USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 833 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 32 CYS SG : rot 178:sc= 0.995 USER MOD Set 1.2: A 35 CYS SG : rot 72:sc= -0.272 USER MOD Set 2.1: A 8 THR OG1 : rot 138:sc= 2.18 USER MOD Set 2.2: A 11 SER OG : rot 87:sc= 1.16 USER MOD Set 3.1: A 1 SER N :NH3+ -173:sc= -0.0088 (180deg=-0.0483) USER MOD Set 3.2: A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 1 SER OG : rot -62:sc= 1.15 USER MOD Single : A 6 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 0.245 (180deg=0.161) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 0.704 (180deg=0.357) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 121:sc= 0.00656 USER MOD Single : A 50 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0019) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0304) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 2.07 K(o=2.1,f=-9.4!) USER MOD Single : A 62 GLN : amide:sc=-0.00444 X(o=-0.0044,f=-0.03) USER MOD Single : A 63 ASN : amide:sc= 1.42 K(o=1.4,f=-5.9!) USER MOD Single : A 66 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.68 (180deg=0.637) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -63:sc= 1.06 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.07) USER MOD Single : A 83 ASN : amide:sc= 0.955 K(o=0.96,f=-0.25) USER MOD Single : A 89 THR OG1 : rot 27:sc= 0.977 USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.43 (180deg=1.18) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.048) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= -0.0696 (180deg=-0.932) USER MOD Single : A 106 ASN : amide:sc= 0.337 K(o=0.34,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.190 -0.406 -8.706 1.00 0.00 N ATOM 2 CA SER A 1 -15.180 0.528 -8.246 1.00 0.00 C ATOM 3 C SER A 1 -13.818 -0.137 -8.059 1.00 0.00 C ATOM 4 O SER A 1 -12.793 0.518 -8.225 1.00 0.00 O ATOM 5 CB SER A 1 -15.679 1.194 -6.963 1.00 0.00 C ATOM 6 OG SER A 1 -16.959 1.743 -7.217 1.00 0.00 O ATOM 0 H1 SER A 1 -17.064 0.111 -8.932 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.848 -0.896 -9.557 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.384 -1.104 -7.959 1.00 0.00 H new ATOM 0 HA SER A 1 -15.025 1.291 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.732 0.466 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.987 1.974 -6.646 1.00 0.00 H new ATOM 0 HG SER A 1 -16.889 2.426 -7.917 1.00 0.00 H new ATOM 12 N ASP A 2 -13.790 -1.439 -7.759 1.00 0.00 N ATOM 13 CA ASP A 2 -12.551 -2.199 -7.601 1.00 0.00 C ATOM 14 C ASP A 2 -11.946 -2.513 -8.978 1.00 0.00 C ATOM 15 O ASP A 2 -11.681 -3.665 -9.311 1.00 0.00 O ATOM 16 CB ASP A 2 -12.827 -3.468 -6.774 1.00 0.00 C ATOM 17 CG ASP A 2 -11.579 -4.313 -6.494 1.00 0.00 C ATOM 18 OD1 ASP A 2 -10.462 -3.756 -6.541 1.00 0.00 O ATOM 19 OD2 ASP A 2 -11.767 -5.517 -6.215 1.00 0.00 O ATOM 0 H ASP A 2 -14.632 -1.997 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.815 -1.607 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.279 -3.180 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.558 -4.081 -7.301 1.00 0.00 H new ATOM 24 N LYS A 3 -11.702 -1.477 -9.784 1.00 0.00 N ATOM 25 CA LYS A 3 -11.106 -1.587 -11.109 1.00 0.00 C ATOM 26 C LYS A 3 -9.591 -1.678 -10.917 1.00 0.00 C ATOM 27 O LYS A 3 -8.843 -0.824 -11.388 1.00 0.00 O ATOM 28 CB LYS A 3 -11.510 -0.362 -11.946 1.00 0.00 C ATOM 29 CG LYS A 3 -13.033 -0.219 -12.081 1.00 0.00 C ATOM 30 CD LYS A 3 -13.358 1.031 -12.908 1.00 0.00 C ATOM 31 CE LYS A 3 -14.867 1.230 -13.092 1.00 0.00 C ATOM 32 NZ LYS A 3 -15.547 1.515 -11.816 1.00 0.00 N ATOM 0 H LYS A 3 -11.921 -0.516 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.453 -2.472 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.103 0.539 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.066 -0.442 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.451 -1.104 -12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.491 -0.145 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.935 1.908 -12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.882 0.951 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.042 2.051 -13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.298 0.335 -13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.545 1.743 -11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.489 0.681 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.087 2.323 -11.350 1.00 0.00 H new ATOM 46 N ILE A 4 -9.154 -2.693 -10.167 1.00 0.00 N ATOM 47 CA ILE A 4 -7.768 -2.874 -9.773 1.00 0.00 C ATOM 48 C ILE A 4 -7.183 -4.140 -10.386 1.00 0.00 C ATOM 49 O ILE A 4 -7.852 -5.169 -10.460 1.00 0.00 O ATOM 50 CB ILE A 4 -7.683 -2.914 -8.237 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.229 -1.595 -7.658 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.244 -3.158 -7.768 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.993 -1.430 -6.157 1.00 0.00 C ATOM 0 H ILE A 4 -9.772 -3.423 -9.813 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.178 -2.036 -10.144 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.290 -3.744 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.764 -0.760 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.300 -1.539 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.215 -3.181 -6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.890 -4.111 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.602 -2.355 -8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.406 -0.477 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.482 -2.243 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.923 -1.452 -5.952 1.00 0.00 H new ATOM 65 N ILE A 5 -5.909 -4.072 -10.777 1.00 0.00 N ATOM 66 CA ILE A 5 -5.175 -5.219 -11.291 1.00 0.00 C ATOM 67 C ILE A 5 -4.483 -5.896 -10.102 1.00 0.00 C ATOM 68 O ILE A 5 -3.478 -5.405 -9.583 1.00 0.00 O ATOM 69 CB ILE A 5 -4.177 -4.784 -12.382 1.00 0.00 C ATOM 70 CG1 ILE A 5 -4.789 -3.830 -13.426 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.578 -6.020 -13.066 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.026 -4.378 -14.145 1.00 0.00 C ATOM 0 H ILE A 5 -5.359 -3.214 -10.744 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.849 -5.931 -11.768 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.390 -4.220 -11.882 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.056 -2.896 -12.932 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.029 -3.591 -14.170 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.874 -5.704 -13.836 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.058 -6.629 -12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.376 -6.606 -13.522 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.388 -3.640 -14.860 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.764 -5.296 -14.672 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.807 -4.589 -13.415 1.00 0.00 H new ATOM 84 N HIS A 6 -5.007 -7.031 -9.637 1.00 0.00 N ATOM 85 CA HIS A 6 -4.399 -7.746 -8.521 1.00 0.00 C ATOM 86 C HIS A 6 -3.211 -8.531 -9.094 1.00 0.00 C ATOM 87 O HIS A 6 -3.346 -9.703 -9.438 1.00 0.00 O ATOM 88 CB HIS A 6 -5.432 -8.638 -7.816 1.00 0.00 C ATOM 89 CG HIS A 6 -6.470 -7.896 -6.997 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.953 -8.297 -5.763 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.144 -6.755 -7.349 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.904 -7.421 -5.386 1.00 0.00 C ATOM 93 NE2 HIS A 6 -8.047 -6.486 -6.342 1.00 0.00 N ATOM 0 H HIS A 6 -5.846 -7.471 -10.015 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.041 -7.063 -7.750 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.945 -9.237 -8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.904 -9.332 -7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.995 -6.175 -8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.463 -7.463 -4.463 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.710 -5.711 -6.325 1.00 0.00 H new ATOM 102 N LEU A 7 -2.070 -7.855 -9.268 1.00 0.00 N ATOM 103 CA LEU A 7 -0.894 -8.407 -9.925 1.00 0.00 C ATOM 104 C LEU A 7 -0.243 -9.569 -9.181 1.00 0.00 C ATOM 105 O LEU A 7 -0.438 -9.770 -7.981 1.00 0.00 O ATOM 106 CB LEU A 7 0.160 -7.306 -10.100 1.00 0.00 C ATOM 107 CG LEU A 7 -0.217 -6.222 -11.110 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.757 -5.059 -10.923 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.109 -6.739 -12.547 1.00 0.00 C ATOM 0 H LEU A 7 -1.942 -6.895 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.248 -8.795 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.341 -6.837 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.098 -7.765 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.249 -5.913 -10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.516 -4.265 -11.630 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.675 -4.676 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.775 -5.405 -11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.384 -5.945 -13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.915 -7.055 -12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.782 -7.586 -12.680 1.00 0.00 H new ATOM 121 N THR A 8 0.605 -10.283 -9.926 1.00 0.00 N ATOM 122 CA THR A 8 1.436 -11.374 -9.473 1.00 0.00 C ATOM 123 C THR A 8 2.788 -11.221 -10.178 1.00 0.00 C ATOM 124 O THR A 8 2.879 -10.529 -11.196 1.00 0.00 O ATOM 125 CB THR A 8 0.780 -12.720 -9.804 1.00 0.00 C ATOM 126 OG1 THR A 8 0.725 -12.885 -11.209 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.636 -12.844 -9.235 1.00 0.00 C ATOM 0 H THR A 8 0.729 -10.094 -10.921 1.00 0.00 H new ATOM 0 HA THR A 8 1.568 -11.349 -8.391 1.00 0.00 H new ATOM 0 HB THR A 8 1.391 -13.496 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.970 -13.805 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.051 -13.816 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.602 -12.748 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.265 -12.056 -9.649 1.00 0.00 H new ATOM 135 N ASP A 9 3.833 -11.864 -9.650 1.00 0.00 N ATOM 136 CA ASP A 9 5.190 -11.808 -10.177 1.00 0.00 C ATOM 137 C ASP A 9 5.222 -12.154 -11.669 1.00 0.00 C ATOM 138 O ASP A 9 5.818 -11.433 -12.465 1.00 0.00 O ATOM 139 CB ASP A 9 6.083 -12.750 -9.360 1.00 0.00 C ATOM 140 CG ASP A 9 7.551 -12.646 -9.766 1.00 0.00 C ATOM 141 OD1 