USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 794 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 Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.743 (180deg=-1.49!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.137 (180deg=-0.606) USER MOD Single : A 30 THR OG1 : rot -102:sc= 0.217 USER MOD Single : A 31 THR OG1 : rot -65:sc= 0.764 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -111:sc= -0.0259 (180deg=-2.31!) USER MOD Single : A 42 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.38) USER MOD Single : A 46 TYR OH : rot 53:sc= 0.875 USER MOD Single : A 47 CYS SG : rot 77:sc= -0.57 USER MOD Single : A 48 THR OG1 : rot 76:sc= 0.747 USER MOD Single : A 54 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 64 LYS NZ :NH3+ 154:sc= -0.034 (180deg=-0.665) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -176:sc= -1.04 (180deg=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 156:sc= -1.27 (180deg=-3.89!) USER MOD Single : A 71 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.025) USER MOD Single : A 72 GLN : amide:sc= -0.963 K(o=-0.96,f=-4.5!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.047 USER MOD Single : A 79 ASN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 90 GLN : amide:sc= -5.42! C(o=-5.4!,f=-5.2!) USER MOD Single : A 94 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -89:sc= -1.63! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -170:sc=-0.000577 (180deg=-0.0813) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.026 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 11.878 -4.523 -0.234 1.00 0.00 N ATOM 2 CA ALA A 8 12.362 -3.160 -0.411 1.00 0.00 C ATOM 3 C ALA A 8 11.434 -2.157 0.263 1.00 0.00 C ATOM 4 O ALA A 8 10.288 -1.980 -0.152 1.00 0.00 O ATOM 5 CB ALA A 8 12.505 -2.838 -1.891 1.00 0.00 C ATOM 0 HA ALA A 8 13.341 -3.084 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.867 -1.817 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.214 -3.529 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.536 -2.937 -2.380 1.00 0.00 H new ATOM 11 N ALA A 9 11.934 -1.502 1.306 1.00 0.00 N ATOM 12 CA ALA A 9 11.149 -0.514 2.037 1.00 0.00 C ATOM 13 C ALA A 9 11.664 0.898 1.778 1.00 0.00 C ATOM 14 O ALA A 9 12.799 1.100 1.347 1.00 0.00 O ATOM 15 CB ALA A 9 11.170 -0.821 3.527 1.00 0.00 C ATOM 0 H ALA A 9 12.879 -1.638 1.664 1.00 0.00 H new ATOM 0 HA ALA A 9 10.120 -0.568 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.580 -0.076 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.747 -1.811 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.198 -0.797 3.889 1.00 0.00 H new ATOM 21 N PRO A 10 10.811 1.897 2.046 1.00 0.00 N ATOM 22 CA PRO A 10 11.158 3.308 1.850 1.00 0.00 C ATOM 23 C PRO A 10 12.198 3.794 2.854 1.00 0.00 C ATOM 24 O PRO A 10 11.865 4.152 3.983 1.00 0.00 O ATOM 25 CB PRO A 10 9.828 4.034 2.064 1.00 0.00 C ATOM 26 CG PRO A 10 9.038 3.127 2.942 1.00 0.00 C ATOM 27 CD PRO A 10 9.443 1.729 2.563 1.00 0.00 C ATOM 0 HA PRO A 10 11.603 3.486 0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.979 5.006 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.318 4.212 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.247 3.322 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.968 3.277 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.418 1.057 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.778 1.309 1.809 1.00 0.00 H new ATOM 35 N ASN A 11 13.460 3.804 2.435 1.00 0.00 N ATOM 36 CA ASN A 11 14.548 4.246 3.298 1.00 0.00 C ATOM 37 C ASN A 11 15.106 5.587 2.827 1.00 0.00 C ATOM 38 O ASN A 11 15.597 6.383 3.629 1.00 0.00 O ATOM 39 CB ASN A 11 15.663 3.199 3.325 1.00 0.00 C ATOM 40 CG ASN A 11 16.753 3.539 4.324 1.00 0.00 C ATOM 41 OD1 ASN A 11 16.484 3.738 5.509 1.00 0.00 O ATOM 42 ND2 ASN A 11 17.991 3.609 3.848 1.00 0.00 N ATOM 0 H ASN A 11 13.753 3.511 1.503 1.00 0.00 H new ATOM 0 HA ASN A 11 14.151 4.371 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.238 2.226 3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.100 3.112 2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 11 18.765 3.835 4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.167 3.436 2.858 1.00 0.00 H new ATOM 49 N LEU A 12 15.027 5.829 1.524 1.00 0.00 N ATOM 50 CA LEU A 12 15.522 7.073 0.946 1.00 0.00 C ATOM 51 C LEU A 12 14.404 8.106 0.836 1.00 0.00 C ATOM 52 O LEU A 12 14.540 9.235 1.307 1.00 0.00 O ATOM 53 CB LEU A 12 16.127 6.812 -0.434 1.00 0.00 C ATOM 54 CG LEU A 12 16.502 8.050 -1.249 1.00 0.00 C ATOM 55 CD1 LEU A 12 17.683 8.769 -0.617 1.00 0.00 C ATOM 56 CD2 LEU A 12 16.816 7.668 -2.687 1.00 0.00 C ATOM 0 H LEU A 12 14.625 5.180 0.847 1.00 0.00 H new ATOM 0 HA LEU A 12 16.294 7.469 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.021 6.201 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.417 6.222 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 12 15.649 8.729 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.935 9.647 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.421 9.079 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 12 18.541 8.097 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.081 8.562 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.651 6.968 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.941 7.200 -3.138 1.00 0.00 H new ATOM 68 N ALA A 13 13.300 7.710 0.212 1.00 0.00 N ATOM 69 CA ALA A 13 12.157 8.599 0.044 1.00 0.00 C ATOM 70 C ALA A 13 10.886 7.972 0.606 1.00 0.00 C ATOM 71 O ALA A 13 10.792 6.752 0.743 1.00 0.00 O ATOM 72 CB ALA A 13 11.971 8.948 -1.425 1.00 0.00 C ATOM 0 H ALA A 13 13.173 6.779 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 13 12.356 9.515 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.114 9.612 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.866 9.446 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.799 8.036 -1.997 1.00 0.00 H new ATOM 78 N GLY A 14 9.908 8.813 0.930 1.00 0.00 N ATOM 79 CA GLY A 14 8.656 8.322 1.473 1.00 0.00 C ATOM 80 C GLY A 14 7.556 8.260 0.432 1.00 0.00 C ATOM 81 O GLY A 14 6.373 8.235 0.770 1.00 0.00 O ATOM 0 H GLY A 14 9.961 9.826 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.811 7.328 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.341 8.968 2.292 1.00 0.00 H new ATOM 85 N ALA A 15 7.946 8.238 -0.838 1.00 0.00 N ATOM 86 CA ALA A 15 6.985 8.178 -1.932 1.00 0.00 C ATOM 87 C ALA A 15 5.963 9.305 -1.827 1.00 0.00 C ATOM 88 O ALA A 15 4.757 9.072 -1.902 1.00 0.00 O ATOM 89 CB ALA A 15 6.284 6.828 -1.946 1.00 0.00 C ATOM 0 H ALA A 15 8.922 8.261 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 15 7.530 8.302 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.569 6.798 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.022 6.036 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.758 6.681 -1.003 1.00 0.00 H new ATOM 95 N VAL A 16 6.454 10.528 -1.650 1.00 0.00 N ATOM 96 CA VAL A 16 5.584 11.692 -1.535 1.00 0.00 C ATOM 97 C VAL A 16 4.727 11.863 -2.784 1.00 0.00 C ATOM 98 O VAL A 16 3.645 12.447 -2.730 1.00 0.00 O ATOM 99 CB VAL A 16 6.396 12.980 -1.303 1.00 0.00 C ATOM 100 CG1 VAL A 16 7.226 12.867 -0.033 1.00 0.00 C ATOM 101 CG2 VAL A 16 7.284 13.274 -2.503 1.00 0.00 C ATOM 0 H VAL A 16 7.450 10.738 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 16 4.937 11.519 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 16 5.700 13.810 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.793 13.786 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.566 12.707 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.914 12.027 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.850 14.187 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.974 12.444 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.665 13.401 -3.391 1.00 0.00 H new ATOM 111 N GLU A 17 5.218 11.349 -3.907 1.00 0.00 N ATOM 112 CA GLU A 17 4.496 11.447 -5.171 1.00 0.00 C ATOM 113 C GLU A 17 3.686 10.181 -5.432 1.00 0.00 C ATOM 114 O GLU A 17 4.040 9.096 -4.969 1.00 0.00 O ATOM 115 CB GLU A 17 5.472 11.688 -6.324 1.00 0.00 C ATOM 116 CG GLU A 17 5.825 13.153 -6.526 1.00 0.00 C ATOM 117 CD GLU A 17 4.774 13.901 -7.322 1.00 0.00 C ATOM 118 OE1 GLU A 17 3.572 13.712 -7.045 1.00 0.00 O ATOM 119 OE2 GLU A 17 5.155 14.678 -8.223 1.00 0.00 O ATOM 0 H GLU A 17 6.112 10.861 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 17 3.809 12.291 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.387 11.125 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.038 11.297 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.948 13.631 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.784 13.225 -7.040 1.00 0.00 H new ATOM 126 N PHE A 18 2.596 10.327 -6.179 1.00 0.00 N ATOM 127 CA PHE A 18 1.733 9.196 -6.501 1.00 0.00 C ATOM 128 C PHE A 18 2.458 8.197 -7.397 1.00 0.00 C ATOM 129 O PHE A 18 2.232 6.991 -7.310 1.00 0.00 O ATOM 130 CB PHE A 18 0.456 9.682 -7.190 1.00 0.00 C ATOM 131 CG PHE A 18 -0.445 8.567 -7.637 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.732 7.508 -6.791 1.00 0.00 C ATOM 133 CD2 PHE A 18 -1.007 8.578 -8.904 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.561 6.481 -7.200 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.837 7.554 -9.319 1.00 0.00 C ATOM 136 CZ PHE A 18 -2.115 6.504 -8.465 1.00 0.00 C ATOM 0 H PHE A 18 2.290 11.217 -6.572 1.00 0.00 H new ATOM 0 HA PHE A 18 1.468 8.696 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.092 10.330 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.727 10.288 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.303 7.485 -5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.794 9.397 -9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.776 5.661 -6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.268 7.574 -10.309 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.764 5.703 -8.786 1.00 0.00 H new ATOM 146 N SER A 19 3.331 8.709 -8.259 1.00 0.00 N ATOM 147 CA SER A 19 4.088 7.863 -9.174 1.00 0.00 C ATOM 148 C SER A 19 5.052 6.961 -8.410 1.00 0.00 C ATOM 149 O SER A 19 5.298 5.821 -8.803 1.00 0.00 O ATOM 150 CB SER A 19 4.862 8.723 -10.176 1.00 0.00 C ATOM 151 OG SER A 19 4.002 9.637 -10.835 1.00 0.00 O ATOM 0 H SER A 19 3.531 9.706 -8.343 1.00 0.00 H new ATOM 0 HA SER A 19 3.381 7.234 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.650 9.269 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.348 8.082 -10.911 1.00 0.00 H new ATOM 0 HG SER A 19 4.521 10.176 -11.468 1.00 0.00 H new ATOM 157 N ASP A 20 5.596 7.482 -7.315 1.00 0.00 N ATOM 158 CA ASP A 20 6.534 6.724 -6.494 1.00 0.00 C ATOM 159 C ASP A 20 5.849 5.517 -5.861 1.00 0.00 C ATOM 160 O ASP A 20 6.459 4.460 -5.696 1.00 0.00 O ATOM 161 CB ASP A 20 7.128 7.619 -5.404 1.00 0.00 C ATOM 162 CG ASP A 20 8.358 8.368 -5.877 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.441 7.750 -5.937 1.00 0.00 O ATOM 164 OD2 ASP A 20 8.237 9.572 -6.185 1.00 0.00 O ATOM 0 H ASP A 20 5.404 8.425 -6.976 1.00 0.00 H new ATOM 0 HA ASP A 20 7.337 6.367 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.375 8.335 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.388 7.009 -4.539 1.00 0.00 H new ATOM 169 N VAL A 21 4.578 5.682 -5.506 1.00 0.00 N ATOM 170 CA VAL A 21 3.811 4.606 -4.892 1.00 0.00 C ATOM 171 C VAL A 21 3.536 3.486 -5.891 1.00 0.00 C ATOM 172 O VAL A 21 3.493 2.311 -5.526 1.00 0.00 O ATOM 173 CB VAL A 21 2.471 5.120 -4.333 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.752 4.018 -3.570 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.696 6.335 -3.446 1.00 0.00 C ATOM 0 H VAL A 21 4.059 6.551 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 21 4.414 4.217 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 21 1.840 5.420 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.808 4.400 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.557 3.180 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.375 3.683 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.739 6.685 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.346 6.063 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.165 7.129 -4.028 1.00 0.00 H new ATOM 185 N LYS A 22 3.352 3.859 -7.152 1.00 0.00 N ATOM 186 CA LYS A 22 3.082 2.888 -8.206 1.00 0.00 C ATOM 187 C LYS A 22 4.275 1.959 -8.407 1.00 0.00 