USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 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 88 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot -109:sc= -2.64! USER MOD Set 2.1: A 62 ASN : amide:sc= -14.7! C(o=-21!,f=-10!) USER MOD Set 2.2: A 86 THR OG1 : rot -91:sc= -6.07! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.17) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 64:sc= -1.62! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.03 X(o=-2,f=-1.9) USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.586 USER MOD Single : A 40 SER OG : rot 38:sc= 0.139 USER MOD Single : A 42 MET CE :methyl -175:sc= -3.4! (180deg=-3.46!) USER MOD Single : A 43 GLN : amide:sc= -0.0739 K(o=-0.074,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -6.66! C(o=-6.7!,f=-6.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 69 TYR OH : rot 0:sc= -2.04! USER MOD Single : A 79 ASN : amide:sc= -7.46! C(o=-7.5!,f=-16!) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.705 (180deg=-1.22!) USER MOD Single : A 95 THR OG1 : rot 122:sc= -2.28 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -160:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -6.21! C(o=-6.2!,f=-8.1!) USER MOD Single : A 104 THR OG1 : rot -6:sc= -1.98! USER MOD Single : A 105 LYS NZ :NH3+ -114:sc= -0.957! (180deg=-2.76!) USER MOD Single : A 110 SER OG : rot 100:sc= 0.0043 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.063 17.846 10.737 1.00 0.00 N ATOM 2 CA GLY A 1 11.846 19.039 11.168 1.00 0.00 C ATOM 3 C GLY A 1 13.261 18.947 10.596 1.00 0.00 C ATOM 4 O GLY A 1 13.597 19.611 9.636 1.00 0.00 O ATOM 0 H1 GLY A 1 10.100 17.905 11.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.018 17.817 9.698 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.525 16.983 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.360 19.952 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.884 19.090 12.256 1.00 0.00 H new ATOM 10 N SER A 2 14.089 18.123 11.174 1.00 0.00 N ATOM 11 CA SER A 2 15.480 17.980 10.659 1.00 0.00 C ATOM 12 C SER A 2 15.627 16.637 9.943 1.00 0.00 C ATOM 13 O SER A 2 16.193 15.699 10.470 1.00 0.00 O ATOM 14 CB SER A 2 16.372 18.031 11.898 1.00 0.00 C ATOM 15 OG SER A 2 15.826 18.955 12.830 1.00 0.00 O ATOM 0 H SER A 2 13.863 17.542 11.981 1.00 0.00 H new ATOM 0 HA SER A 2 15.743 18.759 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.445 17.041 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.383 18.330 11.621 1.00 0.00 H new ATOM 0 HG SER A 2 16.394 18.990 13.628 1.00 0.00 H new ATOM 21 N HIS A 3 15.111 16.533 8.749 1.00 0.00 N ATOM 22 CA HIS A 3 15.210 15.245 8.004 1.00 0.00 C ATOM 23 C HIS A 3 14.968 15.474 6.509 1.00 0.00 C ATOM 24 O HIS A 3 14.706 16.578 6.074 1.00 0.00 O ATOM 25 CB HIS A 3 14.104 14.374 8.600 1.00 0.00 C ATOM 26 CG HIS A 3 14.661 13.027 8.963 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.873 11.888 8.988 1.00 0.00 N ATOM 28 CD2 HIS A 3 15.922 12.618 9.321 1.00 0.00 C ATOM 29 CE1 HIS A 3 14.659 10.858 9.348 1.00 0.00 C ATOM 30 NE2 HIS A 3 15.919 11.248 9.563 1.00 0.00 N ATOM 0 H HIS A 3 14.625 17.283 8.257 1.00 0.00 H new ATOM 0 HA HIS A 3 16.194 14.785 8.094 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.685 14.855 9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.291 14.261 7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.785 13.262 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.314 9.840 9.451 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.708 10.666 9.844 1.00 0.00 H new ATOM 38 N MET A 4 15.054 14.435 5.721 1.00 0.00 N ATOM 39 CA MET A 4 14.830 14.585 4.253 1.00 0.00 C ATOM 40 C MET A 4 13.380 14.244 3.900 1.00 0.00 C ATOM 41 O MET A 4 13.093 13.732 2.836 1.00 0.00 O ATOM 42 CB MET A 4 15.787 13.583 3.605 1.00 0.00 C ATOM 43 CG MET A 4 16.101 14.026 2.175 1.00 0.00 C ATOM 44 SD MET A 4 15.245 12.944 1.004 1.00 0.00 S ATOM 45 CE MET A 4 15.438 13.994 -0.457 1.00 0.00 C ATOM 0 H MET A 4 15.270 13.488 6.031 1.00 0.00 H new ATOM 0 HA MET A 4 15.009 15.604 3.910 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.707 13.515 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.340 12.589 3.599 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.788 15.060 2.027 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.176 13.990 2.000 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.973 13.511 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.959 14.957 -0.279 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.498 14.148 -0.657 1.00 0.00 H new ATOM 55 N THR A 5 12.462 14.525 4.785 1.00 0.00 N ATOM 56 CA THR A 5 11.033 14.222 4.502 1.00 0.00 C ATOM 57 C THR A 5 10.171 15.446 4.801 1.00 0.00 C ATOM 58 O THR A 5 10.545 16.308 5.571 1.00 0.00 O ATOM 59 CB THR A 5 10.672 13.071 5.441 1.00 0.00 C ATOM 60 OG1 THR A 5 11.273 13.293 6.708 1.00 0.00 O ATOM 61 CG2 THR A 5 11.180 11.754 4.857 1.00 0.00 C ATOM 0 H THR A 5 12.642 14.952 5.693 1.00 0.00 H new ATOM 0 HA THR A 5 10.866 13.958 3.458 1.00 0.00 H new ATOM 0 HB THR A 5 9.589 13.020 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.042 12.557 7.313 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.922 10.935 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.719 11.585 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.263 11.801 4.742 1.00 0.00 H new ATOM 69 N GLU A 6 9.021 15.528 4.201 1.00 0.00 N ATOM 70 CA GLU A 6 8.137 16.698 4.454 1.00 0.00 C ATOM 71 C GLU A 6 6.682 16.245 4.628 1.00 0.00 C ATOM 72 O GLU A 6 5.904 16.882 5.310 1.00 0.00 O ATOM 73 CB GLU A 6 8.310 17.579 3.220 1.00 0.00 C ATOM 74 CG GLU A 6 7.897 16.803 1.968 1.00 0.00 C ATOM 75 CD GLU A 6 9.150 16.334 1.225 1.00 0.00 C ATOM 76 OE1 GLU A 6 10.098 15.945 1.887 1.00 0.00 O ATOM 77 OE2 GLU A 6 9.138 16.372 0.006 1.00 0.00 O ATOM 0 H GLU A 6 8.653 14.837 3.547 1.00 0.00 H new ATOM 0 HA GLU A 6 8.392 17.232 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.704 18.480 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.348 17.901 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.282 15.946 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.291 17.435 1.319 1.00 0.00 H new ATOM 84 N ARG A 7 6.312 15.139 4.036 1.00 0.00 N ATOM 85 CA ARG A 7 4.917 14.639 4.191 1.00 0.00 C ATOM 86 C ARG A 7 4.953 13.183 4.661 1.00 0.00 C ATOM 87 O ARG A 7 5.020 12.262 3.871 1.00 0.00 O ATOM 88 CB ARG A 7 4.286 14.753 2.804 1.00 0.00 C ATOM 89 CG ARG A 7 3.315 15.936 2.785 1.00 0.00 C ATOM 90 CD ARG A 7 2.114 15.627 3.684 1.00 0.00 C ATOM 91 NE ARG A 7 1.539 16.958 4.029 1.00 0.00 N ATOM 92 CZ ARG A 7 0.376 17.034 4.618 1.00 0.00 C ATOM 93 NH1 ARG A 7 0.272 16.789 5.896 1.00 0.00 N ATOM 94 NH2 ARG A 7 -0.685 17.357 3.930 1.00 0.00 N ATOM 0 H ARG A 7 6.917 14.562 3.452 1.00 0.00 H new ATOM 0 HA ARG A 7 4.346 15.204 4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.061 14.892 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.760 13.832 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.819 16.839 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.980 16.128 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.384 15.004 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.420 15.085 4.579 1.00 0.00 H new ATOM 0 HE ARG A 7 2.054 17.810 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.100 16.538 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.637 16.849 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.606 17.550 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.593 17.416 4.391 1.00 0.00 H new ATOM 108 N ARG A 8 4.923 12.976 5.949 1.00 0.00 N ATOM 109 CA ARG A 8 4.969 11.589 6.497 1.00 0.00 C ATOM 110 C ARG A 8 4.070 10.644 5.691 1.00 0.00 C ATOM 111 O ARG A 8 4.269 9.445 5.682 1.00 0.00 O ATOM 112 CB ARG A 8 4.456 11.722 7.933 1.00 0.00 C ATOM 113 CG ARG A 8 5.276 12.781 8.677 1.00 0.00 C ATOM 114 CD ARG A 8 4.362 13.933 9.109 1.00 0.00 C ATOM 115 NE ARG A 8 4.042 13.658 10.538 1.00 0.00 N ATOM 116 CZ ARG A 8 3.495 14.585 11.276 1.00 0.00 C ATOM 117 NH1 ARG A 8 2.956 15.633 10.712 1.00 0.00 N ATOM 118 NH2 ARG A 8 3.486 14.465 12.575 1.00 0.00 N ATOM 0 H ARG A 8 4.868 13.714 6.651 1.00 0.00 H new ATOM 0 HA ARG A 8 5.973 11.167 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.402 12.001 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.530 10.763 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.755 12.337 9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.072 13.157 8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.860 14.896 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.457 13.968 8.502 1.00 0.00 H new ATOM 0 HE ARG A 8 4.251 12.744 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.963 15.726 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.528 16.358 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.907 13.646 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.058 15.190 13.151 1.00 0.00 H new ATOM 132 N LEU A 9 3.077 11.165 5.025 1.00 0.00 N ATOM 133 CA LEU A 9 2.165 10.287 4.238 1.00 0.00 C ATOM 134 C LEU A 9 2.920 9.541 3.128 1.00 0.00 C ATOM 135 O LEU A 9 3.529 10.139 2.256 1.00 0.00 O ATOM 136 CB LEU A 9 1.132 11.238 3.633 1.00 0.00 C ATOM 137 CG LEU A 9 -0.228 10.993 4.289 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.701 9.574 3.968 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.096 11.152 5.806 1.00 0.00 C ATOM 0 H LEU A 9 2.857 12.160 4.991 1.00 0.00 H new ATOM 0 HA LEU A 9 1.712 9.518 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.441 12.272 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.063 11.081 2.557 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.951 11.713 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.670 9.399 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.792 9.456 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.022 8.854 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.064 10.978 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.627 10.430 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.243 12.162 6.038 1.00 0.00 H new ATOM 151 N ARG A 10 2.871 8.233 3.144 1.00 0.00 N ATOM 152 CA ARG A 10 3.561 7.447 2.082 1.00 0.00 C ATOM 153 C ARG A 10 2.911 6.072 1.929 1.00 0.00 C ATOM 154 O ARG A 10 2.104 5.662 2.737 1.00 0.00 O ATOM 155 CB ARG A 10 5.005 7.301 2.545 1.00 0.00 C ATOM 156 CG ARG A 10 5.816 6.605 1.448 1.00 0.00 C ATOM 157 CD ARG A 10 5.799 7.468 0.180 1.00 0.00 C ATOM 158 NE ARG A 10 5.440 6.544 -0.926 1.00 0.00 N ATOM 159 CZ ARG A 10 5.119 7.026 -2.095 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.356 8.280 -2.368 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.549 6.261 -2.981 1.00 0.00 N ATOM 0 H ARG A 10 2.383 7.678 3.847 1.00 0.00 H new ATOM 0 HA ARG A 10 3.498 7.942 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.431 8.280 2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.047 6.723 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.842 6.449 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.396 5.621 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.074 8.277 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.771 7.929 0.006 1.00 0.00 H new ATOM 0 HE ARG A 10 5.444 5.536 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.791 8.881 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.106 8.659 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.353 5.284 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.298 6.638 -3.895 1.00 0.00 H new ATOM 175 N VAL A 11 3.244 5.363 0.885 1.00 0.00 N ATOM 176 CA VAL A 11 2.628 4.024 0.672 1.00 0.00 C ATOM 177 C VAL A 11 3.677 2.999 0.195 1.00 0.00 C ATOM 178 O VAL A 11 4.268 3.126 -0.866 1.00 0.00 O ATOM 179 CB VAL A 11 1.525 4.251 -0.393 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.075 5.719 -0.382 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.044 3.911 -1.796 1.00 0.00 C ATOM 0 H VAL A 11 3.914 5.653 0.173 1.00 0.00 H new ATOM 0 HA VAL A 11 2.215 3.613 1.593 1.00 0.00 H new ATOM 0 HB VAL A 11 0.686 3.599 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.300 5.868 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.679 5.971 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.926 6.362 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.253 4.078 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.897 4.547 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.352 2.866 -1.827 1.00 0.00 H new ATOM 191 N LEU A 12 3.902 1.972 0.964 1.00 0.00 N ATOM 192 CA LEU A 12 4.880 0.938 0.537 1.00 0.00 C ATOM 193 C LEU A 12 4.094 -0.192 -0.137 1.00 0.00 C ATOM 194 O LEU A 12 3.494 -1.016 0.521 1.00 0.00 O ATOM 195 CB LEU A 12 5.542 0.445 1.827 1.00 0.00 C ATOM 196 CG LEU A 12 6.551 1.477 2.364 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.885 1.329 1.635 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.025 2.901 2.164 1.00 0.00 C ATOM 0 H LEU A 12 3.453 1.805 1.865 1.00 0.00 H new ATOM 0 HA LEU A 12 5.630 1.307 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.778 0.253 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.050 -0.501 1.640 1.00 0.00 H new ATOM 0 HG LEU A 12 6.691 1.295 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.593 2.062 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.278 0.325 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.737 1.494 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.752 3.615 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.865 3.084 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.082 3.019 2.698 1.00 0.00 H new ATOM 210 N VAL A 13 4.066 -0.232 -1.441 1.00 0.00 N ATOM 211 CA VAL A 13 3.280 -1.301 -2.125 1.00 0.00 C ATOM 212 C VAL A 13 4.210 -2.312 -2.775 1.00 0.00 C ATOM 213 O VAL A 13 5.149 -1.960 -3.453 1.00 0.00 O ATOM 214 CB VAL A 13 2.432 -0.577 -3.173 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.616 0.521 -2.491 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.333 0.052 -4.239 1.00 0.00 C ATOM 0 H VAL A 13 4.548 0.422 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 13 2.657 -1.860 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 13 1.765 -1.296 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.010 1.039 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.965 0.076 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.290 1.232 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.718 0.564 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.007 0.768 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.916 -0.728 -4.729 1.00 0.00 H new ATOM 226 N VAL A 14 3.974 -3.572 -2.557 1.00 0.00 N ATOM 227 CA VAL A 14 4.883 -4.583 -3.145 1.00 0.00 C ATOM 228 C VAL A 14 4.119 -5.791 -3.718 1.00 0.00 C ATOM 229 O VAL A 14 3.124 -6.251 -3.173 1.00 0.00 O ATOM 230 CB VAL A 14 5.769 -4.995 -1.969 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.626 -3.807 -1.522 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.889 -5.451 -0.805 1.00 0.00 C ATOM 0 H VAL A 14 3.200 -3.941 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 14 5.447 -4.188 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 14 6.420 -5.812 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.255 -4.107 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.256 -3.481 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.978 -2.986 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.519 -5.745 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.237 -4.633 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.283 -6.301 -1.118 1.00 0.00 H new ATOM 242 N GLU A 15 4.612 -6.302 -4.822 1.00 0.00 N ATOM 243 CA GLU A 15 3.994 -7.492 -5.489 1.00 0.00 C ATOM 244 C GLU A 15 5.037 -8.150 -6.416 1.00 0.00 C ATOM 245 O GLU A 15 5.690 -7.492 -7.192 1.00 0.00 O ATOM 246 CB GLU A 15 2.802 -6.947 -6.280 1.00 0.00 C ATOM 247 CG GLU A 15 3.287 -5.979 -7.358 1.00 0.00 C ATOM 248 CD GLU A 15 2.767 -6.414 -8.730 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.665 -6.932 -8.789 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.478 -6.213 -9.700 1.00 0.00 O ATOM 0 H GLU A 15 5.436 -5.935 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 15 3.668 -8.254 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.253 -7.769 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.111 -6.439 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.942 -4.970 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.377 -5.949 -7.367 1.00 0.00 H new ATOM 257 N ASP A 16 5.215 -9.438 -6.305 1.00 0.00 N ATOM 258 CA ASP A 16 6.240 -10.168 -7.129 1.00 0.00 C ATOM 259 C ASP A 16 6.571 -9.479 -8.466 1.00 0.00 C ATOM 260 O ASP A 16 7.713 -9.453 -8.880 1.00 0.00 O ATOM 261 CB ASP A 16 5.620 -11.535 -7.388 1.00 0.00 C ATOM 262 CG ASP A 16 4.340 -11.370 -8.207 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.579 -10.467 -7.903 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.143 -12.149 -9.125 1.00 0.00 O ATOM 0 H ASP A 16 4.686 -10.033 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 16 7.190 -10.206 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.326 -12.171 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.398 -12.030 -6.443 1.00 0.00 H new ATOM 269 N GLU A 17 5.603 -8.952 -9.161 1.00 0.00 N ATOM 270 CA GLU A 17 5.910 -8.311 -10.480 1.00 0.00 C ATOM 271 C GLU A 17 6.369 -6.856 -10.314 1.00 0.00 C ATOM 272 O GLU A 17 6.008 -6.180 -9.372 1.00 0.00 O ATOM 273 CB GLU A 17 4.598 -8.382 -11.261 1.00 0.00 C ATOM 274 CG GLU A 17 4.342 -9.829 -11.688 1.00 0.00 C ATOM 275 CD GLU A 17 2.851 -10.145 -11.561 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.058 -9.232 -11.713 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.527 -11.296 -11.312 1.00 0.00 O ATOM 0 H GLU A 17 4.622 -8.934 -8.882 1.00 0.00 H new ATOM 0 HA GLU A 17 6.728 -8.818 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.774 -8.021 -10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.647 -7.735 -12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.669 -9.979 -12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.923 -10.510 -11.066 1.00 0.00 H new ATOM 284 N SER A 18 7.165 -6.375 -11.240 1.00 0.00 N ATOM 285 CA SER A 18 7.657 -4.965 -11.168 1.00 0.00 C ATOM 286 C SER A 18 6.631 -4.022 -11.797 1.00 0.00 C ATOM 287 O SER A 18 6.812 -2.821 -11.828 1.00 0.00 O ATOM 288 CB SER A 18 8.955 -4.958 -11.973 1.00 0.00 C ATOM 289 OG SER A 18 8.648 -4.941 -13.360 1.00 0.00 O ATOM 0 H SER A 18 7.496 -6.904 -12.047 1.00 0.00 H new ATOM 0 HA SER A 18 7.813 -4.631 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.554 -4.086 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.551 -5.838 -11.732 1.00 0.00 H new ATOM 0 HG SER A 18 9.479 -4.935 -13.879 1.00 0.00 H new ATOM 295 N MET A 19 5.545 -4.555 -12.288 1.00 0.00 N ATOM 296 CA MET A 19 4.503 -3.687 -12.899 1.00 0.00 C ATOM 297 C MET A 19 3.959 -2.719 -11.846 1.00 0.00 C ATOM 298 O MET A 19 3.247 -1.784 -12.154 1.00 0.00 O ATOM 299 CB MET A 19 3.407 -4.648 -13.365 1.00 0.00 C ATOM 300 CG MET A 19 2.674 -4.046 -14.565 1.00 0.00 C ATOM 301 SD MET A 19 3.288 -4.802 -16.092 1.00 0.00 S ATOM 302 CE MET A 19 1.712 -5.487 -16.661 1.00 0.00 C ATOM 0 H MET A 19 5.336 -5.553 -12.292 1.00 0.00 H new ATOM 0 HA MET A 19 4.888 -3.086 -13.723 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.843 -5.609 -13.637 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.704 -4.835 -12.553 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.601 -4.213 -14.470 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.827 -2.967 -14.594 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.862 -6.007 -17.607 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.330 -6.188 -15.918 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.993 -4.679 -16.801 1.00 0.00 H new ATOM 312 N ILE A 20 4.286 -2.940 -10.598 1.00 0.00 N ATOM 313 CA ILE A 20 3.782 -2.035 -9.527 1.00 0.00 C ATOM 314 C ILE A 20 4.829 -0.996 -9.147 1.00 0.00 C ATOM 315 O ILE A 20 4.611 -0.181 -8.272 1.00 0.00 O ATOM 316 CB ILE A 20 3.532 -2.928 -8.321 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.219 -2.040 -7.113 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.786 -3.758 -8.033 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.230 -2.752 -6.193 1.00 0.00 C ATOM 0 H ILE A 20 4.878 -3.706 -10.277 1.00 0.00 H new ATOM 0 HA ILE A 20 2.890 -1.505 -9.862 1.00 0.00 H new ATOM 0 HB ILE A 20 2.696 -3.599 -8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.136 -1.812 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.801 -1.090 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.608 -4.398 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.021 -4.375 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.623 -3.092 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.010 -2.117 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.309 -2.957 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.664 -3.690 -5.848 1.00 0.00 H new ATOM 331 N ALA A 21 5.972 -1.036 -9.753 1.00 0.00 N ATOM 332 CA ALA A 21 7.022 -0.066 -9.363 1.00 0.00 C ATOM 333 C ALA A 21 7.019 1.164 -10.253 1.00 0.00 C ATOM 334 O ALA A 21 6.775 2.261 -9.800 1.00 0.00 O ATOM 335 CB ALA A 21 8.323 -0.829 -9.519 1.00 0.00 C ATOM 0 H ALA A 21 6.226 -1.690 -10.494 1.00 0.00 H new ATOM 0 HA ALA A 21 6.865 0.304 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.158 -0.183 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.314 -1.701 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.433 -1.152 -10.554 1.00 0.00 H new ATOM 341 N MET A 22 7.305 1.008 -11.508 1.00 0.00 N ATOM 342 CA MET A 22 7.319 2.203 -12.389 1.00 0.00 C ATOM 343 C MET A 22 6.014 2.967 -12.209 1.00 0.00 C ATOM 344 O MET A 22 5.931 4.156 -12.451 1.00 0.00 O ATOM 345 CB MET A 22 7.451 1.659 -13.811 1.00 0.00 C ATOM 346 CG MET A 22 7.431 2.819 -14.807 1.00 0.00 C ATOM 347 SD MET A 22 6.582 2.302 -16.319 1.00 0.00 S ATOM 348 CE MET A 22 7.116 3.680 -17.361 1.00 0.00 C ATOM 0 H MET A 22 7.527 0.120 -11.959 1.00 0.00 H new ATOM 0 HA MET A 22 8.133 2.891 -12.161 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.379 1.096 -13.911 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.635 0.969 -14.025 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.925 3.679 -14.369 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.449 3.132 -15.038 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.699 3.563 -18.361 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.767 4.618 -16.930 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.204 3.691 -17.420 1.00 0.00 H new ATOM 358 N LEU A 23 4.999 2.291 -11.762 1.00 0.00 N ATOM 359 CA LEU A 23 3.698 2.961 -11.532 1.00 0.00 C ATOM 360 C LEU A 23 3.776 3.771 -10.233 1.00 0.00 C ATOM 361 O LEU A 23 2.893 4.538 -9.905 1.00 0.00 O ATOM 362 CB LEU A 23 2.701 1.787 -11.466 1.00 0.00 C ATOM 363 CG LEU A 23 2.323 1.396 -10.026 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.550 2.514 -9.340 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.427 0.158 -10.080 1.00 0.00 C ATOM 0 H LEU A 23 5.016 1.295 -11.545 1.00 0.00 H new ATOM 0 HA LEU A 23 3.403 3.677 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.797 2.055 -12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.133 0.922 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 23 3.237 1.203 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.296 2.211 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.164 3.414 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.636 2.719 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.149 -0.134 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.528 0.385 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.965 -0.660 -10.559 1.00 0.00 H new ATOM 377 N ILE A 24 4.836 3.603 -9.497 1.00 0.00 N ATOM 378 CA ILE A 24 4.989 4.339 -8.216 1.00 0.00 C ATOM 379 C ILE A 24 5.795 5.631 -8.414 1.00 0.00 C ATOM 380 O ILE A 24 5.388 6.697 -8.001 1.00 0.00 O ATOM 381 CB ILE A 24 5.713 3.340 -7.298 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.135 3.457 -5.890 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.225 3.601 -7.243 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.474 2.197 -5.100 1.00 0.00 C ATOM 0 H ILE A 24 5.610 2.981 -9.731 1.00 0.00 H new ATOM 0 HA ILE A 24 4.037 4.663 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 24 5.562 2.339 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.543 4.335 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.054 3.590 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.696 2.872 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.647 3.510 -8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.407 4.606 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.063 2.277 -4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.045 1.328 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.557 2.084 -5.042 1.00 0.00 H new ATOM 396 N GLU A 25 6.938 5.544 -9.031 1.00 0.00 N ATOM 397 CA GLU A 25 7.759 6.769 -9.234 1.00 0.00 C ATOM 398 C GLU A 25 6.919 7.861 -9.899 1.00 0.00 C ATOM 399 O GLU A 25 7.071 9.033 -9.614 1.00 0.00 O ATOM 400 CB GLU A 25 8.905 6.329 -10.141 1.00 0.00 C ATOM 401 CG GLU A 25 9.917 5.527 -9.321 1.00 0.00 C ATOM 402 CD GLU A 25 11.336 5.900 -9.753 1.00 0.00 C ATOM 403 OE1 GLU A 25 11.493 6.346 -10.877 1.00 0.00 O ATOM 404 OE2 GLU A 25 12.241 5.732 -8.952 1.00 0.00 O ATOM 0 H GLU A 25 7.339 4.683 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 25 8.126 7.186 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.522 5.723 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.388 7.199 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.784 5.732 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.751 4.459 -9.463 1.00 0.00 H new ATOM 411 N ASP A 26 6.032 7.488 -10.779 1.00 0.00 N ATOM 412 CA ASP A 26 5.184 8.509 -11.455 1.00 0.00 C ATOM 413 C ASP A 26 4.196 9.115 -10.449 1.00 0.00 C ATOM 414 O ASP A 26 3.976 10.309 -10.426 1.00 0.00 O ATOM 415 CB ASP A 26 4.466 7.746 -12.580 1.00 0.00 C ATOM 416 CG ASP A 26 3.124 7.184 -12.095 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.121 6.491 -11.095 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.125 7.457 -12.739 1.00 0.00 O ATOM 0 H ASP A 26 5.858 6.523 -11.059 1.00 0.00 H new ATOM 0 HA ASP A 26 5.759 9.344 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.300 8.412 -13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.099 6.932 -12.933 1.00 0.00 H new ATOM 423 N THR A 27 3.613 8.301 -9.610 1.00 0.00 N ATOM 424 CA THR A 27 2.660 8.832 -8.601 1.00 0.00 C ATOM 425 C THR A 27 3.415 9.761 -7.652 1.00 0.00 C ATOM 426 O THR A 27 3.131 10.939 -7.558 1.00 0.00 O ATOM 427 CB THR A 27 2.136 7.600 -7.858 1.00 0.00 C ATOM 428 OG1 THR A 27 3.076 6.543 -7.977 1.00 0.00 O ATOM 429 CG2 THR A 27 0.801 7.157 -8.459 1.00 0.00 C ATOM 0 H THR A 27 3.758 7.292 -9.582 1.00 0.00 H new ATOM 0 HA THR A 27 1.842 9.403 -9.042 1.00 0.00 H new ATOM 0 HB THR A 27 1.992 7.851 -6.807 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.911 6.796 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.435 6.280 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.076 7.966 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.940 6.909 -9.511 1.00 0.00 H new ATOM 437 N LEU A 28 4.395 9.240 -6.968 1.00 0.00 N ATOM 438 CA LEU A 28 5.199 10.089 -6.043 1.00 0.00 C ATOM 439 C LEU A 28 5.636 11.362 -6.782 1.00 0.00 C ATOM 440 O LEU A 28 5.904 12.383 -6.181 1.00 0.00 O ATOM 441 CB LEU A 28 6.398 9.197 -5.665 1.00 0.00 C ATOM 442 CG LEU A 28 7.728 9.941 -5.834 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.843 11.027 -4.764 1.00 0.00 C ATOM 444 CD2 LEU A 28 8.887 8.952 -5.680 1.00 0.00 C ATOM 0 H LEU A 28 4.675 8.260 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 28 4.658 10.419 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.294 8.865 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.398 8.303 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 28 7.766 10.398 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.788 11.557 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.017 11.730 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.806 10.569 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.833 9.479 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.848 8.497 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.806 8.175 -6.440 1.00 0.00 H new ATOM 456 N CYS A 29 5.713 11.303 -8.085 1.00 0.00 N ATOM 457 CA CYS A 29 6.135 12.503 -8.863 1.00 0.00 C ATOM 458 C CYS A 29 5.100 13.620 -8.715 1.00 0.00 C ATOM 459 O CYS A 29 5.438 14.780 -8.582 1.00 0.00 O ATOM 460 CB CYS A 29 6.215 12.034 -10.316 1.00 0.00 C ATOM 461 SG CYS A 29 7.775 12.600 -11.041 1.00 0.00 S ATOM 0 H CYS A 29 5.502 10.476 -8.643 1.00 0.00 H new ATOM 0 HA CYS A 29 7.087 12.903 -8.515 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.152 10.947 -10.364 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.372 12.428 -10.884 1.00 0.00 H new ATOM 0 HG CYS A 29 7.849 12.202 -12.276 1.00 0.00 H new ATOM 467 N GLU A 30 3.843 13.282 -8.736 1.00 0.00 N ATOM 468 CA GLU A 30 2.794 14.322 -8.597 1.00 0.00 C ATOM 469 C GLU A 30 2.509 14.598 -7.119 1.00 0.00 C ATOM 470 O GLU A 30 2.111 15.684 -6.749 1.00 0.00 O ATOM 471 CB GLU A 30 1.558 13.736 -9.278 1.00 0.00 C ATOM 472 CG GLU A 30 0.399 14.728 -9.161 1.00 0.00 C ATOM 473 CD GLU A 30 0.241 15.488 -10.480 1.00 0.00 C ATOM 474 OE1 GLU A 30 0.916 16.490 -10.649 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.553 15.055 -11.298 1.00 0.00 O ATOM 0 H GLU A 30 3.498 12.328 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 30 3.096 15.269 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.770 13.529 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.288 12.787 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.523 