ASP A 9 7.906 -13.282 -10.781 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.300 -11.950 -9.048 1.00 0.00 O ATOM 0 H ASP A 9 3.751 -12.453 -8.821 1.00 0.00 H new ATOM 0 HA ASP A 9 5.570 -10.791 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.983 -12.515 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.743 -13.777 -9.492 1.00 0.00 H new ATOM 147 N ASP A 10 4.560 -13.250 -12.048 1.00 0.00 N ATOM 148 CA ASP A 10 4.510 -13.702 -13.435 1.00 0.00 C ATOM 149 C ASP A 10 3.830 -12.679 -14.348 1.00 0.00 C ATOM 150 O ASP A 10 4.264 -12.478 -15.479 1.00 0.00 O ATOM 151 CB ASP A 10 3.836 -15.075 -13.532 1.00 0.00 C ATOM 152 CG ASP A 10 2.382 -15.061 -13.076 1.00 0.00 C ATOM 153 OD1 ASP A 10 2.181 -15.015 -11.841 1.00 0.00 O ATOM 154 OD2 ASP A 10 1.500 -15.079 -13.957 1.00 0.00 O ATOM 0 H ASP A 10 4.045 -13.847 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 10 5.537 -13.801 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.884 -15.424 -14.563 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.393 -15.790 -12.927 1.00 0.00 H new ATOM 159 N SER A 11 2.777 -12.018 -13.862 1.00 0.00 N ATOM 160 CA SER A 11 2.043 -11.049 -14.668 1.00 0.00 C ATOM 161 C SER A 11 2.802 -9.721 -14.742 1.00 0.00 C ATOM 162 O SER A 11 2.682 -8.987 -15.722 1.00 0.00 O ATOM 163 CB SER A 11 0.652 -10.821 -14.069 1.00 0.00 C ATOM 164 OG SER A 11 0.019 -12.048 -13.764 1.00 0.00 O ATOM 0 H SER A 11 2.417 -12.138 -12.915 1.00 0.00 H new ATOM 0 HA SER A 11 1.941 -11.446 -15.678 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.737 -10.218 -13.165 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.039 -10.257 -14.772 1.00 0.00 H new ATOM 0 HG SER A 11 0.276 -12.334 -12.863 1.00 0.00 H new ATOM 170 N PHE A 12 3.570 -9.415 -13.692 1.00 0.00 N ATOM 171 CA PHE A 12 4.360 -8.202 -13.532 1.00 0.00 C ATOM 172 C PHE A 12 5.096 -7.780 -14.806 1.00 0.00 C ATOM 173 O PHE A 12 5.043 -6.616 -15.200 1.00 0.00 O ATOM 174 CB PHE A 12 5.362 -8.411 -12.394 1.00 0.00 C ATOM 175 CG PHE A 12 5.847 -7.125 -11.778 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.089 -6.532 -10.758 1.00 0.00 C ATOM 177 CD2 PHE A 12 7.019 -6.500 -12.241 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.546 -5.366 -10.129 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.438 -5.294 -11.657 1.00 0.00 C ATOM 180 CZ PHE A 12 6.730 -4.755 -10.571 1.00 0.00 C ATOM 0 H PHE A 12 3.658 -10.042 -12.893 1.00 0.00 H new ATOM 0 HA PHE A 12 3.668 -7.392 -13.300 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.899 -9.023 -11.620 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.218 -8.969 -12.772 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.151 -6.975 -10.457 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.593 -6.945 -13.041 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.990 -4.939 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.306 -4.780 -12.044 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.097 -3.869 -10.075 1.00 0.00 H new ATOM 190 N ASP A 13 5.793 -8.721 -15.447 1.00 0.00 N ATOM 191 CA ASP A 13 6.544 -8.442 -16.664 1.00 0.00 C ATOM 192 C ASP A 13 5.664 -7.740 -17.700 1.00 0.00 C ATOM 193 O ASP A 13 5.923 -6.609 -18.105 1.00 0.00 O ATOM 194 CB ASP A 13 7.112 -9.746 -17.238 1.00 0.00 C ATOM 195 CG ASP A 13 7.688 -9.533 -18.637 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.831 -9.035 -18.710 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.963 -9.849 -19.610 1.00 0.00 O ATOM 0 H ASP A 13 5.850 -9.691 -15.136 1.00 0.00 H new ATOM 0 HA ASP A 13 7.369 -7.774 -16.416 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.890 -10.128 -16.577 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.327 -10.501 -17.277 1.00 0.00 H new ATOM 202 N THR A 14 4.633 -8.443 -18.154 1.00 0.00 N ATOM 203 CA THR A 14 3.767 -7.963 -19.206 1.00 0.00 C ATOM 204 C THR A 14 2.923 -6.773 -18.759 1.00 0.00 C ATOM 205 O THR A 14 2.758 -5.811 -19.504 1.00 0.00 O ATOM 206 CB THR A 14 2.910 -9.140 -19.688 1.00 0.00 C ATOM 207 OG1 THR A 14 3.703 -10.313 -19.687 1.00 0.00 O ATOM 208 CG2 THR A 14 2.366 -8.898 -21.098 1.00 0.00 C ATOM 0 H THR A 14 4.380 -9.364 -17.797 1.00 0.00 H new ATOM 0 HA THR A 14 4.368 -7.588 -20.035 1.00 0.00 H new ATOM 0 HB THR A 14 2.061 -9.248 -19.013 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.164 -11.072 -19.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.764 -9.752 -21.407 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.750 -7.999 -21.101 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.197 -8.770 -21.792 1.00 0.00 H new ATOM 216 N ASP A 15 2.360 -6.851 -17.555 1.00 0.00 N ATOM 217 CA ASP A 15 1.450 -5.828 -17.074 1.00 0.00 C ATOM 218 C ASP A 15 2.164 -4.547 -16.662 1.00 0.00 C ATOM 219 O ASP A 15 1.718 -3.463 -17.028 1.00 0.00 O ATOM 220 CB ASP A 15 0.616 -6.367 -15.904 1.00 0.00 C ATOM 221 CG ASP A 15 -0.313 -7.525 -16.268 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.330 -7.927 -17.451 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.000 -7.995 -15.335 1.00 0.00 O ATOM 0 H ASP A 15 2.522 -7.615 -16.898 1.00 0.00 H new ATOM 0 HA ASP A 15 0.794 -5.573 -17.907 