C ATOM 188 O LYS A 22 4.111 0.776 -8.709 1.00 0.00 O ATOM 189 CB LYS A 22 2.755 3.605 -9.517 1.00 0.00 C ATOM 190 CG LYS A 22 1.413 4.319 -9.502 1.00 0.00 C ATOM 191 CD LYS A 22 0.965 4.692 -10.904 1.00 0.00 C ATOM 192 CE LYS A 22 1.579 6.008 -11.356 1.00 0.00 C ATOM 193 NZ LYS A 22 2.976 5.829 -11.842 1.00 0.00 N ATOM 0 H LYS A 22 3.385 4.828 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 22 2.223 2.289 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.540 4.330 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.762 2.879 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.664 3.678 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.485 5.219 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.246 3.901 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.122 4.769 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.970 6.439 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.570 6.717 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.224 6.611 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.628 5.824 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.053 4.927 -12.353 1.00 0.00 H new ATOM 207 N THR A 23 5.476 2.501 -8.236 1.00 0.00 N ATOM 208 CA THR A 23 6.697 1.720 -8.399 1.00 0.00 C ATOM 209 C THR A 23 6.986 0.886 -7.155 1.00 0.00 C ATOM 210 O THR A 23 7.368 -0.281 -7.253 1.00 0.00 O ATOM 211 CB THR A 23 7.909 2.626 -8.688 1.00 0.00 C ATOM 212 OG1 THR A 23 7.623 3.488 -9.794 1.00 0.00 O ATOM 213 CG2 THR A 23 9.146 1.794 -8.992 1.00 0.00 C ATOM 0 H THR A 23 5.630 3.477 -7.985 1.00 0.00 H new ATOM 0 HA THR A 23 6.537 1.057 -9.249 1.00 0.00 H new ATOM 0 HB THR A 23 8.105 3.228 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.398 4.062 -9.970 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.989 2.455 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.378 1.160 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.959 1.169 -9.865 1.00 0.00 H new ATOM 221 N LEU A 24 6.800 1.490 -5.988 1.00 0.00 N ATOM 222 CA LEU A 24 7.040 0.802 -4.724 1.00 0.00 C ATOM 223 C LEU A 24 6.099 -0.387 -4.563 1.00 0.00 C ATOM 224 O LEU A 24 6.476 -1.422 -4.011 1.00 0.00 O ATOM 225 CB LEU A 24 6.863 1.769 -3.552 1.00 0.00 C ATOM 226 CG LEU A 24 7.356 1.275 -2.191 1.00 0.00 C ATOM 227 CD1 LEU A 24 7.657 2.449 -1.274 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.329 0.348 -1.556 1.00 0.00 C ATOM 0 H LEU A 24 6.484 2.455 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 24 8.065 0.432 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.385 2.696 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.804 2.013 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 24 8.278 0.714 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.006 2.078 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.429 3.074 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.752 3.039 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.696 0.006 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.390 0.885 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.164 -0.512 -2.206 1.00 0.00 H new ATOM 240 N LEU A 25 4.873 -0.234 -5.051 1.00 0.00 N ATOM 241 CA LEU A 25 3.877 -1.296 -4.965 1.00 0.00 C ATOM 242 C LEU A 25 4.167 -2.399 -5.978 1.00 0.00 C ATOM 243 O LEU A 25 4.190 -3.581 -5.636 1.00 0.00 O ATOM 244 CB LEU A 25 2.475 -0.728 -5.199 1.00 0.00 C ATOM 245 CG LEU A 25 1.721 -0.265 -3.952 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.513 0.574 -4.339 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.296 -1.460 -3.112 1.00 0.00 C ATOM 0 H LEU A 25 4.545 0.615 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 25 3.926 -1.726 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.556 0.116 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.876 -1.488 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 25 2.391 0.354 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.011 0.894 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.842 1.450 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.159 -0.020 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.761 -1.112 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.644 -2.105 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.179 -2.021 -2.804 1.00 0.00 H new ATOM 259 N LYS A 26 4.390 -2.003 -7.226 1.00 0.00 N ATOM 260 CA LYS A 26 4.683 -2.957 -8.290 1.00 0.00 C ATOM 261 C LYS A 26 5.853 -3.857 -7.907 1.00 0.00 C ATOM 262 O LYS A 26 5.871 -5.041 -8.241 1.00 0.00 O ATOM 263 CB LYS A 26 4.999 -2.218 -9.593 1.00 0.00 C ATOM 264 CG LYS A 26 3.782 -1.987 -10.472 1.00 0.00 C ATOM 265 CD LYS A 26 3.620 -3.093 -11.502 1.00 0.00 C ATOM 266 CE LYS A 26 4.687 -3.008 -12.583 1.00 0.00 C ATOM 267 NZ LYS A 26 4.661 -1.694 -13.285 1.00 0.00 N ATOM 0 H LYS A 26 4.374 -1.028 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 26 3.801 -3.581 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.452 -1.256 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.739 -2.789 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.888 -1.933 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.875 -1.027 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.677 -4.063 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.632 -3.025 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.669 -3.162 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.536 -3.809 -13.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.126 -1.786 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.675 -1.392 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.164 -0.985 -12.714 1.00 0.00 H new ATOM 281 N GLU A 27 6.827 -3.287 -7.204 1.00 0.00 N ATOM 282 CA GLU A 27 8.000 -4.040 -6.776 1.00 0.00 C ATOM 283 C GLU A 27 7.639 -5.024 -5.667 1.00 0.00 C ATOM 284 O GLU A 27 8.051 -6.184 -5.695 1.00 0.00 O ATOM 285 CB GLU A 27 9.095 -3.087 -6.291 1.00 0.00 C ATOM 286 CG GLU A 27 9.839 -2.392 -7.418 1.00 0.00 C ATOM 287 CD GLU A 27 10.963 -3.238 -7.985 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.946 -3.484 -7.255 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.859 -3.655 -9.157 1.00 0.00 O ATOM 0 H GLU A 27 6.827 -2.308 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 27 8.371 -4.604 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.648 -2.333 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.809 -3.645 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.137 -2.147 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.248 -1.450 -7.052 1.00 0.00 H new ATOM 296 N TRP A 28 6.870 -4.553 -4.693 1.00 0.00 N ATOM 297 CA TRP A 28 6.455 -5.390 -3.574 1.00 0.00 C ATOM 298 C TRP A 28 5.528 -6.506 -4.044 1.00 0.00 C ATOM 299 O TRP A 28 5.355 -7.513 -3.356 1.00 0.00 O ATOM 300 CB TRP A 28 5.755 -4.545 -2.508 1.00 0.00 C ATOM 301 CG TRP A 28 5.156 -5.360 -1.401 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.784 -6.317 -0.657 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.810 -5.289 -0.918 1.00 0.00 C ATOM 304 NE1 TRP A 28 4.909 -6.846 0.262 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.692 -6.231 0.123 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.695 -4.521 -1.261 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.503 -6.425 0.819 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.514 -4.714 -0.568 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.426 -5.659 0.464 1.00 0.00 C ATOM 0 H TRP A 28 6.521 -3.595 -4.655 1.00 0.00 H new ATOM 0 HA TRP A 28 7.348 -5.841 -3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.472 -3.841 -2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.970 -3.955 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.816 -6.615 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.130 -7.578 0.938 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.754 -3.789 -2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.432 -7.155 1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.645 -4.127 -0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.490 -5.785 0.989 1.00 0.00 H new ATOM 320 N ILE A 29 4.934 -6.321 -5.218 1.00 0.00 N ATOM 321 CA ILE A 29 4.026 -7.314 -5.780 1.00 0.00 C ATOM 322 C ILE A 29 4.753 -8.236 -6.751 1.00 0.00 C ATOM 323 O ILE A 29 4.366 -9.390 -6.939 1.00 0.00 O ATOM 324 CB ILE A 29 2.845 -6.646 -6.509 1.00 0.00 C ATOM 325 CG1 ILE A 29 2.065 -5.749 -5.546 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.931 -7.703 -7.113 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.215 -4.709 -6.245 1.00 0.00 C ATOM 0 H ILE A 29 5.065 -5.493 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 29 3.643 -7.901 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 29 3.238 -6.027 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.424 -6.371 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.767 -5.246 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.101 -7.217 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.493 -8.306 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.543 -8.344 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.690 -4.109 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.853 -4.063 -6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.489 -5.205 -6.889 1.00 0.00 H new ATOM 339 N THR A 30 5.812 -7.721 -7.368 1.00 0.00 N ATOM 340 CA THR A 30 6.595 -8.499 -8.320 1.00 0.00 C ATOM 341 C THR A 30 7.712 -9.264 -7.620 1.00 0.00 C ATOM 342 O THR A 30 7.738 -10.496 -7.633 1.00 0.00 O ATOM 343 CB THR A 30 7.210 -7.599 -9.409 1.00 0.00 C ATOM 344 OG1 THR A 30 7.933 -6.521 -8.803 1.00 0.00 O ATOM 345 CG2 THR A 30 6.130 -7.041 -10.323 1.00 0.00 C ATOM 0 H THR A 30 6.147 -6.768 -7.225 1.00 0.00 H new ATOM 0 HA THR A 30 5.911 -9.208 -8.787 1.00 0.00 H new ATOM 0 HB THR A 30 7.893 -8.204 -10.006 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.396 -5.702 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.588 -6.409 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.601 -7.863 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.426 -6.451 -9.736 1.00 0.00 H new ATOM 353 N THR A 31 8.633 -8.528 -7.006 1.00 0.00 N ATOM 354 CA THR A 31 9.753 -9.138 -6.300 1.00 0.00 C ATOM 355 C THR A 31 9.268 -10.172 -5.290 1.00 0.00 C ATOM 356 O THR A 31 9.784 -11.288 -5.235 1.00 0.00 O ATOM 357 CB THR A 31 10.599 -8.079 -5.567 1.00 0.00 C ATOM 358 OG1 THR A 31 9.871 -7.558 -4.449 1.00 0.00 O ATOM 359 CG2 THR A 31 10.976 -6.943 -6.507 1.00 0.00 C ATOM 0 H THR A 31 8.625 -7.508 -6.983 1.00 0.00 H new ATOM 0 HA THR A 31 10.371 -9.629 -7.052 1.00 0.00 H new ATOM 0 HB THR A 31 11.513 -8.557 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.077 -7.081 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.573 -6.207 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.555 -7.338 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.071 -6.468 -6.886 1.00 0.00 H new ATOM 367 N ILE A 32 8.274 -9.794 -4.495 1.00 0.00 N ATOM 368 CA ILE A 32 7.719 -10.691 -3.487 1.00 0.00 C ATOM 369 C ILE A 32 6.520 -11.458 -4.036 1.00 0.00 C ATOM 370 O ILE A 32 5.810 -10.973 -4.917 1.00 0.00 O ATOM 371 CB ILE A 32 7.288 -9.921 -2.225 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.393 -8.961 -1.784 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.944 -10.892 -1.105 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.714 -9.644 -1.508 1.00 0.00 C ATOM 0 H ILE A 32 7.836 -8.874 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 32 8.507 -11.395 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 32 6.398 -9.337 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.538 -8.207 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.070 -8.437 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.641 -10.333 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.127 -11.539 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.818 -11.500 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.450 -8.901 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.585 -10.378 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.060 -10.145 -2.412 1.00 0.00 H new ATOM 386 N SER A 33 6.299 -12.657 -3.506 1.00 0.00 N ATOM 387 CA SER A 33 5.188 -13.493 -3.944 1.00 0.00 C ATOM 388 C SER A 33 4.290 -13.863 -2.767 1.00 0.00 C ATOM 389 O SER A 33 3.068 -13.926 -2.899 1.00 0.00 O ATOM 390 CB SER A 33 5.711 -14.762 -4.619 1.00 