14.199 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.586 15.428 -8.346 1.00 0.00 H new ATOM 482 N LEU A 31 2.700 13.625 -6.271 1.00 0.00 N ATOM 483 CA LEU A 31 2.427 13.845 -4.822 1.00 0.00 C ATOM 484 C LEU A 31 3.710 14.252 -4.089 1.00 0.00 C ATOM 485 O LEU A 31 3.688 15.082 -3.202 1.00 0.00 O ATOM 486 CB LEU A 31 1.918 12.499 -4.299 1.00 0.00 C ATOM 487 CG LEU A 31 0.789 11.984 -5.196 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.874 10.460 -5.285 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.564 12.383 -4.599 1.00 0.00 C ATOM 0 H LEU A 31 3.031 12.692 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 31 1.704 14.645 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.734 11.776 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.560 12.609 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 31 0.887 12.418 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.072 10.087 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.837 10.173 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.774 10.031 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.366 12.016 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.665 11.949 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.625 13.469 -4.528 1.00 0.00 H new ATOM 501 N GLY A 32 4.826 13.670 -4.441 1.00 0.00 N ATOM 502 CA GLY A 32 6.097 14.027 -3.745 1.00 0.00 C ATOM 503 C GLY A 32 6.000 13.575 -2.290 1.00 0.00 C ATOM 504 O GLY A 32 6.350 14.294 -1.374 1.00 0.00 O ATOM 0 H GLY A 32 4.913 12.967 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.944 13.547 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.267 15.102 -3.796 1.00 0.00 H new ATOM 508 N HIS A 33 5.515 12.386 -2.076 1.00 0.00 N ATOM 509 CA HIS A 33 5.370 11.863 -0.691 1.00 0.00 C ATOM 510 C HIS A 33 6.733 11.417 -0.137 1.00 0.00 C ATOM 511 O HIS A 33 7.768 11.860 -0.594 1.00 0.00 O ATOM 512 CB HIS A 33 4.415 10.681 -0.842 1.00 0.00 C ATOM 513 CG HIS A 33 3.000 11.154 -0.654 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.990 10.840 -1.551 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.411 11.916 0.323 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.857 11.405 -1.098 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.057 12.073 0.042 1.00 0.00 N ATOM 0 H HIS A 33 5.209 11.747 -2.810 1.00 0.00 H new ATOM 0 HA HIS A 33 4.995 12.609 0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.531 10.229 -1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.653 9.911 -0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.921 12.331 1.180 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.099 11.328 -1.595 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.366 12.587 0.588 1.00 0.00 H new ATOM 525 N GLU A 34 6.745 10.559 0.854 1.00 0.00 N ATOM 526 CA GLU A 34 8.053 10.113 1.433 1.00 0.00 C ATOM 527 C GLU A 34 8.752 9.096 0.508 1.00 0.00 C ATOM 528 O GLU A 34 9.345 9.466 -0.485 1.00 0.00 O ATOM 529 CB GLU A 34 7.691 9.495 2.790 1.00 0.00 C ATOM 530 CG GLU A 34 8.957 9.330 3.633 1.00 0.00 C ATOM 531 CD GLU A 34 8.570 8.955 5.065 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.112 7.842 5.263 1.00 0.00 O ATOM 533 OE2 GLU A 34 8.736 9.789 5.941 1.00 0.00 O ATOM 0 H GLU A 34 5.915 10.151 1.284 1.00 0.00 H new ATOM 0 HA GLU A 34 8.759 10.936 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.975 10.131 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.211 8.528 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.595 8.558 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.532 10.256 3.631 1.00 0.00 H new ATOM 540 N VAL A 35 8.690 7.824 0.817 1.00 0.00 N ATOM 541 CA VAL A 35 9.351 6.806 -0.054 1.00 0.00 C ATOM 542 C VAL A 35 8.361 5.689 -0.407 1.00 0.00 C ATOM 543 O VAL A 35 7.710 5.129 0.454 1.00 0.00 O ATOM 544 CB VAL A 35 10.505 6.252 0.784 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.421 7.397 1.220 1.00 0.00 C ATOM 546 CG2 VAL A 35 9.947 5.550 2.024 1.00 0.00 C ATOM 0 H VAL A 35 8.210 7.448 1.635 1.00 0.00 H new ATOM 0 HA VAL A 35 9.699 7.233 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 35 11.073 5.540 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.242 6.999 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.822 7.898 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.852 8.111 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.770 5.156 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.376 6.263 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.297 4.731 1.717 1.00 0.00 H new ATOM 556 N ALA A 36 8.236 5.365 -1.667 1.00 0.00 N ATOM 557 CA ALA A 36 7.283 4.297 -2.075 1.00 0.00 C ATOM 558 C ALA A 36 7.998 2.957 -2.250 1.00 0.00 C ATOM 559 O ALA A 36 9.199 2.899 -2.424 1.00 0.00 O ATOM 560 CB ALA A 36 6.714 4.767 -3.413 1.00 0.00 C ATOM 0 H ALA A 36 8.755 5.796 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 36 6.510 4.141 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.000 4.032 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.212 5.725 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.524 4.880 -4.133 1.00 0.00 H new ATOM 566 N ALA A 37 7.264 1.877 -2.219 1.00 0.00 N ATOM 567 CA ALA A 37 7.910 0.540 -2.399 1.00 0.00 C ATOM 568 C ALA A 37 7.291 -0.194 -3.588 1.00 0.00 C ATOM 569 O ALA A 37 6.148 0.024 -3.935 1.00 0.00 O ATOM 570 CB ALA A 37 7.635 -0.226 -1.108 1.00 0.00 C ATOM 0 H ALA A 37 6.254 1.860 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 37 8.978 0.633 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.082 -1.218 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.068 0.314 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.559 -0.321 -0.964 1.00 0.00 H new ATOM 576 N THR A 38 8.041 -1.064 -4.211 1.00 0.00 N ATOM 577 CA THR A 38 7.504 -1.822 -5.377 1.00 0.00 C ATOM 578 C THR A 38 7.958 -3.284 -5.327 1.00 0.00 C ATOM 579 O THR A 38 8.827 -3.655 -4.563 1.00 0.00 O ATOM 580 CB THR A 38 8.071 -1.138 -6.624 1.00 0.00 C ATOM 581 OG1 THR A 38 9.369 -1.651 -6.893 1.00 0.00 O ATOM 582 CG2 THR A 38 8.156 0.377 -6.409 1.00 0.00 C ATOM 0 H THR A 38 9.005 -1.282 -3.961 1.00 0.00 H new ATOM 0 HA THR A 38 6.414 -1.823 -5.377 1.00 0.00 H new ATOM 0 HB THR A 38 7.411 -1.338 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.910 -0.960 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.561 0.849 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.160 0.773 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.807 0.588 -5.561 1.00 0.00 H new ATOM 590 N ALA A 39 7.357 -4.107 -6.140 1.00 0.00 N ATOM 591 CA ALA A 39 7.705 -5.556 -6.167 1.00 0.00 C ATOM 592 C ALA A 39 7.551 -6.153 -4.779 1.00 0.00 C ATOM 593 O ALA A 39 7.674 -5.475 -3.791 1.00 0.00 O ATOM 594 CB ALA A 39 9.156 -5.640 -6.613 1.00 0.00 C ATOM 0 H ALA A 39 6.627 -3.833 -6.798 1.00 0.00 H new ATOM 0 HA ALA A 39 7.051 -6.109 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.465 -6.685 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.259 -5.195 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.786 -5.100 -5.906 1.00 0.00 H new ATOM 600 N SER A 40 7.271 -7.417 -4.696 1.00 0.00 N ATOM 601 CA SER A 40 7.114 -8.046 -3.357 1.00 0.00 C ATOM 602 C SER A 40 8.494 -8.262 -2.743 1.00 0.00 C ATOM 603 O SER A 40 9.150 -9.255 -2.988 1.00 0.00 O ATOM 604 CB SER A 40 6.407 -9.366 -3.612 1.00 0.00 C ATOM 605 OG SER A 40 7.267 -10.234 -4.339 1.00 0.00 O ATOM 0 H SER A 40 7.144 -8.043 -5.492 1.00 0.00 H new ATOM 0 HA SER A 40 6.544 -7.431 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.123 -9.827 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.487 -9.196 -4.172 1.00 0.00 H new ATOM 0 HG SER A 40 8.186 -10.129 -4.017 1.00 0.00 H new ATOM 611 N ARG A 41 8.954 -7.315 -1.972 1.00 0.00 N ATOM 612 CA ARG A 41 10.303 -7.430 -1.371 1.00 0.00 C ATOM 613 C ARG A 41 10.229 -7.474 0.156 1.00 0.00 C ATOM 614 O ARG A 41 9.827 -6.521 0.794 1.00 0.00 O ATOM 615 CB ARG A 41 11.020 -6.160 -1.822 1.00 0.00 C ATOM 616 CG ARG A 41 12.512 -6.441 -1.981 1.00 0.00 C ATOM 617 CD ARG A 41 12.798 -6.825 -3.433 1.00 0.00 C ATOM 618 NE ARG A 41 14.264 -6.636 -3.600 1.00 0.00 N ATOM 619 CZ ARG A 41 15.067 -7.663 -3.531 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.715 -8.724 -2.856 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.223 -7.629 -4.136 1.00 0.00 N ATOM 0 H ARG A 41 8.446 -6.463 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 41 10.811 -8.344 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.603 -5.811 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.865 -5.365 -1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.092 -5.561 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.816 -7.246 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.508 -7.856 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.238 -6.196 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 41 14.642 -5.704 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.812 -8.751 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.343 -9.526 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.499 -6.800 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.851 -8.431 -4.082 1.00 0.00 H new ATOM 635 N MET A 42 10.634 -8.563 0.750 1.00 0.00 N ATOM 636 CA MET A 42 10.606 -8.646 2.235 1.00 0.00 C ATOM 637 C MET A 42 11.386 -7.467 2.817 1.00 0.00 C ATOM 638 O MET A 42 11.024 -6.904 3.832 1.00 0.00 O ATOM 639 CB MET A 42 11.302 -9.965 2.574 1.00 0.00 C ATOM 640 CG MET A 42 10.434 -11.136 2.113 1.00 0.00 C ATOM 641 SD MET A 42 10.903 -12.625 3.028 1.00 0.00 S ATOM 642 CE MET A 42 9.251 -13.050 3.627 1.00 0.00 C ATOM 0 H MET A 42 10.981 -9.395 0.273 1.00 0.00 H new ATOM 0 HA MET A 42 9.595 -8.610 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.277 -10.009 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.477 -10.030 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.381 -10.910 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.561 -11.298 1.043 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.317 -13.905 4.300 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.828 -12.199 4.161 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.611 -13.303 2.781 1.00 0.00 H new ATOM 652 N GLN A 43 12.456 -7.089 2.169 1.00 0.00 N ATOM 653 CA GLN A 43 13.271 -5.942 2.663 1.00 0.00 C ATOM 654 C GLN A 43 12.382 -4.715 2.867 1.00 0.00 C ATOM 655 O GLN A 43 12.249 -4.207 3.962 1.00 0.00 O ATOM 656 CB GLN A 43 14.295 -5.681 1.556 1.00 0.00 C ATOM 657 CG GLN A 43 15.668 -5.426 2.180 1.00 0.00 C ATOM 658 CD GLN A 43 16.745 -5.517 1.096 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.491 -5.998 0.010 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.947 -5.075 1.348 1.00 0.00 N ATOM 0 H GLN A 43 12.801 -7.528 1.315 1.00 0.00 H new ATOM 0 HA GLN A 43 13.748 -6.154 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.343 -6.536 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.990 -4.822 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.690 -4.442 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.864 -6.156 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.161 -4.671 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.672 -5.134 0.633 1.00 0.00 H new ATOM 669 N GLU A 44 11.770 -4.237 1.819 1.00 0.00 N ATOM 670 CA GLU A 44 10.888 -3.048 1.951 1.00 0.00 C ATOM 671 C GLU A 44 9.696 -3.380 2.848 1.00 0.00 C ATOM 672 O GLU A 44 9.358 -2.633 3.744 1.00 0.00 O ATOM 673 CB GLU A 44 10.421 -2.734 0.530 1.00 0.00 C ATOM 674 CG GLU A 44 11.543 -2.025 -0.228 1.00 0.00 C ATOM 675 CD GLU A 44 11.004 -1.489 -1.554 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.174 -2.158 -2.149 1.00 0.00 O ATOM 677 OE2 GLU A 44 11.429 -0.418 -1.953 1.00 0.00 O ATOM 0 H GLU A 44 11.844 -4.620 0.877 1.00 0.00 H new ATOM 0 HA GLU A 44 11.402 -2.199 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.144 -3.654 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.532 -2.104 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.941 -1.207 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.366 -2.716 -0.411 1.00 0.00 H new ATOM 684 N ALA A 45 9.059 -4.498 2.614 1.00 0.00 N ATOM 685 CA ALA A 45 7.889 -4.881 3.454 1.00 0.00 C ATOM 686 C ALA A 45 8.185 -4.581 4.920 1.00 0.00 C ATOM 687 O ALA A 45 7.535 -3.767 5.539 1.00 0.00 O ATOM 688 CB ALA A 45 7.711 -6.382 3.235 1.00 0.00 C ATOM 0 H ALA A 45 9.300 -5.161 1.877 1.00 0.00 H new ATOM 0 HA ALA A 45 6.988 -4.328 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.865 -6.738 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.525 -6.576 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.615 -6.905 3.547 1.00 0.00 H new ATOM 694 N LEU A 46 9.176 -5.216 5.471 1.00 0.00 N ATOM 695 CA LEU A 46 9.531 -4.943 6.890 1.00 0.00 C ATOM 696 C LEU A 46 9.524 -3.432 7.114 1.00 0.00 C ATOM 697 O LEU A 46 9.057 -2.934 8.119 1.00 0.00 O ATOM 698 CB LEU A 46 10.947 -5.503 7.039 1.00 0.00 C ATOM 699 CG LEU A 46 11.659 -4.826 8.213 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.773 -5.738 8.725 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.265 -3.501 7.744 1.00 0.00 C ATOM 0 H LEU A 46 9.756 -5.912 5.003 1.00 0.00 H new ATOM 0 HA LEU A 46 8.841 -5.388 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.905 -6.580 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.509 -5.340 6.120 1.00 0.00 H new ATOM 0 HG LEU A 46 10.943 -4.638 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.281 -5.258 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.345 -6.684 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.488 -5.924 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.772 -3.017 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.981 -3.691 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.473 -2.850 7.374 1.00 0.00 H new ATOM 713 N ASP A 47 10.048 -2.710 6.168 1.00 0.00 N ATOM 714 CA ASP A 47 10.095 -1.226 6.279 1.00 0.00 C ATOM 715 C ASP A 47 8.673 -0.642 6.260 1.00 0.00 C ATOM 716 O ASP A 47 8.449 0.481 6.662 1.00 0.00 O ATOM 717 CB ASP A 47 10.926 -0.777 5.060 1.00 0.00 C ATOM 718 CG ASP A 47 10.159 0.237 4.199 1.00 0.00 C ATOM 719 OD1 ASP A 47 9.717 1.234 4.745 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.029 -0.005 3.010 1.00 0.00 O ATOM 0 H ASP A 47 10.451 -3.088 5.311 1.00 0.00 H new ATOM 0 HA ASP A 47 10.539 -0.880 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.862 -0.333 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.186 -1.646 4.456 1.00 0.00 H new ATOM 725 N ILE A 48 7.714 -1.393 5.794 1.00 0.00 N ATOM 726 CA ILE A 48 6.318 -0.871 5.754 1.00 0.00 C ATOM 727 C ILE A 48 5.571 -1.266 7.033 1.00 0.00 C ATOM 728 O ILE A 48 4.646 -0.607 7.435 1.00 0.00 O ATOM 729 CB ILE A 48 5.640 -1.476 4.498 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.857 -2.752 4.844 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.684 -1.812 3.435 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.409 -3.445 3.549 1.00 