A 86 111.351 19.668 -6.642 1.00 0.00 O ATOM 1435 CB ASN A 86 113.328 21.032 -8.206 1.00 0.00 C ATOM 1436 CG ASN A 86 114.583 21.896 -8.348 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.348 22.039 -7.414 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.829 22.484 -9.487 1.00 0.00 N ATOM 0 H ASN A 86 114.273 18.803 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 86 114.068 20.083 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.986 20.708 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.521 21.617 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.662 23.063 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.188 22.365 -10.271 1.00 0.00 H new ATOM 1445 N LYS A 87 112.324 17.742 -7.152 1.00 0.00 N ATOM 1446 CA LYS A 87 111.066 16.955 -6.960 1.00 0.00 C ATOM 1447 C LYS A 87 111.235 15.944 -5.822 1.00 0.00 C ATOM 1448 O LYS A 87 112.300 15.378 -5.651 1.00 0.00 O ATOM 1449 CB LYS A 87 110.848 16.227 -8.288 1.00 0.00 C ATOM 1450 CG LYS A 87 110.518 17.243 -9.385 1.00 0.00 C ATOM 1451 CD LYS A 87 110.189 16.504 -10.684 1.00 0.00 C ATOM 1452 CE LYS A 87 109.980 17.516 -11.810 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.556 16.704 -12.985 1.00 0.00 N ATOM 0 H LYS A 87 113.143 17.184 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 87 110.222 17.592 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.742 15.665 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 87 110.036 15.507 -8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.672 17.860 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.363 17.914 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 87 110.999 15.821 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.291 15.900 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.221 18.251 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.897 18.067 -12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 109.393 17.330 -13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 110.301 16.018 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.677 16.197 -12.757 1.00 0.00 H new ATOM 1467 N LYS A 88 110.191 15.724 -5.055 1.00 0.00 N ATOM 1468 CA LYS A 88 110.238 14.720 -3.944 1.00 0.00 C ATOM 1469 C LYS A 88 109.131 13.674 -4.126 1.00 0.00 C ATOM 1470 O LYS A 88 107.979 14.017 -4.325 1.00 0.00 O ATOM 1471 CB LYS A 88 110.064 15.518 -2.640 1.00 0.00 C ATOM 1472 CG LYS A 88 108.731 16.280 -2.607 1.00 0.00 C ATOM 1473 CD LYS A 88 108.640 17.088 -1.312 1.00 0.00 C ATOM 1474 CE LYS A 88 107.210 17.603 -1.131 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.333 18.764 -0.206 1.00 0.00 N ATOM 0 H LYS A 88 109.297 16.205 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 88 111.179 14.170 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.115 14.838 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.888 16.224 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.657 16.944 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.898 15.580 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.924 16.467 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.338 17.925 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.775 17.902 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.563 16.832 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.392 19.172 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.744 18.448 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 107.949 19.485 -0.633 1.00 0.00 H new ATOM 1489 N ILE A 89 109.486 12.412 -4.062 1.00 0.00 N ATOM 1490 CA ILE A 89 108.482 11.311 -4.219 1.00 0.00 C ATOM 1491 C ILE A 89 108.579 10.376 -3.005 1.00 0.00 C ATOM 1492 O ILE A 89 109.659 10.141 -2.494 1.00 0.00 O ATOM 1493 CB ILE A 89 108.855 10.580 -5.525 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.794 11.548 -6.715 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.874 9.431 -5.793 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.506 10.928 -7.919 1.00 0.00 C ATOM 0 H ILE A 89 110.442 12.094 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 89 107.457 11.677 -4.270 1.00 0.00 H new ATOM 0 HB ILE A 89 109.866 10.189 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.756 11.766 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.264 12.495 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.150 8.925 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.910 8.721 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.864 9.829 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.461 11.617 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.548 10.733 -7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.017 9.992 -8.189 1.00 0.00 H new ATOM 1508 N ASP A 90 107.458 9.856 -2.554 1.00 0.00 N ATOM 1509 CA ASP A 90 107.463 8.901 -1.397 1.00 0.00 C ATOM 1510 C ASP A 90 107.999 7.538 -1.845 1.00 0.00 C ATOM 1511 O ASP A 90 107.660 7.062 -2.914 1.00 0.00 O ATOM 1512 CB ASP A 90 106.007 8.773 -0.940 1.00 0.00 C ATOM 1513 CG ASP A 90 105.530 10.111 -0.370 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.633 11.102 -1.074 1.00 0.00 O ATOM 1515 OD2 ASP A 90 105.069 10.120 0.760 1.00 0.00 O ATOM 0 H ASP A 90 106.535 10.054 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 90 108.101 9.257 -0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.376 8.478 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.919 7.992 -0.185 1.00 0.00 H new ATOM 1520 N GLY A 91 108.828 6.921 -1.034 1.00 0.00 N ATOM 1521 CA GLY A 91 109.370 5.567 -1.359 1.00 0.00 C ATOM 1522 C GLY A 91 109.590 4.791 -0.058 1.00 0.00 C ATOM 1523 O GLY A 91 109.082 5.174 0.980 1.00 0.00 O ATOM 0 H GLY A 91 109.155 7.307 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.676 