0.00 C ATOM 391 OG SER A 33 6.384 -15.594 -3.691 1.00 0.00 O ATOM 0 H SER A 33 6.875 -13.071 -2.773 1.00 0.00 H new ATOM 0 HA SER A 33 4.600 -12.924 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.880 -15.308 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.389 -14.493 -5.429 1.00 0.00 H new ATOM 0 HG SER A 33 6.707 -16.399 -4.147 1.00 0.00 H new ATOM 397 N ASP A 34 4.907 -14.108 -1.615 1.00 0.00 N ATOM 398 CA ASP A 34 4.166 -14.471 -0.413 1.00 0.00 C ATOM 399 C ASP A 34 4.683 -13.701 0.798 1.00 0.00 C ATOM 400 O ASP A 34 5.368 -14.247 1.665 1.00 0.00 O ATOM 401 CB ASP A 34 4.270 -15.976 -0.160 1.00 0.00 C ATOM 402 CG ASP A 34 3.178 -16.758 -0.863 1.00 0.00 C ATOM 403 OD1 ASP A 34 1.989 -16.433 -0.661 1.00 0.00 O ATOM 404 OD2 ASP A 34 3.513 -17.695 -1.619 1.00 0.00 O ATOM 0 H ASP A 34 5.918 -14.062 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 34 3.120 -14.208 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.243 -16.332 -0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.216 -16.166 0.912 1.00 0.00 H new ATOM 409 N PRO A 35 4.352 -12.404 0.860 1.00 0.00 N ATOM 410 CA PRO A 35 4.774 -11.531 1.960 1.00 0.00 C ATOM 411 C PRO A 35 4.076 -11.873 3.273 1.00 0.00 C ATOM 412 O PRO A 35 3.237 -12.772 3.324 1.00 0.00 O ATOM 413 CB PRO A 35 4.363 -10.136 1.484 1.00 0.00 C ATOM 414 CG PRO A 35 3.241 -10.375 0.534 1.00 0.00 C ATOM 415 CD PRO A 35 3.540 -11.688 -0.137 1.00 0.00 C ATOM 0 HA PRO A 35 5.839 -11.628 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.048 -9.510 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.192 -9.624 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.286 -10.413 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.171 -9.570 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.627 -12.233 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.083 -11.547 -1.071 1.00 0.00 H new ATOM 423 N MET A 36 4.428 -11.151 4.331 1.00 0.00 N ATOM 424 CA MET A 36 3.833 -11.378 5.643 1.00 0.00 C ATOM 425 C MET A 36 3.014 -10.170 6.086 1.00 0.00 C ATOM 426 O MET A 36 2.966 -9.155 5.391 1.00 0.00 O ATOM 427 CB MET A 36 4.922 -11.677 6.675 1.00 0.00 C ATOM 428 CG MET A 36 5.394 -13.122 6.660 1.00 0.00 C ATOM 429 SD MET A 36 6.627 -13.436 5.383 1.00 0.00 S ATOM 430 CE MET A 36 8.075 -12.679 6.116 1.00 0.00 C ATOM 0 H MET A 36 5.122 -10.404 4.306 1.00 0.00 H new ATOM 0 HA MET A 36 3.167 -12.238 5.568 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.774 -11.023 6.491 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.545 -11.437 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.813 -13.373 7.634 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.538 -13.778 6.502 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.345 -11.787 5.550 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.858 -12.402 7.148 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.904 -13.386 6.097 1.00 0.00 H new ATOM 440 N GLU A 37 2.373 -10.287 7.243 1.00 0.00 N ATOM 441 CA GLU A 37 1.556 -9.203 7.776 1.00 0.00 C ATOM 442 C GLU A 37 2.389 -7.941 7.978 1.00 0.00 C ATOM 443 O GLU A 37 1.869 -6.827 7.933 1.00 0.00 O ATOM 444 CB GLU A 37 0.915 -9.621 9.101 1.00 0.00 C ATOM 445 CG GLU A 37 1.914 -10.128 10.127 1.00 0.00 C ATOM 446 CD GLU A 37 1.259 -10.508 11.441 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.022 -10.670 11.463 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.987 -10.646 12.447 1.00 0.00 O ATOM 0 H GLU A 37 2.403 -11.121 7.830 1.00 0.00 H new ATOM 0 HA GLU A 37 0.770 -8.987 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.378 -8.770 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.178 -10.400 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.437 -10.994 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.665 -9.359 10.309 1.00 0.00 H new ATOM 455 N GLU A 38 3.686 -8.126 8.201 1.00 0.00 N ATOM 456 CA GLU A 38 4.592 -7.002 8.410 1.00 0.00 C ATOM 457 C GLU A 38 4.629 -6.096 7.184 1.00 0.00 C ATOM 458 O GLU A 38 4.600 -4.871 7.302 1.00 0.00 O ATOM 459 CB GLU A 38 6.002 -7.507 8.728 1.00 0.00 C ATOM 460 CG GLU A 38 6.562 -8.449 7.676 1.00 0.00 C ATOM 461 CD GLU A 38 7.861 -9.100 8.108 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.327 -8.809 9.230 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.413 -9.901 7.325 1.00 0.00 O ATOM 0 H GLU A 38 4.133 -9.042 8.242 1.00 0.00 H new ATOM 0 HA GLU A 38 4.221 -6.423 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.670 -6.652 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.987 -8.018 9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.826 -9.224 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.727 -7.897 6.750 1.00 0.00 H new ATOM 470 N ASP A 39 4.694 -6.708 6.006 1.00 0.00 N ATOM 471 CA ASP A 39 4.734 -5.958 4.755 1.00 0.00 C ATOM 472 C ASP A 39 3.361 -5.385 4.421 1.00 0.00 C ATOM 473 O ASP A 39 3.251 -4.281 3.885 1.00 0.00 O ATOM 474 CB ASP A 39 5.219 -6.853 3.615 1.00 0.00 C ATOM 475 CG ASP A 39 6.729 -6.985 3.584 1.00 0.00 C ATOM 476 OD1 ASP A 39 7.336 -7.104 4.670 1.00 0.00 O ATOM 477 OD2 ASP A 39 7.304 -6.973 2.475 1.00 0.00 O ATOM 0 H ASP A 39 4.720 -7.721 5.891 1.00 0.00 H new ATOM 0 HA ASP A 39 5.432 -5.130 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.773 -7.842 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.873 -6.445 2.665 1.00 0.00 H new ATOM 482 N ILE A 40 2.316 -6.143 4.738 1.00 0.00 N ATOM 483 CA ILE A 40 0.950 -5.710 4.471 1.00 0.00 C ATOM 484 C ILE A 40 0.554 -4.549 5.377 1.00 0.00 C ATOM 485 O ILE A 40 -0.241 -3.690 4.993 1.00 0.00 O ATOM 486 CB ILE A 40 -0.053 -6.862 4.664 1.00 0.00 C ATOM 487 CG1 ILE A 40 0.277 -8.019 3.718 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.475 -6.372 4.433 1.00 0.00 C ATOM 489 CD1 ILE A 40 -0.093 -9.377 4.273 1.00 0.00 C ATOM 0 H ILE A 40 2.390 -7.059 5.180 1.00 0.00 H new ATOM 0 HA ILE A 40 0.920 -5.383 3.432 1.00 0.00 H new ATOM 0 HB ILE A 40 0.024 -7.222 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.246 -7.866 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.344 -8.004 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.172 -7.198 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.706 -5.578 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.567 -5.988 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.169 -10.149 3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.450 -9.551 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.165 -9.411 4.468 1.00 0.00 H new ATOM 501 N LEU A 41 1.115 -4.527 6.581 1.00 0.00 N ATOM 502 CA LEU A 41 0.823 -3.470 7.543 1.00 0.00 C ATOM 503 C LEU A 41 1.554 -2.183 7.176 1.00 0.00 C ATOM 504 O LEU A 41 1.085 -1.085 7.473 1.00 0.00 O ATOM 505 CB LEU A 41 1.217 -3.911 8.952 1.00 0.00 C ATOM 506 CG LEU A 41 0.264 -4.889 9.641 1.00 0.00 C ATOM 507 CD1 LEU A 41 0.838 -5.344 10.974 1.00 0.00 C ATOM 508 CD2 LEU A 41 -1.104 -4.252 9.837 1.00 0.00 C ATOM 0 H LEU A 41 1.775 -5.230 6.914 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.249 -3.276 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.205 -4.370 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.308 -3.023 9.577 1.00 0.00 H new ATOM 0 HG LEU A 41 0.147 -5.764 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.146 -6.039 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.794 -5.840 10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.985 -4.479 11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.769 -4.962 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.005 -3.360 10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.520 -3.977 8.868 1.00 0.00 H new ATOM 520 N GLN A 42 2.706 -2.327 6.528 1.00 0.00 N ATOM 521 CA GLN A 42 3.503 -1.176 6.121 1.00 0.00 C ATOM 522 C GLN A 42 2.743 -0.318 5.115 1.00 0.00 C ATOM 523 O GLN A 42 2.666 0.902 5.256 1.00 0.00 O ATOM 524 CB GLN A 42 4.831 -1.636 5.518 1.00 0.00 C ATOM 525 CG GLN A 42 5.902 -1.927 6.556 1.00 0.00 C ATOM 526 CD GLN A 42 6.155 -0.751 7.480 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.249 -0.913 8.697 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.264 0.441 6.905 1.00 0.00 N ATOM 0 H GLN A 42 3.108 -3.229 6.274 1.00 0.00 H new ATOM 0 HA GLN A 42 3.705 -0.573 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.659 -2.534 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.196 -0.868 4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.603 -2.792 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.830 -2.193 6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.179 0.528 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.432 1.269 7.476 1.00 0.00 H new ATOM 537 N VAL A 43 2.185 -0.964 4.096 1.00 0.00 N ATOM 538 CA VAL A 43 1.430 -0.260 3.065 1.00 0.00 C ATOM 539 C VAL A 43 0.173 0.378 3.644 1.00 0.00 C ATOM 540 O VAL A 43 -0.257 1.442 3.198 1.00 0.00 O ATOM 541 CB VAL A 43 1.032 -1.207 1.917 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.262 -1.657 1.143 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.264 -2.404 2.457 1.00 0.00 C ATOM 0 H VAL A 43 2.241 -1.974 3.962 1.00 0.00 H new ATOM 0 HA VAL A 43 2.081 0.521 2.672 1.00 0.00 H new ATOM 0 HB VAL A 43 0.381 -0.665 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.960 -2.325 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.766 -0.787 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.942 -2.182 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.009 -3.063 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.889 -2.948 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.639 -2.060 2.961 1.00 0.00 H new ATOM 553 N VAL A 44 -0.413 -0.279 4.639 1.00 0.00 N ATOM 554 CA VAL A 44 -1.621 0.224 5.281 1.00 0.00 C ATOM 555 C VAL A 44 -1.331 1.489 6.082 1.00 0.00 C ATOM 556 O VAL A 44 -2.157 2.402 6.140 1.00 0.00 O ATOM 557 CB VAL A 44 -2.242 -0.831 6.215 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.462 -0.263 6.926 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.605 -2.085 5.435 1.00 0.00 C ATOM 0 H VAL A 44 -0.070 -1.162 5.018 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.329 0.455 4.485 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.504 -1.102 6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.888 -1.023 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.167 0.604 7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.206 0.038 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.043 -2.820 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.325 -1.834 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.708 -2.502 4.978 1.00 0.00 H new ATOM 569 N ARG A 45 -0.155 1.537 6.698 1.00 0.00 N ATOM 570 CA ARG A 45 0.243 2.689 7.496 1.00 0.00 C ATOM 571 C ARG A 45 0.412 3.926 6.619 1.00 0.00 C ATOM 572 O ARG A 45 -0.044 5.014 6.969 1.00 0.00 O ATOM 573 CB ARG A 45 1.548 2.395 8.239 1.00 0.00 C ATOM 574 CG ARG A 45 1.346 1.676 9.563 1.00 0.00 C ATOM 575 CD ARG A 45 0.845 2.624 10.641 1.00 0.00 C ATOM 576 NE ARG A 45 0.303 1.906 11.791 1.00 0.00 N ATOM 577 CZ ARG A 45 1.057 1.308 12.707 1.00 0.00 C ATOM 578 NH1 ARG A 45 2.379 1.342 12.607 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.490 0.674 13.726 1.00 0.00 N ATOM 0 H ARG A 45 0.539 0.791 6.660 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.545 2.885 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.191 1.789 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.072 3.333 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.632 0.863 9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.286 1.226 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.663 3.267 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.076 3.274 10.224 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.710 1.861 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.819 1.828 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.956 0.882 13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.526 0.645 13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.071 0.216 14.428 1.00 0.00 H new ATOM 593 N TYR A 46 1.070 3.750 5.479 1.00 0.00 N ATOM 594 CA TYR A 46 1.303 4.853 4.553 1.00 0.00 C ATOM 595 C TYR A 46 -0.016 5.489 4.122 1.00 0.00 C ATOM 596 O TYR A 46 -0.112 6.709 3.983 1.00 0.00 O ATOM 597 CB TYR A 46 2.069 4.361 3.324 1.00 0.00 C ATOM 598 CG TYR A 46 2.124 5.370 2.200 