0.00 C ATOM 0 H ILE A 48 7.835 -2.342 5.440 1.00 0.00 H new ATOM 0 HA ILE A 48 6.305 0.218 5.698 1.00 0.00 H new ATOM 0 HB ILE A 48 4.947 -0.728 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.480 -3.425 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.989 -2.504 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.190 -2.236 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.215 -0.905 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.393 -2.536 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.854 -4.350 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.771 -2.771 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.284 -3.706 2.955 1.00 0.00 H new ATOM 744 N ALA A 49 5.948 -2.344 7.666 1.00 0.00 N ATOM 745 CA ALA A 49 5.224 -2.759 8.901 1.00 0.00 C ATOM 746 C ALA A 49 5.903 -2.225 10.170 1.00 0.00 C ATOM 747 O ALA A 49 5.375 -1.372 10.856 1.00 0.00 O ATOM 748 CB ALA A 49 5.264 -4.287 8.887 1.00 0.00 C ATOM 0 H ALA A 49 6.719 -2.950 7.385 1.00 0.00 H new ATOM 0 HA ALA A 49 4.209 -2.362 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.750 -4.673 9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.770 -4.656 7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.301 -4.624 8.896 1.00 0.00 H new ATOM 754 N ARG A 50 7.059 -2.741 10.497 1.00 0.00 N ATOM 755 CA ARG A 50 7.770 -2.294 11.734 1.00 0.00 C ATOM 756 C ARG A 50 8.047 -0.789 11.700 1.00 0.00 C ATOM 757 O ARG A 50 8.400 -0.191 12.697 1.00 0.00 O ATOM 758 CB ARG A 50 9.090 -3.071 11.727 1.00 0.00 C ATOM 759 CG ARG A 50 8.895 -4.434 12.395 1.00 0.00 C ATOM 760 CD ARG A 50 9.757 -5.480 11.682 1.00 0.00 C ATOM 761 NE ARG A 50 11.130 -5.288 12.229 1.00 0.00 N ATOM 762 CZ ARG A 50 11.551 -6.027 13.220 1.00 0.00 C ATOM 763 NH1 ARG A 50 11.718 -7.312 13.054 1.00 0.00 N ATOM 764 NH2 ARG A 50 11.812 -5.480 14.375 1.00 0.00 N ATOM 0 H ARG A 50 7.545 -3.457 9.958 1.00 0.00 H new ATOM 0 HA ARG A 50 7.176 -2.479 12.629 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.438 -3.205 10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.858 -2.505 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.170 -4.377 13.448 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.845 -4.724 12.355 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.393 -6.489 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.739 -5.336 10.602 1.00 0.00 H new ATOM 0 HE ARG A 50 11.742 -4.578 11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.520 -7.739 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.047 -7.888 13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.687 -4.476 14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.141 -6.056 15.150 1.00 0.00 H new ATOM 778 N LYS A 51 7.915 -0.179 10.560 1.00 0.00 N ATOM 779 CA LYS A 51 8.199 1.279 10.451 1.00 0.00 C ATOM 780 C LYS A 51 7.206 2.121 11.269 1.00 0.00 C ATOM 781 O LYS A 51 7.596 3.027 11.979 1.00 0.00 O ATOM 782 CB LYS A 51 8.060 1.572 8.952 1.00 0.00 C ATOM 783 CG LYS A 51 7.651 3.030 8.731 1.00 0.00 C ATOM 784 CD LYS A 51 8.416 3.617 7.544 1.00 0.00 C ATOM 785 CE LYS A 51 9.831 3.997 7.987 1.00 0.00 C ATOM 786 NZ LYS A 51 10.626 4.052 6.729 1.00 0.00 N ATOM 0 H LYS A 51 7.621 -0.628 9.693 1.00 0.00 H new ATOM 0 HA LYS A 51 9.182 1.534 10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.005 1.372 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.316 0.908 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.578 3.091 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.855 3.613 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.460 2.892 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.896 4.494 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.839 4.958 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.239 3.261 8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.610 4.307 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.606 3.122 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.219 4.766 6.092 1.00 0.00 H new ATOM 800 N GLY A 52 5.933 1.863 11.157 1.00 0.00 N ATOM 801 CA GLY A 52 4.956 2.699 11.912 1.00 0.00 C ATOM 802 C GLY A 52 5.143 4.157 11.473 1.00 0.00 C ATOM 803 O GLY A 52 5.641 4.984 12.211 1.00 0.00 O ATOM 0 H GLY A 52 5.530 1.121 10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.937 2.368 11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.119 2.600 12.985 1.00 0.00 H new ATOM 807 N GLN A 53 4.765 4.461 10.259 1.00 0.00 N ATOM 808 CA GLN A 53 4.930 5.851 9.722 1.00 0.00 C ATOM 809 C GLN A 53 4.628 5.832 8.215 1.00 0.00 C ATOM 810 O GLN A 53 4.149 6.788 7.640 1.00 0.00 O ATOM 811 CB GLN A 53 6.404 6.195 10.008 1.00 0.00 C ATOM 812 CG GLN A 53 7.017 6.990 8.847 1.00 0.00 C ATOM 813 CD GLN A 53 6.213 8.273 8.619 1.00 0.00 C ATOM 814 OE1 GLN A 53 5.935 9.003 9.549 1.00 0.00 O ATOM 815 NE2 GLN A 53 5.826 8.583 7.410 1.00 0.00 N ATOM 0 H GLN A 53 4.344 3.800 9.607 1.00 0.00 H new ATOM 0 HA GLN A 53 4.262 6.587 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.474 6.775 10.928 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.972 5.278 10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.056 7.235 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.019 6.385 7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.058 7.971 6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.292 9.437 7.249 1.00 0.00 H new ATOM 824 N PHE A 54 4.897 4.718 7.599 1.00 0.00 N ATOM 825 CA PHE A 54 4.638 4.530 6.143 1.00 0.00 C ATOM 826 C PHE A 54 3.129 4.585 5.865 1.00 0.00 C ATOM 827 O PHE A 54 2.699 4.574 4.733 1.00 0.00 O ATOM 828 CB PHE A 54 5.156 3.110 5.883 1.00 0.00 C ATOM 829 CG PHE A 54 4.107 2.126 6.364 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.931 1.886 7.734 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.277 1.498 5.439 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.927 1.019 8.170 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.279 0.626 5.873 1.00 0.00 C ATOM 834 CZ PHE A 54 2.099 0.386 7.238 1.00 0.00 C ATOM 0 H PHE A 54 5.299 3.901 8.059 1.00 0.00 H new ATOM 0 HA PHE A 54 5.107 5.291 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.353 2.966 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.098 2.947 6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.573 2.373 8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.406 1.687 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.790 0.838 9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.643 0.134 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.323 -0.286 7.572 1.00 0.00 H new ATOM 844 N ASP A 55 2.356 4.584 6.919 1.00 0.00 N ATOM 845 CA ASP A 55 0.872 4.586 6.847 1.00 0.00 C ATOM 846 C ASP A 55 0.325 3.472 5.944 1.00 0.00 C ATOM 847 O ASP A 55 -0.398 2.623 6.409 1.00 0.00 O ATOM 848 CB ASP A 55 0.433 5.990 6.386 1.00 0.00 C ATOM 849 CG ASP A 55 0.955 6.312 4.991 1.00 0.00 C ATOM 850 OD1 ASP A 55 2.072 6.794 4.897 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.230 6.077 4.039 1.00 0.00 O ATOM 0 H ASP A 55 2.717 4.582 7.873 1.00 0.00 H new ATOM 0 HA ASP A 55 0.453 4.371 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.655 6.051 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.797 6.736 7.092 1.00 0.00 H new ATOM 856 N ILE A 56 0.620 3.458 4.672 1.00 0.00 N ATOM 857 CA ILE A 56 0.022 2.395 3.803 1.00 0.00 C ATOM 858 C ILE A 56 1.030 1.372 3.271 1.00 0.00 C ATOM 859 O ILE A 56 2.126 1.703 2.873 1.00 0.00 O ATOM 860 CB ILE A 56 -0.584 3.185 2.652 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.618 4.159 3.218 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.245 2.230 1.657 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.883 5.279 2.206 1.00 0.00 C ATOM 0 H ILE A 56 1.236 4.121 4.201 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.688 1.791 4.367 1.00 0.00 H new ATOM 0 HB ILE A 56 0.195 3.741 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.545 3.631 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.258 4.581 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.677 2.802 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.499 1.539 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.031 1.667 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.620 5.971 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.955 5.815 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.262 4.849 1.279 1.00 0.00 H new ATOM 875 N ALA A 57 0.624 0.120 3.224 1.00 0.00 N ATOM 876 CA ALA A 57 1.523 -0.952 2.686 1.00 0.00 C ATOM 877 C ALA A 57 0.709 -1.896 1.805 1.00 0.00 C ATOM 878 O ALA A 57 -0.409 -2.228 2.127 1.00 0.00 O ATOM 879 CB ALA A 57 2.052 -1.706 3.907 1.00 0.00 C ATOM 0 H ALA A 57 -0.292 -0.203 3.536 1.00 0.00 H new ATOM 0 HA ALA A 57 2.336 -0.543 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.717 -2.505 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.600 -1.018 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.216 -2.133 4.461 1.00 0.00 H new ATOM 885 N ILE A 58 1.230 -2.333 0.693 1.00 0.00 N ATOM 886 CA ILE A 58 0.406 -3.237 -0.159 1.00 0.00 C ATOM 887 C ILE A 58 1.167 -4.485 -0.626 1.00 0.00 C ATOM 888 O ILE A 58 1.819 -4.486 -1.651 1.00 0.00 O ATOM 889 CB ILE A 58 -0.007 -2.379 -1.356 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.083 -1.385 -0.917 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.563 -3.276 -2.464 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.425 -0.213 -0.187 1.00 0.00 C ATOM 0 H ILE A 58 2.163 -2.113 0.344 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.444 -3.623 0.403 1.00 0.00 H new ATOM 0 HB ILE A 58 0.861 -1.838 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.635 -1.023 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.803 -1.877 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.857 -2.663 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.203 -3.987 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.432 -3.819 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.191 0.496 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.108 -0.583 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.278 0.284 -0.856 1.00 0.00 H new ATOM 904 N ILE A 59 1.014 -5.566 0.091 1.00 0.00 N ATOM 905 CA ILE A 59 1.638 -6.857 -0.324 1.00 0.00 C ATOM 906 C ILE A 59 0.519 -7.659 -0.991 1.00 0.00 C ATOM 907 O ILE A 59 0.018 -8.636 -0.471 1.00 0.00 O ATOM 908 CB ILE A 59 2.121 -7.506 0.975 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.394 -6.790 1.447 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.429 -8.982 0.727 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.366 -6.612 2.968 1.00 0.00 C ATOM 0 H ILE A 59 0.477 -5.610 0.957 1.00 0.00 H new ATOM 0 HA ILE A 59 2.475 -6.773 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 59 1.346 -7.424 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.273 -7.366 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.475 -5.818 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.773 -9.443 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.528 -9.489 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.207 -9.069 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.274 -6.103 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.497 -6.017 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.307 -7.589 3.448 1.00 0.00 H new ATOM 923 N ASP A 60 0.096 -7.175 -2.123 1.00 0.00 N ATOM 924 CA ASP A 60 -1.043 -7.787 -2.877 1.00 0.00 C ATOM 925 C ASP A 60 -0.812 -9.245 -3.265 1.00 0.00 C ATOM 926 O ASP A 60 0.000 -9.952 -2.702 1.00 0.00 O ATOM 927 CB ASP A 60 -1.120 -6.939 -4.142 1.00 0.00 C ATOM 928 CG ASP A 60 0.122 -7.214 -4.984 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.055 -7.790 -4.450 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.131 -6.841 -6.144 1.00 0.00 O ATOM 0 H ASP A 60 0.502 -6.355 -2.574 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.947 -7.797 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.021 -7.180 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.178 -5.881 -3.886 1.00 0.00 H new ATOM 935 N VAL A 61 -1.557 -9.655 -4.254 1.00 0.00 N ATOM 936 CA VAL A 61 -1.498 -11.031 -4.820 1.00 0.00 C ATOM 937 C VAL A 61 -1.504 -12.152 -3.783 1.00 0.00 C ATOM 938 O VAL A 61 -0.524 -12.831 -3.568 1.00 0.00 O ATOM 939 CB VAL A 61 -0.235 -11.064 -5.663 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.014 -10.884 -4.794 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.150 -12.400 -6.401 1.00 0.00 C ATOM 0 H VAL A 61 -2.241 -9.056 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.402 -11.224 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.279 -10.242 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.903 -10.912 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.964 -9.924 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.065 -11.688 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.756 -12.424 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.125 -13.215 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.021 -12.515 -7.047 1.00 0.00 H new ATOM 951 N ASN A 62 -2.638 -12.412 -3.212 1.00 0.00 N ATOM 952 CA ASN A 62 -2.759 -13.556 -2.259 1.00 0.00 C ATOM 953 C ASN A 62 -3.085 -14.830 -3.052 1.00 0.00 C ATOM 954 O ASN A 62 -3.788 -15.704 -2.584 1.00 0.00 O ATOM 955 CB ASN A 62 -3.938 -13.204 -1.358 1.00 0.00 C ATOM 956 CG ASN A 62 -5.250 -13.260 -2.164 1.00 0.00 C ATOM 957 OD1 ASN A 62 -6.320 -13.305 -1.587 1.00 0.00 O ATOM 958 ND2 ASN A 62 -5.223 -13.261 -3.478 1.00 0.00 N ATOM 0 H ASN A 62 -3.497 -11.882 -3.361 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.845 -13.725 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.986 -13.899 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.801 -12.207 -0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.095 -13.299 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.330 -13.223 -3.970 1.00 0.00 H new ATOM 965 N LEU A 63 -2.597 -14.924 -4.262 1.00 0.00 N ATOM 966 CA LEU A 63 -2.889 -16.111 -5.106 1.00 0.00 C ATOM 967 C LEU A 63 -1.667 -16.427 -5.961 1.00 0.00 C ATOM 968 O LEU A 63 -0.666 -15.742 -5.895 1.00 0.00 O ATOM 969 CB LEU A 63 -4.076 -15.688 -5.984 1.00 0.00 C ATOM 970 CG LEU A 63 -3.665 -14.532 -6.908 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.471 -14.601 -8.209 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.949 -13.194 -6.220 1.00 0.00 C ATOM 0 H LEU A 63 -2.004 -14.220 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.121 -17.004 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.418 -16.535 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.912 -15.381 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.601 -14.615 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.178 -13.780 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.275 -15.550 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.534 -14.522 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.656 -12.377 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.013 -13.118 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.380 -13.134 -5.292 1.00 0.00 H new ATOM 984 N ASP A 64 -1.726 -17.455 -6.757 1.00 0.00 N ATOM 985 CA ASP A 64 -0.547 -17.793 -7.600 1.00 0.00 C ATOM 986 C ASP A 64 0.670 -18.035 -6.708 1.00 0.00 C ATOM 987 O ASP A 64 1.795 -18.054 -7.165 1.00 0.00 O ATOM 988 CB ASP A 64 -0.330 -16.556 -8.468 1.00 0.00 C ATOM 989 CG ASP A 64 -1.664 -16.132 -9.085 1.00 0.00 C ATOM 990 OD1 ASP A 64 -2.597 -16.917 -9.022 1.00 0.00 O ATOM 991 OD2 ASP A 64 -1.732 -15.031 -9.603 1.00 0.00 O ATOM 0 H ASP A 64 -2.532 -18.072 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.697 -18.693 -8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.081 -15.744 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.395 -16.771 -9.253 1.00 0.00 H new ATOM 996 N GLY A 65 0.452 -18.218 -5.436 1.00 0.00 N ATOM 997 CA GLY A 65 1.591 -18.452 -4.514 1.00 0.00 C ATOM 998 C GLY A 65 1.273 -17.860 -3.146 1.00 0.00 C ATOM 999 O GLY A 65 1.739 -18.331 -2.129 1.00 0.00 O ATOM 0 H GLY A 65 -0.469 -18.215 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.784 -19.521 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.497 -17.998 -4.916 1.00 0.00 H new ATOM 1003 N GLU A 66 0.485 -16.826 -3.114 1.00 0.00 N ATOM 1004 CA GLU A 66 0.142 -16.195 -1.813 1.00 0.00 C ATOM 1005 C GLU A 66 1.422 -15.798 -1.071 1.00 0.00 C ATOM 1006 O GLU A 66 1.673 -16.266 0.022 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.609 -17.279 -1.040 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.963 -16.735 -0.582 1.00 0.00 C ATOM 1009 CD GLU A 66 -3.043 -17.795 -0.806 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -3.424 -17.993 -1.948 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.471 -18.390 0.169 1.00 0.00 O ATOM 0 H GLU A 66 0.063 -16.390 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.453 -15.290 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.752 -18.157 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.023 -17.598 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.919 -16.463 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.208 -15.828 -1.135 1.00 0.00 H new ATOM 1018 N PRO A 67 2.196 -14.951 -1.698 1.00 0.00 N ATOM 1019 CA PRO A 67 3.465 -14.493 -1.108 1.00 0.00 C ATOM 1020 C PRO A 67 3.248 -13.232 -0.257 1.00 0.00 C ATOM 1021 O PRO A 67 3.572 -12.135 -0.666 1.00 0.00 O ATOM 1022 CB PRO A 67 4.316 -14.188 -2.340 1.00 0.00 C ATOM 1023 CG PRO A 67 3.346 -13.902 -3.454 1.00 0.00 C ATOM 1024 CD PRO A 67 1.971 -14.338 -3.007 1.00 0.00 C ATOM 0 HA PRO A 67 3.923 -15.221 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.968 -13.333 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.958 -15.033 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.348 -12.839 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.638 -14.435 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.288 -13.492 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.531 -15.047 -3.708 1.00 0.00 H new ATOM 1032 N SER A 68 2.703 -13.380 0.923 1.00 0.00 N ATOM 1033 CA SER A 68 2.468 -12.188 1.799 1.00 0.00 C ATOM 1034 C SER A 68 3.347 -12.270 3.053 1.00 0.00 C ATOM 1035 O SER A 68 3.419 -11.342 3.836 1.00 0.00 O ATOM 1036 CB SER A 68 0.989 -12.261 2.185 1.00 0.00 C ATOM 1037 OG SER A 68 0.458 -13.522 1.794 1.00 0.00 O ATOM 0 H SER A 68 2.410 -14.273 1.319 1.00 0.00 H new ATOM 0 HA SER A 68 2.714 -11.254 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.876 -12.124 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.436 -11.456 1.701 1.00 0.00 H new ATOM 0 HG SER A 68 -0.489 -13.570 2.043 1.00 0.00 H new ATOM 1043 N TYR A 69 4.018 -13.382 3.231 1.00 0.00 N ATOM 1044 CA TYR A 69 4.906 -13.587 4.417 1.00 0.00 C ATOM 1045 C TYR A 69 4.201 -13.148 5.710 1.00 0.00 C ATOM 1046 O TYR A 69 3.116 -12.597 5.682 1.00 0.00 O ATOM 1047 CB TYR A 69 6.210 -12.791 4.177 1.00 0.00 C ATOM 1048 CG TYR A 69 6.050 -11.703 3.133 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.788 -12.023 1.793 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.181 -10.366 3.515 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.652 -10.998 0.843 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.050 -9.345 2.569 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.785 -9.660 1.233 1.00 0.00 C ATOM 1054 OH TYR A 69 5.662 -8.654 0.298 1.00 0.00 O ATOM 0 H TYR A 69 3.986 -14.174 2.589 1.00 0.00 H new ATOM 0 HA TYR A 69 5.142 -14.644 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.535 -12.342 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.997 -13.477 3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.691 -13.056 1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.385 -10.120 4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.445 -11.242 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.154 -8.313 2.870 1.00 0.00 H new ATOM 0 HH TYR A 69 5.485 -9.046 -0.583 1.00 0.00 H new ATOM 1064 N PRO A 70 4.837 -13.435 6.814 1.00 0.00 N ATOM 1065 CA PRO A 70 4.259 -13.089 8.137 1.00 0.00 C ATOM 1066 C PRO A 70 4.282 -11.575 8.377 1.00 0.00 C ATOM 1067 O PRO A 70 3.878 -11.093 9.405 1.00 0.00 O ATOM 1068 CB PRO A 70 5.160 -13.821 9.124 1.00 0.00 C ATOM 1069 CG PRO A 70 6.459 -13.994 8.405 1.00 0.00 C ATOM 1070 CD PRO A 70 6.136 -14.107 6.939 1.00 0.00 C ATOM 0 HA PRO A 70 3.212 -13.377 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.290 -13.247 10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.735 -14.784 9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.119 -13.147 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.979 -14.886 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.896 -13.626 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.080 -15.148 6.621 1.00 0.00 H new ATOM 1078 N VAL A 71 4.728 -10.806 7.443 1.00 0.00 N ATOM 1079 CA VAL A 71 4.724 -9.342 7.671 1.00 0.00 C ATOM 1080 C VAL A 71 3.368 -8.782 7.255 1.00 0.00 C ATOM 1081 O VAL A 71 2.616 -8.266 8.057 1.00 0.00 O ATOM 1082 CB VAL A 71 5.809 -8.806 6.765 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.798 -7.277 6.795 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.171 -9.321 7.227 1.00 0.00 C ATOM 0 H VAL A 71 5.092 -11.116 6.542 1.00 0.00 H new ATOM 0 HA VAL A 71 4.895 -9.072 8.713 1.00 0.00 H new ATOM 0 HB VAL A 71 5.625 -9.147 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.581 -6.895 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.829 -6.913 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.975 -6.932 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.949 -8.932 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.358 -8.989 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.179 -10.410 7.192 1.00 0.00 H new ATOM 1094 N ALA A 72 3.053 -8.902 5.997 1.00 0.00 N ATOM 1095 CA ALA A 72 1.749 -8.406 5.494 1.00 0.00 C ATOM 1096 C ALA A 72 0.618 -8.989 6.326 1.00 0.00 C ATOM 1097 O ALA A 72 -0.240 -8.279 6.812 1.00 0.00 O ATOM 1098 CB ALA A 72 1.663 -8.937 4.071 1.00 0.00 C ATOM 0 H ALA A 72 3.652 -9.328 5.290 1.00 0.00 H new ATOM 0 HA ALA A 72 1.669 -7.320 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.724 -8.616 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.498 -8.550 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.705 -10.026 4.086 1.00 0.00 H new ATOM 1104 N ASP A 73 0.606 -10.281 6.495 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.477 -10.891 7.297 1.00 0.00 C ATOM 1106 C ASP A 73 -0.534 -10.216 8.663 1.00 0.00 C ATOM 1107 O ASP A 73 -1.563 -9.730 9.088 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.097 -12.357 7.438 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.730 -13.165 6.302 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.857 -12.624 5.216 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.077 -14.311 6.538 1.00 0.00 O ATOM 0 H ASP A 73 1.294 -10.931 6.115 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.457 -10.778 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.987 -12.466 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.435 -12.739 8.401 1.00 0.00 H new ATOM 1116 N ILE A 74 0.577 -10.161 9.343 1.00 0.00 N ATOM 1117 CA ILE A 74 0.589 -9.489 10.672 1.00 0.00 C ATOM 1118 C ILE A 74 0.074 -8.070 10.472 1.00 0.00 C ATOM 1119 O ILE A 74 -0.745 -7.569 11.218 1.00 0.00 O ATOM 1120 CB ILE A 74 2.056 -9.493 11.125 1.00 0.00 C ATOM 1121 CG1 ILE A 74 2.316 -10.732 11.987 1.00 0.00 C ATOM 1122 CG2 ILE A 74 2.357 -8.237 11.954 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.385 -11.978 11.101 1.00 0.00 C ATOM 0 H ILE A 74 1.470 -10.549 9.039 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.036 -9.979 11.419 1.00 0.00 H new ATOM 0 HB ILE A 74 2.698 -9.506 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.250 -10.614 12.537 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.523 -10.844 12.726 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.400 -8.251 12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.173 -7.349 11.349 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.712 -8.218 12.833 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.570 -12.855 11.721 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.440 -12.101 10.571 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.194 -11.867 10.379 1.00 0.00 H new ATOM 1135 N LEU A 75 0.542 -7.437 9.438 1.00 0.00 N ATOM 1136 CA LEU A 75 0.089 -6.064 9.123 1.00 0.00 C ATOM 1137 C LEU A 75 -1.441 -6.053 9.032 1.00 0.00 C ATOM 1138 O LEU A 75 -2.075 -5.019 9.106 1.00 0.00 O ATOM 1139 CB LEU A 75 0.734 -5.767 7.767 1.00 0.00 C ATOM 1140 CG LEU A 75 1.048 -4.277 7.659 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.164 -3.919 8.640 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.504 -3.965 6.234 1.00 0.00 C ATOM 0 H LEU A 75 1.229 -7.821 8.790 1.00 0.00 H new ATOM 0 HA LEU A 75 0.366 -5.321 9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.648 -6.350 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.063 -6.066 6.962 1.00 0.00 H new ATOM 0 HG LEU A 75 0.158 -3.695 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.389 -2.855 8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.843 -4.150 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.057 -4.496 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.730 -2.902 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.397 -4.546 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.711 -4.224 5.533 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.032 -7.210 8.870 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.510 -7.301 8.773 1.00 0.00 C ATOM 1156 C ALA A 76 -4.130 -7.599 10.145 1.00 0.00 C ATOM 1157 O ALA A 76 -4.919 -6.830 10.655 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.758 -8.458 7.808 1.00 0.00 C ATOM 0 H ALA A 76 -1.543 -8.102 8.801 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.960 -6.369 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.831 -8.598 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.300 -8.233 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.320 -9.370 8.213 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.789 -8.713 10.746 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.376 -9.047 12.080 1.00 0.00 C ATOM 1166 C GLU A 77 -4.398 -7.796 12.970 1.00 0.00 C ATOM 1167 O GLU A 77 -5.294 -7.601 13.766 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.471 -10.147 12.665 1.00 0.00 C ATOM 1169 CG GLU A 77 -2.332 -9.532 13.488 1.00 0.00 C ATOM 1170 CD GLU A 77 -1.545 -10.642 14.188 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.172 -11.502 14.784 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -0.327 -10.611 14.119 1.00 0.00 O ATOM 0 H GLU A 77 -3.134 -9.401 10.373 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.407 -9.393 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.061 -10.814 13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.058 -10.752 11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.671 -8.957 12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.736 -8.839 14.226 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.423 -6.942 12.820 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.380 -5.695 13.627 1.00 0.00 C ATOM 1181 C ARG A 78 -3.137 -4.509 12.693 1.00 0.00 C ATOM 1182 O ARG A 78 -2.258 -3.700 12.909 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.208 -5.878 14.592 1.00 0.00 C ATOM 1184 CG ARG A 78 -0.891 -5.875 13.810 1.00 0.00 C ATOM 1185 CD ARG A 78 0.036 -4.796 14.374 1.00 0.00 C ATOM 1186 NE ARG A 78 0.562 -5.369 15.643 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.024 -4.580 16.575 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.313 -3.565 16.985 1.00 0.00 N ATOM 1189 NH2 ARG A 78 2.198 -4.807 17.098 1.00 0.00 N ATOM 0 H ARG A 78 -2.649 -7.058 12.166 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.307 -5.505 14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.205 -5.077 15.332 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.316 -6.815 15.137 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.413 -6.852 13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.084 -5.688 12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.844 -4.567 13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.503 -3.866 14.554 1.00 0.00 H new ATOM 0 HE ARG A 78 0.562 -6.379 15.785 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.605 -3.387 16.577 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.675 -2.950 17.713 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.754 -5.600 16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.560 -4.191 17.826 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.900 -4.424 11.638 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.712 -3.320 10.658 1.00 0.00 C ATOM 1205 C ASN A 79 -4.031 -1.955 11.273 1.00 0.00 C ATOM 1206 O ASN A 79 -5.107 -1.715 11.784 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.681 -3.629 9.517 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.063 -3.929 10.093 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.720 -3.047 10.605 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.534 -5.143 10.033 1.00 0.00 N ATOM 0 H ASN A 79 -4.650 -5.077 11.412 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.676 -3.264 10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.736 -2.782 8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.322 -4.482 8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.456 -5.352 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.981 -5.884 9.602 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.095 -1.057 11.188 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.293 0.322 11.716 1.00 0.00 C ATOM 1219 C VAL A 80 -3.719 1.204 10.525 1.00 0.00 C ATOM 1220 O VAL A 80 -4.293 0.677 9.592 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.914 0.686 12.271 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.389 -0.469 13.130 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.944 0.927 11.109 1.00 0.00 C ATOM 0 H VAL A 80 -2.181 -1.222 10.766 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.056 0.439 12.486 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.995 1.589 12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.407 -0.211 13.