USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -0.176 K(o=2.1,f=-3.7!) USER MOD Set 1.2: A 59 TYR OH : rot 165:sc= 1.02 USER MOD Set 1.3: A 76 LYS NZ :NH3+ -179:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.4) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0282) 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 -78:sc= -1.46 USER MOD Single : A 68 ASN : amide:sc= -2.1 K(o=-2.1,f=-5.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.137) USER MOD Single : A 86 ASN : amide:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00579) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.41) 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 -173:sc= -0.61 (180deg=-0.742) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= -0.816 (180deg=-0.891) USER MOD Single : A 117 GLN : amide:sc= -2.59 K(o=-2.6,f=-3.7!) USER MOD Single : A 119 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0154) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.302 13.861 6.788 1.00 0.00 N ATOM 95 CA ILE A 6 120.409 13.724 5.300 1.00 0.00 C ATOM 96 C ILE A 6 121.557 12.765 4.964 1.00 0.00 C ATOM 97 O ILE A 6 122.625 12.856 5.544 1.00 0.00 O ATOM 98 CB ILE A 6 120.718 15.136 4.756 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.693 16.186 5.241 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.734 15.119 3.221 1.00 0.00 C ATOM 101 CD1 ILE A 6 118.259 15.816 4.838 1.00 0.00 C ATOM 0 HA ILE A 6 119.494 13.327 4.860 1.00 0.00 H new ATOM 0 HB ILE A 6 121.698 15.419 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.753 16.278 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.947 17.161 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.953 16.120 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.500 14.426 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.760 14.799 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 6 117.571 16.581 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 6 118.192 15.750 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 6 117.995 14.854 5.277 1.00 0.00 H new ATOM 113 N ILE A 7 121.336 11.856 4.041 1.00 0.00 N ATOM 114 CA ILE A 7 122.452 10.995 3.526 1.00 0.00 C ATOM 115 C ILE A 7 122.436 11.012 1.991 1.00 0.00 C ATOM 116 O ILE A 7 121.386 11.119 1.386 1.00 0.00 O ATOM 117 CB ILE A 7 122.206 9.577 4.080 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.184 9.605 5.616 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.331 8.633 3.632 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.654 8.275 6.159 1.00 0.00 C ATOM 0 H ILE A 7 120.425 11.673 3.620 1.00 0.00 H new ATOM 0 HA ILE A 7 123.431 11.354 3.845 1.00 0.00 H new ATOM 0 HB ILE A 7 121.247 9.224 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.188 9.789 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.556 10.425 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.148 7.634 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.359 8.591 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.286 9.002 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.643 8.305 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.642 8.109 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.300 7.463 5.826 1.00 0.00 H new ATOM 132 N GLU A 8 123.593 10.908 1.377 1.00 0.00 N ATOM 133 CA GLU A 8 123.682 10.889 -0.117 1.00 0.00 C ATOM 134 C GLU A 8 124.089 9.495 -0.608 1.00 0.00 C ATOM 135 O GLU A 8 124.878 8.823 0.030 1.00 0.00 O ATOM 136 CB GLU A 8 124.764 11.913 -0.464 1.00 0.00 C ATOM 137 CG GLU A 8 124.275 13.320 -0.110 1.00 0.00 C ATOM 138 CD GLU A 8 125.305 14.357 -0.567 1.00 0.00 C ATOM 139 OE1 GLU A 8 126.484 14.127 -0.358 1.00 0.00 O ATOM 140 OE2 GLU A 8 124.894 15.364 -1.120 1.00 0.00 O ATOM 0 H GLU A 8 124.490 10.835 1.856 1.00 0.00 H new ATOM 0 HA GLU A 8 122.728 11.126 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.680 11.688 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 8 125.004 11.857 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.315 13.512 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.117 13.400 0.966 1.00 0.00 H new ATOM 147 N GLY A 9 123.553 9.073 -1.732 1.00 0.00 N ATOM 148 CA GLY A 9 123.907 7.739 -2.309 1.00 0.00 C ATOM 149 C GLY A 9 124.094 7.869 -3.823 1.00 0.00 C ATOM 150 O GLY A 9 123.490 8.723 -4.448 1.00 0.00 O ATOM 0 H GLY A 9 122.877 9.606 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.822 7.364 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.121 7.016 -2.090 1.00 0.00 H new ATOM 154 N GLU A 10 124.922 7.026 -4.402 1.00 0.00 N ATOM 155 CA GLU A 10 125.174 7.080 -5.875 1.00 0.00 C ATOM 156 C GLU A 10 124.470 5.915 -6.577 1.00 0.00 C ATOM 157 O GLU A 10 124.416 4.818 -6.053 1.00 0.00 O ATOM 158 CB GLU A 10 126.691 6.959 -6.034 1.00 0.00 C ATOM 159 CG GLU A 10 127.079 7.269 -7.481 1.00 0.00 C ATOM 160 CD GLU A 10 128.578 7.027 -7.673 1.00 0.00 C ATOM 161 OE1 GLU A 10 129.355 7.733 -7.052 1.00 0.00 O ATOM 162 OE2 GLU A 10 128.921 6.139 -8.435 1.00 0.00 O ATOM 0 H GLU A 10 125.437 6.297 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 10 124.793 8.000 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.194 7.648 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 10 127.016 5.954 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.508 6.640 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.834 8.304 -7.720 1.00 0.00 H new ATOM 169 N VAL A 11 123.938 6.159 -7.756 1.00 0.00 N ATOM 170 CA VAL A 11 123.226 5.087 -8.535 1.00 0.00 C ATOM 171 C VAL A 11 124.228 3.988 -8.925 1.00 0.00 C ATOM 172 O VAL A 11 125.216 4.267 -9.578 1.00 0.00 O ATOM 173 CB VAL A 11 122.652 5.766 -9.799 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.872 4.754 -10.650 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.699 6.911 -9.421 1.00 0.00 C ATOM 0 H VAL A 11 123.967 7.068 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 11 122.430 4.625 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 11 123.495 6.160 -10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.476 5.252 -11.535 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.537 3.946 -10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 11 121.048 4.345 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.308 7.373 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.873 6.516 -8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.239 7.657 -8.838 1.00 0.00 H new ATOM 185 N VAL A 12 123.968 2.764 -8.528 1.00 0.00 N ATOM 186 CA VAL A 12 124.855 1.618 -8.914 1.00 0.00 C ATOM 187 C VAL A 12 124.027 0.502 -9.561 1.00 0.00 C ATOM 188 O VAL A 12 122.868 0.322 -9.230 1.00 0.00 O ATOM 189 CB VAL A 12 125.529 1.129 -7.619 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.418 2.239 -7.053 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.490 0.733 -6.560 1.00 0.00 C ATOM 0 H VAL A 12 123.170 2.507 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 12 125.605 1.922 -9.645 1.00 0.00 H new ATOM 0 HB VAL A 12 126.126 0.251 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.895 1.892 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.184 2.500 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.810 3.117 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 12 125.000 0.393 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.868 1.595 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.864 -0.070 -6.948 1.00 0.00 H new ATOM 201 N SER A 13 124.620 -0.236 -10.472 1.00 0.00 N ATOM 202 CA SER A 13 123.893 -1.354 -11.155 1.00 0.00 C ATOM 203 C SER A 13 124.005 -2.639 -10.329 1.00 0.00 C ATOM 204 O SER A 13 125.077 -3.205 -10.209 1.00 0.00 O ATOM 205 CB SER A 13 124.583 -1.532 -12.511 1.00 0.00 C ATOM 206 OG SER A 13 123.877 -2.502 -13.272 1.00 0.00 O ATOM 0 H SER A 13 125.586 -0.109 -10.774 1.00 0.00 H new ATOM 0 HA SER A 13 122.832 -1.134 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 13 124.610 -0.583 -13.046 1.00 0.00 H new ATOM 0 HB3 SER A 13 125.617 -1.847 -12.368 1.00 0.00 H new ATOM 0 HG SER A 13 124.315 -2.618 -14.141 1.00 0.00 H new ATOM 486 N PHE A 31 103.145 -5.033 0.767 1.00 0.00 N ATOM 487 CA PHE A 31 103.739 -3.687 0.469 1.00 0.00 C ATOM 488 C PHE A 31 102.677 -2.590 0.615 1.00 0.00 C ATOM 489 O PHE A 31 102.935 -1.560 1.208 1.00 0.00 O ATOM 490 CB PHE A 31 104.259 -3.753 -0.976 1.00 0.00 C ATOM 491 CG PHE A 31 105.693 -4.220 -1.088 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.709 -3.633 -0.269 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.036 -5.247 -2.021 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.063 -4.075 -0.381 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.391 -5.690 -2.132 1.00 0.00 C ATOM 496 CZ PHE A 31 108.405 -5.103 -1.313 1.00 0.00 C ATOM 0 HA PHE A 31 104.544 -3.446 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.622 -4.425 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.172 -2.765 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.452 -2.855 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.271 -5.689 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.828 -3.632 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 31 107.648 -6.468 -2.835 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.429 -5.436 -1.399 1.00 0.00 H new ATOM 506 N LYS A 32 101.497 -2.815 0.082 1.00 0.00 N ATOM 507 CA LYS A 32 100.396 -1.798 0.182 1.00 0.00 C ATOM 508 C LYS A 32 99.953 -1.617 1.638 1.00 0.00 C ATOM 509 O LYS A 32 99.524 -0.543 2.019 1.00 0.00 O ATOM 510 CB LYS A 32 99.236 -2.330 -0.666 1.00 0.00 C ATOM 511 CG LYS A 32 98.184 -1.233 -0.844 1.00 0.00 C ATOM 512 CD LYS A 32 97.019 -1.773 -1.677 1.00 0.00 C ATOM 513 CE LYS A 32 96.022 -0.645 -1.951 1.00 0.00 C ATOM 514 NZ LYS A 32 94.787 -1.332 -2.424 1.00 0.00 N ATOM 0 H LYS A 32 101.247 -3.666 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 32 100.733 -0.824 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.603 -2.657 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.790 -3.201 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.825 -0.898 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.626 -0.367 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 32 97.389 -2.182 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 32 96.526 -2.588 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 32 95.829 -0.061 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 32 96.403 0.045 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.054 -0.624 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 95.000 -1.875 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 94.444 -1.977 -1.684 1.00 0.00 H new ATOM 528 N LYS A 33 100.048 -2.656 2.437 1.00 0.00 N ATOM 529 CA LYS A 33 99.695 -2.541 3.890 1.00 0.00 C ATOM 530 C LYS A 33 100.715 -1.667 4.626 1.00 0.00 C ATOM 531 O LYS A 33 100.344 -0.868 5.469 1.00 0.00 O ATOM 532 CB LYS A 33 99.701 -3.967 4.453 1.00 0.00 C ATOM 533 CG LYS A 33 99.096 -3.968 5.858 1.00 0.00 C ATOM 534 CD LYS A 33 99.162 -5.380 6.442 1.00 0.00 C ATOM 535 CE LYS A 33 98.419 -5.415 7.780 1.00 0.00 C ATOM 536 NZ LYS A 33 98.184 -6.861 8.051 1.00 0.00 N ATOM 0 H LYS A 33 100.356 -3.583 2.143 1.00 0.00 H new ATOM 0 HA LYS A 33 98.720 -2.071 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.131 -4.629 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.720 -4.352 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.638 -3.272 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 33 98.061 -3.627 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 33 98.717 -6.093 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 100.201 -5.678 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 33 99.010 -4.956 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 33 97.479 -4.866 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 97.678 -6.967 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 97.613 -7.270 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 99.097 -7.357 8.105 1.00 0.00 H new ATOM 550 N ILE A 34 101.984 -1.817 4.313 1.00 0.00 N ATOM 551 CA ILE A 34 103.053 -1.071 5.055 1.00 0.00 C ATOM 552 C ILE A 34 103.166 0.356 4.497 1.00 0.00 C ATOM 553 O ILE A 34 103.390 1.292 5.244 1.00 0.00 O ATOM 554 CB ILE A 34 104.366 -1.853 4.849 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.222 -3.300 5.341 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.505 -1.194 5.639 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.371 -4.142 4.786 1.00 0.00 C ATOM 0 H ILE A 34 102.325 -2.428 3.571 1.00 0.00 H new ATOM 0 HA ILE A 34 102.825 -0.990 6.118 1.00 0.00 H new ATOM 0 HB ILE A 34 104.590 -1.846 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.230 -3.328 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.266 -3.712 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.427 -1.755 5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.642 -0.169 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.256 -1.189 6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.270 -5.170 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.342 -4.124 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.321 -3.734 5.131 1.00 0.00 H new ATOM 569 N LEU A 35 103.009 0.514 3.203 1.00 0.00 N ATOM 570 CA LEU A 35 103.221 1.844 2.552 1.00 0.00 C ATOM 571 C LEU A 35 101.890 2.519 2.198 1.00 0.00 C ATOM 572 O LEU A 35 101.821 3.733 2.121 1.00 0.00 O ATOM 573 CB LEU A 35 103.996 1.539 1.270 1.00 0.00 C ATOM 574 CG LEU A 35 105.391 1.011 1.609 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.975 0.315 0.378 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.294 2.177 2.014 1.00 0.00 C ATOM 0 H LEU A 35 102.739 -0.233 2.563 1.00 0.00 H new ATOM 0 HA LEU A 35 103.749 2.526 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.455 0.803 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.078 2.440 0.663 1.00 0.00 H new ATOM 0 HG LEU A 35 105.326 0.303 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.970 -0.064 