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.880 6.531 2.319 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.420 5.166 1.020 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.932 7.456 1.295 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.468 6.085 -0.010 1.00 0.00 C ATOM 603 CZ TYR A 46 2.225 7.230 0.132 1.00 0.00 C ATOM 604 OH TYR A 46 2.274 8.149 -0.890 1.00 0.00 O ATOM 0 H TYR A 46 1.452 2.855 5.173 1.00 0.00 H new ATOM 0 HA TYR A 46 1.899 5.607 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.086 4.103 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.602 3.447 2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.436 6.712 3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.824 4.272 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.524 8.353 1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.916 5.908 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 46 3.209 8.337 -1.116 1.00 0.00 H new ATOM 614 N CYS A 47 -1.028 4.654 3.914 1.00 0.00 N ATOM 615 CA CYS A 47 -2.342 5.134 3.499 1.00 0.00 C ATOM 616 C CYS A 47 -3.066 5.807 4.660 1.00 0.00 C ATOM 617 O CYS A 47 -3.833 6.752 4.465 1.00 0.00 O ATOM 618 CB CYS A 47 -3.182 3.976 2.959 1.00 0.00 C ATOM 619 SG CYS A 47 -2.457 3.140 1.531 1.00 0.00 S ATOM 0 H CYS A 47 -0.964 3.642 4.026 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.201 5.870 2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.331 3.247 3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.167 4.353 2.684 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.498 2.357 1.927 1.00 0.00 H new ATOM 625 N THR A 48 -2.820 5.313 5.870 1.00 0.00 N ATOM 626 CA THR A 48 -3.451 5.865 7.063 1.00 0.00 C ATOM 627 C THR A 48 -2.782 7.167 7.487 1.00 0.00 C ATOM 628 O THR A 48 -3.394 8.002 8.153 1.00 0.00 O ATOM 629 CB THR A 48 -3.401 4.869 8.237 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.082 3.660 7.883 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.034 5.468 9.483 1.00 0.00 C ATOM 0 H THR A 48 -2.189 4.532 6.049 1.00 0.00 H new ATOM 0 HA THR A 48 -4.492 6.062 6.807 1.00 0.00 H new ATOM 0 HB THR A 48 -2.356 4.647 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.520 3.133 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.987 4.746 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.494 6.372 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.075 5.717 9.278 1.00 0.00 H new ATOM 639 N ASP A 49 -1.523 7.334 7.097 1.00 0.00 N ATOM 640 CA ASP A 49 -0.770 8.536 7.436 1.00 0.00 C ATOM 641 C ASP A 49 -1.177 9.702 6.539 1.00 0.00 C ATOM 642 O ASP A 49 -1.065 10.866 6.927 1.00 0.00 O ATOM 643 CB ASP A 49 0.731 8.277 7.307 1.00 0.00 C ATOM 644 CG ASP A 49 1.345 7.777 8.599 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.547 8.599 9.517 1.00 0.00 O ATOM 646 OD2 ASP A 49 1.625 6.563 8.693 1.00 0.00 O ATOM 0 H ASP A 49 -1.002 6.652 6.546 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.997 8.798 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.904 7.544 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.231 9.197 7.003 1.00 0.00 H new ATOM 651 N LEU A 50 -1.648 9.382 5.339 1.00 0.00 N ATOM 652 CA LEU A 50 -2.070 10.403 4.386 1.00 0.00 C ATOM 653 C LEU A 50 -3.344 11.095 4.859 1.00 0.00 C ATOM 654 O LEU A 50 -3.467 12.318 4.774 1.00 0.00 O ATOM 655 CB LEU A 50 -2.296 9.779 3.008 1.00 0.00 C ATOM 656 CG LEU A 50 -1.038 9.374 2.240 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.405 8.605 0.980 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.205 10.600 1.895 1.00 0.00 C ATOM 0 H LEU A 50 -1.747 8.424 5.003 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.278 11.149 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.923 8.896 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.857 10.487 2.398 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.441 8.722 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.496 8.325 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.958 7.706 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.024 9.232 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.686 10.292 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.794 11.278 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.090 11.110 2.812 1.00 0.00 H new ATOM 670 N ILE A 51 -4.289 10.307 5.359 1.00 0.00 N ATOM 671 CA ILE A 51 -5.552 10.845 5.848 1.00 0.00 C ATOM 672 C ILE A 51 -5.332 11.763 7.047 1.00 0.00 C ATOM 673 O ILE A 51 -6.147 12.640 7.326 1.00 0.00 O ATOM 674 CB ILE A 51 -6.525 9.720 6.250 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.820 8.819 5.049 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.813 10.308 6.806 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.992 7.362 5.415 1.00 0.00 C ATOM 0 H ILE A 51 -4.204 9.293 5.436 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.988 11.418 5.030 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.058 9.116 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.726 9.171 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.008 8.911 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.490 9.501 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.587 10.913 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.285 10.932 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.199 6.783 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.078 6.994 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.823 7.258 6.112 1.00 0.00 H new ATOM 689 N GLU A 52 -4.224 11.552 7.750 1.00 0.00 N ATOM 690 CA GLU A 52 -3.895 12.361 8.918 1.00 0.00 C ATOM 691 C GLU A 52 -3.449 13.760 8.503 1.00 0.00 C ATOM 692 O GLU A 52 -3.567 14.713 9.271 1.00 0.00 O ATOM 693 CB GLU A 52 -2.796 11.687 9.740 1.00 0.00 C ATOM 694 CG GLU A 52 -3.210 10.350 10.331 1.00 0.00 C ATOM 695 CD GLU A 52 -2.024 9.510 10.764 1.00 0.00 C ATOM 696 OE1 GLU A 52 -0.903 10.057 10.829 1.00 0.00 O ATOM 697 OE2 GLU A 52 -2.216 8.308 11.037 1.00 0.00 O ATOM 0 H GLU A 52 -3.539 10.828 7.531 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.793 12.451 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.920 11.540 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.497 12.355 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.861 10.522 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.793 9.797 9.595 1.00 0.00 H new ATOM 704 N GLU A 53 -2.937 13.874 7.281 1.00 0.00 N ATOM 705 CA GLU A 53 -2.472 15.155 6.764 1.00 0.00 C ATOM 706 C GLU A 53 -3.391 15.660 5.655 1.00 0.00 C ATOM 707 O GLU A 53 -3.053 16.597 4.930 1.00 0.00 O ATOM 708 CB GLU A 53 -1.041 15.030 6.239 1.00 0.00 C ATOM 709 CG GLU A 53 -0.828 13.828 5.333 1.00 0.00 C ATOM 710 CD GLU A 53 0.590 13.740 4.805 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.511 14.227 5.495 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.780 13.185 3.702 1.00 0.00 O ATOM 0 H GLU A 53 -2.834 13.094 6.631 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.489 15.875 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.783 15.937 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.357 14.963 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.064 12.917 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.521 13.883 4.494 1.00 0.00 H new ATOM 719 N LYS A 54 -4.555 15.031 5.526 1.00 0.00 N ATOM 720 CA LYS A 54 -5.524 15.415 4.507 1.00 0.00 C ATOM 721 C LYS A 54 -4.962 15.184 3.108 1.00 0.00 C ATOM 722 O LYS A 54 -5.491 15.700 2.123 1.00 0.00 O ATOM 723 CB LYS A 54 -5.916 16.885 4.674 1.00 0.00 C ATOM 724 CG LYS A 54 -6.200 17.279 6.113 1.00 0.00 C ATOM 725 CD LYS A 54 -7.455 18.129 6.221 1.00 0.00 C ATOM 726 CE LYS A 54 -7.191 19.569 5.808 1.00 0.00 C ATOM 727 NZ LYS A 54 -7.965 20.534 6.636 1.00 0.00 N ATOM 0 H LYS A 54 -4.850 14.252 6.115 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.410 14.793 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.114 17.513 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.800 17.088 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.314 16.382 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.350 17.831 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.237 17.706 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.824 18.105 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.126 19.784 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.453 19.700 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.758 21.504 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.982 20.346 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.697 20.427 7.635 1.00 0.00 H new ATOM 741 N ASP A 55 -3.889 14.404 3.028 1.00 0.00 N ATOM 742 CA ASP A 55 -3.258 14.101 1.749 1.00 0.00 C ATOM 743 C ASP A 55 -3.743 12.761 1.206 1.00 0.00 C ATOM 744 O ASP A 55 -3.009 12.057 0.513 1.00 0.00 O ATOM 745 CB ASP A 55 -1.736 14.084 1.899 1.00 0.00 C ATOM 746 CG ASP A 55 -1.191 15.399 2.420 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.982 16.352 2.570 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.030 15.475 2.677 1.00 0.00 O ATOM 0 H ASP A 55 -3.438 13.970 3.834 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.537 14.881 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.450 13.281 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.281 13.862 0.934 1.00 0.00 H new ATOM 753 N LEU A 56 -4.986 12.414 1.527 1.00 0.00 N ATOM 754 CA LEU A 56 -5.570 11.157 1.072 1.00 0.00 C ATOM 755 C LEU A 56 -6.013 11.257 -0.384 1.00 0.00 C ATOM 756 O LEU A 56 -6.472 10.279 -0.972 1.00 0.00 O ATOM 757 CB LEU A 56 -6.760 10.777 1.954 1.00 0.00 C ATOM 758 CG LEU A 56 -7.662 11.930 2.399 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.102 12.755 1.199 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.870 11.400 3.157 1.00 0.00 C ATOM 0 H LEU A 56 -5.607 12.985 2.100 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.807 10.382 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.370 10.053 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.381 10.274 2.844 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.093 12.575 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.743 13.571 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.225 13.165 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.654 12.122 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.500 12.234 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.441 10.733 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.535 10.853 4.038 1.00 0.00 H new ATOM 772 N GLU A 57 -5.872 12.448 -0.960 1.00 0.00 N ATOM 773 CA GLU A 57 -6.257 12.675 -2.347 1.00 0.00 C ATOM 774 C GLU A 57 -5.611 11.642 -3.267 1.00 0.00 C ATOM 775 O GLU A 57 -6.287 11.001 -4.071 1.00 0.00 O ATOM 776 CB GLU A 57 -5.857 14.085 -2.787 1.00 0.00 C ATOM 777 CG GLU A 57 -6.763 15.174 -2.236 1.00 0.00 C ATOM 778 CD GLU A 57 -8.029 15.348 -3.053 1.00 0.00 C ATOM 779 OE1 GLU A 57 -7.921 15.530 -4.283 1.00 0.00 O ATOM 780 OE2 GLU A 57 -9.128 15.302 -2.461 1.00 0.00 O ATOM 0 H GLU A 57 -5.494 13.269 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.340 12.573 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.833 14.280 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.866 14.133 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.029 14.934 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.218 16.118 -2.212 1.00 0.00 H new ATOM 787 N LYS A 58 -4.297 11.488 -3.143 1.00 0.00 N ATOM 788 CA LYS A 58 -3.557 10.534 -3.961 1.00 0.00 C ATOM 789 C LYS A 58 -3.877 9.101 -3.548 1.00 0.00 C ATOM 790 O LYS A 58 -3.928 8.199 -4.386 1.00 0.00 O ATOM 791 CB LYS A 58 -2.053 10.787 -3.843 1.00 0.00 C ATOM 792 CG LYS A 58 -1.526 11.801 -4.843 1.00 0.00 C ATOM 793 CD LYS A 58 -1.707 13.224 -4.343 1.00 0.00 C ATOM 794 CE LYS A 58 -0.504 13.688 -3.537 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.701 15.058 -2.984 1.00 0.00 N ATOM 0 H LYS A 58 -3.722 12.012 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.861 10.671 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.830 11.134 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.523 9.845 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.469 11.612 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.045 11.680 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.858 13.892 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.604 