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.077 -0.650 13.956 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.309 -1.369 12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.039 1.186 11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.866 0.022 10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.314 1.744 10.490 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.437 2.496 10.527 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.839 3.302 9.350 1.00 0.00 C ATOM 1235 C PRO A 81 -2.997 2.850 8.158 1.00 0.00 C ATOM 1236 O PRO A 81 -1.786 2.815 8.231 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.546 4.740 9.762 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.507 4.629 10.824 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.751 3.323 11.540 1.00 0.00 C ATOM 0 HA PRO A 81 -4.884 3.195 9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.187 5.328 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.442 5.235 10.136 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.507 4.651 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.572 5.468 11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.818 2.864 11.867 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.367 3.462 12.429 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.623 2.467 7.077 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.847 1.971 5.905 1.00 0.00 C ATOM 1249 C PHE A 82 -3.780 1.595 4.758 1.00 0.00 C ATOM 1250 O PHE A 82 -4.814 2.196 4.548 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.116 0.723 6.427 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.059 -0.467 6.464 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.415 -0.293 6.784 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.572 -1.748 6.179 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.275 -1.395 6.818 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.436 -2.850 6.213 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.786 -2.674 6.531 1.00 0.00 C ATOM 0 H PHE A 82 -4.636 2.476 6.956 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.164 2.726 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.263 0.499 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.723 0.915 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.794 0.694 7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.530 -1.887 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.317 -1.259 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.059 -3.838 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.451 -3.525 6.555 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.404 0.597 4.019 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.232 0.144 2.875 1.00 0.00 C ATOM 1269 C ILE A 83 -3.639 -1.157 2.348 1.00 0.00 C ATOM 1270 O ILE A 83 -2.483 -1.457 2.596 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.140 1.285 1.859 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.511 1.943 1.706 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.667 0.784 0.487 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.447 3.379 2.231 1.00 0.00 C ATOM 0 H ILE A 83 -2.544 0.067 4.161 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.274 -0.060 3.121 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.411 2.005 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.813 1.940 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.262 1.376 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.614 1.622 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.680 0.331 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.370 0.043 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.424 3.850 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.164 3.369 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.708 3.942 1.661 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.419 -1.930 1.648 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.912 -3.225 1.125 1.00 0.00 C ATOM 1288 C PHE A 84 -4.720 -3.650 -0.110 1.00 0.00 C ATOM 1289 O PHE A 84 -5.840 -3.202 -0.339 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.139 -4.177 2.294 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.083 -5.264 2.320 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.270 -6.440 1.582 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.926 -5.105 3.100 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.302 -7.454 1.618 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.959 -6.121 3.135 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.149 -7.294 2.394 1.00 0.00 C ATOM 0 H PHE A 84 -5.389 -1.719 1.415 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.871 -3.195 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.117 -3.620 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.128 -4.628 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.161 -6.566 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.781 -4.201 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.447 -8.359 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.068 -5.998 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.405 -8.076 2.422 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.177 -4.502 -0.924 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.947 -4.907 -2.120 1.00 0.00 C ATOM 1308 C ALA A 85 -4.516 -6.276 -2.650 1.00 0.00 C ATOM 1309 O ALA A 85 -3.416 -6.454 -3.123 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.666 -3.819 -3.155 1.00 0.00 C ATOM 0 H ALA A 85 -3.256 -4.926 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.008 -5.005 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.203 -4.046 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.998 -2.855 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.596 -3.779 -3.359 1.00 0.00 H new ATOM 1316 N THR A 86 -5.397 -7.236 -2.587 1.00 0.00 N ATOM 1317 CA THR A 86 -5.074 -8.603 -3.094 1.00 0.00 C ATOM 1318 C THR A 86 -6.356 -9.271 -3.620 1.00 0.00 C ATOM 1319 O THR A 86 -7.348 -8.609 -3.832 1.00 0.00 O ATOM 1320 CB THR A 86 -4.507 -9.362 -1.888 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.700 -10.755 -2.081 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.211 -8.917 -0.599 1.00 0.00 C ATOM 0 H THR A 86 -6.336 -7.132 -2.203 1.00 0.00 H new ATOM 0 HA THR A 86 -4.360 -8.589 -3.917 1.00 0.00 H new ATOM 0 HB THR A 86 -3.443 -9.145 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.556 -11.024 -1.687 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.798 -9.464 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.057 -7.848 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.279 -9.122 -0.678 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.328 -10.569 -3.836 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.527 -11.312 -4.362 1.00 0.00 C ATOM 1332 C GLY A 87 -8.835 -10.585 -4.029 1.00 0.00 C ATOM 1333 O GLY A 87 -9.408 -9.905 -4.855 1.00 0.00 O ATOM 0 H GLY A 87 -5.511 -11.156 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.439 -11.426 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.549 -12.315 -3.936 1.00 0.00 H new ATOM 1337 N TYR A 88 -9.317 -10.730 -2.832 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.586 -10.048 -2.456 1.00 0.00 C ATOM 1339 C TYR A 88 -10.369 -8.534 -2.451 1.00 0.00 C ATOM 1340 O TYR A 88 -11.293 -7.756 -2.581 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.898 -10.576 -1.048 1.00 0.00 C ATOM 1342 CG TYR A 88 -11.724 -9.573 -0.265 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -12.773 -8.884 -0.884 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -11.440 -9.340 1.086 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -13.537 -7.964 -0.155 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -12.202 -8.420 1.816 1.00 0.00 C ATOM 1347 CZ TYR A 88 -13.251 -7.732 1.196 1.00 0.00 C ATOM 1348 OH TYR A 88 -14.004 -6.827 1.916 1.00 0.00 O ATOM 0 H TYR A 88 -8.889 -11.291 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 88 -11.406 -10.243 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.438 -11.520 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.968 -10.781 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.994 -9.062 -1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.631 -9.871 1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -14.346 -7.434 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.980 -8.241 2.858 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.842 -6.955 2.874 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.151 -8.108 -2.294 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.883 -6.650 -2.262 1.00 0.00 C ATOM 1360 C GLY A 89 -8.854 -6.206 -0.804 1.00 0.00 C ATOM 1361 O GLY A 89 -8.432 -5.113 -0.480 1.00 0.00 O ATOM 0 H GLY A 89 -8.331 -8.706 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.933 -6.427 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.655 -6.109 -2.809 1.00 0.00 H new ATOM 1365 N SER A 90 -9.306 -7.056 0.081 1.00 0.00 N ATOM 1366 CA SER A 90 -9.316 -6.699 1.522 1.00 0.00 C ATOM 1367 C SER A 90 -9.329 -7.963 2.386 1.00 0.00 C ATOM 1368 O SER A 90 -8.830 -8.998 1.995 1.00 0.00 O ATOM 1369 CB SER A 90 -10.596 -5.884 1.699 1.00 0.00 C ATOM 1370 OG SER A 90 -10.981 -5.854 3.065 1.00 0.00 O ATOM 0 H SER A 90 -9.669 -7.984 -0.137 1.00 0.00 H new ATOM 0 HA SER A 90 -8.432 -6.139 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.440 -4.868 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.396 -6.317 1.099 1.00 0.00 H new ATOM 0 HG SER A 90 -11.788 -6.396 3.189 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.893 -7.875 3.558 1.00 0.00 N ATOM 1377 CA LYS A 91 -9.954 -9.046 4.471 1.00 0.00 C ATOM 1378 C LYS A 91 -10.530 -8.601 5.815 1.00 0.00 C ATOM 1379 O LYS A 91 -10.100 -9.038 6.863 1.00 0.00 O ATOM 1380 CB LYS A 91 -8.505 -9.510 4.638 1.00 0.00 C ATOM 1381 CG LYS A 91 -7.633 -8.324 5.051 1.00 0.00 C ATOM 1382 CD LYS A 91 -7.041 -8.590 6.434 1.00 0.00 C ATOM 1383 CE LYS A 91 -6.542 -7.278 7.040 1.00 0.00 C ATOM 1384 NZ LYS A 91 -5.762 -6.626 5.951 1.00 0.00 N ATOM 0 H LYS A 91 -10.321 -7.026 3.926 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.585 -9.847 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.448 -10.296 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.139 -9.936 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.835 -8.174 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.226 -7.410 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.793 -9.039 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.220 -9.303 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.373 -6.650 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.921 -7.459 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.144 -5.895 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.182 -7.339 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.415 -6.189 5.270 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.494 -7.718 5.793 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.084 -7.232 7.071 1.00 0.00 C ATOM 1400 C GLY A 92 -11.119 -6.232 7.712 1.00 0.00 C ATOM 1401 O GLY A 92 -11.225 -5.908 8.878 1.00 0.00 O ATOM 0 H GLY A 92 -11.896 -7.315 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.049 -6.760 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.263 -8.069 7.746 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.161 -5.758 6.956 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.165 -4.796 7.516 1.00 0.00 C ATOM 1407 C LEU A 93 -9.848 -3.562 8.116 1.00 0.00 C ATOM 1408 O LEU A 93 -10.790 -3.027 7.579 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.218 -4.439 6.346 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.770 -3.324 5.429 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -10.178 -3.664 4.934 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.786 -1.982 6.168 1.00 0.00 C ATOM 0 H LEU A 93 -10.026 -5.997 5.974 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.606 -5.234 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.256 -4.124 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.036 -5.333 5.750 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.111 -3.246 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.541 -2.862 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.150 -4.597 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.847 -3.776 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.177 -1.208 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.420 -2.061 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.772 -1.722 6.471 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.357 -3.109 9.234 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.940 -1.903 9.890 1.00 0.00 C ATOM 1426 C ASP A 94 -8.947 -0.747 9.789 1.00 0.00 C ATOM 1427 O ASP A 94 -7.751 -0.957 9.758 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.164 -2.309 11.348 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.936 -3.059 11.871 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.670 -4.141 11.374 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.280 -2.536 12.757 1.00 0.00 O ATOM 0 H ASP A 94 -8.568 -3.526 9.728 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.869 -1.574 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.348 -1.424 11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.049 -2.941 11.428 1.00 0.00 H new ATOM 1436 N THR A 95 -9.418 0.468 9.737 1.00 0.00 N ATOM 1437 CA THR A 95 -8.467 1.609 9.632 1.00 0.00 C ATOM 1438 C THR A 95 -9.202 2.947 9.583 1.00 0.00 C ATOM 1439 O THR A 95 -10.405 3.008 9.421 1.00 0.00 O ATOM 1440 CB THR A 95 -7.738 1.377 8.308 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.813 2.425 8.092 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.749 1.335 7.160 1.00 0.00 C ATOM 0 H THR A 95 -10.407 0.718 9.762 1.00 0.00 H new ATOM 0 HA THR A 95 -7.799 1.653 10.492 1.00 0.00 H new ATOM 0 HB THR A 95 -7.207 0.426 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.912 2.052 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.224 1.170 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.457 0.524 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.287 2.282 7.114 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.471 4.023 9.694 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.103 5.367 9.622 1.00 0.00 C ATOM 1452 C ARG A 96 -9.499 5.652 8.175 1.00 0.00 C ATOM 1453 O ARG A 96 -10.091 6.668 7.867 