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.291 -6.694 -15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.018 -5.553 -15.495 1.00 0.00 H new ATOM 228 N VAL A 16 3.231 -4.659 -15.869 1.00 0.00 N ATOM 229 CA VAL A 16 3.943 -3.512 -15.320 1.00 0.00 C ATOM 230 C VAL A 16 5.148 -3.133 -16.169 1.00 0.00 C ATOM 231 O VAL A 16 5.245 -1.997 -16.631 1.00 0.00 O ATOM 232 CB VAL A 16 4.357 -3.779 -13.861 1.00 0.00 C ATOM 233 CG1 VAL A 16 5.023 -2.544 -13.248 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.141 -4.139 -13.006 1.00 0.00 C ATOM 0 H VAL A 16 3.626 -5.557 -15.590 1.00 0.00 H new ATOM 0 HA VAL A 16 3.260 -2.663 -15.335 1.00 0.00 H new ATOM 0 HB VAL A 16 5.060 -4.612 -13.874 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.306 -2.757 -12.217 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.913 -2.287 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.325 -1.707 -13.266 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.459 -4.323 -11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.428 -3.315 -13.022 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.668 -5.036 -13.406 1.00 0.00 H new ATOM 244 N LEU A 17 6.096 -4.053 -16.355 1.00 0.00 N ATOM 245 CA LEU A 17 7.325 -3.693 -17.055 1.00 0.00 C ATOM 246 C LEU A 17 7.048 -3.304 -18.503 1.00 0.00 C ATOM 247 O LEU A 17 7.621 -2.334 -18.992 1.00 0.00 O ATOM 248 CB LEU A 17 8.417 -4.756 -16.881 1.00 0.00 C ATOM 249 CG LEU A 17 8.746 -4.985 -15.394 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.856 -6.032 -15.262 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.195 -3.690 -14.701 1.00 0.00 C ATOM 0 H LEU A 17 6.040 -5.022 -16.041 1.00 0.00 H new ATOM 0 HA LEU A 17 7.733 -2.797 -16.588 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.090 -5.693 -17.331 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.317 -4.445 -17.411 1.00 0.00 H new ATOM 0 HG LEU A 17 7.835 -5.335 -14.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.084 -6.189 -14.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.525 -6.971 -15.706 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.750 -5.682 -15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.417 -3.896 -13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.088 -3.305 -15.193 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.398 -2.949 -14.764 1.00 0.00 H new ATOM 263 N LYS A 18 6.136 -4.013 -19.169 1.00 0.00 N ATOM 264 CA LYS A 18 5.735 -3.679 -20.530 1.00 0.00 C ATOM 265 C LYS A 18 4.445 -2.841 -20.511 1.00 0.00 C ATOM 266 O LYS A 18 3.656 -2.899 -21.452 1.00 0.00 O ATOM 267 CB LYS A 18 5.629 -4.964 -21.361 1.00 0.00 C ATOM 268 CG LYS A 18 6.967 -5.716 -21.381 1.00 0.00 C ATOM 269 CD LYS A 18 6.839 -7.081 -22.063 1.00 0.00 C ATOM 270 CE LYS A 18 8.197 -7.795 -22.072 1.00 0.00 C ATOM 271 NZ LYS A 18 8.052 -9.216 -22.430 1.00 0.00 N ATOM 0 H LYS A 18 5.660 -4.828 -18.782 1.00 0.00 H new ATOM 0 HA LYS A 18 6.489 -3.057 -21.012 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.852 -5.607 -20.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.330 -4.719 -22.380 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.713 -5.117 -21.903 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.324 -5.851 -20.360 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.102 -7.690 -21.539 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.479 -6.954 -23.084 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.863 -7.305 -22.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.661 -7.711 -21.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.980 -9.604 -22.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.674 -9.742 -21.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.399 -9.306 -23.235 1.00 0.00 H new ATOM 285 N ALA A 19 4.228 -2.046 -19.452 1.00 0.00 N ATOM 286 CA ALA A 19 3.057 -1.184 -19.350 1.00 0.00 C ATOM 287 C ALA A 19 3.085 -0.091 -20.416 1.00 0.00 C ATOM 288 O ALA A 19 4.152 0.309 -20.878 1.00 0.00 O ATOM 289 CB ALA A 19 3.012 -0.511 -17.976 1.00 0.00 C ATOM 0 H ALA A 19 4.858 -1.988 -18.652 1.00 0.00 H new ATOM 0 HA ALA A 19 2.177 -1.811 -19.494 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.133 0.130 -17.913 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.961 -1.274 -17.199 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.910 0.091 -17.836 1.00 0.00 H new ATOM 295 N ASP A 20 1.901 0.429 -20.752 1.00 0.00 N ATOM 296 CA ASP A 20 1.711 1.525 -21.692 1.00 0.00 C ATOM 297 C ASP A 20 0.789 2.554 -21.043 1.00 0.00 C ATOM 298 O ASP A 20 -0.276 2.883 -21.559 1.00 0.00 O ATOM 299 CB ASP A 20 1.159 0.974 -23.010 1.00 0.00 C ATOM 300 CG ASP A 20 0.947 2.053 -24.071 1.00 0.00 C ATOM 301 OD1 ASP A 20 1.719 3.036 -24.060 1.00 0.00 O ATOM 302 OD2 ASP A 20 0.023 1.864 -24.890 1.00 0.00 O ATOM 0 H ASP A 20 1.024 0.084 -20.362 1.00 0.00 H new ATOM 0 HA ASP A 20 2.653 2.020 -21.929 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.846 0.222 -23.398 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.211 0.471 -22.818 1.00 0.00 H new ATOM 307 N GLY A 21 1.197 3.030 -19.868 1.00 0.00 N ATOM 308 CA GLY A 21 0.444 3.993 -19.080 1.00 0.00 C ATOM 309 C GLY A 21 0.961 4.034 -17.646 1.00 