13.283 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.323 12.989 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.384 13.676 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.141 15.338 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.849 15.729 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.533 15.064 -2.360 1.00 0.00 H new ATOM 809 N LEU A 59 -4.091 8.897 -2.253 1.00 0.00 N ATOM 810 CA LEU A 59 -4.407 7.573 -1.728 1.00 0.00 C ATOM 811 C LEU A 59 -5.602 6.969 -2.458 1.00 0.00 C ATOM 812 O LEU A 59 -5.563 5.816 -2.886 1.00 0.00 O ATOM 813 CB LEU A 59 -4.698 7.653 -0.228 1.00 0.00 C ATOM 814 CG LEU A 59 -5.460 6.471 0.371 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.753 5.163 0.051 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.614 6.643 1.875 1.00 0.00 C ATOM 0 H LEU A 59 -4.051 9.632 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.542 6.929 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.750 7.754 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.268 8.562 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.454 6.441 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.310 4.333 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.696 5.035 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.746 5.182 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.159 5.792 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.629 6.700 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.165 7.560 2.082 1.00 0.00 H new ATOM 828 N ASP A 60 -6.663 7.758 -2.599 1.00 0.00 N ATOM 829 CA ASP A 60 -7.869 7.302 -3.281 1.00 0.00 C ATOM 830 C ASP A 60 -7.531 6.704 -4.642 1.00 0.00 C ATOM 831 O ASP A 60 -8.170 5.751 -5.090 1.00 0.00 O ATOM 832 CB ASP A 60 -8.854 8.461 -3.449 1.00 0.00 C ATOM 833 CG ASP A 60 -10.135 8.036 -4.139 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.073 7.659 -5.328 1.00 0.00 O ATOM 835 OD2 ASP A 60 -11.200 8.079 -3.489 1.00 0.00 O ATOM 0 H ASP A 60 -6.712 8.715 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.332 6.527 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.093 8.876 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.381 9.256 -4.025 1.00 0.00 H new ATOM 840 N LEU A 61 -6.522 7.268 -5.297 1.00 0.00 N ATOM 841 CA LEU A 61 -6.099 6.792 -6.609 1.00 0.00 C ATOM 842 C LEU A 61 -5.281 5.511 -6.486 1.00 0.00 C ATOM 843 O LEU A 61 -5.333 4.641 -7.355 1.00 0.00 O ATOM 844 CB LEU A 61 -5.279 7.867 -7.325 1.00 0.00 C ATOM 845 CG LEU A 61 -5.785 9.303 -7.182 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.763 10.286 -7.731 1.00 0.00 C ATOM 847 CD2 LEU A 61 -7.122 9.470 -7.887 1.00 0.00 C ATOM 0 H LEU A 61 -5.981 8.056 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.993 6.576 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.256 7.824 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.241 7.620 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.928 9.514 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.140 11.303 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.828 10.184 -7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.587 10.077 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.467 10.498 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.006 9.240 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.853 8.792 -7.446 1.00 0.00 H new ATOM 859 N VAL A 62 -4.526 5.400 -5.396 1.00 0.00 N ATOM 860 CA VAL A 62 -3.698 4.223 -5.156 1.00 0.00 C ATOM 861 C VAL A 62 -4.550 2.962 -5.063 1.00 0.00 C ATOM 862 O VAL A 62 -4.114 1.877 -5.449 1.00 0.00 O ATOM 863 CB VAL A 62 -2.877 4.371 -3.862 1.00 0.00 C ATOM 864 CG1 VAL A 62 -2.056 3.116 -3.604 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.980 5.598 -3.936 1.00 0.00 C ATOM 0 H VAL A 62 -4.471 6.110 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.017 4.136 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.567 4.504 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.482 3.239 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.723 2.259 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.374 2.949 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.407 5.686 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.296 5.498 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.593 6.489 -4.069 1.00 0.00 H new ATOM 875 N ILE A 63 -5.766 3.113 -4.550 1.00 0.00 N ATOM 876 CA ILE A 63 -6.680 1.986 -4.409 1.00 0.00 C ATOM 877 C ILE A 63 -6.950 1.325 -5.757 1.00 0.00 C ATOM 878 O ILE A 63 -7.093 0.105 -5.846 1.00 0.00 O ATOM 879 CB ILE A 63 -8.019 2.422 -3.787 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.779 3.147 -2.461 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.924 1.216 -3.581 1.00 0.00 C ATOM 882 CD1 ILE A 63 -7.108 2.284 -1.414 1.00 0.00 C ATOM 0 H ILE A 63 -6.141 4.004 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.197 1.269 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.514 3.111 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.163 4.028 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.734 3.501 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.867 1.540 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.117 0.738 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.437 0.505 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.969 2.862 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.733 1.416 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.138 1.951 -1.784 1.00 0.00 H new ATOM 894 N LYS A 64 -7.018 2.138 -6.806 1.00 0.00 N ATOM 895 CA LYS A 64 -7.267 1.634 -8.151 1.00 0.00 C ATOM 896 C LYS A 64 -6.039 0.914 -8.699 1.00 0.00 C ATOM 897 O LYS A 64 -6.155 0.009 -9.525 1.00 0.00 O ATOM 898 CB LYS A 64 -7.657 2.782 -9.084 1.00 0.00 C ATOM 899 CG LYS A 64 -8.705 3.712 -8.498 1.00 0.00 C ATOM 900 CD LYS A 64 -9.526 4.384 -9.587 1.00 0.00 C ATOM 901 CE LYS A 64 -8.657 5.249 -10.487 1.00 0.00 C ATOM 902 NZ LYS A 64 -8.198 4.507 -11.694 1.00 0.00 N ATOM 0 H LYS A 64 -6.904 3.150 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.090 0.921 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.766 3.360 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.033 2.367 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.365 3.148 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.218 4.472 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.029 3.625 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.304 4.997 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.218 6.131 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.791 5.601 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.007 5.180 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.328 3.983 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.937 3.839 -11.993 1.00 0.00 H new ATOM 916 N TYR A 65 -4.863 1.321 -8.232 1.00 0.00 N ATOM 917 CA TYR A 65 -3.613 0.716 -8.676 1.00 0.00 C ATOM 918 C TYR A 65 -3.337 -0.581 -7.921 1.00 0.00 C ATOM 919 O TYR A 65 -2.794 -1.534 -8.479 1.00 0.00 O ATOM 920 CB TYR A 65 -2.452 1.691 -8.479 1.00 0.00 C ATOM 921 CG TYR A 65 -1.344 1.527 -9.495 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.578 1.736 -10.848 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.064 1.159 -9.102 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.570 1.586 -11.780 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.953 1.008 -10.026 1.00 0.00 C ATOM 926 CZ TYR A 65 0.694 1.223 -11.364 1.00 0.00 C ATOM 927 OH TYR A 65 1.702 1.072 -12.288 1.00 0.00 O ATOM 0 H TYR A 65 -4.750 2.067 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.708 0.484 -9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.833 2.711 -8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.040 1.555 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.566 2.021 -11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.141 0.988 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.770 1.752 -12.828 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.943 0.724 -9.703 1.00 0.00 H new ATOM 0 HH TYR A 65 2.530 0.815 -11.830 1.00 0.00 H new ATOM 937 N MET A 66 -3.715 -0.608 -6.647 1.00 0.00 N ATOM 938 CA MET A 66 -3.511 -1.786 -5.814 1.00 0.00 C ATOM 939 C MET A 66 -4.503 -2.888 -6.176 1.00 0.00 C ATOM 940 O MET A 66 -4.199 -4.074 -6.058 1.00 0.00 O ATOM 941 CB MET A 66 -3.653 -1.423 -4.334 1.00 0.00 C ATOM 942 CG MET A 66 -2.515 -1.942 -3.469 1.00 0.00 C ATOM 943 SD MET A 66 -2.779 -1.627 -1.714 1.00 0.00 S ATOM 944 CE MET A 66 -3.130 0.128 -1.733 1.00 0.00 C ATOM 0 H MET A 66 -4.164 0.173 -6.169 1.00 0.00 H new ATOM 0 HA MET A 66 -2.502 -2.156 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.706 -0.339 -4.238 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.595 -1.823 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.402 -3.014 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.582 -1.473 -3.782 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.245 0.487 -0.710 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.308 0.658 -2.213 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.051 0.309 -2.287 1.00 0.00 H new ATOM 954 N LYS A 67 -5.690 -2.486 -6.618 1.00 0.00 N ATOM 955 CA LYS A 67 -6.727 -3.437 -6.999 1.00 0.00 C ATOM 956 C LYS A 67 -6.464 -4.000 -8.392 1.00 0.00 C ATOM 957 O LYS A 67 -6.743 -5.168 -8.663 1.00 0.00 O ATOM 958 CB LYS A 67 -8.102 -2.767 -6.960 1.00 0.00 C ATOM 959 CG LYS A 67 -8.318 -1.757 -8.074 1.00 0.00 C ATOM 960 CD LYS A 67 -9.687 -1.106 -7.978 1.00 0.00 C ATOM 961 CE LYS A 67 -10.777 -2.018 -8.520 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.936 -1.880 -9.994 1.00 0.00 N ATOM 0 H LYS A 67 -5.958 -1.507 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.710 -4.260 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.873 -3.535 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.227 -2.268 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.545 -0.990 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.216 -2.252 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.901 -0.859 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.685 -0.169 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.538 -3.053 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.722 -1.785 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.688 -2.518 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.189 -0.898 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.042 -2.127 -10.464 1.00 0.00 H new ATOM 976 N ARG A 68 -5.923 -3.163 -9.271 1.00 0.00 N ATOM 977 CA ARG A 68 -5.621 -3.578 -10.636 1.00 0.00 C ATOM 978 C ARG A 68 -4.311 -4.358 -10.690 1.00 0.00 C ATOM 979 O ARG A 68 -4.084 -5.149 -11.606 1.00 0.00 O ATOM 980 CB ARG A 68 -5.540 -2.360 -11.556 1.00 0.00 C ATOM 981 CG ARG A 68 -4.259 -1.558 -11.394 1.00 0.00 C ATOM 982 CD ARG A 68 -4.329 -0.237 -12.145 1.00 0.00 C ATOM 983 NE ARG A 68 -4.652 -0.427 -13.557 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.735 0.568 -14.432 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.518 1.817 -14.044 1.00 0.00 N ATOM 986 NH2 ARG A 68 -5.034 0.314 -15.700 1.00 0.00 N ATOM 0 H ARG A 68 -5.685 -2.193 -9.063 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.426 -4.229 -10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.623 -2.691 -12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.393 -1.710 -11.360 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.080 -1.367 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.414 -2.142 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.081 0.403 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.374 0.281 -12.058 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.823 -1.376 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.286 2.016 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.583 2.579 -14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.200 -0.646 -16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.098 1.079 -16.372 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.451 -4.130 -9.703 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.162 -4.810 -9.638 1.00 0.00 C ATOM 1002 C LEU A 69 -2.328 -6.243 -9.140 1.00 0.00 C ATOM 1003 O LEU A 69 -1.916 -7.193 -9.804 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.206 -4.046 -8.722 