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.011 6.351 10.051 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.835 6.317 11.571 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.793 7.362 11.979 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.071 7.650 13.413 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.638 8.759 13.951 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.498 9.269 13.572 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.348 9.358 14.869 1.00 0.00 N ATOM 0 H ARG A 96 -7.460 4.027 9.832 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.992 5.442 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.070 6.097 9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.274 7.359 9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.785 6.521 12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.517 5.325 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.780 6.983 11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.880 8.263 11.372 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.599 6.982 13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.944 8.802 12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.162 10.135 13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.239 8.960 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.011 10.224 15.290 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.147 4.770 7.279 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.469 5.000 5.846 1.00 0.00 C ATOM 1476 C TYR A 97 -10.922 4.633 5.538 1.00 0.00 C ATOM 1477 O TYR A 97 -11.340 4.655 4.402 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.496 4.105 5.081 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.142 4.775 5.049 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.991 6.000 4.390 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.044 4.184 5.688 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.745 6.634 4.367 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.797 4.823 5.665 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.649 6.047 5.004 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.422 6.675 4.982 1.00 0.00 O ATOM 0 H TYR A 97 -8.651 3.902 7.479 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.366 6.048 5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.423 3.129 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.857 3.935 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.838 6.456 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.158 3.238 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.630 7.579 3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.950 4.370 6.158 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.769 6.134 5.472 1.00 0.00 H new ATOM 1495 N SER A 98 -11.698 4.308 6.538 1.00 0.00 N ATOM 1496 CA SER A 98 -13.128 3.956 6.303 1.00 0.00 C ATOM 1497 C SER A 98 -13.244 2.582 5.630 1.00 0.00 C ATOM 1498 O SER A 98 -14.297 2.197 5.162 1.00 0.00 O ATOM 1499 CB SER A 98 -13.689 5.072 5.419 1.00 0.00 C ATOM 1500 OG SER A 98 -14.730 5.738 6.123 1.00 0.00 O ATOM 0 H SER A 98 -11.400 4.271 7.513 1.00 0.00 H new ATOM 0 HA SER A 98 -13.689 3.880 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.900 5.777 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.070 4.658 4.486 1.00 0.00 H new ATOM 0 HG SER A 98 -15.298 6.221 5.487 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.180 1.819 5.629 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.237 0.446 5.048 1.00 0.00 C ATOM 1508 C ASN A 99 -12.712 0.453 3.593 1.00 0.00 C ATOM 1509 O ASN A 99 -13.139 -0.557 3.072 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.251 -0.277 5.932 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.687 -0.414 7.343 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.502 -1.507 7.833 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.421 0.660 8.032 1.00 0.00 N ATOM 0 H ASN A 99 -11.272 2.090 6.007 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.255 -0.027 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.189 0.277 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.472 -1.261 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.058 0.580 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.576 1.581 7.621 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.648 1.569 2.929 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.118 1.585 1.498 1.00 0.00 C ATOM 1522 C ILE A 100 -11.957 1.505 0.467 1.00 0.00 C ATOM 1523 O ILE A 100 -12.196 1.119 -0.659 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.977 2.860 1.302 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.133 4.035 0.775 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.655 3.256 2.617 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.423 4.736 1.931 1.00 0.00 C ATOM 0 H ILE A 100 -12.301 2.456 3.293 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.711 0.690 1.309 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.740 2.630 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.400 3.671 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.772 4.744 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.254 4.153 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.299 2.443 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.895 3.454 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.830 5.565 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.163 5.117 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.769 4.028 2.439 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.740 1.847 0.852 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.606 1.761 -0.106 1.00 0.00 C ATOM 1541 C PRO A 101 -9.062 0.332 -0.112 1.00 0.00 C ATOM 1542 O PRO A 101 -8.087 0.027 0.546 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.571 2.708 0.474 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.862 2.772 1.941 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.292 2.328 2.163 1.00 0.00 C ATOM 0 HA PRO A 101 -9.881 2.014 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.560 2.344 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.643 3.695 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.175 2.130 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.718 3.786 2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.350 1.541 2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.912 3.152 2.516 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.692 -0.548 -0.830 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.219 -1.964 -0.858 1.00 0.00 C ATOM 1555 C LEU A 102 -9.477 -2.577 -2.232 1.00 0.00 C ATOM 1556 O LEU A 102 -10.492 -2.317 -2.846 1.00 0.00 O ATOM 1557 CB LEU A 102 -10.051 -2.674 0.214 1.00 0.00 C ATOM 1558 CG LEU A 102 -11.477 -2.918 -0.306 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -12.279 -3.723 0.717 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -12.179 -1.580 -0.534 1.00 0.00 C ATOM 0 H LEU A 102 -10.515 -0.353 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.149 -2.050 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.584 -3.623 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.084 -2.070 1.121 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.415 -3.472 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.287 -3.890 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.792 -4.683 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.330 -3.171 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.189 -1.757 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.227 -1.029 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.622 -0.997 -1.268 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.574 -3.383 -2.734 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.818 -3.979 -4.090 1.00 0.00 C ATOM 1574 C LEU A 103 -7.696 -4.944 -4.499 1.00 0.00 C ATOM 1575 O LEU A 103 -6.750 -5.138 -3.786 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.824 -2.772 -5.024 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.409 -2.201 -5.088 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -6.661 -2.834 -6.257 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.470 -0.689 -5.282 1.00 0.00 C ATOM 0 H LEU A 103 -7.700 -3.651 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.740 -4.559 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.160 -3.065 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.521 -2.016 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.888 -2.422 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.651 -2.428 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.612 -3.914 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.185 -2.613 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.458 -0.287 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.992 -0.462 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.004 -0.236 -4.446 1.00 0.00 H new ATOM 1591 N THR A 104 -7.788 -5.541 -5.658 1.00 0.00 N ATOM 1592 CA THR A 104 -6.709 -6.469 -6.099 1.00 0.00 C ATOM 1593 C THR A 104 -5.729 -5.728 -7.007 1.00 0.00 C ATOM 1594 O THR A 104 -4.767 -5.145 -6.554 1.00 0.00 O ATOM 1595 CB THR A 104 -7.407 -7.584 -6.889 1.00 0.00 C ATOM 1596 OG1 THR A 104 -8.030 -8.488 -5.996 1.00 0.00 O ATOM 1597 CG2 THR A 104 -6.375 -8.331 -7.738 1.00 0.00 C ATOM 0 H THR A 104 -8.560 -5.426 -6.315 1.00 0.00 H new ATOM 0 HA THR A 104 -6.149 -6.866 -5.252 1.00 0.00 H new ATOM 0 HB THR A 104 -8.164 -7.144 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.794 -8.253 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 104 -6.870 -9.123 -8.299 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.903 -7.636 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.616 -8.767 -7.088 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.965 -5.750 -8.288 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.040 -5.058 -9.220 1.00 0.00 C ATOM 1607 C LYS A 105 -5.617 -5.051 -10.631 1.00 0.00 C ATOM 1608 O LYS A 105 -4.936 -5.388 -11.580 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.765 -5.887 -9.177 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.690 -5.128 -8.399 1.00 0.00 C ATOM 1611 CD LYS A 105 -2.189 -5.983 -7.228 1.00 0.00 C ATOM 1612 CE LYS A 105 -1.811 -7.387 -7.720 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.737 -7.171 -8.727 1.00 0.00 N ATOM 0 H LYS A 105 -6.758 -6.217 -8.728 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.871 -4.018 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.960 -6.849 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.419 -6.094 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.859 -4.878 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.095 -4.187 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.325 -5.507 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.962 -6.054 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.460 -8.011 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.669 -7.894 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.080 -7.454 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.473 -6.165 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.095 -7.743 -8.476 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.849 -4.640 -10.731 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.499 -4.564 -12.054 1.00 0.00 C ATOM 1629 C PRO A 106 -6.802 -3.467 -12.860 1.00 0.00 C ATOM 1630 O PRO A 106 -6.964 -3.351 -14.058 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.945 -4.203 -11.723 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.873 -3.541 -10.385 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.741 -4.206 -9.650 1.00 0.00 C ATOM 0 HA PRO A 106 -7.447 -5.477 -12.647 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.368 -3.535 -12.473 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.578 -5.090 -11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.695 -2.471 -10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.811 -3.657 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.243 -3.516 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.089 -5.048 -9.052 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.004 -2.675 -12.190 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.257 -1.586 -12.875 1.00 0.00 C ATOM 1643 C PHE A 107 -6.198 -0.694 -13.689 1.00 0.00 C ATOM 1644 O PHE A 107 -6.321 -0.811 -14.893 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.231 -2.302 -13.754 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.951 -2.465 -12.960 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.007 -2.593 -11.564 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.712 -2.477 -13.611 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.828 -2.731 -10.823 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.532 -2.617 -12.869 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.589 -2.743 -11.474 1.00 0.00 C ATOM 0 H PHE A 107 -5.839 -2.740 -11.186 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.771 -0.912 -12.170 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.611 -3.275 -14.064 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.044 -1.729 -14.662 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.962 -2.585 -11.060 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.666 -2.378 -14.685 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.874 -2.828 -9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.423 -2.628 -13.373 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.321 -2.849 -10.903 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.838 0.213 -13.010 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.773 1.179 -13.660 1.00 0.00 C ATOM 1663 C LEU A 108 -8.131 2.243 -12.620 1.00 0.00 C ATOM 1664 O LEU A 108 -8.218 3.419 -12.908 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.022 0.389 -14.104 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.266 -0.837 -13.216 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -10.000 -0.415 -11.945 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.130 -1.840 -13.985 1.00 0.00 C ATOM 0 H LEU A 108 -6.751 0.331 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.334 1.667 -14.530 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.895 1.041 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.901 0.070 -15.139 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.312 -1.290 -12.948 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.172 -1.289 -11.317 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.396 0.311 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.957 0.035 -12.210 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.310 -2.717 -13.363 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.082 -1.377 -14.244 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.614 -2.142 -14.896 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.302 1.818 -11.398 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.617 2.759 -10.288 1.00 0.00 C ATOM 1682 C ASP A 109 -7.932 2.265 -9.005 1.00 0.00 C ATOM 1683 O ASP A 109 -8.202 2.740 -7.922 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.141 2.726 -10.139 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.596 1.323 -9.728 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -9.742 0.502 -9.442 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.795 1.095 -9.703 1.00 0.00 O ATOM 0 H ASP A 109 -8.235 0.839 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.266 3.773 -10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.458 3.454 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.613 3.009 -11.080 1.00 0.00 H new ATOM 1692 N SER A 110 -7.063 1.290 -9.129 1.00 0.00 N ATOM 1693 CA SER A 110 -6.370 0.725 -7.936 1.00 0.00 C ATOM 1694 C SER A 110 -5.723 1.826 -7.081 1.00 0.00 C ATOM 1695 O SER A 110 -6.411 2.588 -6.431 1.00 0.00 O ATOM 1696 CB SER A 110 -5.314 -0.220 -8.512 1.00 0.00 C ATOM 1697 OG SER A 110 -5.952 -1.201 -9.319 1.00 0.00 O ATOM 0 H SER A 110 -6.804 0.860 -10.017 1.00 0.00 H new ATOM 0 HA SER A 110 -7.064 0.212 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.592 0.341 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.760 -0.700 -7.705 1.00 0.00 H new ATOM 0 HG SER A 110 -5.870 -0.951 -10.263 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.406 1.900 -7.062 1.00 0.00 N ATOM 1704 CA GLU A 111 -3.711 2.940 -6.235 1.00 0.00 C ATOM 1705 C GLU A 111 -4.533 4.227 -6.205 1.00 0.00 C ATOM 1706 O GLU A 111 -4.728 4.834 -5.169 1.00 0.00 O ATOM 1707 CB GLU A 111 -2.370 3.177 -6.936 1.00 0.00 C ATOM 1708 CG GLU A 111 -1.233 2.651 -6.057 1.00 0.00 C ATOM 1709 CD GLU A 111 -0.188 3.750 -5.850 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -0.476 4.888 -6.185 1.00 0.00 O ATOM 1711 OE2 GLU A 111 0.883 3.436 -5.358 1.00 0.00 O ATOM 0 H GLU A 111 -3.785 1.283 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.579 2.622 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.359 2.673 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.232 4.241 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.626 2.324 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.772 1.781 -6.525 1.00 0.00 H new ATOM 1718 N LEU A 112 -5.031 4.634 -7.334 1.00 0.00 N ATOM 1719 CA LEU A 112 -5.864 5.877 -7.367 1.00 0.00 C ATOM 1720 C LEU A 112 -6.865 5.804 -6.219 1.00 0.00 C ATOM 1721 O LEU A 112 -6.879 6.638 -5.337 1.00 0.00 O ATOM 1722 CB LEU A 112 -6.615 5.904 -8.711 1.00 0.00 C ATOM 1723 CG LEU A 112 -5.823 5.186 -9.802 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -6.501 5.410 -11.155 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -4.394 5.737 -9.855 1.00 0.00 C ATOM 0 H LEU A 112 -4.903 4.169 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.252 6.773 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.590 5.431 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.795 6.937 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.791 4.120 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.936 4.898 -11.934 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.516 5.015 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.534 6.477 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.834 5.221 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.423 6.804 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.907 5.578 -8.893 1.00 0.00 H new ATOM 1737 N GLU A 113 -7.683 4.785 -6.209 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.658 4.630 -5.099 1.00 0.00 C ATOM 1739 C GLU A 113 -7.941 4.849 -3.782 1.00 0.00 C ATOM 1740 O GLU A 113 -8.412 5.551 -2.916 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.153 3.190 -5.206 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.566 3.194 -5.788 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.011 1.759 -6.075 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -10.236 1.027 -6.669 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.120 1.418 -5.699 1.00 0.00 O ATOM 0 H GLU A 113 -7.716 4.056 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 113 -9.482 5.341 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -8.485 2.608 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.151 2.717 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.256 3.666 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.590 3.782 -6.705 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.789 4.265 -3.635 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.031 4.446 -2.364 1.00 0.00 C ATOM 1754 C ALA A 114 -6.107 5.906 -1.921 1.00 0.00 C ATOM 1755 O ALA A 114 -6.216 6.209 -0.749 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.592 4.059 -2.700 1.00 0.00 C ATOM 0 H ALA A 114 -6.339 3.673 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.430 3.841 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.969 4.166 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.564 3.024 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.215 4.710 -3.488 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.059 6.811 -2.855 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.137 8.257 -2.502 1.00 0.00 C ATOM 1764 C VAL A 115 -7.503 8.827 -2.898 1.00 0.00 C ATOM 1765 O VAL A 115 -7.954 9.819 -2.360 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.011 8.906 -3.304 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.880 10.381 -2.917 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.701 8.178 -2.993 1.00 0.00 C ATOM 0 H VAL A 115 -5.969 6.613 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.030 8.438 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.233 8.837 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.075 10.838 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.816 10.897 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.655 10.459 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.889 8.633 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.486 8.254 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.794 7.128 -3.270 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.163 8.203 -3.835 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.499 8.701 -4.273 1.00 0.00 C ATOM 1780 C LEU A 116 -10.608 8.087 -3.405 1.00 0.00 C ATOM 1781 O LEU A 116 -11.760 8.450 -3.507 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.629 8.233 -5.726 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.698 9.064 -6.436 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.179 9.523 -7.802 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.951 8.208 -6.628 1.00 0.00 C ATOM 0 H LEU A 116 -7.834 7.367 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.592 9.783 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.673 8.336 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.895 7.176 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.937 9.940 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.946 10.115 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.284 10.130 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.938 8.652 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.718 8.794 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.706 7.334 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.323 7.885 -5.656 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.260 7.152 -2.563 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.282 6.488 -1.685 1.00 0.00 C ATOM 1799 C VAL A 117 -11.811 7.440 -0.610 1.00 0.00 C ATOM 1800 O VAL A 117 -12.690 7.089 0.152 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.545 5.340 -0.996 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.302 4.201 -1.986 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -9.215 5.857 -0.441 1.00 0.00 C ATOM 0 H VAL A 117 -9.306 6.813 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.135 6.161 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.153 4.957 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.776 3.389 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.258 3.837 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.699 4.564 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.685 5.042 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.606 6.245 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.406 6.653 0.279 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.275 8.622 -0.508 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.753 9.551 0.561 1.00 0.00 C ATOM 1815 C GLN A 118 -13.050 10.266 0.162 1.00 0.00 C ATOM 1816 O GLN A 118 -13.356 11.334 0.655 1.00 0.00 O ATOM 1817 CB GLN A 118 -10.609 10.539 0.760 1.00 0.00 C ATOM 1818 CG GLN A 118 -9.564 9.891 1.670 1.00 0.00 C ATOM 1819 CD GLN A 118 -8.301 10.750 1.699 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -8.265 11.778 2.347 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.255 10.371 1.019 1.00 0.00 N ATOM 0 H GLN A 118 -10.535 8.986 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 118 -11.997 9.016 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.165 10.803 -0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.979 11.463 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.964 9.781 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -9.326 8.890 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.285 9.508 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.407 10.937 1.031 1.00 0.00 H new ATOM 1830 N ILE A 119 -13.828 9.674 -0.702 1.00 0.00 N ATOM 1831 CA ILE A 119 -15.119 10.301 -1.107 1.00 0.00 C ATOM 1832 C ILE A 119 -16.239 9.256 -1.051 1.00 0.00 C ATOM 1833 O ILE A 119 -17.388 9.549 -1.314 1.00 0.00 O ATOM 1834 CB ILE A 119 -14.909 10.783 -2.543 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -14.428 9.616 -3.409 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -13.859 11.896 -2.557 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -15.584 8.643 -3.659 1.00 0.00 C ATOM 0 H ILE A 119 -13.625 8.779 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.403 11.122 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.850 11.165 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -14.044 9.990 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.606 9.099 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.708 12.241 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.202 12.727 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.918 11.514 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -15.235 7.815 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.948 8.258 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -16.393 9.163 -4.173 1.00 0.00 H new ATOM 1849 N SER A 120 -15.910 8.035 -0.715 1.00 0.00 N ATOM 1850 CA SER A 120 -16.957 6.974 -0.649 1.00 0.00 C ATOM 1851 C SER A 120 -17.815 7.184 0.602 1.00 0.00 C ATOM 1852 O SER A 120 -18.438 8.216 0.753 1.00 0.00 O ATOM 1853 CB SER A 120 -16.179 5.659 -0.581 1.00 0.00 C ATOM 1854 OG SER A 120 -15.471 5.471 -1.798 1.00 0.00 O ATOM 0 H SER A 120 -14.965 7.728 -0.484 1.00 0.00 H new ATOM 0 HA SER A 120 -17.636 6.986 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.484 5.677 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.862 4.827 -0.412 1.00 0.00 H new ATOM 0 HG SER A 120 -14.969 4.630 -1.758 1.00 0.00 H new ATOM 1860 N LYS A 121 -17.857 6.224 1.500 1.00 0.00 N ATOM 1861 CA LYS A 121 -18.667 6.377 2.747 1.00 0.00 C ATOM 1862 C LYS A 121 -20.145 6.146 2.457 1.00 0.00 C ATOM 1863 O LYS A 121 -20.806 5.398 3.150 1.00 0.00 O ATOM 1864 CB LYS A 121 -18.415 7.806 3.242 1.00 0.00 C ATOM 1865 CG LYS A 121 -18.003 7.773 4.716 1.00 0.00 C ATOM 1866 CD LYS A 121 -17.125 8.987 5.028 1.00 0.00 C ATOM 1867 CE LYS A 121 -15.862 8.946 4.162 1.00 0.00 C ATOM 1868 NZ LYS A 121 -14.944 9.955 4.764 1.00 0.00 N ATOM 0 H LYS A 121 -17.360 5.337 1.418 1.00 0.00 H new ATOM 0 HA LYS A 121 -18.383 5.646 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -17.633 8.276 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -19.315 8.408 3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -18.888 7.778 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -17.460 6.853 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -17.678 9.907 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -16.854 8.990 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -15.413 7.953 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -16.088 9.189 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.056 9.983 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -15.394 10.892 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -14.740 9.694 5.750 1.00 0.00 H new ATOM 1882 N GLU A 122 -20.663 6.756 1.430 1.00 0.00 N ATOM 1883 CA GLU A 122 -22.094 6.540 1.082 1.00 0.00 C ATOM 1884 C GLU A 122 -22.384 5.051 1.203 1.00 0.00 C ATOM 1885 O GLU A 122 -23.440 4.639 1.636 1.00 0.00 O ATOM 1886 CB GLU A 122 -22.243 7.007 -0.375 1.00 0.00 C ATOM 1887 CG GLU A 122 -20.956 6.715 -1.159 1.00 0.00 C ATOM 1888 CD GLU A 122 -21.298 6.383 -2.613 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -22.284 5.698 -2.827 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -20.567 6.818 -3.487 1.00 0.00 O ATOM 0 H GLU A 122 -20.158 7.395 0.816 1.00 0.00 H new ATOM 0 HA GLU A 122 -22.783 7.081 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -23.086 6.499 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -22.460 8.075 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -20.292 7.579 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -20.422 5.882 -0.702 1.00 0.00 H new ATOM 1897 N VAL A 123 -21.411 4.250 0.849 1.00 0.00 N ATOM 1898 CA VAL A 123 -21.541 2.772 0.954 1.00 0.00 C ATOM 1899 C VAL A 123 -20.329 2.102 0.303 1.00 0.00 C ATOM 1900 O VAL A 123 -19.382 2.808 -0.005 1.00 0.00 O ATOM 1901 CB VAL A 123 -22.833 2.359 0.221 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -23.979 2.215 1.226 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -23.212 3.398 -0.845 1.00 0.00 C ATOM 0 H VAL A 123 -20.514 4.570 0.484 1.00 0.00 H new ATOM 0 HA VAL A 123 -21.586 2.462 1.998 1.00 0.00 H new ATOM 0 HB VAL A 123 -22.656 1.403 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -24.889 1.923 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -23.724 1.452 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -24.141 3.167 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -24.127 3.085 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -23.372 4.365 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -22.406 3.482 -1.574 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 2.790 -9.173 -9.336 1.00 0.00 CA HETATM 1915 BE BEF A 202 0.894 -8.786 -6.392 1.00 0.00 BE HETATM 1916 F1 BEF A 202 1.679 -8.842 -8.084 1.00 0.00 F HETATM 1917 F2 BEF A 202 -0.049 -8.910 -7.567 1.00 0.00 F HETATM 1918 F3 BEF A 202 1.876 -9.794 -6.573 1.00 0.00 F