0.00 C ATOM 310 O GLY A 21 1.972 3.400 -17.332 1.00 0.00 O ATOM 0 H GLY A 21 2.076 2.750 -19.433 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.525 4.982 -19.530 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.613 3.727 -19.084 1.00 0.00 H new ATOM 314 N ALA A 22 0.266 4.785 -16.787 1.00 0.00 N ATOM 315 CA ALA A 22 0.572 4.955 -15.376 1.00 0.00 C ATOM 316 C ALA A 22 -0.120 3.867 -14.554 1.00 0.00 C ATOM 317 O ALA A 22 -1.351 3.817 -14.505 1.00 0.00 O ATOM 318 CB ALA A 22 0.114 6.351 -14.941 1.00 0.00 C ATOM 0 H ALA A 22 -0.559 5.311 -17.075 1.00 0.00 H new ATOM 0 HA ALA A 22 1.645 4.863 -15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.337 6.494 -13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.638 7.105 -15.528 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.960 6.448 -15.102 1.00 0.00 H new ATOM 324 N ILE A 23 0.673 3.000 -13.918 1.00 0.00 N ATOM 325 CA ILE A 23 0.200 1.907 -13.089 1.00 0.00 C ATOM 326 C ILE A 23 0.623 2.139 -11.636 1.00 0.00 C ATOM 327 O ILE A 23 1.815 2.140 -11.333 1.00 0.00 O ATOM 328 CB ILE A 23 0.688 0.552 -13.632 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.447 0.462 -15.152 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.003 -0.581 -12.858 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.413 -0.972 -15.682 1.00 0.00 C ATOM 0 H ILE A 23 1.690 3.048 -13.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.889 1.878 -13.119 1.00 0.00 H new ATOM 0 HB ILE A 23 1.763 0.454 -13.481 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.497 0.952 -15.391 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.232 1.013 -15.669 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.339 -1.543 -13.239 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.243 -0.501 -11.799 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.083 -0.503 -12.986 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.240 -0.958 -16.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.366 -1.459 -15.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.390 -1.522 -15.192 1.00 0.00 H new ATOM 343 N LEU A 24 -0.343 2.304 -10.727 1.00 0.00 N ATOM 344 CA LEU A 24 -0.082 2.469 -9.303 1.00 0.00 C ATOM 345 C LEU A 24 -0.034 1.076 -8.690 1.00 0.00 C ATOM 346 O LEU A 24 -1.071 0.525 -8.325 1.00 0.00 O ATOM 347 CB LEU A 24 -1.157 3.354 -8.656 1.00 0.00 C ATOM 348 CG LEU A 24 -0.942 3.579 -7.148 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.179 4.600 -6.920 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.246 4.049 -6.496 1.00 0.00 C ATOM 0 H LEU A 24 -1.334 2.326 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 24 0.868 2.975 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.173 4.320 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.134 2.897 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.646 2.637 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.322 4.751 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.104 4.229 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.091 5.547 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.084 4.205 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.566 4.984 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.017 3.292 -6.639 1.00 0.00 H new ATOM 362 N VAL A 25 1.167 0.508 -8.589 1.00 0.00 N ATOM 363 CA VAL A 25 1.370 -0.819 -8.041 1.00 0.00 C ATOM 364 C VAL A 25 1.505 -0.734 -6.527 1.00 0.00 C ATOM 365 O VAL A 25 2.562 -0.371 -6.014 1.00 0.00 O ATOM 366 CB VAL A 25 2.593 -1.497 -8.675 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.670 -2.946 -8.178 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.514 -1.506 -10.205 1.00 0.00 C ATOM 0 H VAL A 25 2.028 0.965 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 25 0.503 -1.435 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 25 3.479 -0.932 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.536 -3.438 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.766 -2.954 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.763 -3.478 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.399 -1.995 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.623 -2.048 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.464 -0.481 -10.573 1.00 0.00 H new ATOM 378 N ASP A 26 0.446 -1.113 -5.812 1.00 0.00 N ATOM 379 CA ASP A 26 0.447 -1.189 -4.365 1.00 0.00 C ATOM 380 C ASP A 26 0.933 -2.581 -3.980 1.00 0.00 C ATOM 381 O ASP A 26 0.183 -3.541 -4.133 1.00 0.00 O ATOM 382 CB ASP A 26 -0.964 -0.951 -3.812 1.00 0.00 C ATOM 383 CG ASP A 26 -1.059 -1.381 -2.354 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.038 -1.995 -1.944 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.012 -1.091 -1.540 1.00 0.00 O ATOM 0 H ASP A 26 -0.444 -1.378 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 26 1.100 -0.423 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.220 0.105 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.690 -1.506 -4.406 1.00 0.00 H new ATOM 391 N PHE A 27 2.150 -2.701 -3.458 1.00 0.00 N ATOM 392 CA PHE A 27 2.641 -3.975 -2.951 1.00 0.00 C ATOM 393 C PHE A 27 2.005 -4.105 -1.564 1.00 0.00 C ATOM 394 O PHE A 27 2.121 -3.160 -0.784 1.00 0.00 O ATOM 395 CB PHE A 27 4.176 -3.993 -2.886 1.00 0.00 C ATOM 396 CG PHE A 27 4.903 -4.051 -4.224 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.763 -3.013 -5.164 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.812 -5.097 -4.487 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.465 -3.059 -6.379 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.568 -5.097 -5.673 1.00 0.00 C ATOM 401 CZ PHE A 27 6.377 -4.093 -6.632 1.00 0.00 C ATOM 0 H PHE A 27 2.813 -1.930 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 27 2.376 -4.812 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.507 -3.101 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.484 -4.852 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.113 -2.178 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.928 -5.901 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.301 -2.293 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.298 -5.874 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.929 -4.116 -7.560 1.00 0.00 H new ATOM 411 N TRP A 28 1.304 -5.210 -1.270 1.00 0.00 N ATOM 412 CA TRP A 28 0.561 -5.410 -0.024 1.00 0.00 C ATOM 413 C TRP A 28 0.691 -6.828 0.537 1.00 0.00 C ATOM 414 O TRP A 28 1.189 -7.725 -0.139 1.00 0.00 O ATOM 415 CB TRP A 28 -0.918 -5.083 -0.263 1.00 0.00 C ATOM 416 CG TRP A 28 -1.680 -6.030 -1.137 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.642 -6.062 -2.484 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.620 -7.072 -0.743 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.457 -7.073 -2.955 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.104 -7.715 -1.922 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.124 -7.529 0.492 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.035 -8.765 -1.874 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.066 -8.572 0.551 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.514 -9.197 -0.626 1.00 0.00 C ATOM 0 H TRP A 28 1.239 -6.004 -1.907 1.00 0.00 H new ATOM 0 HA TRP A 28 0.993 -4.740 0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.417 -5.035 0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.980 -4.088 -0.703 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.060 -5.396 -3.104 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.566 -7.313 -3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.781 -7.071 1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.378 -9.234 -2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.448 -8.895 1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.225 -10.008 -0.571 1.00 0.00 H new ATOM 435 N ALA A 29 0.217 -7.027 1.773 1.00 0.00 N ATOM 436 CA ALA A 29 0.222 -8.302 2.482 1.00 0.00 C ATOM 437 C ALA A 29 -1.000 -8.351 3.403 1.00 0.00 C ATOM 438 O ALA A 29 -1.284 -7.355 4.065 1.00 0.00 O ATOM 439 CB ALA A 29 1.509 -8.410 3.303 1.00 0.00 C ATOM 0 H ALA A 29 -0.195 -6.273 2.323 1.00 0.00 H new ATOM 0 HA ALA A 29 0.180 -9.134 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.521 -9.360 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.371 -8.356 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.553 -7.590 4.020 1.00 0.00 H new ATOM 445 N GLU A 30 -1.715 -9.484 3.457 1.00 0.00 N ATOM 446 CA GLU A 30 -2.925 -9.648 4.266 1.00 0.00 C ATOM 447 C GLU A 30 -2.719 -9.188 5.711 1.00 0.00 C ATOM 448 O GLU A 30 -3.524 -8.433 6.255 1.00 0.00 O ATOM 449 CB GLU A 30 -3.391 -11.118 4.277 1.00 0.00 C ATOM 450 CG GLU A 30 -4.112 -11.601 3.003 1.00 0.00 C ATOM 451 CD GLU A 30 -3.194 -11.924 1.826 1.00 0.00 C ATOM 452 OE1 GLU A 30 -1.962 -11.785 1.991 1.00 0.00 O ATOM 453 OE2 GLU A 30 -3.739 -12.305 0.768 1.00 0.00 O ATOM 0 H GLU A 30 -1.463 -10.322 2.932 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.688 -9.022 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.522 -11.754 4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.059 -11.262 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.692 -12.491 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.821 -10.834 2.692 1.00 0.00 H new ATOM 460 N TRP A 31 -1.656 -9.681 6.344 1.00 0.00 N ATOM 461 CA TRP A 31 -1.346 -9.385 7.735 1.00 0.00 C ATOM 462 C TRP A 31 -1.032 -7.902 7.960 1.00 0.00 C ATOM 463 O TRP A 31 -1.212 -7.394 9.066 1.00 0.00 O ATOM 464 CB TRP A 31 -0.191 -10.280 8.198 1.00 0.00 C ATOM 465 CG TRP A 31 1.049 -10.240 7.354 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.357 -11.125 6.378 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.150 -9.280 7.382 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.553 -10.773 5.796 1.00 0.00 N ATOM 469 CE2 TRP A 31 3.090 -9.642 6.372 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.450 -8.135 8.153 1.00 0.00 C ATOM 471 CZ2 TRP A 31 4.258 -8.905 6.132 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.622 -7.389 7.923 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.526 -7.773 6.917 1.00 0.00 C ATOM 0 H TRP A 31 -0.981 -10.303 5.898 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.230 -9.599 8.336 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.077 -9.997 9.216 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.548 -11.309 8.237 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.756 -11.978 6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.989 -11.287 5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.769 -7.826 8.