5.029 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.309 5.659 -1.906 1.00 0.00 H new ATOM 1527 N ALA A 92 110.346 3.719 -0.116 1.00 0.00 N ATOM 1528 CA ALA A 92 110.603 2.891 1.103 1.00 0.00 C ATOM 1529 C ALA A 92 111.858 2.036 0.913 1.00 0.00 C ATOM 1530 O ALA A 92 112.244 1.744 -0.204 1.00 0.00 O ATOM 1531 CB ALA A 92 109.362 2.010 1.255 1.00 0.00 C ATOM 0 H ALA A 92 110.799 3.381 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 92 110.775 3.504 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.475 1.371 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.481 2.640 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.245 1.390 0.366 1.00 0.00 H new ATOM 1537 N ILE A 93 112.483 1.640 1.998 1.00 0.00 N ATOM 1538 CA ILE A 93 113.683 0.749 1.924 1.00 0.00 C ATOM 1539 C ILE A 93 113.284 -0.642 2.433 1.00 0.00 C ATOM 1540 O ILE A 93 112.528 -0.756 3.381 1.00 0.00 O ATOM 1541 CB ILE A 93 114.750 1.383 2.838 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.086 2.807 2.374 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.041 0.555 2.804 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.850 3.540 3.479 1.00 0.00 C ATOM 0 H ILE A 93 112.207 1.901 2.945 1.00 0.00 H new ATOM 0 HA ILE A 93 114.068 0.645 0.910 1.00 0.00 H new ATOM 0 HB ILE A 93 114.344 1.409 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.686 2.772 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.171 3.347 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.785 1.015 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.833 -0.458 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.423 0.519 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.088 4.551 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.234 3.588 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.773 3.004 3.700 1.00 0.00 H new ATOM 1556 N VAL A 94 113.793 -1.678 1.806 1.00 0.00 N ATOM 1557 CA VAL A 94 113.395 -3.077 2.170 1.00 0.00 C ATOM 1558 C VAL A 94 114.648 -3.879 2.547 1.00 0.00 C ATOM 1559 O VAL A 94 115.629 -3.873 1.824 1.00 0.00 O ATOM 1560 CB VAL A 94 112.710 -3.660 0.917 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.232 -5.092 1.184 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.488 -2.816 0.534 1.00 0.00 C ATOM 0 H VAL A 94 114.474 -1.613 1.050 1.00 0.00 H new ATOM 0 HA VAL A 94 112.721 -3.111 3.026 1.00 0.00 H new ATOM 0 HB VAL A 94 113.440 -3.654 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.751 -5.488 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.086 -5.718 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.519 -5.090 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.016 -3.240 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.775 -2.813 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.803 -1.794 0.323 1.00 0.00 H new ATOM 1572 N VAL A 95 114.606 -4.557 3.672 1.00 0.00 N ATOM 1573 CA VAL A 95 115.738 -5.444 4.088 1.00 0.00 C ATOM 1574 C VAL A 95 115.153 -6.701 4.764 1.00 0.00 C ATOM 1575 O VAL A 95 114.248 -6.565 5.565 1.00 0.00 O ATOM 1576 CB VAL A 95 116.578 -4.613 5.079 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.778 -5.427 5.579 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.110 -3.348 4.396 1.00 0.00 C ATOM 0 H VAL A 95 113.824 -4.532 4.327 1.00 0.00 H new ATOM 0 HA VAL A 95 116.354 -5.774 3.251 1.00 0.00 H new ATOM 0 HB VAL A 95 115.935 -4.344 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.360 -4.826 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.423 -6.326 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.405 -5.708 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.701 -2.771 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.735 -3.628 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.273 -2.744 4.046 1.00 0.00 H new ATOM 1588 N PRO A 96 115.661 -7.884 4.442 1.00 0.00 N ATOM 1589 CA PRO A 96 115.166 -9.144 5.093 1.00 0.00 C ATOM 1590 C PRO A 96 115.307 -9.091 6.623 1.00 0.00 C ATOM 1591 O PRO A 96 116.159 -8.392 7.142 1.00 0.00 O ATOM 1592 CB PRO A 96 116.082 -10.222 4.510 1.00 0.00 C ATOM 1593 CG PRO A 96 116.494 -9.659 3.196 1.00 0.00 C ATOM 1594 CD PRO A 96 116.715 -8.200 3.453 1.00 0.00 C ATOM 0 HA PRO A 96 114.107 -9.319 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 96 116.942 -10.408 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.560 -11.172 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.402 -10.137 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.724 -9.815 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.712 -8.004 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.609 -7.608 2.544 1.00 0.00 H new ATOM 1602 N LYS A 97 114.474 -9.826 7.328 1.00 0.00 N ATOM 1603 CA LYS A 97 114.518 -9.826 8.829 1.00 0.00 C ATOM 1604 C LYS A 97 115.838 -10.427 9.328 1.00 0.00 C ATOM 1605 O LYS A 97 116.370 -9.997 10.336 1.00 0.00 O ATOM 1606 CB LYS A 97 113.336 -10.685 9.295 1.00 0.00 C ATOM 1607 CG LYS A 97 113.147 -10.526 10.805 1.00 0.00 C ATOM 1608 CD LYS A 97 112.044 -11.471 11.284 1.00 0.00 C ATOM 1609 CE LYS A 97 111.753 -11.212 12.764 1.00 0.00 C ATOM 1610 NZ LYS A 97 110.373 -11.727 12.981 1.00 0.00 N ATOM 0 H LYS A 97 113.759 -10.431 6.923 1.00 0.00 H new ATOM 0 HA LYS A 97 114.453 -8.812 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.428 -10.386 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.515 -11.732 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.080 -10.746 11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.886 -9.495 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.140 -11.320 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.350 -12.507 