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.330 -0.514 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.042 1.027 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.288 1.801 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.365 2.886 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.873 2.677 2.887 1.00 0.00 H new ATOM 588 N GLY A 36 100.848 1.747 1.988 1.00 0.00 N ATOM 589 CA GLY A 36 99.561 2.305 1.473 1.00 0.00 C ATOM 590 C GLY A 36 99.576 2.431 -0.059 1.00 0.00 C ATOM 591 O GLY A 36 98.723 3.105 -0.611 1.00 0.00 O ATOM 0 H GLY A 36 100.838 0.741 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.736 1.662 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.383 3.284 1.918 1.00 0.00 H new ATOM 595 N PHE A 37 100.516 1.807 -0.747 1.00 0.00 N ATOM 596 CA PHE A 37 100.446 1.725 -2.239 1.00 0.00 C ATOM 597 C PHE A 37 101.167 0.471 -2.747 1.00 0.00 C ATOM 598 O PHE A 37 101.943 -0.131 -2.026 1.00 0.00 O ATOM 599 CB PHE A 37 101.115 3.006 -2.758 1.00 0.00 C ATOM 600 CG PHE A 37 102.583 3.148 -2.419 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.558 2.357 -3.105 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.000 4.086 -1.424 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.945 2.503 -2.797 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.388 4.231 -1.114 1.00 0.00 C ATOM 605 CZ PHE A 37 105.361 3.439 -1.800 1.00 0.00 C ATOM 0 H PHE A 37 101.328 1.352 -0.331 1.00 0.00 H new ATOM 0 HA PHE A 37 99.418 1.648 -2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.004 3.042 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.580 3.866 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.245 1.648 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.266 4.685 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.679 1.906 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.702 4.939 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.409 3.548 -1.565 1.00 0.00 H new ATOM 615 N GLU A 38 100.910 0.089 -3.977 1.00 0.00 N ATOM 616 CA GLU A 38 101.610 -1.085 -4.586 1.00 0.00 C ATOM 617 C GLU A 38 102.830 -0.607 -5.394 1.00 0.00 C ATOM 618 O GLU A 38 102.640 -0.022 -6.444 1.00 0.00 O ATOM 619 CB GLU A 38 100.578 -1.731 -5.515 1.00 0.00 C ATOM 620 CG GLU A 38 99.596 -2.562 -4.688 1.00 0.00 C ATOM 621 CD GLU A 38 98.501 -3.116 -5.602 1.00 0.00 C ATOM 622 OE1 GLU A 38 97.755 -2.320 -6.150 1.00 0.00 O ATOM 623 OE2 GLU A 38 98.425 -4.326 -5.736 1.00 0.00 O ATOM 0 H GLU A 38 100.237 0.548 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 38 101.973 -1.785 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.042 -0.962 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 101.079 -2.364 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 100.121 -3.380 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 38 99.154 -1.948 -3.904 1.00 0.00 H new ATOM 630 N PRO A 39 104.038 -0.854 -4.906 1.00 0.00 N ATOM 631 CA PRO A 39 105.259 -0.350 -5.610 1.00 0.00 C ATOM 632 C PRO A 39 105.434 -1.061 -6.956 1.00 0.00 C ATOM 633 O PRO A 39 104.891 -2.132 -7.164 1.00 0.00 O ATOM 634 CB PRO A 39 106.391 -0.706 -4.648 1.00 0.00 C ATOM 635 CG PRO A 39 105.871 -1.898 -3.926 1.00 0.00 C ATOM 636 CD PRO A 39 104.420 -1.605 -3.691 1.00 0.00 C ATOM 0 HA PRO A 39 105.218 0.715 -5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.315 -0.931 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.609 0.114 -3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 39 106.000 -2.805 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.400 -2.052 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.836 -2.518 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.267 -1.016 -2.787 1.00 0.00 H new ATOM 644 N TYR A 40 106.187 -0.468 -7.855 1.00 0.00 N ATOM 645 CA TYR A 40 106.404 -1.081 -9.208 1.00 0.00 C ATOM 646 C TYR A 40 107.356 -2.274 -9.093 1.00 0.00 C ATOM 647 O TYR A 40 108.061 -2.408 -8.106 1.00 0.00 O ATOM 648 CB TYR A 40 107.036 0.010 -10.078 1.00 0.00 C ATOM 649 CG TYR A 40 107.183 -0.385 -11.528 1.00 0.00 C ATOM 650 CD1 TYR A 40 108.377 -1.033 -11.974 1.00 0.00 C ATOM 651 CD2 TYR A 40 106.129 -0.114 -12.453 1.00 0.00 C ATOM 652 CE1 TYR A 40 108.517 -1.408 -13.345 1.00 0.00 C ATOM 653 CE2 TYR A 40 106.269 -0.488 -13.826 1.00 0.00 C ATOM 654 CZ TYR A 40 107.463 -1.136 -14.272 1.00 0.00 C ATOM 655 OH TYR A 40 107.599 -1.498 -15.597 1.00 0.00 O ATOM 0 H TYR A 40 106.664 0.421 -7.708 1.00 0.00 H new ATOM 0 HA TYR A 40 105.469 -1.440 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.427 0.912 -10.015 1.00 0.00 H new ATOM 0 HB3 TYR A 40 108.018 0.260 -9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 40 109.173 -1.239 -11.274 1.00 0.00 H new ATOM 0 HD2 TYR A 40 105.226 0.373 -12.115 1.00 0.00 H new ATOM 0 HE1 TYR A 40 109.419 -1.897 -13.682 1.00 0.00 H new ATOM 0 HE2 TYR A 40 105.473 -0.281 -14.526 1.00 0.00 H new ATOM 0 HH TYR A 40 106.792 -1.242 -16.091 1.00 0.00 H new ATOM 665 N GLU A 41 107.379 -3.127 -10.093 1.00 0.00 N ATOM 666 CA GLU A 41 108.293 -4.315 -10.060 1.00 0.00 C ATOM 667 C GLU A 41 109.713 -3.886 -10.460 1.00 0.00 C ATOM 668 O GLU A 41 110.143 -4.075 -11.586 1.00 0.00 O ATOM 669 CB GLU A 41 107.713 -5.314 -11.069 1.00 0.00 C ATOM 670 CG GLU A 41 106.357 -5.820 -10.569 1.00 0.00 C ATOM 671 CD GLU A 41 105.807 -6.866 -11.541 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.571 -7.722 -11.959 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.629 -6.795 -11.852 1.00 0.00 O ATOM 0 H GLU A 41 106.803 -3.051 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 41 108.360 -4.759 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.598 -4.838 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.398 -6.151 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.464 -6.254 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.658 -4.989 -10.480 1.00 0.00 H new ATOM 680 N GLY A 42 110.432 -3.302 -9.526 1.00 0.00 N ATOM 681 CA GLY A 42 111.860 -2.925 -9.762 1.00 0.00 C ATOM 682 C GLY A 42 112.437 -2.299 -8.490 1.00 0.00 C ATOM 683 O GLY A 42 111.709 -2.043 -7.545 1.00 0.00 O ATOM 0 H GLY A 42 110.081 -3.069 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.439 -3.805 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.930 -2.221 -10.591 1.00 0.00 H new ATOM 687 N THR A 43 113.727 -2.059 -8.467 1.00 0.00 N ATOM 688 CA THR A 43 114.373 -1.420 -7.277 1.00 0.00 C ATOM 689 C THR A 43 115.398 -0.369 -7.712 1.00 0.00 C ATOM 690 O THR A 43 115.899 -0.405 -8.821 1.00 0.00 O ATOM 691 CB THR A 43 115.071 -2.547 -6.507 1.00 0.00 C ATOM 692 OG1 THR A 43 115.667 -3.472 -7.409 1.00 0.00 O ATOM 693 CG2 THR A 43 114.056 -3.269 -5.620 1.00 0.00 C ATOM 0 H THR A 43 114.366 -2.281 -9.230 1.00 0.00 H new ATOM 0 HA THR A 43 113.632 -0.912 -6.660 1.00 0.00 H new ATOM 0 HB THR A 43 115.854 -2.114 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 43 116.110 -4.184 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.555 -4.070 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.623 -2.562 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.266 -3.691 -6.241 1.00 0.00 H new ATOM 701 N LEU A 44 115.696 0.559 -6.834 1.00 0.00 N ATOM 702 CA LEU A 44 116.831 1.503 -7.051 1.00 0.00 C ATOM 703 C LEU A 44 117.940 1.172 -6.050 1.00 0.00 C ATOM 704 O LEU A 44 117.738 1.281 -4.854 1.00 0.00 O ATOM 705 CB LEU A 44 116.244 2.894 -6.786 1.00 0.00 C ATOM 706 CG LEU A 44 117.289 3.978 -7.067 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.545 4.072 -8.572 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.775 5.325 -6.554 1.00 0.00 C ATOM 0 H LEU A 44 115.189 0.702 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 44 117.262 1.443 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.369 3.052 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.909 2.963 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 44 118.219 3.722 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.289 4.844 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.912 3.114 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.617 4.325 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.518 6.098 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.844 5.577 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.597 5.261 -5.481 1.00 0.00 H new ATOM 720 N ASN A 45 119.092 0.772 -6.535 1.00 0.00 N ATOM 721 CA ASN A 45 120.205 0.360 -5.628 1.00 0.00 C ATOM 722 C ASN A 45 121.200 1.511 -5.463 1.00 0.00 C ATOM 723 O ASN A 45 121.756 1.991 -6.435 1.00 0.00 O ATOM 724 CB ASN A 45 120.872 -0.826 -6.328 1.00 0.00 C ATOM 725 CG ASN A 45 120.014 -2.079 -6.147 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.855 -2.092 -6.507 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.540 -3.139 -5.598 1.00 0.00 N ATOM 0 H ASN A 45 119.308 0.714 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 45 119.850 0.097 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.999 -0.610 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.867 -0.992 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.977 -3.980 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.514 -3.127 -5.296 1.00 0.00 H new ATOM 734 N LEU A 46 121.418 1.946 -4.243 1.00 0.00 N ATOM 735 CA LEU A 46 122.348 3.089 -3.984 1.00 0.00 C ATOM 736 C LEU A 46 123.492 2.656 -3.064 1.00 0.00 C ATOM 737 O LEU A 46 123.274 1.973 -2.079 1.00 0.00 O ATOM 738 CB LEU A 46 121.493 4.164 -3.309 1.00 0.00 C ATOM 739 CG LEU A 46 120.576 4.817 -4.346 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.523 5.666 -3.633 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.406 5.713 -5.270 1.00 0.00 C ATOM 0 H LEU A 46 120.985 1.552 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 46 122.806 3.453 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.898 3.721 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.133 4.917 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 46 120.084 4.041 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.870 6.131 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.931 5.032 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 46 120.017 6.441 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.753 6.178 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.897 6.488 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.159 5.112 -5.779 1.00 0.00 H new ATOM 753 N LYS A 47 124.699 3.055 -3.395 1.00 0.00 N ATOM 754 CA LYS A 47 125.868 2.819 -2.495 1.00 0.00 C ATOM 755 C LYS A 47 126.113 4.072 -1.649 1.00 0.00 C ATOM 756 O LYS A 47 126.144 5.170 -2.173 1.00 0.00 O ATOM 757 CB LYS A 47 127.051 2.559 -3.433 1.00 0.00 C ATOM 758 CG LYS A 47 128.275 2.129 -2.620 1.00 0.00 C ATOM 759 CD LYS A 47 129.488 2.024 -3.547 1.00 0.00 C ATOM 760 CE LYS A 47 130.680 1.464 -2.768 1.00 0.00 C ATOM 761 NZ LYS A 47 131.254 2.637 -2.049 1.00 0.00 N ATOM 0 H LYS A 47 124.923 3.541 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 47 125.713 1.985 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.791 1.784 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.280 3.460 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.471 2.851 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.087 1.169 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.257 1.377 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.734 3.005 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.366 0.688 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 131.413 1.014 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.144 2.360 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 131.440 3.403 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 130.579 2.968 -1.330 1.00 0.00 H new ATOM 775 N LEU A 48 126.281 3.901 -0.358 1.00 0.00 N ATOM 776 CA LEU A 48 126.445 5.066 0.563 1.00 0.00 C ATOM 777 C LEU A 48 127.875 5.122 1.105 1.00 0.00 C ATOM 778 O LEU A 48 128.587 4.135 1.080 1.00 0.00 O ATOM 779 CB LEU A 48 125.464 4.827 1.713 1.00 0.00 C ATOM 780 CG LEU A 48 124.023 4.873 1.200 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.079 4.368 2.293 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.653 6.313 0.838 1.00 0.00 C ATOM 0 H LEU A 48 126.311 2.990 0.100 1.00 0.00 H new ATOM 0 HA LEU A 48 126.253 6.008 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.662 3.859 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.607 5.583 2.485 1.00 0.00 H new ATOM 0 HG LEU A 48 123.933 4.242 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.052 4.400 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.340 3.342 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.172 5.002 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.626 6.344 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.743 6.945 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.326 6.677 0.061 1.00 0.00 H new ATOM 794 N ASP A 49 128.282 6.273 1.590 1.00 0.00 N ATOM 795 CA ASP A 49 129.600 6.393 2.292 1.00 0.00 C ATOM 796 C ASP A 49 129.474 6.122 3.804 1.00 0.00 C ATOM 797 O ASP A 49 130.394 6.408 4.549 1.00 0.00 O ATOM 798 CB ASP A 49 130.094 7.826 2.022 1.00 0.00 C ATOM 799 CG ASP A 49 129.121 8.875 2.580 1.00 0.00 C ATOM 800 OD1 ASP A 49 127.961 8.840 2.203 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.556 9.693 3.374 1.00 0.00 O ATOM 0 H ASP A 49 127.751 7.142 1.528 1.00 0.00 H new ATOM 0 HA ASP A 49 130.306 5.650 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.076 7.964 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.213 7.974 0.949 1.00 0.00 H new ATOM 806 N ARG A 50 128.358 5.583 4.256 1.00 0.00 N ATOM 807 CA ARG A 50 128.147 5.334 5.715 1.00 0.00 C ATOM 808 C ARG A 50 127.330 4.052 5.899 1.00 0.00 C ATOM 809 O ARG A 50 126.405 3.799 5.146 1.00 0.00 O ATOM 810 CB ARG A 50 127.356 6.542 6.224 1.00 0.00 C ATOM 811 CG ARG A 50 128.212 7.808 6.142 1.00 0.00 C ATOM 812 CD ARG A 50 127.455 8.976 6.782 1.00 0.00 C ATOM 813 NE ARG A 50 128.284 10.198 6.517 1.00 0.00 N ATOM 814 CZ ARG A 50 127.772 11.413 6.477 