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.943 -9.205 5.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.828 -6.515 8.524 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.425 -7.198 6.749 1.00 0.00 H new ATOM 484 N CYS A 32 -0.565 -7.190 6.931 1.00 0.00 N ATOM 485 CA CYS A 32 -0.217 -5.787 7.083 1.00 0.00 C ATOM 486 C CYS A 32 -1.474 -4.923 7.035 1.00 0.00 C ATOM 487 O CYS A 32 -1.776 -4.304 6.017 1.00 0.00 O ATOM 488 CB CYS A 32 0.829 -5.371 6.051 1.00 0.00 C ATOM 489 SG CYS A 32 1.224 -3.634 6.364 1.00 0.00 S ATOM 0 H CYS A 32 -0.422 -7.564 5.993 1.00 0.00 H new ATOM 0 HA CYS A 32 0.239 -5.634 8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.722 -5.990 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.445 -5.502 5.039 1.00 0.00 H new ATOM 0 HG CYS A 32 2.143 -3.241 5.533 1.00 0.00 H new ATOM 495 N GLY A 33 -2.194 -4.887 8.164 1.00 0.00 N ATOM 496 CA GLY A 33 -3.422 -4.130 8.406 1.00 0.00 C ATOM 497 C GLY A 33 -3.599 -2.884 7.525 1.00 0.00 C ATOM 498 O GLY A 33 -4.570 -2.824 6.771 1.00 0.00 O ATOM 0 H GLY A 33 -1.912 -5.423 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.275 -4.791 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.442 -3.823 9.452 1.00 0.00 H new ATOM 502 N PRO A 34 -2.693 -1.891 7.594 1.00 0.00 N ATOM 503 CA PRO A 34 -2.739 -0.677 6.784 1.00 0.00 C ATOM 504 C PRO A 34 -3.112 -0.905 5.312 1.00 0.00 C ATOM 505 O PRO A 34 -3.813 -0.086 4.722 1.00 0.00 O ATOM 506 CB PRO A 34 -1.356 -0.042 6.935 1.00 0.00 C ATOM 507 CG PRO A 34 -0.974 -0.437 8.361 1.00 0.00 C ATOM 508 CD PRO A 34 -1.534 -1.855 8.475 1.00 0.00 C ATOM 0 HA PRO A 34 -3.539 -0.025 7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.648 -0.429 6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.388 1.040 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.105 -0.414 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.414 0.233 9.099 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.791 -2.595 8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.816 -2.084 9.503 1.00 0.00 H new ATOM 516 N CYS A 35 -2.687 -2.024 4.721 1.00 0.00 N ATOM 517 CA CYS A 35 -3.030 -2.379 3.349 1.00 0.00 C ATOM 518 C CYS A 35 -4.550 -2.436 3.190 1.00 0.00 C ATOM 519 O CYS A 35 -5.123 -1.839 2.279 1.00 0.00 O ATOM 520 CB CYS A 35 -2.437 -3.740 2.962 1.00 0.00 C ATOM 521 SG CYS A 35 -0.630 -3.681 2.975 1.00 0.00 S ATOM 0 H CYS A 35 -2.093 -2.710 5.186 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.613 -1.615 2.693 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.785 -4.504 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.789 -4.026 1.971 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.206 -3.627 4.203 1.00 0.00 H new ATOM 527 N LYS A 36 -5.214 -3.134 4.112 1.00 0.00 N ATOM 528 CA LYS A 36 -6.662 -3.258 4.130 1.00 0.00 C ATOM 529 C LYS A 36 -7.292 -1.890 4.394 1.00 0.00 C ATOM 530 O LYS A 36 -8.350 -1.594 3.848 1.00 0.00 O ATOM 531 CB LYS A 36 -7.090 -4.304 5.165 1.00 0.00 C ATOM 532 CG LYS A 36 -6.670 -5.709 4.714 1.00 0.00 C ATOM 533 CD LYS A 36 -6.764 -6.701 5.877 1.00 0.00 C ATOM 534 CE LYS A 36 -6.613 -8.135 5.357 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.331 -9.076 6.453 1.00 0.00 N ATOM 0 H LYS A 36 -4.752 -3.632 4.873 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.016 -3.604 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.638 -4.075 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.171 -4.268 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.309 -6.040 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.649 -5.684 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.987 -6.488 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.722 -6.589 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.526 -8.435 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.807 -8.175 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.644 -10.030 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.309 -9.088 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.841 -8.776 7.308 1.00 0.00 H new ATOM 549 N MET A 37 -6.638 -1.047 5.198 1.00 0.00 N ATOM 550 CA MET A 37 -7.136 0.298 5.458 1.00 0.00 C ATOM 551 C MET A 37 -7.121 1.124 4.166 1.00 0.00 C ATOM 552 O MET A 37 -8.095 1.816 3.876 1.00 0.00 O ATOM 553 CB MET A 37 -6.358 0.987 6.586 1.00 0.00 C ATOM 554 CG MET A 37 -6.354 0.178 7.890 1.00 0.00 C ATOM 555 SD MET A 37 -7.982 -0.171 8.601 1.00 0.00 S ATOM 556 CE MET A 37 -7.489 -1.134 10.047 1.00 0.00 C ATOM 0 H MET A 37 -5.766 -1.275 5.676 1.00 0.00 H new ATOM 0 HA MET A 37 -8.168 0.220 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.330 1.152 6.263 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.794 1.968 6.774 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.847 -0.769 7.707 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.763 0.718 8.630 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.376 -1.434 10.604 