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.471 -11.726 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 97 111.819 -10.150 12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 109.739 -10.935 13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.039 -12.200 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.376 -12.406 13.769 1.00 0.00 H new ATOM 1624 N LYS A 98 116.354 -11.411 8.625 1.00 0.00 N ATOM 1625 CA LYS A 98 117.614 -12.093 9.060 1.00 0.00 C ATOM 1626 C LYS A 98 118.832 -11.411 8.430 1.00 0.00 C ATOM 1627 O LYS A 98 118.912 -11.283 7.221 1.00 0.00 O ATOM 1628 CB LYS A 98 117.490 -13.535 8.563 1.00 0.00 C ATOM 1629 CG LYS A 98 118.608 -14.385 9.171 1.00 0.00 C ATOM 1630 CD LYS A 98 118.524 -15.809 8.619 1.00 0.00 C ATOM 1631 CE LYS A 98 119.549 -16.695 9.331 1.00 0.00 C ATOM 1632 NZ LYS A 98 120.829 -16.460 8.607 1.00 0.00 N ATOM 0 H LYS A 98 115.950 -11.772 7.761 1.00 0.00 H new ATOM 0 HA LYS A 98 117.748 -12.049 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 98 116.518 -13.943 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 98 117.550 -13.562 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 98 119.579 -13.949 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 98 118.519 -14.399 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 98 117.520 -16.208 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 98 118.714 -15.806 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 98 119.637 -16.429 10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 98 119.259 -17.745 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 121.574 -17.059 9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 120.708 -16.696 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 121.100 -15.460 8.697 1.00 0.00 H new ATOM 1646 N THR A 99 119.765 -10.978 9.247 1.00 0.00 N ATOM 1647 CA THR A 99 121.007 -10.321 8.731 1.00 0.00 C ATOM 1648 C THR A 99 122.218 -10.722 9.583 1.00 0.00 C ATOM 1649 O THR A 99 122.071 -11.078 10.739 1.00 0.00 O ATOM 1650 CB THR A 99 120.739 -8.807 8.799 1.00 0.00 C ATOM 1651 OG1 THR A 99 121.877 -8.113 8.308 1.00 0.00 O ATOM 1652 CG2 THR A 99 120.448 -8.345 10.234 1.00 0.00 C ATOM 0 H THR A 99 119.716 -11.054 10.263 1.00 0.00 H new ATOM 0 HA THR A 99 121.239 -10.627 7.711 1.00 0.00 H new ATOM 0 HB THR A 99 119.861 -8.590 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 99 121.713 -7.148 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 99 120.264 -7.271 10.240 1.00 0.00 H new ATOM 0 HG22 THR A 99 119.569 -8.866 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.305 -8.570 10.869 1.00 0.00 H new ATOM 1660 N TYR A 100 123.400 -10.662 9.012 1.00 0.00 N ATOM 1661 CA TYR A 100 124.642 -11.032 9.758 1.00 0.00 C ATOM 1662 C TYR A 100 125.334 -9.775 10.294 1.00 0.00 C ATOM 1663 O TYR A 100 125.509 -9.629 11.491 1.00 0.00 O ATOM 1664 CB TYR A 100 125.531 -11.736 8.731 1.00 0.00 C ATOM 1665 CG TYR A 100 124.930 -13.010 8.185 1.00 0.00 C ATOM 1666 CD1 TYR A 100 125.079 -14.236 8.904 1.00 0.00 C ATOM 1667 CD2 TYR A 100 124.212 -12.988 6.950 1.00 0.00 C ATOM 1668 CE1 TYR A 100 124.511 -15.442 8.387 1.00 0.00 C ATOM 1669 CE2 TYR A 100 123.644 -14.194 6.432 1.00 0.00 C ATOM 1670 CZ TYR A 100 123.794 -15.420 7.151 1.00 0.00 C ATOM 1671 OH TYR A 100 123.245 -16.584 6.651 1.00 0.00 O ATOM 0 H TYR A 100 123.556 -10.368 8.048 1.00 0.00 H new ATOM 0 HA TYR A 100 124.430 -11.669 10.617 1.00 0.00 H new ATOM 0 HB2 TYR A 100 125.728 -11.053 7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 100 126.492 -11.965 9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.621 -14.252 9.838 1.00 0.00 H new ATOM 0 HD2 TYR A 100 124.098 -12.061 6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 100 124.624 -16.369 8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 100 123.102 -14.178 5.498 1.00 0.00 H new ATOM 0 HH TYR A 100 122.791 -16.394 5.804 1.00 0.00 H new ATOM 1681 N HIS A 101 125.720 -8.881 9.412 1.00 0.00 N ATOM 1682 CA HIS A 101 126.426 -7.631 9.832 1.00 0.00 C ATOM 1683 C HIS A 101 125.828 -6.418 9.113 1.00 0.00 C ATOM 1684 O HIS A 101 124.832 -6.539 8.420 1.00 0.00 O ATOM 1685 CB HIS A 101 127.882 -7.839 9.413 1.00 0.00 C ATOM 1686 CG HIS A 101 128.552 -8.985 10.120 1.00 0.00 C ATOM 1687 ND1 HIS A 101 128.558 -10.271 9.603 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.241 -9.055 11.306 1.00 0.00 C ATOM 1689 CE1 HIS A 101 129.230 -11.052 10.466 1.00 0.00 C ATOM 1690 NE2 HIS A 101 129.668 -10.362 11.523 1.00 0.00 N ATOM 0 H HIS A 101 125.573 -8.968 8.406 1.00 0.00 H new ATOM 0 HA HIS A 101 126.332 -7.443 10.902 1.00 0.00 H new ATOM 0 HB2 HIS A 101 127.921 -8.013 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.442 -6.925 9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.424 -8.223 11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 101 129.396 -12.109 10.322 1.00 0.00 H new ATOM 0 HE2 HIS A 101 130.200 -10.716 12.318 1.00 0.00 H new ATOM 1698 N SER A 102 126.433 -5.264 9.279 1.00 0.00 N ATOM 1699 CA SER A 102 125.930 -4.021 8.614 1.00 0.00 C ATOM 1700 C SER A 102 126.722 -3.755 7.331 1.00 0.00 C ATOM 1701 O SER A 102 127.885 -4.107 7.236 1.00 0.00 O ATOM 1702 CB SER A 102 126.162 -2.902 9.630 1.00 0.00 C ATOM 1703 OG SER A 102 125.454 -3.200 10.825 1.00 0.00 O ATOM 0 H SER A 102 127.264 -5.131 9.855 1.00 0.00 H new ATOM 0 HA SER A 102 124.880 -4.099 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.227 -2.801 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.825 -1.949 9.222 1.00 0.00 H new ATOM 0 HG SER A 102 125.602 -2.486 11.479 1.00 0.00 H new ATOM 1709 N SER A 103 126.093 -3.139 6.356 1.00 0.00 N ATOM 1710 CA SER A 103 126.759 -2.881 5.042 1.00 0.00 