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.411 -2.915 -9.375 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.162 -1.986 -8.316 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.700 -3.479 -10.249 1.00 0.00 C ATOM 0 H LEU A 69 -3.623 -3.479 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.743 -4.841 -10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.782 -3.628 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.501 -4.757 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.087 -2.340 -10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.725 -1.187 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.651 -1.555 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.824 -2.549 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.255 -2.660 -10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.375 -4.078 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.267 -4.103 -11.030 1.00 0.00 H new ATOM 1019 N MET A 70 -2.935 -6.389 -7.967 1.00 0.00 N ATOM 1020 CA MET A 70 -3.157 -7.706 -7.380 1.00 0.00 C ATOM 1021 C MET A 70 -3.993 -8.579 -8.311 1.00 0.00 C ATOM 1022 O MET A 70 -3.913 -9.807 -8.261 1.00 0.00 O ATOM 1023 CB MET A 70 -3.853 -7.573 -6.024 1.00 0.00 C ATOM 1024 CG MET A 70 -2.890 -7.541 -4.849 1.00 0.00 C ATOM 1025 SD MET A 70 -3.164 -6.127 -3.764 1.00 0.00 S ATOM 1026 CE MET A 70 -1.567 -5.998 -2.965 1.00 0.00 C ATOM 0 H MET A 70 -3.282 -5.612 -7.404 1.00 0.00 H new ATOM 0 HA MET A 70 -2.187 -8.182 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.450 -6.661 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.543 -8.407 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.994 -8.461 -4.274 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.867 -7.514 -5.224 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.419 -4.978 -2.611 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.526 -6.685 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.782 -6.252 -3.677 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.794 -7.939 -9.156 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.645 -8.661 -10.095 1.00 0.00 C ATOM 1038 C GLN A 71 -4.808 -9.504 -11.051 1.00 0.00 C ATOM 1039 O GLN A 71 -5.155 -10.645 -11.353 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.512 -7.680 -10.887 1.00 0.00 C ATOM 1041 CG GLN A 71 -7.879 -7.439 -10.267 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.631 -6.305 -10.936 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.680 -6.215 -12.163 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.222 -5.431 -10.130 1.00 0.00 N ATOM 0 H GLN A 71 -4.872 -6.923 -9.210 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.291 -9.327 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.987 -6.728 -10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.644 -8.060 -11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.471 -8.352 -10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.759 -7.215 -9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.156 -5.544 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.742 -4.646 -10.522 1.00 0.00 H new ATOM 1053 N GLN A 72 -3.704 -8.934 -11.524 1.00 0.00 N ATOM 1054 CA GLN A 72 -2.819 -9.634 -12.446 1.00 0.00 C ATOM 1055 C GLN A 72 -2.379 -10.974 -11.867 1.00 0.00 C ATOM 1056 O GLN A 72 -2.064 -11.908 -12.607 1.00 0.00 O ATOM 1057 CB GLN A 72 -1.593 -8.774 -12.761 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.509 -8.848 -11.697 1.00 0.00 C ATOM 1059 CD GLN A 72 0.278 -7.558 -11.575 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.213 -6.483 -11.922 1.00 0.00 O ATOM 1061 NE2 GLN A 72 1.505 -7.657 -11.078 1.00 0.00 N ATOM 0 H GLN A 72 -3.402 -7.990 -11.284 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.370 -9.821 -13.368 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.174 -9.089 -13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.907 -7.737 -12.877 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.965 -9.083 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.173 -9.664 -11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.872 -8.568 -10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.081 -6.822 -10.971 1.00 0.00 H new ATOM 1070 N SER A 73 -2.360 -11.064 -10.541 1.00 0.00 N ATOM 1071 CA SER A 73 -1.955 -12.290 -9.863 1.00 0.00 C ATOM 1072 C SER A 73 -3.166 -13.167 -9.559 1.00 0.00 C ATOM 1073 O SER A 73 -4.292 -12.679 -9.459 1.00 0.00 O ATOM 1074 CB SER A 73 -1.212 -11.959 -8.567 1.00 0.00 C ATOM 1075 OG SER A 73 0.134 -11.603 -8.829 1.00 0.00 O ATOM 0 H SER A 73 -2.620 -10.302 -9.915 1.00 0.00 H new ATOM 0 HA SER A 73 -1.287 -12.840 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.715 -11.139 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.241 -12.819 -7.898 1.00 0.00 H new ATOM 0 HG SER A 73 0.587 -11.394 -7.986 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.925 -14.466 -9.414 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.994 -15.413 -9.119 1.00 0.00 C ATOM 1083 C VAL A 74 -3.909 -15.909 -7.681 1.00 0.00 C ATOM 1084 O VAL A 74 -4.871 -16.458 -7.145 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.948 -16.624 -10.071 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.807 -17.556 -9.696 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -5.278 -17.363 -10.056 1.00 0.00 C ATOM 0 H VAL A 74 -1.999 -14.887 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.935 -14.882 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.770 -16.262 -11.084 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.791 -18.405 -10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.861 -17.018 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.950 -17.914 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.228 -18.215 -10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.488 -17.714 -9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.072 -16.689 -10.378 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.749 -15.712 -7.060 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.539 -16.140 -5.682 1.00 0.00 C ATOM 1099 C GLU A 75 -3.655 -15.627 -4.777 1.00 0.00 C ATOM 1100 O GLU A 75 -3.874 -14.421 -4.665 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.184 -15.643 -5.172 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.029 -15.959 -6.107 1.00 0.00 C ATOM 1103 CD GLU A 75 1.314 -15.935 -5.403 1.00 0.00 C ATOM 1104 OE1 GLU A 75 1.340 -15.685 -4.180 1.00 0.00 O ATOM 1105 OE2 GLU A 75 2.340 -16.167 -6.076 1.00 0.00 O ATOM 0 H GLU A 75 -1.942 -15.259 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.550 -17.230 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.235 -14.564 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.985 -16.091 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.185 -16.942 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.020 -15.238 -6.924 1.00 0.00 H new ATOM 1112 N SER A 76 -4.358 -16.553 -4.131 1.00 0.00 N ATOM 1113 CA SER A 76 -5.454 -16.196 -3.238 1.00 0.00 C ATOM 1114 C SER A 76 -4.972 -15.263 -2.132 1.00 0.00 C ATOM 1115 O SER A 76 -5.757 -14.517 -1.547 1.00 0.00 O ATOM 1116 CB SER A 76 -6.073 -17.454 -2.627 1.00 0.00 C ATOM 1117 OG SER A 76 -6.051 -18.532 -3.547 1.00 0.00 O ATOM 0 H SER A 76 -4.188 -17.556 -4.210 1.00 0.00 H new ATOM 0 HA SER A 76 -6.212 -15.675 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.527 -17.730 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.101 -17.249 -2.327 1.00 0.00 H new ATOM 0 HG SER A 76 -6.451 -19.325 -3.132 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.674 -15.310 -1.850 1.00 0.00 N ATOM 1124 CA VAL A 77 -3.084 -14.470 -0.815 1.00 0.00 C ATOM 1125 C VAL A 77 -3.099 -13.002 -1.225 1.00 0.00 C ATOM 1126 O VAL A 77 -3.357 -12.120 -0.406 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.635 -14.891 -0.507 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.785 -14.843 -1.767 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -1.043 -14.007 0.580 1.00 0.00 C ATOM 0 H VAL A 77 -3.010 -15.922 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.690 -14.601 0.082 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.643 -15.918 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.235 -15.144 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.199 -15.523 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.781 -13.828 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.019 -14.319 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.047 -12.969 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.639 -14.099 1.488 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.820 -12.746 -2.498 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.801 -11.383 -3.017 1.00 0.00 C ATOM 1141 C TRP A 78 -4.218 -10.853 -3.205 1.00 0.00 C ATOM 1142 O TRP A 78 -4.524 -9.725 -2.823 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.044 -11.333 -4.346 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.557 -11.250 -4.179 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.365 -12.176 -4.577 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.179 -10.184 -3.569 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.631 -11.749 -4.250 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.543 -10.530 -3.632 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.181 -8.970 -2.977 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.544 -9.706 -3.124 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.813 -8.154 -2.473 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.162 -8.524 -2.551 1.00 0.00 C ATOM 0 H TRP A 78 -2.604 -13.464 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.290 -10.751 -2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.288 -12.221 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.387 -10.472 -4.919 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.134 -13.106 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.495 -12.258 -4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.218 -8.675 -2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.585 -9.990 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.546 -7.215 -2.011 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.916 -7.862 -2.151 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.079 -11.675 -3.797 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.464 -11.286 -4.036 1.00 0.00 C ATOM 1165 C ASN A 79 -7.176 -10.975 -2.722 1.00 0.00 C ATOM 1166 O ASN A 79 -7.870 -9.965 -2.606 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.207 -12.399 -4.780 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.742 -12.544 -6.215 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.168 -11.796 -7.095 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.864 -13.511 -6.459 1.00 0.00 N ATOM 0 H ASN A 79 -4.842 -12.613 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.462 -10.386 -4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.060 -13.343 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.277 -12.190 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.516 -13.657 -7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.538 -14.108 -5.699 1.00 0.00 H new ATOM 1177 N MET A 80 -6.997 -11.848 -1.738 1.00 0.00 N ATOM 1178 CA MET A 80 -7.620 -11.665 -0.431 1.00 0.00 C ATOM 1179 C MET A 80 -6.954 -10.527 0.335 1.00 0.00 C ATOM 1180 O MET A 80 -7.608 -9.803 1.082 1.00 0.00 O ATOM 1181 CB MET A 80 -7.540 -12.959 0.381 1.00 0.00 C ATOM 1182 CG MET A 80 -8.314 -14.113 -0.236 1.00 0.00 C ATOM 1183 SD MET A 80 -10.070 -14.069 0.170 1.00 0.00 S ATOM 1184 CE MET A 80 -10.170 -15.380 1.387 1.00 0.00 C ATOM 0 H MET A 80 -6.426 -12.689 -1.819 1.00 0.00 H new ATOM 0 HA MET A 80 -8.667 -11.408 -0.588 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.494 -13.248 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.921 -12.772 1.385 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.195 -14.087 -1.319 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.889 -15.056 0.109 1.00 0.00 H new ATOM 0 HE1 MET A 80 -11.198 -15.476 1.735 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.851 -16.320 0.937 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.522 -15.143 2.231 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.647 -10.378 0.144 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.893 -9.327 0.815 1.00 0.00 C ATOM 1196 C ALA A 81 -5.532 -7.961 0.591 1.00 0.00 C ATOM 1197 O ALA A 81 -5.767 -7.212 1.538 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.450 -9.322 0.332 1.00 0.00 C ATOM 0 H ALA A 81 -5.089 -10.972 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.907 -9.533 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.898 -8.532 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.990 -10.285 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.427 -9.145 -0.743 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.813 -7.645 -0.670 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.425 -6.368 -1.019 1.00 0.00 C ATOM 1206 C PHE A 82 -7.674 -6.116 -0.180 1.00 0.00 C ATOM 1207 O PHE A 82 -7.876 -5.018 0.338 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.781 -6.340 -2.507 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.586 -5.136 -2.908 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.152 -3.859 -2.589 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.776 -5.281 -3.603 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.891 -2.751 -2.955 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.518 -4.176 -3.972 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.075 -2.909 -3.649 1.00 0.00 C ATOM 0 H PHE A 82 -5.627 -8.255 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.704 -5.578 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.862 -6.364 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.342 -7.241 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.226 -3.729 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.127 -6.270 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.543 -1.761 -2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.444 -4.303 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.653 -2.043 -3.938 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.510 -7.142 -0.051 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.739 -7.033 0.725 1.00 0.00 C ATOM 1226 C ASP A 83 -9.454 -6.493 2.123 1.00 0.00 C ATOM 1227 O ASP A 83 -10.173 -5.628 2.625 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.428 -8.394 0.822 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.766 -8.317 1.532 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.577 -7.437 1.176 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.000 -9.135 2.446 1.00 0.00 O ATOM 0 H ASP A 83 -8.358 -8.058 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.401 -6.334 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.575 -8.796 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.778 -9.090 1.352 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.400 -7.008 2.747 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.020 -6.580 4.088 1.00 0.00 C ATOM 1238 C PHE A 84 -7.354 -5.208 4.052 1.00 0.00 C ATOM 1239 O PHE A 84 -7.724 -4.307 4.804 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.076 -7.602 4.725 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.640 -7.231 6.114 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.421 -7.561 7.210 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.449 -6.553 6.323 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -7.022 -7.221 8.489 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.046 -6.212 7.599 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.833 -6.546 8.684 1.00 0.00 C ATOM 0 H PHE A 84 -7.793 -7.723 2.345 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.926 -6.509 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.571 -8.573 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.194 -7.713 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.351 -8.089 7.063 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.830 -6.289 5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.640 -7.483 9.335 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.116 -5.684 7.749 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.519 -6.280 9.683 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.368 -5.059 3.174 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.650 -3.797 3.040 1.00 0.00 C ATOM 1258 C ILE A 85 -6.616 -2.630 2.860 1.00 0.00 C ATOM 1259 O ILE A 85 -6.590 -1.664 3.625 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.675 -3.829 1.847 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.654 -4.953 2.026 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.974 -2.486 1.702 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.954 -5.344 0.743 1.00 0.00 C ATOM 0 H ILE A 85 -6.048 -5.796 2.545 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.083 -3.657 3.960 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.242 -4.021 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.908 -4.642 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.157 -5.828 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.288 -2.523 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.715 -1.705 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.415 -2.267 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.244 -6.146 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.691 -5.686 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.422 -4.482 0.342 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.471 -2.728 1.848 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.449 -1.681 1.569 1.00 0.00 C ATOM 1277 C LEU A 86 -9.400 -1.496 2.748 1.00 0.00 C ATOM 1278 O LEU A 86 -9.771 -0.373 3.090 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.243 -2.022 0.307 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.231 -3.182 0.428 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.586 -2.682 0.906 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.366 -3.908 -0.902 1.00 0.00 C ATOM 0 H LEU A 86 -7.507 -3.521 1.207 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.910 -0.747 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.793 -1.134 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.537 -2.254 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.847 -3.886 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.276 -3.522 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.476 -2.209 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.978 -1.957 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.073 -4.731 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.727 -3.214 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.395 -4.301 -1.202 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.788 -2.605 3.368 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.693 -2.566 4.511 1.00 0.00 C ATOM 1296 C ASP A 87 -10.127 -1.687 5.622 1.00 0.00 C ATOM 1297 O ASP A 87 -10.873 -1.078 6.386 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.944 -3.979 5.039 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.520 -3.980 6.441 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.457 -3.194 6.697 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.034 -4.765 7.282 1.00 0.00 O ATOM 0 H ASP A 87 -9.490 -3.542 3.098 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.639 -2.138 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.628 -4.498 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.008 -4.537 5.034 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.801 -1.629 5.706 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.134 -0.827 6.725 1.00 0.00 C ATOM 1308 C ASN A 88 -8.217 0.659 6.387 1.00 0.00 C ATOM 1309 O ASN A 88 -8.735 1.457 7.170 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.670 -1.250 6.860 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.481 -2.365 7.870 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.675 -2.251 8.793 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.227 -3.450 7.700 1.00 0.00 N ATOM 0 H ASN A 88 -8.168 -2.128 5.081 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.642 -0.995 7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.298 -1.576 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.072 -0.389 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.145 -4.232 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.883 -3.501 6.920 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.703 1.024 5.217 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.719 2.413 4.775 1.00 0.00 C ATOM 1322 C VAL A 89 -9.146 2.941 4.675 1.00 0.00 C ATOM 1323 O VAL A 89 -9.392 4.131 4.869 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.027 2.575 3.408 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.628 1.979 3.445 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.861 1.934 2.309 1.00 0.00 C ATOM 0 H VAL A 89 -7.270 0.377 4.558 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.172 2.989 5.521 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.937 3.639 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.154 2.102 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.035 2.489 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.691 0.918 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.357 2.058 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.985 0.872 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.840 2.412 2.269 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.082 2.047 4.371 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.485 2.425 4.245 1.00 0.00 C ATOM 1338 C GLN A 90 -12.122 2.613 5.617 1.00 0.00 C ATOM 1339 O GLN A 90 -13.054 3.403 5.777 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.251 1.362 3.456 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.976 1.398 1.961 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.049 2.800 1.388 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -11.199 3.203 0.594 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -13.067 3.553 1.790 1.00 0.00 N ATOM 0 H GLN A 90 -9.895 1.058 4.208 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.534 3.372 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.989 0.377 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.320 1.497 3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.988 0.981 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.697 0.762 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.749 3.179 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.167 4.505 1.439 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.615 1.884 6.607 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.135 1.972 7.965 1.00 0.00 C ATOM 1355 C VAL A 91 -11.589 3.201 8.684 1.00 0.00 C ATOM 1356 O VAL A 91 -12.339 3.958 9.301 1.00 0.00 O ATOM 1357 CB VAL A 91 -11.784 0.715 8.784 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -11.816 1.021 10.274 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.733 -0.423 8.443 1.00 0.00 C ATOM 0 H VAL A 91 -10.844 1.226 6.493 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.219 2.053 7.884 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.772 0.404 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.566 0.121 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.092 1.803 10.500 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.814 1.358 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.471 -1.303 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.756 -0.125 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.653 -0.658 7.382 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.277 3.395 8.599 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.630 4.534 9.240 1.00 0.00 C ATOM 1371 C VAL A 92 -10.291 5.845 8.829 1.00 0.00 C ATOM 1372 O VAL A 92 -10.547 6.713 9.665 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.131 4.596 8.891 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -7.931 4.569 7.384 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.494 5.837 9.500 1.00 0.00 C ATOM 0 H VAL A 92 -9.641 2.779 8.093 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.740 4.397 10.316 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.641 3.719 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.866 4.614 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.350 3.648 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.434 5.426 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.435 5.865 