1.00 0.00 C ATOM 815 NH1 ARG A 50 126.500 11.663 6.688 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.568 12.414 6.226 1.00 0.00 N ATOM 0 H ARG A 50 127.577 5.303 3.662 1.00 0.00 H new ATOM 0 HA ARG A 50 129.086 5.212 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.450 6.668 5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 50 127.042 6.373 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.162 7.652 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.444 8.037 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.459 9.079 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.324 8.817 7.852 1.00 0.00 H new ATOM 0 HE ARG A 50 129.286 10.085 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 50 125.857 10.898 6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 50 126.155 12.622 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.562 12.248 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 50 128.197 13.364 6.189 1.00 0.00 H new ATOM 830 N GLU A 51 127.668 3.254 6.888 1.00 0.00 N ATOM 831 CA GLU A 51 126.891 1.996 7.168 1.00 0.00 C ATOM 832 C GLU A 51 125.446 2.330 7.566 1.00 0.00 C ATOM 833 O GLU A 51 125.198 3.347 8.189 1.00 0.00 O ATOM 834 CB GLU A 51 127.623 1.264 8.309 1.00 0.00 C ATOM 835 CG GLU A 51 127.735 2.145 9.561 1.00 0.00 C ATOM 836 CD GLU A 51 128.137 1.283 10.759 1.00 0.00 C ATOM 837 OE1 GLU A 51 127.554 0.223 10.923 1.00 0.00 O ATOM 838 OE2 GLU A 51 129.019 1.696 11.491 1.00 0.00 O ATOM 0 H GLU A 51 128.453 3.420 7.518 1.00 0.00 H new ATOM 0 HA GLU A 51 126.836 1.365 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 127.089 0.346 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 128.620 0.974 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.474 2.930 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 126.783 2.638 9.758 1.00 0.00 H new ATOM 845 N PHE A 52 124.510 1.478 7.209 1.00 0.00 N ATOM 846 CA PHE A 52 123.072 1.732 7.529 1.00 0.00 C ATOM 847 C PHE A 52 122.424 0.482 8.130 1.00 0.00 C ATOM 848 O PHE A 52 122.646 -0.620 7.662 1.00 0.00 O ATOM 849 CB PHE A 52 122.421 2.085 6.190 1.00 0.00 C ATOM 850 CG PHE A 52 120.967 2.477 6.313 1.00 0.00 C ATOM 851 CD1 PHE A 52 120.613 3.829 6.619 1.00 0.00 C ATOM 852 CD2 PHE A 52 119.946 1.495 6.130 1.00 0.00 C ATOM 853 CE1 PHE A 52 119.237 4.196 6.741 1.00 0.00 C ATOM 854 CE2 PHE A 52 118.570 1.863 6.251 1.00 0.00 C ATOM 855 CZ PHE A 52 118.215 3.214 6.557 1.00 0.00 C ATOM 0 H PHE A 52 124.687 0.609 6.704 1.00 0.00 H new ATOM 0 HA PHE A 52 122.953 2.529 8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.973 2.905 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.503 1.231 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 52 121.385 4.572 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 52 120.214 0.474 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 52 118.969 5.216 6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 52 117.798 1.120 6.111 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.175 3.492 6.649 1.00 0.00 H new ATOM 865 N ASP A 53 121.631 0.662 9.163 1.00 0.00 N ATOM 866 CA ASP A 53 120.853 -0.469 9.754 1.00 0.00 C ATOM 867 C ASP A 53 119.433 -0.001 10.090 1.00 0.00 C ATOM 868 O ASP A 53 119.259 0.988 10.778 1.00 0.00 O ATOM 869 CB ASP A 53 121.612 -0.850 11.026 1.00 0.00 C ATOM 870 CG ASP A 53 121.070 -2.174 11.570 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.860 -2.321 11.623 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.875 -3.020 11.923 1.00 0.00 O ATOM 0 H ASP A 53 121.490 1.560 9.626 1.00 0.00 H new ATOM 0 HA ASP A 53 120.759 -1.314 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.677 -0.942 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.503 -0.066 11.775 1.00 0.00 H new ATOM 877 N ILE A 54 118.435 -0.708 9.608 1.00 0.00 N ATOM 878 CA ILE A 54 117.010 -0.307 9.865 1.00 0.00 C ATOM 879 C ILE A 54 116.671 -0.391 11.367 1.00 0.00 C ATOM 880 O ILE A 54 115.762 0.279 11.822 1.00 0.00 O ATOM 881 CB ILE A 54 116.137 -1.249 9.011 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.660 -0.853 9.139 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.317 -2.709 9.445 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.861 -1.429 7.969 1.00 0.00 C ATOM 0 H ILE A 54 118.547 -1.551 9.044 1.00 0.00 H new ATOM 0 HA ILE A 54 116.829 0.731 9.587 1.00 0.00 H new ATOM 0 HB ILE A 54 116.452 -1.155 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.257 -1.222 10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.566 0.233 9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.690 -3.352 8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.361 -2.998 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 116.027 -2.816 10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.814 -1.143 8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.257 -1.039 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.942 -2.516 7.973 1.00 0.00 H new ATOM 896 N ASN A 55 117.388 -1.199 12.121 1.00 0.00 N ATOM 897 CA ASN A 55 117.105 -1.332 13.590 1.00 0.00 C ATOM 898 C ASN A 55 117.551 -0.089 14.379 1.00 0.00 C ATOM 899 O ASN A 55 117.331 -0.026 15.576 1.00 0.00 O ATOM 900 CB ASN A 55 117.882 -2.565 14.068 1.00 0.00 C ATOM 901 CG ASN A 55 117.327 -3.821 13.392 1.00 0.00 C ATOM 902 OD1 ASN A 55 116.134 -3.944 13.196 1.00 0.00 O ATOM 903 ND2 ASN A 55 118.149 -4.765 13.025 1.00 0.00 N ATOM 0 H ASN A 55 118.159 -1.773 11.780 1.00 0.00 H new ATOM 0 HA ASN A 55 116.033 -1.433 13.757 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.941 -2.452 13.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.803 -2.659 15.151 1.00 0.00 H new ATOM 0 HD21 ASN A 55 117.790 -5.606 12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 55 119.150 -4.662 13.189 1.00 0.00 H new ATOM 910 N LYS A 56 118.169 0.882 13.738 1.00 0.00 N ATOM 911 CA LYS A 56 118.439 2.197 14.406 1.00 0.00 C ATOM 912 C LYS A 56 117.293 3.196 14.169 1.00 0.00 C ATOM 913 O LYS A 56 117.228 4.210 14.841 1.00 0.00 O ATOM 914 CB LYS A 56 119.741 2.715 13.786 1.00 0.00 C ATOM 915 CG LYS A 56 120.901 1.805 14.198 1.00 0.00 C ATOM 916 CD LYS A 56 122.215 2.377 13.664 1.00 0.00 C ATOM 917 CE LYS A 56 123.358 1.411 13.976 1.00 0.00 C ATOM 918 NZ LYS A 56 124.579 2.263 14.028 1.00 0.00 N ATOM 0 H LYS A 56 118.499 0.817 12.775 1.00 0.00 H new ATOM 0 HA LYS A 56 118.520 2.078 15.486 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.654 2.741 12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.932 3.736 14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.943 1.722 15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.745 0.800 13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.143 2.537 12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.412 3.348 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.194 0.898 14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.446 0.642 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 125.407 1.670 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.714 2.733 13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.470 2.981 14.772 1.00 0.00 H new ATOM 932 N PHE A 57 116.403 2.925 13.236 1.00 0.00 N ATOM 933 CA PHE A 57 115.192 3.783 13.043 1.00 0.00 C ATOM 934 C PHE A 57 113.937 2.976 13.387 1.00 0.00 C ATOM 935 O PHE A 57 114.023 1.792 13.664 1.00 0.00 O ATOM 936 CB PHE A 57 115.186 4.173 11.562 1.00 0.00 C ATOM 937 CG PHE A 57 116.435 4.893 11.108 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.511 6.317 11.185 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.543 4.144 10.602 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.695 6.993 10.756 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.727 4.820 10.173 1.00 0.00 C ATOM 942 CZ PHE A 57 118.803 6.245 10.250 1.00 0.00 C ATOM 0 H PHE A 57 116.469 2.135 12.594 1.00 0.00 H new ATOM 0 HA PHE A 57 115.207 4.665 13.683 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.060 3.273 10.961 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.322 4.809 11.368 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.674 6.883 11.567 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.485 3.067 10.544 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.753 8.070 10.814 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.564 4.254 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.697 6.757 9.926 1.00 0.00 H new ATOM 952 N LYS A 58 112.786 3.610 13.367 1.00 0.00 N ATOM 953 CA LYS A 58 111.512 2.909 13.724 1.00 0.00 C ATOM 954 C LYS A 58 110.859 2.335 12.462 1.00 0.00 C ATOM 955 O LYS A 58 110.239 3.058 11.702 1.00 0.00 O ATOM 956 CB LYS A 58 110.617 3.977 14.355 1.00 0.00 C ATOM 957 CG LYS A 58 111.218 4.429 15.688 1.00 0.00 C ATOM 958 CD LYS A 58 110.262 5.406 16.375 1.00 0.00 C ATOM 959 CE LYS A 58 110.916 5.952 17.646 1.00 0.00 C ATOM 960 NZ LYS A 58 109.815 6.629 18.385 1.00 0.00 N ATOM 0 H LYS A 58 112.676 4.592 13.116 1.00 0.00 H new ATOM 0 HA LYS A 58 111.681 2.076 14.407 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.519 4.828 13.681 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.615 3.579 14.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.396 3.566 16.330 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.184 4.906 15.520 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.015 6.225 15.700 1.00 0.00 H new ATOM 0 HD3 LYS A 58 109.327 4.903 16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 58 111.355 5.150 18.240 1.00 0.00 H new ATOM 0 HE3 LYS A 58 111.719 6.649 17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 110.186 7.030 19.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 109.421 7.392 17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 109.068 5.939 18.604 1.00 0.00 H new ATOM 974 N TYR A 59 111.000 1.046 12.250 1.00 0.00 N ATOM 975 CA TYR A 59 110.434 0.392 11.030 1.00 0.00 C ATOM 976 C TYR A 59 109.238 -0.497 11.400 1.00 0.00 C ATOM 977 O TYR A 59 108.908 -0.637 12.564 1.00 0.00 O ATOM 978 CB TYR A 59 111.599 -0.425 10.446 1.00 0.00 C ATOM 979 CG TYR A 59 112.050 -1.597 11.296 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.049 -1.415 12.304 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.470 -2.887 11.092 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.465 -2.523 13.105 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.888 -3.994 11.892 1.00 0.00 C ATOM 984 CZ TYR A 59 112.885 -3.813 12.899 1.00 0.00 C ATOM 985 OH TYR A 59 113.287 -4.882 13.673 1.00 0.00 O ATOM 0 H TYR A 59 111.491 0.413 12.881 1.00 0.00 H new ATOM 0 HA TYR A 59 110.052 1.112 10.306 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.305 -0.799 9.465 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.448 0.241 10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.488 -0.441 12.459 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.715 -3.025 10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.218 -2.385 13.867 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.450 -4.969 11.735 1.00 0.00 H new ATOM 0 HH TYR A 59 112.643 -5.615 13.579 1.00 0.00 H new ATOM 995 N ILE A 60 108.603 -1.085 10.413 1.00 0.00 N ATOM 996 CA ILE A 60 107.500 -2.063 10.671 1.00 0.00 C ATOM 997 C ILE A 60 107.989 -3.458 10.262 1.00 0.00 C ATOM 998 O ILE A 60 108.495 -3.637 9.168 1.00 0.00 O ATOM 999 CB ILE A 60 106.312 -1.603 9.803 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.883 -0.183 10.192 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.113 -2.539 10.004 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.970 0.394 9.108 1.00 0.00 C ATOM 0 H ILE A 60 108.806 -0.925 9.426 1.00 0.00 H new ATOM 0 HA ILE A 60 107.202 -2.107 11.719 1.00 0.00 H new ATOM 0 HB ILE A 60 106.631 -1.622 8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.362 -0.199 11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.761 0.451 10.318 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.281 -2.203 9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.391 -3.553 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.814 -2.527 11.052 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.667 1.403 9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.506 0.425 8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.086 -0.235 9.004 1.00 0.00 H new ATOM 1014 N GLU A 61 107.841 -4.428 11.135 1.00 0.00 N ATOM 1015 CA GLU A 61 108.310 -5.815 10.838 1.00 0.00 C ATOM 1016 C GLU A 61 107.116 -6.728 10.543 1.00 0.00 C ATOM 1017 O GLU A 61 106.083 -6.619 11.182 1.00 0.00 O ATOM 1018 CB GLU A 61 109.022 -6.268 12.113 1.00 0.00 C ATOM 1019 CG GLU A 61 109.932 -7.460 11.801 1.00 0.00 C ATOM 1020 CD GLU A 61 109.119 -8.755 11.836 1.00 0.00 C ATOM 1021 OE1 GLU A 61 108.330 -8.915 12.753 1.00 0.00 O ATOM 1022 OE2 GLU A 61 109.301 -9.569 10.944 1.00 0.00 O ATOM 0 H GLU A 61 107.409 -4.313 12.052 1.00 0.00 H new ATOM 0 HA GLU A 61 108.962 -5.852 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.610 -5.447 12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.290 -6.546 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 61 110.389 -7.333 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.744 -7.510 12.527 1.00 0.00 H new ATOM 1029 N THR A 62 107.258 -7.616 9.584 1.00 0.00 N ATOM 1030 CA THR A 62 106.165 -8.584 9.257 1.00 0.00 C ATOM 1031 C THR A 62 106.630 -10.023 9.507 1.00 0.00 C ATOM 1032 O THR A 62 107.720 -10.400 9.120 1.00 0.00 O ATOM 1033 CB THR A 62 105.869 -8.360 7.774 1.00 0.00 C ATOM 1034 OG1 THR A 62 107.079 -8.427 7.035 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.224 -6.986 7.588 1.00 0.00 C ATOM 0 H THR A 62 108.095 -7.710 9.009 1.00 0.00 H new ATOM 0 HA THR A 62 105.281 -8.431 9.876 1.00 0.00 H new ATOM 0 HB THR A 62 105.186 -9.131 7.416 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.571 -7.586 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 62 105.012 -6.824 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.295 -6.940 8.156 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.905 -6.213 7.944 1.00 0.00 H new ATOM 1043 N GLU A 63 105.792 -10.812 10.143 1.00 0.00 N ATOM 1044 CA GLU A 63 106.208 -12.167 10.634 1.00 0.00 C ATOM 1045 C GLU A 63 106.294 -13.180 9.483 1.00 0.00 C ATOM 1046 O GLU A 63 105.913 -12.886 8.365 1.00 0.00 O ATOM 1047 CB GLU A 63 105.161 -12.600 11.676 1.00 0.00 C ATOM 1048 CG GLU A 63 103.753 -12.660 11.067 1.00 0.00 C ATOM 1049 CD GLU A 63 102.849 -13.517 11.955 1.00 0.00 C ATOM 1050 OE1 GLU A 63 103.067 -14.717 12.004 1.00 0.00 O ATOM 1051 OE2 GLU A 63 101.955 -12.960 12.571 1.00 0.00 O ATOM 0 H GLU A 63 104.822 -10.569 10.345 1.00 0.00 H new ATOM 0 HA GLU A 63 107.204 -12.125 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.427 -13.578 12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 105.167 -11.901 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.342 -11.655 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.797 -13.080 10.062 1.00 0.00 H new ATOM 1058 N ASP A 64 106.792 -14.364 9.769 1.00 0.00 N ATOM 1059 CA ASP A 64 106.958 -15.421 8.712 1.00 0.00 C ATOM 1060 C ASP A 64 105.577 -15.890 8.241 1.00 0.00 C ATOM 1061 O ASP A 64 104.677 -16.051 9.047 1.00 0.00 O ATOM 1062 CB ASP A 64 107.713 -16.588 9.369 1.00 0.00 C ATOM 1063 CG ASP A 64 109.088 -16.129 9.864 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.873 -15.680 9.046 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.332 -16.234 11.054 1.00 0.00 O ATOM 0 H ASP A 64 107.094 -14.647 10.701 1.00 0.00 H new ATOM 0 HA ASP A 64 107.504 -15.041 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 64 107.132 -16.980 10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.831 -17.401 8.653 1.00 0.00 H new ATOM 1070 N PHE A 65 105.415 -16.105 6.954 1.00 0.00 N ATOM 1071 CA PHE A 65 104.072 -16.455 6.396 1.00 0.00 C ATOM 1072 C PHE A 65 104.201 -17.535 5.316 1.00 0.00 C ATOM 1073 O PHE A 65 105.292 -17.824 4.860 1.00 0.00 O ATOM 1074 CB PHE A 65 103.526 -15.147 5.809 1.00 0.00 C ATOM 1075 CG PHE A 65 104.381 -14.551 4.713 1.00 0.00 C ATOM 1076 CD1 PHE A 65 105.420 -13.624 5.036 1.00 0.00 C ATOM 1077 CD2 PHE A 65 104.146 -14.913 3.350 1.00 0.00 C ATOM 1078 CE1 PHE A 65 106.225 -13.061 3.998 1.00 0.00 C ATOM 1079 CE2 PHE A 65 104.951 -14.350 2.311 1.00 0.00 C ATOM 1080 CZ PHE A 65 105.990 -13.424 2.635 1.00 0.00 C ATOM 0 H PHE A 65 106.164 -16.052 6.263 1.00 0.00 H new ATOM 0 HA PHE A 65 103.405 -16.862 7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.526 -15.329 5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.424 -14.417 6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 65 105.597 -13.349 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 65 103.360 -15.612 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 65 107.011 -12.362 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 65 104.774 -14.625 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.598 -12.998 1.850 1.00 0.00 H new ATOM 1090 N GLU A 66 103.095 -18.122 4.917 1.00 0.00 N ATOM 1091 CA GLU A 66 103.114 -19.168 3.847 1.00 0.00 C ATOM 1092 C GLU A 66 102.172 -18.783 2.703 1.00 0.00 C ATOM 1093 O GLU A 66 101.167 -18.128 2.915 1.00 0.00 O ATOM 1094 CB GLU A 66 102.632 -20.450 4.532 1.00 0.00 C ATOM 1095 CG GLU A 66 103.823 -21.188 5.150 1.00 0.00 C ATOM 1096 CD GLU A 66 103.341 -22.410 5.942 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.301 -22.320 6.577 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.028 -23.416 5.907 1.00 0.00 O ATOM 0 H GLU A 66 102.170 -17.916 5.294 1.00 0.00 H new ATOM 0 HA GLU A 66 104.106 -19.287 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 66 101.902 -20.208 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.130 -21.093 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.511 -21.503 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.375 -20.515 5.807 1.00 0.00 H new ATOM 1105 N PHE A 67 102.504 -19.191 1.500 1.00 0.00 N ATOM 1106 CA PHE A 67 101.611 -18.975 0.323 1.00 0.00 C ATOM 1107 C PHE A 67 101.790 -20.128 -0.667 1.00 0.00 C ATOM 1108 O PHE A 67 102.901 -20.539 -0.943 1.00 0.00 O ATOM 1109 CB PHE A 67 102.074 -17.652 -0.293 1.00 0.00 C ATOM 1110 CG PHE A 67 101.253 -17.222 -1.487 1.00 0.00 C ATOM 1111 CD1 PHE A 67 101.629 -17.642 -2.801 1.00 0.00 C ATOM 1112 CD2 PHE A 67 100.099 -16.399 -1.303 1.00 0.00 C ATOM 1113 CE1 PHE A 67 100.850 -17.239 -3.930 1.00 0.00 C ATOM 1114 CE2 PHE A 67 99.320 -15.997 -2.431 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.696 -16.416 -3.745 1.00 0.00 C ATOM 0 H PHE A 67 103.376 -19.675 1.284 1.00 0.00 H new ATOM 0 HA PHE A 67 100.556 -18.940 0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.031 -16.872 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.117 -17.746 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 67 102.501 -18.263 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 67 99.816 -16.081 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 67 101.133 -17.556 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 67 98.447 -15.377 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.108 -16.111 -4.598 1.00 0.00 H new ATOM 1125 N ASN A 68 100.704 -20.656 -1.196 1.00 0.00 N ATOM 1126 CA ASN A 68 100.755 -21.790 -2.188 1.00 0.00 C ATOM 1127 C ASN A 68 101.603 -22.967 -1.678 1.00 0.00 C ATOM 1128 O ASN A 68 102.242 -23.657 -2.453 1.00 0.00 O ATOM 1129 CB ASN A 68 101.355 -21.200 -3.471 1.00 0.00 C ATOM 1130 CG ASN A 68 100.299 -20.361 -4.195 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.508 -19.685 -3.569 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.254 -20.378 -5.499 1.00 0.00 N ATOM 0 H ASN A 68 99.760 -20.340 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 68 99.758 -22.197 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.221 -20.583 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.706 -22.001 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.554 -19.823 -5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.918 -20.946 -6.025 1.00 0.00 H new ATOM 1139 N GLY A 69 101.601 -23.190 -0.382 1.00 0.00 N ATOM 1140 CA GLY A 69 102.322 -24.362 0.208 1.00 0.00 C ATOM 1141 C GLY A 69 103.835 -24.115 0.304 1.00 0.00 C ATOM 1142 O GLY A 69 104.590 -25.058 0.472 1.00 0.00 O ATOM 0 H GLY A 69 101.123 -22.600 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 69 101.924 -24.570 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.137 -25.247 -0.401 1.00 0.00 H new ATOM 1146 N LYS A 70 104.283 -22.880 0.203 1.00 0.00 N ATOM 1147 CA LYS A 70 105.743 -22.571 0.308 1.00 0.00 C ATOM 1148 C LYS A 70 105.981 -21.581 1.452 1.00 0.00 C ATOM 1149 O LYS A 70 105.189 -20.681 1.659 1.00 0.00 O ATOM 1150 CB LYS A 70 106.114 -21.940 -1.035 1.00 0.00 C ATOM 1151 CG LYS A 70 106.014 -22.992 -2.142 1.00 0.00 C ATOM 1152 CD LYS A 70 106.487 -22.388 -3.465 1.00 0.00 C ATOM 1153 CE LYS A 70 106.271 -23.399 -4.594 1.00 0.00 C ATOM 1154 NZ LYS A 70 106.121 -22.575 -5.825 1.00 0.00 N ATOM 0 H LYS A 70 103.687 -22.066 0.050 1.00 0.00 H new ATOM 0 HA LYS A 70 106.343 -23.456 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.448 -21.105 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.126 -21.538 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 70 106.622 -23.861 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 70 104.985 -23.340 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 70 105.938 -21.470 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.542 -22.121 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 70 107.115 -24.084 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 70 105.384 -24.007 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 105.969 -23.198 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 105.306 -21.938 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 106.983 -22.012 -5.973 1.00 0.00 H new ATOM 1168 N ARG A 71 107.061 -21.750 2.179 1.00 0.00 N ATOM 1169 CA ARG A 71 107.342 -20.873 3.360 1.00 0.00 C ATOM 1170 C ARG A 71 108.224 -19.691 2.950 1.00 0.00 C ATOM 1171 O ARG A 71 109.227 -19.868 2.282 1.00 0.00 O ATOM 1172 CB ARG A 71 108.073 -21.769 4.364 1.00 0.00 C ATOM 1173 CG ARG A 71 107.111 -22.837 4.888 1.00 0.00 C ATOM 1174 CD ARG A 71 107.827 -23.717 5.919 1.00 0.00 C ATOM 1175 NE ARG A 71 106.839 -24.777 6.305 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.205 -25.958 6.767 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.459 -26.298 6.956 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.275 -26.825 7.061 1.00 0.00 N ATOM 0 H ARG A 71 107.766 -22.465 2.002 1.00 0.00 H new ATOM 0 HA ARG A 71 106.429 -20.453 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 71 108.933 -22.241 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.455 -21.171 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.240 -22.364 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 71 106.748 -23.449 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 71 108.730 -24.159 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.133 -23.133 6.787 1.00 0.00 H new ATOM 0 HE ARG A 71 105.844 -24.577 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.205 -25.635 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 71 108.687 -27.225 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.293 -26.583 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.530 -27.745 7.420 1.00 0.00 H new ATOM 1192 N PHE A 72 107.847 -18.498 3.351 1.00 0.00 N ATOM 1193 CA PHE A 72 108.655 -17.280 3.040 1.00 0.00 C ATOM 1194 C PHE A 72 109.056 -16.579 4.340 1.00 0.00 C ATOM 1195 O PHE A 72 108.291 -16.551 5.289 1.00 0.00 O ATOM 1196 CB PHE A 72 107.728 -16.392 2.209 1.00 0.00 C ATOM 1197 CG PHE A 72 107.327 -17.012 0.891 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.267 -17.969 0.844 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.010 -16.642 -0.309 1.00 0.00 C ATOM 1200 CE1 PHE A 72 105.890 -18.558 -0.403 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.632 -17.231 -1.556 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.572 -18.189 -1.603 1.00 0.00 C ATOM 0 H PHE A 72 106.999 -18.318 3.889 1.00 0.00 H new ATOM 0 HA PHE A 72 109.576 -17.513 2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 72 106.830 -16.174 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.223 -15.440 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.750 -18.247 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 72 108.811 -15.918 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.089 -19.282 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.148 -16.952 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.287 -18.634 -2.545 1.00 0.00 H new ATOM 1212 N PHE A 73 110.242 -16.014 4.375 1.00 0.00 N ATOM 1213 CA PHE A 73 110.824 -15.524 5.664 1.00 0.00 C ATOM 1214 C PHE A 73 110.355 -14.095 5.955 1.00 0.00 C ATOM 1215 O PHE A 73 109.997 -13.362 5.051 1.00 0.00 O ATOM 1216 CB PHE A 73 112.342 -15.565 5.479 1.00 0.00 C ATOM 1217 CG PHE A 73 112.892 -16.963 5.325 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.300 -17.702 6.479 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.006 -17.548 4.026 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.821 -19.026 6.334 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.526 -18.871 3.880 1.00 0.00 C ATOM 1222 CZ PHE A 73 113.934 -19.609 5.034 1.00 0.00 C ATOM 0 H PHE A 73 110.835 -15.871 3.557 1.00 0.00 H new ATOM 0 HA PHE A 73 110.508 -16.139 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.609 -14.979 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.818 -15.088 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.215 -17.260 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.699 -16.990 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 73 114.129 -19.585 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.611 -19.313 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.328 -20.608 4.924 1.00 0.00 H new ATOM 1232 N GLY A 74 110.362 -13.713 7.211 1.00 0.00 N ATOM 1233 CA GLY A 74 109.846 -12.372 7.625 1.00 0.00 C ATOM 1234 C GLY A 74 110.746 -11.267 7.067 1.00 0.00 C ATOM 1235 O GLY A 74 111.894 -11.506 6.732 1.00 0.00 O ATOM 0 H GLY A 74 110.711 -14.286 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.826 -12.239 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.810 -12.308 8.712 1.00 0.00 H new ATOM 1239 N VAL A 75 110.223 -10.067 6.975 1.00 0.00 N ATOM 1240 CA VAL A 75 110.976 -8.941 6.332 1.00 0.00 C ATOM 1241 C VAL A 75 110.780 -7.646 7.126 1.00 0.00 C ATOM 1242 O VAL A 75 109.807 -7.503 7.844 1.00 0.00 O ATOM 1243 CB VAL A 75 110.426 -8.804 4.900 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.726 -10.081 4.110 1.00 0.00 C ATOM 1245 CG2 VAL A 75 108.910 -8.562 4.901 1.00 0.00 C ATOM 0 H VAL A 75 109.297 -9.817 7.321 1.00 0.00 H new ATOM 0 HA VAL A 75 112.047 -9.140 6.313 1.00 0.00 H new ATOM 0 HB VAL A 75 110.913 -7.946 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.336 -9.982 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.804 -10.239 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.252 -10.932 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.556 -8.470 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.408 -9.400 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.688 -7.644 5.445 1.00 0.00 H new ATOM 1255 N LYS A 76 111.699 -6.719 6.994 1.00 0.00 N ATOM 1256 CA LYS A 76 111.574 -5.396 7.681 1.00 0.00 C ATOM 1257 C LYS A 76 111.480 -4.279 6.638 1.00 0.00 C ATOM 1258 O LYS A 76 112.214 -4.283 5.665 1.00 0.00 O ATOM 1259 CB LYS A 76 112.853 -5.250 8.511 1.00 0.00 C ATOM 1260 CG LYS A 76 112.875 -6.305 9.620 1.00 0.00 C ATOM 1261 CD LYS A 76 114.097 -6.082 10.513 1.00 0.00 C ATOM 1262 CE LYS A 76 114.175 -7.198 11.558 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.011 -6.638 12.657 1.00 0.00 N ATOM 0 H LYS A 76 112.543 -6.826 6.431 1.00 0.00 H new ATOM 0 HA LYS A 76 110.682 -5.334 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.728 -5.364 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.904 -4.252 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.962 -6.244 10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.906 -7.304 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 76 115.005 -6.070 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.029 -5.112 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.183 -7.473 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.624 -8.099 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 115.125 -7.352 13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 115.946 -6.376 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 114.547 -5.795 13.051 1.00 0.00 H new ATOM 1277 N VAL A 77 110.590 -3.335 6.844 1.00 0.00 N ATOM 1278 CA VAL A 77 110.371 -2.244 5.838 1.00 0.00 C ATOM 1279 C VAL A 77 110.314 -0.893 6.562 1.00 0.00 C ATOM 1280 O VAL A 77 109.754 -0.794 7.639 1.00 0.00 O ATOM 1281 CB VAL A 77 109.031 -2.570 5.149 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.711 -1.525 4.073 1.00 0.00 C ATOM 1283 CG2 VAL A 77 109.099 -3.945 4.471 1.00 0.00 C ATOM 0 H VAL A 77 110.000 -3.273 7.674 1.00 0.00 H new ATOM 0 HA VAL A 77 111.174 -2.183 5.103 1.00 0.00 H new ATOM 0 HB VAL A 77 108.256 -2.567 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.762 -1.771 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.641 -0.539 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.502 -1.521 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.145 -4.161 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.891 -3.943 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.309 -4.710 5.219 1.00 0.00 H new ATOM 1293 N LEU A 78 110.887 0.132 5.971 1.00 0.00 N ATOM 1294 CA LEU A 78 110.851 1.498 6.582 1.00 0.00 C ATOM 1295 C LEU A 78 110.561 2.557 5.499 1.00 0.00 C ATOM 1296 O LEU A 78 111.275 2.593 4.515 1.00 0.00 O ATOM 1297 CB LEU A 78 112.254 1.677 7.170 1.00 0.00 C ATOM 1298 CG LEU A 78 112.367 3.005 7.928 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.496 2.977 9.185 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.824 3.215 8.340 1.00 0.00 C ATOM 0 H LEU A 78 111.383 0.077 5.081 1.00 0.00 H new ATOM 0 HA LEU A 78 110.071 1.611 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.478 0.850 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.994 1.647 6.370 1.00 0.00 H new ATOM 0 HG LEU A 78 112.031 3.815 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.587 3.927 9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.455 2.817 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.824 2.167 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.917 4.157 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.142 2.395 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.453 3.243 7.450 1.00 0.00 H new ATOM 1312 N PRO A 79 109.540 3.385 5.685 1.00 0.00 N ATOM 1313 CA PRO A 79 109.234 4.467 4.692 1.00 0.00 C ATOM 1314 C PRO A 79 110.382 5.482 4.595 1.00 0.00 C ATOM 1315 O PRO A 79 111.086 5.718 5.560 1.00 0.00 O ATOM 1316 CB PRO A 79 107.980 5.134 5.268 1.00 0.00 C ATOM 1317 CG PRO A 79 107.382 4.077 6.127 1.00 0.00 C ATOM 1318 CD PRO A 79 108.555 3.420 6.786 1.00 0.00 C ATOM 0 HA PRO A 79 109.096 4.079 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.229 6.025 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.294 5.445 4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.700 4.503 6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.808 3.363 5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.917 3.992 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.313 2.421 7.150 1.00 0.00 H new ATOM 1326 N ILE A 80 110.562 6.070 3.434 1.00 0.00 N ATOM 1327 CA ILE A 80 111.524 7.208 3.275 1.00 0.00 C ATOM 1328 C ILE A 80 110.954 8.256 2.313 1.00 0.00 C ATOM 1329 O ILE A 80 109.953 8.020 1.660 1.00 0.00 O ATOM 1330 CB ILE A 80 112.831 6.609 2.720 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.589 5.895 1.377 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.412 5.616 3.734 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.926 5.535 0.723 1.00 0.00 C ATOM 0 H ILE A 80 110.075 5.805 2.578 1.00 0.00 H new ATOM 0 HA ILE A 80 111.703 7.709 4.226 1.00 0.00 H new ATOM 0 HB ILE A 80 113.536 7.423 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.999 4.992 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 80 112.012 6.539 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.336 5.193 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.619 6.132 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.694 4.816 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.743 5.031 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.501 6.444 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.487 4.874 1.383 1.00 0.00 H new ATOM 1345 N LYS A 81 111.590 9.400 2.231 1.00 0.00 N ATOM 1346 CA LYS A 81 111.285 10.379 1.144 1.00 0.00 C ATOM 1347 C LYS A 81 112.524 10.550 0.262 1.00 0.00 C ATOM 1348 O LYS A 81 113.611 10.767 0.764 1.00 0.00 O ATOM 1349 CB LYS A 81 110.941 11.689 1.857 1.00 0.00 C ATOM 1350 CG LYS A 81 109.644 11.525 2.655 1.00 0.00 C ATOM 1351 CD LYS A 81 108.456 11.443 1.694 1.00 0.00 C ATOM 1352 CE LYS A 81 107.152 11.552 2.486 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.953 13.013 2.700 1.00 0.00 N ATOM 0 H LYS A 81 112.317 9.699 2.881 1.00 0.00 H new ATOM 0 HA LYS A 81 110.465 10.054 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.755 11.974 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.830 12.492 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.693 10.624 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.516 12.366 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.515 12.244 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.483 10.502 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.318 11.116 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.221 11.020 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 106.611 13.179 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 107.856 13.510 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 106.253 13.371 2.020 1.00 0.00 H new ATOM 1367 N ILE A 82 112.360 10.452 -1.037 1.00 0.00 N ATOM 1368 CA ILE A 82 113.532 10.480 -1.970 1.00 0.00 C ATOM 1369 C ILE A 82 113.567 11.841 -2.675 1.00 0.00 C ATOM 1370 O ILE A 82 112.599 12.235 -3.301 1.00 0.00 O ATOM 1371 CB ILE A 82 113.307 9.331 -2.971 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.223 7.986 -2.236 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.470 9.258 -3.970 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.644 6.923 -3.172 1.00 0.00 C ATOM 0 H ILE A 82 111.454 10.353 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 82 114.485 10.350 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 82 112.373 9.527 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.213 7.684 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.597 8.084 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.297 8.441 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.539 10.198 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.402 9.083 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.586 5.969 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.646 7.224 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.288 6.818 -4.045 1.00 0.00 H new ATOM 1386 N LEU A 83 114.672 12.542 -2.568 1.00 0.00 N ATOM 1387 CA LEU A 83 114.792 13.899 -3.184 1.00 0.00 C ATOM 1388 C LEU A 83 115.717 13.848 -4.403 1.00 0.00 C ATOM 1389 O LEU A 83 116.891 13.540 -4.279 1.00 0.00 O ATOM 1390 CB LEU A 83 115.398 14.788 -2.092 1.00 0.00 C ATOM 1391 CG LEU A 83 114.429 14.914 -0.912 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.144 15.581 0.265 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.225 15.766 -1.321 1.00 0.00 C ATOM 0 H LEU A 83 115.506 12.225 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 83 113.829 14.277 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.343 14.365 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.618 15.775 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 83 114.087 13.921 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.455 15.671 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 83 116.000 14.975 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.486 16.572 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.538 15.853 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.565 16.759 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.713 15.294 -2.159 1.00 0.00 H new ATOM 1405 N ILE A 84 115.189 14.146 -5.569 1.00 0.00 N ATOM 1406 CA ILE A 84 116.025 14.208 -6.809 1.00 0.00 C ATOM 1407 C ILE A 84 115.730 15.532 -7.522 1.00 0.00 C ATOM 1408 O ILE A 84 114.595 15.808 -7.866 1.00 0.00 O ATOM 1409 CB ILE A 84 115.608 12.998 -7.668 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.855 11.688 -6.906 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.427 12.961 -8.965 1.00 0.00 C ATOM 1412 CD1 ILE A 84 115.129 10.537 -7.607 1.00 0.00 C ATOM 0 H ILE A 84 114.200 14.351 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 84 117.095 14.169 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 84 114.547 13.099 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.924 11.480 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.502 11.781 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 84 116.123 12.102 -9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.254 13.876 -9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.487 12.879 -8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.307 9.609 -7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 84 114.059 10.743 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.503 10.438 -8.626 1.00 0.00 H new ATOM 1424 N GLY A 85 116.742 16.345 -7.737 1.00 0.00 N ATOM 1425 CA GLY A 85 116.548 17.675 -8.397 1.00 0.00 C ATOM 1426 C GLY A 85 115.680 18.577 -7.511 1.00 0.00 C ATOM 1427 O GLY A 85 116.041 18.869 -6.385 1.00 0.00 O ATOM 0 H GLY A 85 117.707 16.137 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.514 18.147 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.075 17.542 -9.370 1.00 0.00 H new ATOM 1431 N ASN A 86 114.549 19.008 -8.022 1.00 0.00 N ATOM 1432 CA ASN A 86 113.589 19.818 -7.207 1.00 0.00 C ATOM 1433 C ASN A 86 112.299 19.038 -6.903 1.00 0.00 C ATOM 1434 O ASN A 86 111.306 19.637 -6.530 1.00 0.00 O ATOM 1435 CB ASN A 86 113.275 21.040 -8.071 1.00 0.00 C ATOM 1436 CG ASN A 86 114.523 21.918 -8.200 1.00 0.00 C ATOM 1437 OD1 ASN A 86 114.927 22.260 -9.294 1.00 0.00 O ATOM 1438 ND2 ASN A 86 115.152 22.302 -7.124 1.00 0.00 N ATOM 0 H ASN A 86 114.248 18.830 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 86 114.017 20.082 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.939 20.722 -9.058 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.461 21.612 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.983 22.889 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.813 22.015 -6.206 1.00 0.00 H new ATOM 1445 N LYS A 87 112.304 17.728 -7.054 1.00 0.00 N ATOM 1446 CA LYS A 87 111.054 16.925 -6.879 1.00 0.00 C ATOM 1447 C LYS A 87 111.227 15.905 -5.749 1.00 0.00 C ATOM 1448 O LYS A 87 112.298 15.351 -5.576 1.00 0.00 O ATOM 1449 CB LYS A 87 110.853 16.208 -8.215 1.00 0.00 C ATOM 1450 CG LYS A 87 110.515 17.229 -9.303 1.00 0.00 C ATOM 1451 CD LYS A 87 110.201 16.496 -10.609 1.00 0.00 C ATOM 1452 CE LYS A 87 109.974 17.516 -11.728 1.00 0.00 C ATOM 1453 NZ LYS A 87 109.385 16.730 -12.848 1.00 0.00 N ATOM 0 H LYS A 87 113.131 17.181 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 87 110.201 17.549 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.756 15.661 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 87 110.051 15.475 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.660 17.833 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.352 17.912 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 87 111.023 15.830 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.315 15.874 -10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.302 18.312 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 87 110.909 17.990 -12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 109.200 17.360 -13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 110.050 15.984 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 108.493 16.296 -12.536 1.00 0.00 H new ATOM 1467 N LYS A 88 110.180 15.663 -4.992 1.00 0.00 N ATOM 1468 CA LYS A 88 110.231 14.649 -3.892 1.00 0.00 C ATOM 1469 C LYS A 88 109.140 13.591 -4.094 1.00 0.00 C ATOM 1470 O LYS A 88 107.986 13.921 -4.306 1.00 0.00 O ATOM 1471 CB LYS A 88 110.036 15.432 -2.581 1.00 0.00 C ATOM 1472 CG LYS A 88 108.693 16.174 -2.554 1.00 0.00 C ATOM 1473 CD LYS A 88 108.576 16.967 -1.250 1.00 0.00 C ATOM 1474 CE LYS A 88 107.140 17.467 -1.082 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.060 18.694 -1.923 1.00 0.00 N ATOM 0 H LYS A 88 109.281 16.133 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 88 111.178 14.110 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.089 14.745 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.849 16.148 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.619 16.846 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.871 15.463 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.855 16.339 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.267 17.810 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.420 16.717 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.918 17.689 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.108 19.106 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.764 19.386 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 107.252 18.448 -2.915 1.00 0.00 H new ATOM 1489 N ILE A 89 109.510 12.331 -4.030 1.00 0.00 N ATOM 1490 CA ILE A 