C ATOM 1711 C SER A 103 126.491 -1.445 4.581 1.00 0.00 C ATOM 1712 O SER A 103 125.743 -0.720 5.214 1.00 0.00 O ATOM 1713 CB SER A 103 126.128 -3.881 4.074 1.00 0.00 C ATOM 1714 OG SER A 103 126.406 -5.202 4.517 1.00 0.00 O ATOM 0 H SER A 103 125.133 -2.800 6.419 1.00 0.00 H new ATOM 0 HA SER A 103 127.841 -2.997 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 103 125.051 -3.722 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.523 -3.731 3.069 1.00 0.00 H new ATOM 0 HG SER A 103 126.001 -5.846 3.899 1.00 0.00 H new ATOM 1720 N GLU A 104 127.100 -1.045 3.487 1.00 0.00 N ATOM 1721 CA GLU A 104 126.874 0.323 2.925 1.00 0.00 C ATOM 1722 C GLU A 104 126.026 0.256 1.648 1.00 0.00 C ATOM 1723 O GLU A 104 126.140 1.118 0.796 1.00 0.00 O ATOM 1724 CB GLU A 104 128.276 0.856 2.607 1.00 0.00 C ATOM 1725 CG GLU A 104 128.846 1.587 3.825 1.00 0.00 C ATOM 1726 CD GLU A 104 130.302 1.972 3.554 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.145 1.092 3.599 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.548 3.141 3.308 1.00 0.00 O ATOM 0 H GLU A 104 127.753 -1.619 2.954 1.00 0.00 H new ATOM 0 HA GLU A 104 126.335 0.964 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.932 0.032 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.232 1.533 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.256 2.479 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.785 0.949 4.707 1.00 0.00 H new ATOM 1735 N ILE A 105 125.189 -0.749 1.513 1.00 0.00 N ATOM 1736 CA ILE A 105 124.320 -0.877 0.300 1.00 0.00 C ATOM 1737 C ILE A 105 122.854 -0.965 0.742 1.00 0.00 C ATOM 1738 O ILE A 105 122.508 -1.787 1.573 1.00 0.00 O ATOM 1739 CB ILE A 105 124.765 -2.173 -0.413 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.272 -2.152 -0.747 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.961 -2.376 -1.706 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.648 -0.958 -1.639 1.00 0.00 C ATOM 0 H ILE A 105 125.071 -1.493 2.201 1.00 0.00 H new ATOM 0 HA ILE A 105 124.412 -0.023 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 105 124.576 -3.000 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.848 -2.109 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.545 -3.080 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.286 -3.293 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.900 -2.449 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.125 -1.530 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.717 -0.983 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.093 -1.014 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.401 -0.029 -1.126 1.00 0.00 H new ATOM 1754 N ILE A 106 122.008 -0.125 0.190 1.00 0.00 N ATOM 1755 CA ILE A 106 120.545 -0.167 0.516 1.00 0.00 C ATOM 1756 C ILE A 106 119.720 -0.280 -0.771 1.00 0.00 C ATOM 1757 O ILE A 106 120.095 0.269 -1.792 1.00 0.00 O ATOM 1758 CB ILE A 106 120.226 1.139 1.268 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.602 2.373 0.433 1.00 0.00 C ATOM 1760 CG2 ILE A 106 120.999 1.173 2.588 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.960 3.620 1.046 1.00 0.00 C ATOM 0 H ILE A 106 122.273 0.596 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 106 120.296 -1.033 1.130 1.00 0.00 H new ATOM 0 HB ILE A 106 119.153 1.164 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.686 2.487 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.265 2.246 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.772 2.098 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.708 0.321 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.069 1.125 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.227 4.495 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.876 3.504 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.319 3.750 2.067 1.00 0.00 H new ATOM 1773 N GLU A 107 118.612 -0.984 -0.716 1.00 0.00 N ATOM 1774 CA GLU A 107 117.725 -1.125 -1.912 1.00 0.00 C ATOM 1775 C GLU A 107 116.371 -0.464 -1.642 1.00 0.00 C ATOM 1776 O GLU A 107 115.748 -0.718 -0.626 1.00 0.00 O ATOM 1777 CB GLU A 107 117.553 -2.630 -2.117 1.00 0.00 C ATOM 1778 CG GLU A 107 118.736 -3.176 -2.921 1.00 0.00 C ATOM 1779 CD GLU A 107 118.572 -4.684 -3.118 1.00 0.00 C ATOM 1780 OE1 GLU A 107 117.475 -5.105 -3.446 1.00 0.00 O ATOM 1781 OE2 GLU A 107 119.548 -5.394 -2.936 1.00 0.00 O ATOM 0 H GLU A 107 118.283 -1.471 0.117 1.00 0.00 H new ATOM 0 HA GLU A 107 118.148 -0.645 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.492 -3.134 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.619 -2.832 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.792 -2.677 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.670 -2.967 -2.400 1.00 0.00 H new ATOM 1788 N ILE A 108 115.925 0.372 -2.550 1.00 0.00 N ATOM 1789 CA ILE A 108 114.671 1.160 -2.334 1.00 0.00 C ATOM 1790 C ILE A 108 113.614 0.733 -3.363 1.00 0.00 C ATOM 1791 O ILE A 108 113.944 0.307 -4.453 1.00 0.00 O ATOM 1792 CB ILE A 108 115.081 2.635 -2.523 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.121 3.031 -1.468 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.868 3.563 -2.374 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.794 4.343 -1.876 1.00 0.00 C ATOM 0 H ILE A 108 116.384 0.543 -3.444 1.00 0.00 H new ATOM 0 HA ILE A 108 114.234 1.000 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 108 115.498 2.738 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.642 3.144 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.868 2.244 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.182 4.598 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.120 3.308 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.438 