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.986 6.728 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.604 5.808 10.584 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.565 5.983 7.537 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.198 7.188 7.013 1.00 0.00 C ATOM 1387 C LEU A 93 -12.680 7.226 7.374 1.00 0.00 C ATOM 1388 O LEU A 93 -13.275 8.298 7.476 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.029 7.258 5.494 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.145 6.623 4.665 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.244 7.637 4.384 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.590 6.062 3.363 1.00 0.00 C ATOM 0 H LEU A 93 -10.359 5.275 6.832 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.710 8.051 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.941 8.306 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.088 6.775 5.231 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.574 5.801 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.030 7.167 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.662 7.992 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.829 8.480 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.399 5.614 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.134 6.866 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.839 5.304 3.584 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.267 6.049 7.565 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.678 5.948 7.916 1.00 0.00 C ATOM 1406 C GLN A 94 -14.932 6.494 9.317 1.00 0.00 C ATOM 1407 O GLN A 94 -16.044 6.912 9.637 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.144 4.494 7.831 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.507 4.253 8.461 1.00 0.00 C ATOM 1410 CD GLN A 94 -16.969 2.817 8.322 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.115 2.554 7.956 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.077 1.876 8.612 1.00 0.00 N ATOM 0 H GLN A 94 -12.787 5.153 7.483 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.246 6.547 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.179 4.193 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.409 3.856 8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.466 4.517 9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.240 4.913 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.138 2.138 8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.331 0.891 8.535 1.00 0.00 H new ATOM 1421 N GLN A 95 -13.893 6.488 10.146 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.005 6.982 11.513 1.00 0.00 C ATOM 1423 C GLN A 95 -13.934 8.505 11.549 1.00 0.00 C ATOM 1424 O GLN A 95 -14.590 9.150 12.368 1.00 0.00 O ATOM 1425 CB GLN A 95 -12.897 6.388 12.384 1.00 0.00 C ATOM 1426 CG GLN A 95 -12.822 4.871 12.324 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.282 4.261 13.601 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.044 3.881 14.492 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -10.962 4.164 13.700 1.00 0.00 N ATOM 0 H GLN A 95 -12.965 6.147 9.895 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.973 6.672 11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.939 6.803 12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.055 6.695 13.418 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.816 4.470 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.187 4.576 11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.368 4.491 12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.542 3.762 14.538 1.00 0.00 H new ATOM 1438 N THR A 96 -13.134 9.077 10.654 1.00 0.00 N ATOM 1439 CA THR A 96 -12.977 10.524 10.584 1.00 0.00 C ATOM 1440 C THR A 96 -14.050 11.152 9.702 1.00 0.00 C ATOM 1441 O THR A 96 -14.482 12.280 9.941 1.00 0.00 O ATOM 1442 CB THR A 96 -11.589 10.913 10.039 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.351 12.307 10.256 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.484 10.601 8.554 1.00 0.00 C ATOM 0 H THR A 96 -12.585 8.560 9.968 1.00 0.00 H new ATOM 0 HA THR A 96 -13.079 10.902 11.601 1.00 0.00 H new ATOM 0 HB THR A 96 -10.838 10.329 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.466 12.546 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.496 10.884 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.637 9.534 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.244 11.161 8.010 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.477 10.415 8.683 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.500 10.901 7.764 1.00 0.00 C ATOM 1454 C TYR A 97 -16.878 10.384 8.160 1.00 0.00 C ATOM 1455 O TYR A 97 -17.820 11.157 8.329 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.174 10.473 6.333 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.086 11.300 5.685 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.351 12.575 5.201 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.793 10.807 5.558 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.360 13.334 4.608 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.796 11.560 4.968 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.085 12.822 4.494 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.096 13.576 3.906 1.00 0.00 O ATOM 0 H TYR A 97 -14.131 9.479 8.472 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.512 11.990 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.869 9.426 6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.078 10.540 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.348 12.980 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.563 9.818 5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.583 14.323 4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.796 11.162 4.879 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.088 13.409 2.940 1.00 0.00 H new ATOM 1473 N GLY A 98 -16.989 9.067 8.308 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.256 8.467 8.684 1.00 0.00 C ATOM 1475 C GLY A 98 -18.779 7.508 7.633 1.00 0.00 C ATOM 1476 O GLY A 98 -19.649 6.684 7.912 1.00 0.00 O ATOM 0 H GLY A 98 -16.224 8.405 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.137 7.936 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.991 9.254 8.851 1.00 0.00 H new ATOM 1480 N SER A 99 -18.247 7.616 6.420 1.00 0.00 N ATOM 1481 CA SER A 99 -18.668 6.755 5.320 1.00 0.00 C ATOM 1482 C SER A 99 -17.476 6.012 4.725 1.00 0.00 C ATOM 1483 O SER A 99 -16.377 6.029 5.280 1.00 0.00 O ATOM 1484 CB SER A 99 -19.362 7.580 4.236 1.00 0.00 C ATOM 1485 OG SER A 99 -20.103 8.648 4.802 1.00 0.00 O ATOM 0 H SER A 99 -17.523 8.291 6.174 1.00 0.00 H new ATOM 0 HA SER A 99 -19.371 6.021 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.618 7.976 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.027 6.939 3.657 1.00 0.00 H new ATOM 0 HG SER A 99 -20.535 9.161 4.088 1.00 0.00 H new ATOM 1491 N THR A 100 -17.703 5.356 3.591 1.00 0.00 N ATOM 1492 CA THR A 100 -16.650 4.604 2.919 1.00 0.00 C ATOM 1493 C THR A 100 -16.692 4.826 1.412 1.00 0.00 C ATOM 1494 O THR A 100 -17.616 5.454 0.891 1.00 0.00 O ATOM 1495 CB THR A 100 -16.765 3.096 3.208 1.00 0.00 C ATOM 1496 OG1 THR A 100 -18.031 2.605 2.753 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.612 2.816 4.695 1.00 0.00 C ATOM 0 H THR A 100 -18.607 5.330 3.119 1.00 0.00 H new ATOM 0 HA THR A 100 -15.701 4.970 3.311 1.00 0.00 H new ATOM 0 HB THR A 100 -15.964 2.585 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.096 1.645 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.697 1.744 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.636 3.164 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.394 3.339 5.246 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.688 4.308 0.714 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.610 4.450 -0.736 1.00 0.00 C ATOM 1507 C LEU A 101 -16.124 3.194 -1.433 1.00 0.00 C ATOM 1508 O LEU A 101 -16.141 2.110 -0.852 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.168 4.730 -1.165 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.557 6.034 -0.652 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -12.064 6.073 -0.939 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.254 7.232 -1.281 1.00 0.00 C ATOM 0 H LEU A 101 -14.916 3.786 1.128 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.239 5.291 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.543 3.902 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.129 4.738 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.700 6.080 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.646 7.008 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.576 5.235 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.898 6.004 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.807 8.152 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.142 7.191 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.313 7.212 -1.025 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.544 3.349 -2.684 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.057 2.229 -3.465 1.00 0.00 C ATOM 1526 C LYS A 102 -15.935 1.550 -4.244 1.00 0.00 C ATOM 1527 O LYS A 102 -15.107 2.215 -4.867 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.145 2.708 -4.429 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.853 1.577 -5.157 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.463 0.583 -4.184 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.214 -0.520 -4.912 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.454 -0.013 -5.561 1.00 0.00 N ATOM 0 H LYS A 102 -16.539 4.241 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.487 1.503 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.881 3.289 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.699 3.379 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.634 1.988 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.146 1.063 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.677 0.145 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.143 1.103 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.565 -0.964 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.471 -1.311 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.022 -0.816 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.007 0.536 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.201 0.596 -6.365 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.914 0.221 -4.206 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.896 -0.548 -4.910 1.00 0.00 C ATOM 1548 C VAL A 103 -15.496 -1.299 -6.094 1.00 0.00 C ATOM 1549 O VAL A 103 -15.792 -2.492 -6.001 1.00 0.00 O ATOM 1550 CB VAL A 103 -14.206 -1.557 -3.973 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -15.239 -2.401 -3.242 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -13.241 -2.436 -4.755 1.00 0.00 C ATOM 0 H VAL A 103 -16.591 -0.345 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.155 0.165 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.634 -1.003 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.732 -3.108 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.885 -1.753 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.841 -2.948 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.762 -3.143 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.788 -2.983 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.481 -1.813 -5.225 1.00 0.00 H new ATOM 1562 N THR A 104 -15.673 -0.595 -7.207 1.00 0.00 N ATOM 1563 CA THR A 104 -16.237 -1.194 -8.409 1.00 0.00 C ATOM 1564 C THR A 104 -15.160 -1.881 -9.239 1.00 0.00 C ATOM 1565 O THR A 104 -15.195 -3.096 -9.441 1.00 0.00 O ATOM 1566 CB THR A 104 -16.949 -0.142 -9.281 1.00 0.00 C ATOM 1567 OG1 THR A 104 -16.161 1.052 -9.348 1.00 0.00 O ATOM 1568 CG2 THR A 104 -18.326 0.183 -8.721 1.00 0.00 C ATOM 0 H THR A 104 -15.433 0.392 -7.301 1.00 0.00 H new ATOM 0 HA THR A 104 -16.965 -1.935 -8.080 1.00 0.00 H new ATOM 0 HB THR A 104 -17.070 -0.554 -10.283 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.619 1.715 -9.905 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.809 0.928 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 104 -18.933 -0.722 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 104 -18.224 0.577 -7.710 1.00 0.00 H new TER 1576 THR A 104