89 108.523 11.219 -4.216 1.00 0.00 C ATOM 1491 C ILE A 89 108.595 10.282 -3.003 1.00 0.00 C ATOM 1492 O ILE A 89 109.659 10.078 -2.447 1.00 0.00 O ATOM 1493 CB ILE A 89 108.938 10.497 -5.514 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.897 11.468 -6.703 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.980 9.337 -5.811 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.647 10.858 -7.890 1.00 0.00 C ATOM 0 H ILE A 89 110.467 12.024 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 89 107.495 11.574 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 89 109.951 10.119 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.864 11.676 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.349 12.420 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.287 8.838 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 89 108.004 8.625 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.967 9.722 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.617 11.548 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.684 10.673 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.175 9.918 -8.174 1.00 0.00 H new ATOM 1508 N ASP A 90 107.473 9.728 -2.603 1.00 0.00 N ATOM 1509 CA ASP A 90 107.458 8.757 -1.459 1.00 0.00 C ATOM 1510 C ASP A 90 108.051 7.418 -1.903 1.00 0.00 C ATOM 1511 O ASP A 90 107.751 6.938 -2.983 1.00 0.00 O ATOM 1512 CB ASP A 90 105.987 8.579 -1.067 1.00 0.00 C ATOM 1513 CG ASP A 90 105.441 9.895 -0.509 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.541 10.896 -1.197 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.930 9.877 0.599 1.00 0.00 O ATOM 0 H ASP A 90 106.561 9.908 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 90 108.051 9.120 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.404 8.271 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.892 7.789 -0.322 1.00 0.00 H new ATOM 1520 N GLY A 91 108.885 6.825 -1.079 1.00 0.00 N ATOM 1521 CA GLY A 91 109.478 5.492 -1.401 1.00 0.00 C ATOM 1522 C GLY A 91 109.677 4.705 -0.106 1.00 0.00 C ATOM 1523 O GLY A 91 109.166 5.086 0.932 1.00 0.00 O ATOM 0 H GLY A 91 109.182 7.217 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.823 4.943 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.431 5.619 -1.914 1.00 0.00 H new ATOM 1527 N ALA A 92 110.417 3.622 -0.167 1.00 0.00 N ATOM 1528 CA ALA A 92 110.668 2.789 1.050 1.00 0.00 C ATOM 1529 C ALA A 92 111.912 1.918 0.853 1.00 0.00 C ATOM 1530 O ALA A 92 112.285 1.620 -0.266 1.00 0.00 O ATOM 1531 CB ALA A 92 109.417 1.921 1.201 1.00 0.00 C ATOM 0 H ALA A 92 110.862 3.278 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 92 110.850 3.397 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.523 1.279 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.543 2.561 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.292 1.305 0.311 1.00 0.00 H new ATOM 1537 N ILE A 93 112.539 1.518 1.934 1.00 0.00 N ATOM 1538 CA ILE A 93 113.739 0.627 1.852 1.00 0.00 C ATOM 1539 C ILE A 93 113.344 -0.766 2.357 1.00 0.00 C ATOM 1540 O ILE A 93 112.595 -0.884 3.312 1.00 0.00 O ATOM 1541 CB ILE A 93 114.810 1.262 2.761 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.144 2.685 2.295 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.100 0.432 2.724 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.908 3.420 3.399 1.00 0.00 C ATOM 0 H ILE A 93 112.266 1.775 2.882 1.00 0.00 H new ATOM 0 HA ILE A 93 114.119 0.524 0.836 1.00 0.00 H new ATOM 0 HB ILE A 93 114.408 1.290 3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.744 2.649 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.228 3.224 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.847 0.892 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.892 -0.580 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.478 0.393 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.145 4.431 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.293 3.468 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.832 2.885 3.620 1.00 0.00 H new ATOM 1556 N VAL A 94 113.847 -1.800 1.720 1.00 0.00 N ATOM 1557 CA VAL A 94 113.450 -3.200 2.079 1.00 0.00 C ATOM 1558 C VAL A 94 114.704 -3.999 2.460 1.00 0.00 C ATOM 1559 O VAL A 94 115.691 -3.984 1.746 1.00 0.00 O ATOM 1560 CB VAL A 94 112.772 -3.783 0.823 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.297 -5.217 1.086 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.550 -2.941 0.437 1.00 0.00 C ATOM 0 H VAL A 94 114.523 -1.731 0.959 1.00 0.00 H new ATOM 0 HA VAL A 94 112.771 -3.237 2.931 1.00 0.00 H new ATOM 0 HB VAL A 94 113.505 -3.774 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.821 -5.613 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.151 -5.841 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.581 -5.218 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.082 -3.365 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.834 -2.940 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.864 -1.918 0.229 1.00 0.00 H new ATOM 1572 N VAL A 95 114.656 -4.688 3.579 1.00 0.00 N ATOM 1573 CA VAL A 95 115.788 -5.575 3.996 1.00 0.00 C ATOM 1574 C VAL A 95 115.204 -6.825 4.684 1.00 0.00 C ATOM 1575 O VAL A 95 114.273 -6.687 5.455 1.00 0.00 O ATOM 1576 CB VAL A 95 116.636 -4.740 4.975 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.838 -5.553 5.472 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.168 -3.482 4.279 1.00 0.00 C ATOM 0 H VAL A 95 113.869 -4.671 4.228 1.00 0.00 H new ATOM 0 HA VAL A 95 116.398 -5.913 3.158 1.00 0.00 H new ATOM 0 HB VAL A 95 115.999 -4.464 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.426 -4.948 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.485 -6.448 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.458 -5.841 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.765 -2.902 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.787 -3.770 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.331 -2.878 3.929 1.00 0.00 H new ATOM 1588 N PRO A 96 115.740 -8.006 4.403 1.00 0.00 N ATOM 1589 CA PRO A 96 115.261 -9.258 5.083 1.00 0.00 C ATOM 1590 C PRO A 96 115.374 -9.157 6.613 1.00 0.00 C ATOM 1591 O PRO A 96 116.207 -8.431 7.124 1.00 0.00 O ATOM 1592 CB PRO A 96 116.211 -10.331 4.547 1.00 0.00 C ATOM 1593 CG PRO A 96 116.632 -9.797 3.224 1.00 0.00 C ATOM 1594 CD PRO A 96 116.816 -8.327 3.442 1.00 0.00 C ATOM 0 HA PRO A 96 114.209 -9.463 4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.064 -10.478 5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.712 -11.295 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.556 -10.265 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.878 -9.992 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.802 -8.098 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.713 -7.764 2.515 1.00 0.00 H new ATOM 1602 N LYS A 97 114.541 -9.884 7.325 1.00 0.00 N ATOM 1603 CA LYS A 97 114.557 -9.834 8.827 1.00 0.00 C ATOM 1604 C LYS A 97 115.878 -10.392 9.371 1.00 0.00 C ATOM 1605 O LYS A 97 116.370 -9.929 10.384 1.00 0.00 O ATOM 1606 CB LYS A 97 113.382 -10.699 9.300 1.00 0.00 C ATOM 1607 CG LYS A 97 113.162 -10.492 10.800 1.00 0.00 C ATOM 1608 CD LYS A 97 112.046 -11.418 11.286 1.00 0.00 C ATOM 1609 CE LYS A 97 111.735 -11.121 12.754 1.00 0.00 C ATOM 1610 NZ LYS A 97 111.173 -12.390 13.293 1.00 0.00 N ATOM 0 H LYS A 97 113.845 -10.515 6.927 1.00 0.00 H new ATOM 0 HA LYS A 97 114.467 -8.809 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.479 -10.435 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.585 -11.750 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.083 -10.698 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 97 112.899 -9.453 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.152 -11.276 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.348 -12.459 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.633 -10.826 13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 97 111.022 -10.302 12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.935 -12.265 14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.315 -12.643 12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 111.876 -13.150 13.196 1.00 0.00 H new ATOM 1624 N LYS A 98 116.440 -11.373 8.701 1.00 0.00 N ATOM 1625 CA LYS A 98 117.711 -12.006 9.180 1.00 0.00 C ATOM 1626 C LYS A 98 118.921 -11.236 8.642 1.00 0.00 C ATOM 1627 O LYS A 98 119.126 -11.166 7.443 1.00 0.00 O ATOM 1628 CB LYS A 98 117.699 -13.434 8.630 1.00 0.00 C ATOM 1629 CG LYS A 98 116.569 -14.230 9.287 1.00 0.00 C ATOM 1630 CD LYS A 98 116.627 -15.684 8.813 1.00 0.00 C ATOM 1631 CE LYS A 98 115.431 -16.454 9.378 1.00 0.00 C ATOM 1632 NZ LYS A 98 115.852 -16.869 10.745 1.00 0.00 N ATOM 0 H LYS A 98 116.068 -11.765 7.836 1.00 0.00 H new ATOM 0 HA LYS A 98 117.781 -11.997 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.563 -13.416 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 98 118.657 -13.917 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 98 116.662 -14.186 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 98 115.604 -13.791 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 98 116.616 -15.723 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 98 117.558 -16.147 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 98 114.539 -15.828 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 98 115.190 -17.319 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 115.103 -17.446 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 116.728 -17.426 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 116.019 -16.024 11.328 1.00 0.00 H new ATOM 1646 N THR A 99 119.709 -10.666 9.526 1.00 0.00 N ATOM 1647 CA THR A 99 120.932 -9.917 9.106 1.00 0.00 C ATOM 1648 C THR A 99 122.141 -10.383 9.924 1.00 0.00 C ATOM 1649 O THR A 99 122.053 -10.524 11.130 1.00 0.00 O ATOM 1650 CB THR A 99 120.617 -8.449 9.399 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.360 -8.114 8.829 1.00 0.00 O ATOM 1652 CG2 THR A 99 121.706 -7.558 8.796 1.00 0.00 C ATOM 0 H THR A 99 119.551 -10.690 10.533 1.00 0.00 H new ATOM 0 HA THR A 99 121.177 -10.078 8.056 1.00 0.00 H new ATOM 0 HB THR A 99 120.582 -8.294 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 99 119.156 -7.174 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.479 -6.513 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 99 122.670 -7.815 9.234 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.745 -7.711 7.717 1.00 0.00 H new ATOM 1660 N TYR A 100 123.255 -10.618 9.268 1.00 0.00 N ATOM 1661 CA TYR A 100 124.490 -11.075 9.977 1.00 0.00 C ATOM 1662 C TYR A 100 125.408 -9.882 10.261 1.00 0.00 C ATOM 1663 O TYR A 100 125.855 -9.698 11.380 1.00 0.00 O ATOM 1664 CB TYR A 100 125.166 -12.054 9.017 1.00 0.00 C ATOM 1665 CG TYR A 100 126.373 -12.744 9.610 1.00 0.00 C ATOM 1666 CD1 TYR A 100 126.217 -13.980 10.309 1.00 0.00 C ATOM 1667 CD2 TYR A 100 127.669 -12.158 9.471 1.00 0.00 C ATOM 1668 CE1 TYR A 100 127.359 -14.633 10.870 1.00 0.00 C ATOM 1669 CE2 TYR A 100 128.811 -12.811 10.032 1.00 0.00 C ATOM 1670 CZ TYR A 100 128.655 -14.047 10.732 1.00 0.00 C ATOM 1671 OH TYR A 100 129.757 -14.677 11.274 1.00 0.00 O ATOM 0 H TYR A 100 123.359 -10.510 8.259 1.00 0.00 H new ATOM 0 HA TYR A 100 124.264 -11.540 10.937 1.00 0.00 H new ATOM 0 HB2 TYR A 100 124.441 -12.808 8.709 1.00 0.00 H new ATOM 0 HB3 TYR A 100 125.469 -11.518 8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.237 -14.421 10.414 1.00 0.00 H new ATOM 0 HD2 TYR A 100 127.786 -11.223 8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 100 127.242 -15.568 11.397 1.00 0.00 H new ATOM 0 HE2 TYR A 100 129.791 -12.370 9.927 1.00 0.00 H new ATOM 0 HH TYR A 100 130.560 -14.147 11.090 1.00 0.00 H new ATOM 1681 N HIS A 101 125.682 -9.083 9.255 1.00 0.00 N ATOM 1682 CA HIS A 101 126.581 -7.900 9.425 1.00 0.00 C ATOM 1683 C HIS A 101 125.953 -6.662 8.776 1.00 0.00 C ATOM 1684 O HIS A 101 124.965 -6.770 8.071 1.00 0.00 O ATOM 1685 CB HIS A 101 127.877 -8.283 8.709 1.00 0.00 C ATOM 1686 CG HIS A 101 128.976 -7.270 8.870 1.00 0.00 C ATOM 1687 ND1 HIS A 101 129.568 -7.010 10.095 1.00 0.00 N ATOM 1688 CD2 HIS A 101 129.602 -6.443 7.969 1.00 0.00 C ATOM 1689 CE1 HIS A 101 130.503 -6.064 9.902 1.00 0.00 C ATOM 1690 NE2 HIS A 101 130.566 -5.682 8.624 1.00 0.00 N ATOM 0 H HIS A 101 125.314 -9.204 8.311 1.00 0.00 H new ATOM 0 HA HIS A 101 126.752 -7.656 10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.222 -9.244 9.090 1.00 0.00 H new ATOM 0 HB3 HIS A 101 127.670 -8.416 7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 101 129.380 -6.391 6.913 1.00 0.00 H new ATOM 0 HE1 HIS A 101 131.128 -5.662 10.686 1.00 0.00 H new ATOM 0 HE2 HIS A 101 131.187 -4.983 8.216 1.00 0.00 H new ATOM 1698 N SER A 102 126.524 -5.504 9.014 1.00 0.00 N ATOM 1699 CA SER A 102 125.996 -4.241 8.411 1.00 0.00 C ATOM 1700 C SER A 102 126.747 -3.924 7.114 1.00 0.00 C ATOM 1701 O SER A 102 127.888 -4.319 6.949 1.00 0.00 O ATOM 1702 CB SER A 102 126.250 -3.153 9.458 1.00 0.00 C ATOM 1703 OG SER A 102 125.552 -3.480 10.651 1.00 0.00 O ATOM 0 H SER A 102 127.344 -5.381 9.608 1.00 0.00 H new ATOM 0 HA SER A 102 124.938 -4.318 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 102 127.318 -3.068 9.659 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.918 -2.185 9.082 1.00 0.00 H new ATOM 0 HG SER A 102 125.713 -2.787 11.325 1.00 0.00 H new ATOM 1709 N SER A 103 126.109 -3.217 6.209 1.00 0.00 N ATOM 1710 CA SER A 103 126.736 -2.906 4.887 1.00 0.00 C ATOM 1711 C SER A 103 126.520 -1.434 4.525 1.00 0.00 C ATOM 1712 O SER A 103 125.813 -0.720 5.215 1.00 0.00 O ATOM 1713 CB SER A 103 126.014 -3.805 3.883 1.00 0.00 C ATOM 1714 OG SER A 103 124.653 -3.405 3.787 1.00 0.00 O ATOM 0 H SER A 103 125.170 -2.839 6.334 1.00 0.00 H new ATOM 0 HA SER A 103 127.812 -3.078 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 103 126.494 -3.738 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.077 -4.846 4.199 1.00 0.00 H new ATOM 0 HG SER A 103 124.188 -3.979 3.143 1.00 0.00 H new ATOM 1720 N GLU A 104 127.133 -0.992 3.451 1.00 0.00 N ATOM 1721 CA GLU A 104 126.866 0.378 2.914 1.00 0.00 C ATOM 1722 C GLU A 104 126.009 0.310 1.642 1.00 0.00 C ATOM 1723 O GLU A 104 126.058 1.218 0.832 1.00 0.00 O ATOM 1724 CB GLU A 104 128.251 0.952 2.591 1.00 0.00 C ATOM 1725 CG GLU A 104 128.819 1.669 3.818 1.00 0.00 C ATOM 1726 CD GLU A 104 130.261 2.098 3.540 1.00 0.00 C ATOM 1727 OE1 GLU A 104 130.508 2.623 2.467 1.00 0.00 O ATOM 1728 OE2 GLU A 104 131.096 1.896 4.408 1.00 0.00 O ATOM 0 H GLU A 104 127.816 -1.531 2.918 1.00 0.00 H new ATOM 0 HA GLU A 104 126.317 0.993 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.923 0.151 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.180 1.647 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.209 2.540 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.786 1.009 4.685 1.00 0.00 H new ATOM 1735 N ILE A 105 125.238 -0.742 1.464 1.00 0.00 N ATOM 1736 CA ILE A 105 124.366 -0.863 0.250 1.00 0.00 C ATOM 1737 C ILE A 105 122.900 -0.961 0.694 1.00 0.00 C ATOM 1738 O ILE A 105 122.559 -1.788 1.520 1.00 0.00 O ATOM 1739 CB ILE A 105 124.814 -2.151 -0.473 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.320 -2.120 -0.812 1.00 0.00 C ATOM 1741 CG2 ILE A 105 124.007 -2.347 -1.766 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.686 -0.921 -1.701 1.00 0.00 C ATOM 0 H ILE A 105 125.177 -1.526 2.113 1.00 0.00 H new ATOM 0 HA ILE A 105 124.454 -0.003 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 105 124.631 -2.984 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.898 -2.077 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.597 -3.045 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.334 -3.259 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.947 -2.426 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.166 -1.495 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.755 -0.939 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.128 -0.978 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.435 0.005 -1.184 1.00 0.00 H new ATOM 1754 N ILE A 106 122.050 -0.121 0.150 1.00 0.00 N ATOM 1755 CA ILE A 106 120.587 -0.176 0.471 1.00 0.00 C ATOM 1756 C ILE A 106 119.767 -0.285 -0.820 1.00 0.00 C ATOM 1757 O ILE A 106 120.142 0.270 -1.837 1.00 0.00 O ATOM 1758 CB ILE A 106 120.254 1.120 1.232 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.624 2.366 0.411 1.00 0.00 C ATOM 1760 CG2 ILE A 106 121.023 1.148 2.556 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.876 3.583 0.961 1.00 0.00 C ATOM 0 H ILE A 106 122.312 0.610 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 106 120.344 -1.048 1.078 1.00 0.00 H new ATOM 0 HB ILE A 106 119.180 1.135 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.700 2.537 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.368 2.212 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.787 2.066 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.736 0.288 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 106 122.094 1.110 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.139 4.466 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.802 3.411 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.154 3.740 2.003 1.00 0.00 H new ATOM 1773 N GLU A 107 118.661 -0.993 -0.773 1.00 0.00 N ATOM 1774 CA GLU A 107 117.781 -1.135 -1.974 1.00 0.00 C ATOM 1775 C GLU A 107 116.418 -0.493 -1.706 1.00 0.00 C ATOM 1776 O GLU A 107 115.793 -0.761 -0.695 1.00 0.00 O ATOM 1777 CB GLU A 107 117.627 -2.643 -2.187 1.00 0.00 C ATOM 1778 CG GLU A 107 118.822 -3.171 -2.984 1.00 0.00 C ATOM 1779 CD GLU A 107 118.678 -4.681 -3.187 1.00 0.00 C ATOM 1780 OE1 GLU A 107 117.588 -5.113 -3.526 1.00 0.00 O ATOM 1781 OE2 GLU A 107 119.660 -5.380 -3.001 1.00 0.00 O ATOM 0 H GLU A 107 118.329 -1.483 0.058 1.00 0.00 H new ATOM 0 HA GLU A 107 118.202 -0.643 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.564 -3.152 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.700 -2.853 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.879 -2.668 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.750 -2.952 -2.455 1.00 0.00 H new ATOM 1788 N ILE A 108 115.968 0.343 -2.612 1.00 0.00 N ATOM 1789 CA ILE A 108 114.704 1.117 -2.397 1.00 0.00 C ATOM 1790 C ILE A 108 113.653 0.679 -3.427 1.00 0.00 C ATOM 1791 O ILE A 108 113.988 0.269 -4.522 1.00 0.00 O ATOM 1792 CB ILE A 108 115.097 2.597 -2.583 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.125 3.003 -1.519 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.874 3.512 -2.443 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.789 4.321 -1.923 1.00 0.00 C ATOM 0 H ILE A 108 116.430 0.524 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 108 114.268 0.951 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 108 115.519 2.705 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.637 3.112 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.878 2.223 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.179 4.550 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.134 3.249 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.439 3.388 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.519 4.608 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.291 4.196 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.031 5.099 -2.009 1.00 0.00 H new ATOM 1807 N ILE A 109 112.394 0.771 -3.067 1.00 0.00 N ATOM 1808 CA ILE A 109 111.285 0.621 -4.064 1.00 0.00 C ATOM 1809 C ILE A 109 110.506 1.938 -4.165 1.00 0.00 C ATOM 1810 O ILE A 109 110.521 2.731 -3.240 1.00 0.00 O ATOM 1811 CB ILE A 109 110.386 -0.524 -3.559 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.856 -0.243 -2.144 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.181 -1.831 -3.549 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.550 -1.012 -1.921 1.00 0.00 C ATOM 0 H ILE A 109 112.084 0.946 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 109 111.663 0.389 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 109 109.533 -0.604 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.596 -0.541 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.687 0.826 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.545 -2.641 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.523 -2.057 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 109 112.042 -1.728 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.176 -0.811 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.810 -0.692 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.733 -2.081 -2.033 1.00 0.00 H new ATOM 1826 N ALA A 110 109.837 2.159 -5.274 1.00 0.00 N ATOM 1827 CA ALA A 110 109.092 3.438 -5.485 1.00 0.00 C ATOM 1828 C ALA A 110 107.785 3.174 -6.253 1.00 0.00 C ATOM 1829 O ALA A 110 107.662 2.133 -6.871 1.00 0.00 O ATOM 1830 CB ALA A 110 110.034 4.327 -6.300 1.00 0.00 C ATOM 0 H ALA A 110 109.777 1.498 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 110 108.812 3.910 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.553 5.286 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.955 4.490 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.266 3.840 -7.247 1.00 0.00 H new ATOM 1836 N PRO A 111 106.842 4.105 -6.202 1.00 0.00 N ATOM 1837 CA PRO A 111 105.561 3.952 -6.969 1.00 0.00 C ATOM 1838 C PRO A 111 105.816 3.838 -8.479 1.00 0.00 C ATOM 1839 O PRO A 111 105.072 3.177 -9.183 1.00 0.00 O ATOM 1840 CB PRO A 111 104.802 5.242 -6.647 1.00 0.00 C ATOM 1841 CG PRO A 111 105.368 5.667 -5.337 1.00 0.00 C ATOM 1842 CD PRO A 111 106.833 5.373 -5.443 1.00 0.00 C ATOM 0 HA PRO A 111 105.017 3.048 -6.697 1.00 0.00 H new ATOM 0 HB2 PRO A 111 104.957 6.000 -7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.728 5.069 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.189 6.726 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.913 5.119 -4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.370 6.164 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.299 5.265 -4.463 1.00 0.00 H new ATOM 1850 N MET A 112 106.856 4.478 -8.964 1.00 0.00 N ATOM 1851 CA MET A 112 107.162 4.464 -10.429 1.00 0.00 C ATOM 1852 C MET A 112 108.681 4.445 -10.665 1.00 0.00 C ATOM 1853 O MET A 112 109.449 4.679 -9.749 1.00 0.00 O ATOM 1854 CB MET A 112 106.460 5.699 -11.043 1.00 0.00 C ATOM 1855 CG MET A 112 107.192 7.037 -10.815 1.00 0.00 C ATOM 1856 SD MET A 112 107.105 7.556 -9.082 1.00 0.00 S ATOM 1857 CE MET A 112 105.380 8.104 -9.094 1.00 0.00 C ATOM 0 H MET A 112 107.513 5.016 -8.398 1.00 0.00 H new ATOM 0 HA MET A 112 106.788 3.563 -10.915 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.348 5.540 -12.116 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.456 5.774 -10.625 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.235 6.937 -11.114 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.751 7.806 -11.449 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.144 8.585 -8.145 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.229 8.814 -9.907 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.726 7.244 -9.237 1.00 0.00 H new ATOM 1867 N LYS A 113 109.097 4.171 -11.882 1.00 0.00 N ATOM 1868 CA LYS A 113 110.561 4.034 -12.180 1.00 0.00 C ATOM 1869 C LYS A 113 111.229 5.413 -12.193 1.00 0.00 C ATOM 1870 O LYS A 113 111.090 6.168 -13.140 1.00 0.00 O ATOM 1871 CB LYS A 113 110.659 3.375 -13.559 1.00 0.00 C ATOM 1872 CG LYS A 113 112.088 2.878 -13.789 1.00 0.00 C ATOM 1873 CD LYS A 113 112.102 1.866 -14.936 1.00 0.00 C ATOM 1874 CE LYS A 113 111.888 2.594 -16.265 1.00 0.00 C ATOM 1875 NZ LYS A 113 113.236 3.104 -16.644 1.00 0.00 N ATOM 0 H LYS A 113 108.482 4.036 -12.685 1.00 0.00 H new ATOM 0 HA LYS A 113 111.068 3.436 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 113 109.958 2.543 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.382 4.089 -14.335 1.00 0.00 H new ATOM 0 HG2 LYS A 113 112.742 3.718 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 113 112.474 2.417 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 113 113.052 1.332 -14.951 1.00 0.00 H new ATOM 0 HD3 LYS A 113 111.320 1.122 -14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 113 111.492 1.920 -17.025 1.00 0.00 H new ATOM 0 HE3 LYS A 113 111.173 3.409 -16.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 113.222 3.419 -17.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 113.490 3.904 -16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 113.938 2.345 -16.532 1.00 0.00 H new ATOM 1889 N LEU A 114 111.955 5.735 -11.142 1.00 0.00 N ATOM 1890 CA LEU A 114 112.658 7.062 -11.052 1.00 0.00 C ATOM 1891 C LEU A 114 113.667 7.237 -12.194 1.00 0.00 C ATOM 1892 O LEU A 114 113.873 8.338 -12.670 1.00 0.00 O ATOM 1893 CB LEU A 114 113.394 7.069 -9.707 1.00 0.00 C ATOM 1894 CG LEU A 114 112.380 7.027 -8.561 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.108 6.737 -7.248 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.668 8.377 -8.459 1.00 0.00 C ATOM 0 H LEU A 114 112.092 5.128 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 114 111.941 7.879 -11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.064 6.211 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.012 7.963 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 114 111.648 6.243 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.387 6.707 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.617 5.776 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 114 113.840 7.522 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 114 110.946 8.347 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.400 9.161 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.149 8.586 -9.395 1.00 0.00 H new ATOM 1908 N ARG A 115 114.283 6.159 -12.630 1.00 0.00 N ATOM 1909 CA ARG A 115 115.365 6.252 -13.670 1.00 0.00 C ATOM 1910 C ARG A 115 114.817 6.829 -14.980 1.00 0.00 C ATOM 1911 O ARG A 115 115.525 7.527 -15.684 1.00 0.00 O ATOM 1912 CB ARG A 115 115.873 4.827 -13.907 1.00 0.00 C ATOM 1913 CG ARG A 115 116.534 4.299 -12.632 1.00 0.00 C ATOM 1914 CD ARG A 115 117.114 2.906 -12.893 1.00 0.00 C ATOM 1915 NE ARG A 115 118.330 3.118 -13.746 1.00 0.00 N ATOM 1916 CZ ARG A 115 119.334 2.263 -13.782 1.00 0.00 C ATOM 1917 NH1 ARG A 115 119.346 1.141 -13.099 1.00 0.00 N ATOM 1918 NH2 ARG A 115 120.359 2.539 -14.541 1.00 0.00 N ATOM 0 H ARG A 115 114.081 5.212 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 115 116.163 6.912 -13.330 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.046 4.178 -14.195 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.588 4.817 -14.730 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.324 4.979 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 115 115.804 4.255 -11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 115 117.375 2.410 -11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 115 116.388 2.270 -13.399 1.00 0.00 H new ATOM 0 HE ARG A 115 118.383 3.958 -14.322 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.553 0.897 -12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 115 120.148 0.514 -13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 115 120.371 3.399 -15.089 1.00 0.00 H new ATOM 0 HH22 ARG A 115 121.148 1.894 -14.587 1.00 0.00 H new ATOM 1932 N GLU A 116 113.574 6.539 -15.291 1.00 0.00 N ATOM 1933 CA GLU A 116 112.953 7.082 -16.540 1.00 0.00 C ATOM 1934 C GLU A 116 112.551 8.540 -16.311 1.00 0.00 C ATOM 1935 O GLU A 116 112.904 9.407 -17.090 1.00 0.00 O ATOM 1936 CB GLU A 116 111.725 6.211 -16.828 1.00 0.00 C ATOM 1937 CG GLU A 116 111.151 6.567 -18.201 1.00 0.00 C ATOM 1938 CD GLU A 116 109.853 5.789 -18.433 1.00 0.00 C ATOM 1939 OE1 GLU A 116 109.044 5.737 -17.522 1.00 0.00 O ATOM 1940 OE2 GLU A 116 109.692 5.258 -19.520 1.00 0.00 O ATOM 0 H GLU A 116 112.962 5.947 -14.730 1.00 0.00 H new ATOM 0 HA