3.443 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.533 4.622 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.287 4.215 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.042 5.128 -1.955 1.00 0.00 H new ATOM 1807 N ILE A 109 112.357 0.848 -3.007 1.00 0.00 N ATOM 1808 CA ILE A 109 111.247 0.705 -4.003 1.00 0.00 C ATOM 1809 C ILE A 109 110.485 2.031 -4.117 1.00 0.00 C ATOM 1810 O ILE A 109 110.491 2.822 -3.189 1.00 0.00 O ATOM 1811 CB ILE A 109 110.332 -0.423 -3.491 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.804 -0.124 -2.079 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.111 -1.741 -3.468 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.494 -0.885 -1.849 1.00 0.00 C ATOM 0 H ILE A 109 112.048 1.038 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 109 111.624 0.460 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 109 109.479 -0.497 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.543 -0.418 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.640 0.947 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.464 -2.540 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.453 -1.979 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.972 -1.643 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.121 -0.672 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.756 -0.569 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.673 -1.956 -1.950 1.00 0.00 H new ATOM 1826 N ALA A 110 109.842 2.263 -5.238 1.00 0.00 N ATOM 1827 CA ALA A 110 109.134 3.561 -5.469 1.00 0.00 C ATOM 1828 C ALA A 110 107.833 3.331 -6.257 1.00 0.00 C ATOM 1829 O ALA A 110 107.687 2.289 -6.868 1.00 0.00 O ATOM 1830 CB ALA A 110 110.112 4.419 -6.271 1.00 0.00 C ATOM 0 H ALA A 110 109.778 1.600 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 110 108.851 4.044 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.660 5.389 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 110 111.027 4.561 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.347 3.920 -7.211 1.00 0.00 H new ATOM 1836 N PRO A 111 106.921 4.292 -6.229 1.00 0.00 N ATOM 1837 CA PRO A 111 105.656 4.183 -7.028 1.00 0.00 C ATOM 1838 C PRO A 111 105.945 4.072 -8.533 1.00 0.00 C ATOM 1839 O PRO A 111 105.200 3.435 -9.258 1.00 0.00 O ATOM 1840 CB PRO A 111 104.928 5.494 -6.716 1.00 0.00 C ATOM 1841 CG PRO A 111 105.476 5.895 -5.393 1.00 0.00 C ATOM 1842 CD PRO A 111 106.934 5.560 -5.468 1.00 0.00 C ATOM 0 HA PRO A 111 105.079 3.294 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.122 6.251 -7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.848 5.353 -6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.323 6.958 -5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.987 5.356 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.505 6.336 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.376 5.437 -4.479 1.00 0.00 H new ATOM 1850 N MET A 112 107.013 4.685 -8.992 1.00 0.00 N ATOM 1851 CA MET A 112 107.319 4.715 -10.457 1.00 0.00 C ATOM 1852 C MET A 112 108.834 4.635 -10.705 1.00 0.00 C ATOM 1853 O MET A 112 109.621 4.795 -9.789 1.00 0.00 O ATOM 1854 CB MET A 112 106.673 6.004 -11.021 1.00 0.00 C ATOM 1855 CG MET A 112 107.466 7.297 -10.746 1.00 0.00 C ATOM 1856 SD MET A 112 107.408 7.751 -8.993 1.00 0.00 S ATOM 1857 CE MET A 112 105.673 8.263 -8.949 1.00 0.00 C ATOM 0 H MET A 112 107.692 5.171 -8.406 1.00 0.00 H new ATOM 0 HA MET A 112 106.905 3.849 -10.973 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.551 5.891 -12.098 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.675 6.109 -10.596 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.503 7.162 -11.054 1.00 0.00 H new ATOM 0 HG3 MET A 112 107.059 8.110 -11.347 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.434 8.655 -7.960 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.503 9.037 -9.697 1.00 0.00 H new ATOM 0 HE3 MET A 112 105.035 7.405 -9.163 1.00 0.00 H new ATOM 1867 N LYS A 113 109.227 4.390 -11.936 1.00 0.00 N ATOM 1868 CA LYS A 113 110.684 4.246 -12.270 1.00 0.00 C ATOM 1869 C LYS A 113 111.392 5.592 -12.111 1.00 0.00 C ATOM 1870 O LYS A 113 111.233 6.468 -12.941 1.00 0.00 O ATOM 1871 CB LYS A 113 110.763 3.809 -13.739 1.00 0.00 C ATOM 1872 CG LYS A 113 110.077 2.455 -13.922 1.00 0.00 C ATOM 1873 CD LYS A 113 110.504 1.835 -15.254 1.00 0.00 C ATOM 1874 CE LYS A 113 109.848 2.596 -16.409 1.00 0.00 C ATOM 1875 NZ LYS A 113 110.537 2.103 -17.634 1.00 0.00 N ATOM 0 H LYS A 113 108.595 4.283 -12.730 1.00 0.00 H new ATOM 0 HA LYS A 113 111.161 3.522 -11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 113 110.287 4.556 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 113 111.805 3.743 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 113 110.340 1.790 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 113 108.994 2.579 -13.898 1.00 0.00 H new ATOM 0 HD2 LYS A 113 111.589 1.870 -15.352 1.00 0.00 H new ATOM 0 HD3 LYS A 113 110.215 0.785 -15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 113 108.777 2.400 -16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 113 109.971 3.673 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 110.142 2.579 -18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 111.554 2.309 -17.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 110.397 1.076 -17.722 1.00 0.00 H new ATOM 1889 N LEU A 114 112.164 5.756 -11.059 1.00 0.00 N ATOM 1890 CA LEU A 114 112.974 7.011 -10.884 1.00 0.00 C ATOM 1891 C LEU A 114 113.983 7.179 -12.025 1.00 0.00 C ATOM 1892 O LEU A 114 114.206 8.282 -12.492 1.00 0.00 O ATOM 1893 CB LEU A 114 113.717 6.865 -9.550 1.00 0.00 C ATOM 1894 CG LEU A 114 112.718 6.903 -8.392 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.425 6.490 -7.100 1.00 0.00 C ATOM 1896 CD2 LEU A 114 112.167 8.323 -8.233 1.00 0.00 C ATOM 0 H LEU A 114 112.269 5.072 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 114 112.327 7.888 -10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.271 5.927 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.446 7.668 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 114 111.898 6.216 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.716 6.516 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.819 5.480 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.244 7.180 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.456 8.347 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.987 9.010 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.665 8.624 -9.153 1.00 0.00 H new ATOM 1908 N ARG A 115 114.581 6.095 -12.472 1.00 0.00 N ATOM 1909 CA ARG A 115 115.607 6.176 -13.566 1.00 0.00 C ATOM 1910 C ARG A 115 114.967 6.664 -14.867 1.00 0.00 C ATOM 1911 O ARG A 115 115.583 7.406 -15.611 1.00 0.00 O ATOM 1912 CB ARG A 115 116.164 4.763 -13.760 1.00 0.00 C ATOM 1913 CG ARG A 115 116.948 4.345 -12.515 1.00 0.00 C ATOM 1914 CD ARG A 115 117.634 2.997 -12.768 1.00 0.00 C ATOM 1915 NE ARG A 115 116.537 1.974 -12.803 1.00 0.00 N ATOM 1916 CZ ARG A 115 116.745 0.697 -12.543 1.00 0.00 C ATOM 1917 NH1 ARG A 115 117.929 0.206 -12.256 1.00 0.00 N ATOM 1918 NH2 ARG A 115 115.728 -0.120 -12.584 1.00 0.00 N ATOM 0 H ARG A 115 114.401 5.153 -12.124 1.00 0.00 H new ATOM 0 HA ARG A 115 116.396 6.879 -13.300 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.349 4.062 -13.941 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.811 4.734 -14.637 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.692 5.103 -12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 115 116.277 4.268 -11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 115 118.185 3.010 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 115 118.353 2.771 -11.980 1.00 0.00 H new ATOM 0 HE ARG A 115 115.592 2.278 -13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.742 0.821 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 115 118.035 -0.790 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 115 114.799 0.233 -12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 115 115.862 -1.112 -12.387 1.00 0.00 H new ATOM 1932 N GLU A 116 113.749 6.251 -15.129 1.00 0.00 N ATOM 1933 CA GLU A 116 113.040 6.696 -16.369 1.00 0.00 C ATOM 1934 C GLU A 116 112.511 8.117 -16.164 1.00 0.00 C ATOM 1935 O GLU A 116 112.749 8.988 -16.982 1.00 0.00 O ATOM 1936 CB GLU A 116 111.890 5.709 -16.593 1.00 0.00 C ATOM 1937 CG GLU A 116 111.252 5.964 -17.960 1.00 0.00 C ATOM 1938 CD GLU A 116 112.197 5.500 -19.072 1.00 0.00 C ATOM 1939 OE1 GLU A 116 112.777 4.434 -18.928 1.00 0.00 O ATOM 1940 OE2 GLU A 116 112.325 6.218 -20.049 1.00 0.00 O ATOM 0 H GLU A 116 113.213 5.621 -14.532 1.00 0.00 H new ATOM 0 HA GLU A 116 113.701 6.710 -17.236 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.261 4.685 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 116 111.144 5.820 -15.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.303 5.433 -18.033 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.033 7.025 -18.076 1.00 0.00 H new ATOM 1947 N GLN A 117 111.815 8.352 -15.073 1.00 0.00 N ATOM 1948 CA GLN A 117 111.139 9.677 -14.858 1.00 0.00 C ATOM 1949 C GLN A 117 112.163 10.816 -14.789 1.00 0.00 C ATOM 1950 O GLN A 117 111.876 11.926 -15.204 1.00 0.00 O ATOM 1951 CB GLN A 117 110.381 9.567 -13.530 1.00 0.00 C ATOM 1952 CG GLN A 117 109.256 8.537 -13.666 1.00 0.00 C ATOM 1953 CD GLN A 117 108.137 9.111 -14.539 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.702 10.227 -14.333 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.650 8.389 -15.511 1.00 0.00 N ATOM 0 H GLN A 117 111.685 7.679 -14.318 1.00 0.00 H new ATOM 0 HA GLN A 117 110.467 9.904 -15.686 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.064 9.272 -12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.968 10.537 -13.253 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.642 7.619 -14.109 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.866 8.277 -12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 117 108.016 7.452 -15.683 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.904 8.761 -16.098 1.00 0.00 H new ATOM 1964 N PHE A 118 113.342 10.543 -14.274 1.00 0.00 N ATOM 1965 CA PHE A 118 114.387 11.606 -14.133 1.00 0.00 C ATOM 1966 C PHE A 118 115.543 11.433 -15.132 1.00 0.00 C ATOM 1967 O PHE A 118 116.533 12.135 -15.034 1.00 0.00 O ATOM 1968 CB PHE A 118 114.898 11.454 -12.701 1.00 0.00 C ATOM 1969 CG PHE A 118 113.904 11.903 -11.655 1.00 0.00 C ATOM 1970 CD1 PHE A 118 113.854 13.276 -11.262 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.015 10.956 -11.060 1.00 0.00 C ATOM 1972 CE1 PHE A 118 112.913 13.702 -10.273 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.076 11.381 -10.071 1.00 0.00 C ATOM 1974 CZ PHE A 118 112.024 12.755 -9.678 1.00 0.00 C ATOM 0 H PHE A 118 113.625 9.620 -13.943 1.00 0.00 H new ATOM 0 HA PHE A 118 113.972 12.592 -14.340 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.153 10.409 -12.524 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.817 12.030 -12.589 1.00 0.00 H new ATOM 0 HD1 PHE A 118 114.526 13.992 -11.712 1.00 0.00 H new ATOM 0 HD2 PHE A 118 113.053 9.919 -11.358 1.00 0.00 H new ATOM 0 HE1 PHE A 118 112.874 14.740 -9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 118 111.405 10.665 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.313 13.077 -8.932 1.00 0.00 H new