GLU A 116 113.642 7.058 -17.385 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.000 5.157 -16.800 1.00 0.00 H new ATOM 0 HB3 GLU A 116 110.970 6.363 -16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.960 7.639 -18.260 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.874 6.329 -18.981 1.00 0.00 H new ATOM 1947 N GLN A 117 111.833 8.809 -15.243 1.00 0.00 N ATOM 1948 CA GLN A 117 111.256 10.180 -15.025 1.00 0.00 C ATOM 1949 C GLN A 117 112.363 11.233 -14.889 1.00 0.00 C ATOM 1950 O GLN A 117 112.179 12.370 -15.288 1.00 0.00 O ATOM 1951 CB GLN A 117 110.436 10.108 -13.733 1.00 0.00 C ATOM 1952 CG GLN A 117 109.216 9.210 -13.952 1.00 0.00 C ATOM 1953 CD GLN A 117 108.248 9.373 -12.778 1.00 0.00 C ATOM 1954 OE1 GLN A 117 108.646 9.302 -11.633 1.00 0.00 O ATOM 1955 NE2 GLN A 117 106.984 9.592 -13.018 1.00 0.00 N ATOM 0 H GLN A 117 111.620 8.134 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 117 110.640 10.474 -15.875 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.049 9.715 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 117 110.117 11.107 -13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 117 108.720 9.473 -14.886 1.00 0.00 H new ATOM 0 HG3 GLN A 117 109.528 8.169 -14.039 1.00 0.00 H new ATOM 0 HE21 GLN A 117 106.650 9.652 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.330 9.704 -12.244 1.00 0.00 H new ATOM 1964 N PHE A 118 113.493 10.857 -14.335 1.00 0.00 N ATOM 1965 CA PHE A 118 114.604 11.837 -14.112 1.00 0.00 C ATOM 1966 C PHE A 118 115.773 11.634 -15.090 1.00 0.00 C ATOM 1967 O PHE A 118 116.805 12.262 -14.932 1.00 0.00 O ATOM 1968 CB PHE A 118 115.065 11.579 -12.677 1.00 0.00 C ATOM 1969 CG PHE A 118 114.078 12.051 -11.636 1.00 0.00 C ATOM 1970 CD1 PHE A 118 114.096 13.413 -11.200 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.126 11.138 -11.085 1.00 0.00 C ATOM 1972 CE1 PHE A 118 113.162 13.860 -10.215 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.193 11.585 -10.100 1.00 0.00 C ATOM 1974 CZ PHE A 118 112.211 12.947 -9.665 1.00 0.00 C ATOM 0 H PHE A 118 113.694 9.906 -14.026 1.00 0.00 H new ATOM 0 HA PHE A 118 114.261 12.859 -14.276 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.238 10.511 -12.545 1.00 0.00 H new ATOM 0 HB3 PHE A 118 116.020 12.079 -12.515 1.00 0.00 H new ATOM 0 HD1 PHE A 118 114.815 14.104 -11.615 1.00 0.00 H new ATOM 0 HD2 PHE A 118 113.112 10.109 -11.414 1.00 0.00 H new ATOM 0 HE1 PHE A 118 113.175 14.889 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 118 111.474 10.895 -9.684 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.506 13.285 -8.921 1.00 0.00 H new ATOM 1984 N ASN A 119 115.640 10.779 -16.093 1.00 0.00 N ATOM 1985 CA ASN A 119 116.741 10.536 -17.094 1.00 0.00 C ATOM 1986 C ASN A 119 118.079 10.206 -16.406 1.00 0.00 C ATOM 1987 O ASN A 119 119.116 10.755 -16.744 1.00 0.00 O ATOM 1988 CB ASN A 119 116.840 11.824 -17.925 1.00 0.00 C ATOM 1989 CG ASN A 119 115.555 12.016 -18.733 1.00 0.00 C ATOM 1990 OD1 ASN A 119 114.931 13.056 -18.668 1.00 0.00 O ATOM 1991 ND2 ASN A 119 115.130 11.049 -19.500 1.00 0.00 N ATOM 0 H ASN A 119 114.796 10.230 -16.260 1.00 0.00 H new ATOM 0 HA ASN A 119 116.518 9.672 -17.720 1.00 0.00 H new ATOM 0 HB2 ASN A 119 117.000 12.680 -17.269 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.698 11.771 -18.595 1.00 0.00 H new ATOM 0 HD21 ASN A 119 114.275 11.167 -20.044 1.00 0.00 H new ATOM 0 HD22 ASN A 119 115.653 10.175 -19.556 1.00 0.00 H new ATOM 1998 N LEU A 120 118.050 9.307 -15.447 1.00 0.00 N ATOM 1999 CA LEU A 120 119.237 9.084 -14.562 1.00 0.00 C ATOM 2000 C LEU A 120 120.152 7.996 -15.131 1.00 0.00 C ATOM 2001 O LEU A 120 119.684 6.979 -15.614 1.00 0.00 O ATOM 2002 CB LEU A 120 118.667 8.647 -13.210 1.00 0.00 C ATOM 2003 CG LEU A 120 117.981 9.836 -12.534 1.00 0.00 C ATOM 2004 CD1 LEU A 120 117.150 9.339 -11.350 1.00 0.00 C ATOM 2005 CD2 LEU A 120 119.044 10.816 -12.034 1.00 0.00 C ATOM 0 H LEU A 120 117.246 8.714 -15.240 1.00 0.00 H new ATOM 0 HA LEU A 120 119.842 9.987 -14.477 1.00 0.00 H new ATOM 0 HB2 LEU A 120 117.954 7.834 -13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.465 8.265 -12.574 1.00 0.00 H new ATOM 0 HG LEU A 120 117.329 10.337 -13.250 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.661 10.185 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.395 8.637 -11.704 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.801 8.839 -10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.559 11.664 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.693 10.314 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.639 11.169 -12.877 1.00 0.00 H new ATOM 2017 N LYS A 121 121.444 8.217 -15.069 1.00 0.00 N ATOM 2018 CA LYS A 121 122.434 7.188 -15.511 1.00 0.00 C ATOM 2019 C LYS A 121 123.303 6.760 -14.324 1.00 0.00 C ATOM 2020 O LYS A 121 123.403 7.474 -13.341 1.00 0.00 O ATOM 2021 CB LYS A 121 123.290 7.883 -16.571 1.00 0.00 C ATOM 2022 CG LYS A 121 122.439 8.178 -17.809 1.00 0.00 C ATOM 2023 CD LYS A 121 123.323 8.777 -18.906 1.00 0.00 C ATOM 2024 CE LYS A 121 122.454 9.187 -20.095 1.00 0.00 C ATOM 2025 NZ LYS A 121 122.264 7.935 -20.881 1.00 0.00 N ATOM 0 H LYS A 121 121.859 9.083 -14.724 1.00 0.00 H new ATOM 0 HA LYS A 121 121.952 6.292 -15.903 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.700 8.810 -16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 121 124.136 7.251 -16.841 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.968 7.262 -18.166 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.637 8.871 -17.555 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.862 9.642 -18.521 1.00 0.00 H new ATOM 0 HD3 LYS A 121 124.071 8.050 -19.222 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.499 9.595 -19.764 1.00 0.00 H new ATOM 0 HE3 LYS A 121 122.940 9.958 -20.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 121.734 8.148 -21.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 123.192 7.537 -21.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 121.733 7.245 -20.312 1.00 0.00 H new ATOM 2039 N ASP A 122 123.933 5.608 -14.414 1.00 0.00 N ATOM 2040 CA ASP A 122 124.797 5.094 -13.290 1.00 0.00 C ATOM 2041 C ASP A 122 125.893 6.104 -12.917 1.00 0.00 C ATOM 2042 O ASP A 122 126.500 6.707 -13.785 1.00 0.00 O ATOM 2043 CB ASP A 122 125.442 3.802 -13.805 1.00 0.00 C ATOM 2044 CG ASP A 122 124.360 2.744 -14.041 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.499 2.603 -13.189 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.413 2.094 -15.073 1.00 0.00 O ATOM 0 H ASP A 122 123.886 4.993 -15.227 1.00 0.00 H new ATOM 0 HA ASP A 122 124.198 4.928 -12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.981 3.998 -14.732 1.00 0.00 H new ATOM 0 HB3 ASP A 122 126.172 3.435 -13.083 1.00 0.00 H new ATOM 2051 N GLY A 123 126.135 6.279 -11.637 1.00 0.00 N ATOM 2052 CA GLY A 123 127.154 7.268 -11.169 1.00 0.00 C ATOM 2053 C GLY A 123 126.489 8.567 -10.696 1.00 0.00 C ATOM 2054 O GLY A 123 127.078 9.295 -9.916 1.00 0.00 O ATOM 0 H GLY A 123 125.662 5.771 -10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.736 6.837 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.851 7.487 -11.978 1.00 0.00 H new ATOM 2058 N ASP A 124 125.287 8.865 -11.152 1.00 0.00 N ATOM 2059 CA ASP A 124 124.591 10.127 -10.721 1.00 0.00 C ATOM 2060 C ASP A 124 124.278 10.069 -9.222 1.00 0.00 C ATOM 2061 O ASP A 124 124.117 8.996 -8.670 1.00 0.00 O ATOM 2062 CB ASP A 124 123.296 10.222 -11.538 1.00 0.00 C ATOM 2063 CG ASP A 124 123.566 10.932 -12.867 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.295 11.912 -12.863 1.00 0.00 O ATOM 2065 OD2 ASP A 124 123.033 10.486 -13.869 1.00 0.00 O ATOM 0 H ASP A 124 124.759 8.286 -11.805 1.00 0.00 H new ATOM 0 HA ASP A 124 125.219 11.001 -10.892 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.899 9.224 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.539 10.766 -10.973 1.00 0.00 H new ATOM 2070 N VAL A 125 124.195 11.210 -8.578 1.00 0.00 N ATOM 2071 CA VAL A 125 124.022 11.247 -7.091 1.00 0.00 C ATOM 2072 C VAL A 125 122.617 11.764 -6.755 1.00 0.00 C ATOM 2073 O VAL A 125 122.169 12.755 -7.304 1.00 0.00 O ATOM 2074 CB VAL A 125 125.113 12.198 -6.559 1.00 0.00 C ATOM 2075 CG1 VAL A 125 125.049 12.285 -5.029 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.505 11.684 -6.947 1.00 0.00 C ATOM 0 H VAL A 125 124.240 12.126 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 125 124.120 10.261 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 125 124.939 13.181 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.826 12.960 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 125 124.072 12.662 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.204 11.294 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.264 12.366 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.659 10.693 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.582 11.627 -8.033 1.00 0.00 H new ATOM 2086 N ILE A 126 121.934 11.088 -5.858 1.00 0.00 N ATOM 2087 CA ILE A 126 120.603 11.567 -5.365 1.00 0.00 C ATOM 2088 C ILE A 126 120.607 11.597 -3.833 1.00 0.00 C ATOM 2089 O ILE A 126 121.427 10.949 -3.208 1.00 0.00 O ATOM 2090 CB ILE A 126 119.551 10.581 -5.905 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.848 9.140 -5.461 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.532 10.637 -7.434 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.616 8.267 -5.705 1.00 0.00 C ATOM 0 H ILE A 126 122.249 10.212 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 126 120.380 12.577 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 126 118.582 10.873 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.701 8.746 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.117 9.122 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.787 9.938 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.281 11.647 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.514 10.365 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.826 7.245 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.774 8.657 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.368 8.276 -6.766 1.00 0.00 H new ATOM 2105 N LYS A 127 119.699 12.339 -3.242 1.00 0.00 N ATOM 2106 CA LYS A 127 119.688 12.506 -1.756 1.00 0.00 C ATOM 2107 C LYS A 127 118.502 11.754 -1.148 1.00 0.00 C ATOM 2108 O LYS A 127 117.415 11.768 -1.695 1.00 0.00 O ATOM 2109 CB LYS A 127 119.541 14.011 -1.524 1.00 0.00 C ATOM 2110 CG LYS A 127 120.809 14.729 -1.991 1.00 0.00 C ATOM 2111 CD LYS A 127 120.704 16.219 -1.656 1.00 0.00 C ATOM 2112 CE LYS A 127 121.925 16.955 -2.212 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.601 18.402 -2.063 1.00 0.00 N ATOM 0 H LYS A 127 118.959 12.840 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 127 120.590 12.108 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.675 14.390 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.366 14.211 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.684 14.297 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.941 14.595 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.791 16.635 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.644 16.356 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.829 16.694 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 127 122.102 16.695 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.392 18.974 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 120.740 18.622 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 121.445 18.621 -1.058 1.00 0.00 H new ATOM 2127 N ILE A 128 118.713 11.104 -0.026 1.00 0.00 N ATOM 2128 CA ILE A 128 117.589 10.444 0.712 1.00 0.00 C ATOM 2129 C ILE A 128 117.310 11.203 2.014 1.00 0.00 C ATOM 2130 O ILE A 128 118.226 11.609 2.709 1.00 0.00 O ATOM 2131 CB ILE A 128 118.021 8.993 0.981 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.347 8.930 1.755 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.186 8.259 -0.353 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.568 7.509 2.281 1.00 0.00 C ATOM 0 H ILE A 128 119.628 11.002 0.414 1.00 0.00 H new ATOM 0 HA ILE A 128 116.665 10.452 0.134 1.00 0.00 H new ATOM 0 HB ILE A 128 117.249 8.519 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.173 9.221 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.329 9.637 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.492 7.230 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.238 8.264 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.946 8.761 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.509 7.466 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.748 7.235 2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.605 6.813 1.443 1.00 0.00 H new ATOM 2146 N LEU A 129 116.050 11.392 2.330 1.00 0.00 N ATOM 2147 CA LEU A 129 115.660 12.248 3.492 1.00 0.00 C ATOM 2148 C LEU A 129 115.142 11.370 4.635 1.00 0.00 C ATOM 2149 O LEU A 129 114.347 10.474 4.414 1.00 0.00 O ATOM 2150 CB LEU A 129 114.539 13.139 2.941 1.00 0.00 C ATOM 2151 CG LEU A 129 114.101 14.171 3.992 1.00 0.00 C ATOM 2152 CD1 LEU A 129 114.940 15.444 3.856 1.00 0.00 C ATOM 2153 CD2 LEU A 129 112.624 14.525 3.789 1.00 0.00 C ATOM 0 H LEU A 129 115.265 10.982 1.823 1.00 0.00 H new ATOM 0 HA LEU A 129 116.491 12.829 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 129 114.883 13.651 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.687 12.524 2.651 1.00 0.00 H new ATOM 0 HG LEU A 129 114.244 13.742 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 129 114.623 16.170 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 129 115.993 15.204 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 129 114.803 15.866 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 129 112.319 15.257 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.484 14.944 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 129 112.017 13.626 3.893 1.00 0.00 H new