ATOM 1984 N ASN A 119 115.443 10.520 -16.086 1.00 0.00 N ATOM 1985 CA ASN A 119 116.538 10.289 -17.097 1.00 0.00 C ATOM 1986 C ASN A 119 117.908 10.074 -16.423 1.00 0.00 C ATOM 1987 O ASN A 119 118.914 10.611 -16.859 1.00 0.00 O ATOM 1988 CB ASN A 119 116.549 11.537 -17.993 1.00 0.00 C ATOM 1989 CG ASN A 119 115.240 11.614 -18.783 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.559 12.619 -18.757 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.858 10.586 -19.491 1.00 0.00 N ATOM 0 H ASN A 119 114.631 9.915 -16.206 1.00 0.00 H new ATOM 0 HA ASN A 119 116.352 9.382 -17.673 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.671 12.433 -17.384 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.397 11.498 -18.677 1.00 0.00 H new ATOM 0 HD21 ASN A 119 113.988 10.627 -20.022 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.430 9.741 -19.513 1.00 0.00 H new ATOM 1998 N LEU A 120 117.939 9.287 -15.372 1.00 0.00 N ATOM 1999 CA LEU A 120 119.172 9.168 -14.530 1.00 0.00 C ATOM 2000 C LEU A 120 120.036 7.990 -14.991 1.00 0.00 C ATOM 2001 O LEU A 120 119.525 6.928 -15.299 1.00 0.00 O ATOM 2002 CB LEU A 120 118.676 8.940 -13.101 1.00 0.00 C ATOM 2003 CG LEU A 120 118.051 10.227 -12.560 1.00 0.00 C ATOM 2004 CD1 LEU A 120 117.303 9.923 -11.261 1.00 0.00 C ATOM 2005 CD2 LEU A 120 119.153 11.253 -12.283 1.00 0.00 C ATOM 0 H LEU A 120 117.153 8.716 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 120 119.793 10.061 -14.606 1.00 0.00 H new ATOM 0 HB2 LEU A 120 117.943 8.134 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.504 8.631 -12.463 1.00 0.00 H new ATOM 0 HG LEU A 120 117.355 10.630 -13.296 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.857 10.840 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.518 9.192 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 120 118.000 9.520 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.708 12.170 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.849 10.850 -11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.688 11.470 -13.207 1.00 0.00 H new ATOM 2017 N LYS A 121 121.335 8.186 -15.035 1.00 0.00 N ATOM 2018 CA LYS A 121 122.271 7.102 -15.467 1.00 0.00 C ATOM 2019 C LYS A 121 123.147 6.669 -14.288 1.00 0.00 C ATOM 2020 O LYS A 121 123.287 7.395 -13.319 1.00 0.00 O ATOM 2021 CB LYS A 121 123.134 7.728 -16.567 1.00 0.00 C ATOM 2022 CG LYS A 121 122.270 8.058 -17.787 1.00 0.00 C ATOM 2023 CD LYS A 121 121.852 6.764 -18.489 1.00 0.00 C ATOM 2024 CE LYS A 121 121.133 7.100 -19.796 1.00 0.00 C ATOM 2025 NZ LYS A 121 120.986 5.796 -20.502 1.00 0.00 N ATOM 0 H LYS A 121 121.790 9.064 -14.786 1.00 0.00 H new ATOM 0 HA LYS A 121 121.741 6.218 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.612 8.634 -16.194 1.00 0.00 H new ATOM 0 HB3 LYS A 121 123.931 7.041 -16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.387 8.617 -17.478 1.00 0.00 H new ATOM 0 HG3 LYS A 121 122.825 8.694 -18.476 1.00 0.00 H new ATOM 0 HD2 LYS A 121 122.729 6.149 -18.692 1.00 0.00 H new ATOM 0 HD3 LYS A 121 121.197 6.182 -17.841 1.00 0.00 H new ATOM 0 HE2 LYS A 121 120.162 7.557 -19.606 1.00 0.00 H new ATOM 0 HE3 LYS A 121 121.708 7.809 -20.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 120.500 5.945 -21.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 121.926 5.387 -20.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 120.428 5.144 -19.914 1.00 0.00 H new ATOM 2039 N ASP A 122 123.737 5.495 -14.368 1.00 0.00 N ATOM 2040 CA ASP A 122 124.603 4.972 -13.251 1.00 0.00 C ATOM 2041 C ASP A 122 125.737 5.951 -12.912 1.00 0.00 C ATOM 2042 O ASP A 122 126.351 6.517 -13.800 1.00 0.00 O ATOM 2043 CB ASP A 122 125.197 3.651 -13.755 1.00 0.00 C ATOM 2044 CG ASP A 122 124.079 2.625 -13.956 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.227 2.527 -13.088 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.094 1.955 -14.975 1.00 0.00 O ATOM 0 H ASP A 122 123.655 4.868 -15.169 1.00 0.00 H new ATOM 0 HA ASP A 122 124.014 4.840 -12.343 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.727 3.814 -14.694 1.00 0.00 H new ATOM 0 HB3 ASP A 122 125.926 3.273 -13.039 1.00 0.00 H new ATOM 2051 N GLY A 123 126.004 6.142 -11.640 1.00 0.00 N ATOM 2052 CA GLY A 123 127.057 7.110 -11.205 1.00 0.00 C ATOM 2053 C GLY A 123 126.434 8.435 -10.744 1.00 0.00 C ATOM 2054 O GLY A 123 127.052 9.158 -9.983 1.00 0.00 O ATOM 0 H GLY A 123 125.529 5.660 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.640 6.677 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.747 7.296 -12.028 1.00 0.00 H new ATOM 2058 N ASP A 124 125.234 8.757 -11.189 1.00 0.00 N ATOM 2059 CA ASP A 124 124.569 10.035 -10.756 1.00 0.00 C ATOM 2060 C ASP A 124 124.268 9.984 -9.254 1.00 0.00 C ATOM 2061 O ASP A 124 124.132 8.914 -8.690 1.00 0.00 O ATOM 2062 CB ASP A 124 123.270 10.155 -11.565 1.00 0.00 C ATOM 2063 CG ASP A 124 123.539 10.881 -12.886 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.282 11.849 -12.874 1.00 0.00 O ATOM 2065 OD2 ASP A 124 122.992 10.455 -13.891 1.00 0.00 O ATOM 0 H ASP A 124 124.687 8.187 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 124 125.212 10.897 -10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.862 9.164 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.522 10.698 -10.988 1.00 0.00 H new ATOM 2070 N VAL A 125 124.166 11.130 -8.619 1.00 0.00 N ATOM 2071 CA VAL A 125 123.994 11.175 -7.130 1.00 0.00 C ATOM 2072 C VAL A 125 122.590 11.699 -6.796 1.00 0.00 C ATOM 2073 O VAL A 125 122.141 12.679 -7.361 1.00 0.00 O ATOM 2074 CB VAL A 125 125.089 12.124 -6.604 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.025 12.218 -5.074 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.479 11.602 -6.990 1.00 0.00 C ATOM 0 H VAL A 125 124.195 12.043 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 125 124.089 10.192 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 125 124.920 13.105 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.804 12.892 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.050 12.601 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.176 11.229 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.241 12.283 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.629 10.613 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.555 11.539 -8.075 1.00 0.00 H new ATOM 2086 N ILE A 126 121.913 11.041 -5.883 1.00 0.00 N ATOM 2087 CA ILE A 126 120.584 11.526 -5.392 1.00 0.00 C ATOM 2088 C ILE A 126 120.591 11.574 -3.860 1.00 0.00 C ATOM 2089 O ILE A 126 121.407 10.925 -3.229 1.00 0.00 O ATOM 2090 CB ILE A 126 119.531 10.534 -5.917 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.831 9.098 -5.458 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.507 10.574 -7.447 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.603 8.216 -5.695 1.00 0.00 C ATOM 0 H ILE A 126 122.232 10.174 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 126 120.361 12.532 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 126 118.562 10.829 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.687 8.702 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.097 9.091 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.761 9.871 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.255 11.581 -7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.488 10.299 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.818 7.198 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.759 8.608 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.357 8.213 -6.757 1.00 0.00 H new ATOM 2105 N LYS A 127 119.691 12.331 -3.275 1.00 0.00 N ATOM 2106 CA LYS A 127 119.677 12.505 -1.790 1.00 0.00 C ATOM 2107 C LYS A 127 118.471 11.784 -1.185 1.00 0.00 C ATOM 2108 O LYS A 127 117.383 11.840 -1.726 1.00 0.00 O ATOM 2109 CB LYS A 127 119.566 14.014 -1.569 1.00 0.00 C ATOM 2110 CG LYS A 127 120.857 14.697 -2.027 1.00 0.00 C ATOM 2111 CD LYS A 127 120.736 16.209 -1.822 1.00 0.00 C ATOM 2112 CE LYS A 127 120.820 16.532 -0.329 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.248 17.958 -0.269 1.00 0.00 N ATOM 0 H LYS A 127 118.959 12.840 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 127 120.566 12.088 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.716 14.411 -2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.385 14.225 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.706 14.310 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 127 121.045 14.476 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 127 121.531 16.724 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 127 119.791 16.567 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 127 119.857 16.387 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 127 121.536 15.883 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 121.328 18.255 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 122.170 18.064 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 120.544 18.552 -0.752 1.00 0.00 H new ATOM 2127 N ILE A 128 118.666 11.115 -0.071 1.00 0.00 N ATOM 2128 CA ILE A 128 117.531 10.446 0.642 1.00 0.00 C ATOM 2129 C ILE A 128 117.273 11.141 1.984 1.00 0.00 C ATOM 2130 O ILE A 128 118.203 11.487 2.695 1.00 0.00 O ATOM 2131 CB ILE A 128 117.932 8.972 0.834 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.259 8.842 1.598 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.075 8.305 -0.537 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.459 7.390 2.039 1.00 0.00 C ATOM 0 H ILE A 128 119.575 11.004 0.379 1.00 0.00 H new ATOM 0 HA ILE A 128 116.605 10.509 0.071 1.00 0.00 H new ATOM 0 HB ILE A 128 117.153 8.483 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.088 9.157 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.255 9.499 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.359 7.261 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.125 8.359 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.843 8.820 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.401 7.301 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.637 7.091 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.482 6.743 1.162 1.00 0.00 H new ATOM 2146 N LEU A 129 116.019 11.342 2.319 1.00 0.00 N ATOM 2147 CA LEU A 129 115.655 12.045 3.587 1.00 0.00 C ATOM 2148 C LEU A 129 115.048 11.051 4.581 1.00 0.00 C ATOM 2149 O LEU A 129 114.153 10.300 4.235 1.00 0.00 O ATOM 2150 CB LEU A 129 114.620 13.094 3.170 1.00 0.00 C ATOM 2151 CG LEU A 129 114.354 14.057 4.335 1.00 0.00 C ATOM 2152 CD1 LEU A 129 113.870 15.403 3.788 1.00 0.00 C ATOM 2153 CD2 LEU A 129 113.280 13.470 5.256 1.00 0.00 C ATOM 0 H LEU A 129 115.222 11.043 1.757 1.00 0.00 H new ATOM 0 HA LEU A 129 116.517 12.497 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 129 114.980 13.648 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.693 12.604 2.872 1.00 0.00 H new ATOM 0 HG LEU A 129 115.276 14.201 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 129 113.681 16.086 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 129 114.634 15.826 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 129 112.950 15.256 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 129 113.094 14.157 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.359 13.322 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 129 113.622 12.513 5.650 1.00 0.00 H new