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.946 -2.022 9.725 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.847 -0.528 10.686 1.00 0.00 H new ATOM 566 N ILE A 38 -6.038 1.060 3.379 1.00 0.00 N ATOM 567 CA ILE A 38 -5.981 1.805 2.122 1.00 0.00 C ATOM 568 C ILE A 38 -6.805 1.150 1.011 1.00 0.00 C ATOM 569 O ILE A 38 -7.230 1.859 0.106 1.00 0.00 O ATOM 570 CB ILE A 38 -4.552 2.142 1.662 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.739 0.899 1.279 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.826 2.989 2.713 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.471 1.264 0.505 1.00 0.00 C ATOM 0 H ILE A 38 -5.205 0.509 3.588 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.450 2.764 2.343 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.645 2.733 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.469 0.350 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.355 0.234 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.818 3.215 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.372 3.919 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.771 2.437 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.924 0.355 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.742 1.790 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.842 1.907 1.120 1.00 0.00 H new ATOM 585 N ALA A 39 -7.036 -0.168 1.035 1.00 0.00 N ATOM 586 CA ALA A 39 -7.822 -0.871 0.014 1.00 0.00 C ATOM 587 C ALA A 39 -9.048 -0.083 -0.500 1.00 0.00 C ATOM 588 O ALA A 39 -9.113 0.186 -1.700 1.00 0.00 O ATOM 589 CB ALA A 39 -8.181 -2.285 0.482 1.00 0.00 C ATOM 0 H ALA A 39 -6.680 -0.781 1.769 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.178 -0.957 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.763 -2.787 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.267 -2.848 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.768 -2.227 1.399 1.00 0.00 H new ATOM 595 N PRO A 40 -10.010 0.329 0.349 1.00 0.00 N ATOM 596 CA PRO A 40 -11.149 1.124 -0.094 1.00 0.00 C ATOM 597 C PRO A 40 -10.705 2.429 -0.765 1.00 0.00 C ATOM 598 O PRO A 40 -11.299 2.843 -1.757 1.00 0.00 O ATOM 599 CB PRO A 40 -12.008 1.380 1.148 1.00 0.00 C ATOM 600 CG PRO A 40 -11.031 1.192 2.305 1.00 0.00 C ATOM 601 CD PRO A 40 -10.094 0.108 1.782 1.00 0.00 C ATOM 0 HA PRO A 40 -11.722 0.593 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.433 2.384 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.842 0.681 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.495 2.113 2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.540 0.881 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.112 0.179 2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.481 -0.886 2.004 1.00 0.00 H new ATOM 609 N ILE A 41 -9.639 3.064 -0.267 1.00 0.00 N ATOM 610 CA ILE A 41 -9.106 4.277 -0.868 1.00 0.00 C ATOM 611 C ILE A 41 -8.634 3.938 -2.284 1.00 0.00 C ATOM 612 O ILE A 41 -9.007 4.616 -3.237 1.00 0.00 O ATOM 613 CB ILE A 41 -7.984 4.903 -0.017 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.385 5.000 1.466 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.666 6.298 -0.573 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.298 5.656 2.321 1.00 0.00 C ATOM 0 H ILE A 41 -9.129 2.749 0.558 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.888 5.035 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.102 4.265 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.308 5.573 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.592 4.001 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.873 6.754 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.340 6.211 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.559 6.921 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.629 5.701 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.382 5.069 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.108 6.666 1.957 1.00 0.00 H new ATOM 628 N LEU A 42 -7.846 2.870 -2.437 1.00 0.00 N ATOM 629 CA LEU A 42 -7.380 2.419 -3.741 1.00 0.00 C ATOM 630 C LEU A 42 -8.578 2.152 -4.656 1.00 0.00 C ATOM 631 O LEU A 42 -8.538 2.527 -5.825 1.00 0.00 O ATOM 632 CB LEU A 42 -6.464 1.190 -3.614 1.00 0.00 C ATOM 633 CG LEU A 42 -5.096 1.518 -2.990 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.417 0.213 -2.566 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.169 2.248 -3.970 1.00 0.00 C ATOM 0 H LEU A 42 -7.517 2.298 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.778 3.207 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.962 0.435 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.311 0.755 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.273 2.173 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.446 0.435 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.041 -0.301 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.279 -0.426 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.217 2.457 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.999 1.621 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.632 3.185 -4.279 1.00 0.00 H new ATOM 647 N ASP A 43 -9.653 1.544 -4.142 1.00 0.00 N ATOM 648 CA ASP A 43 -10.863 1.317 -4.931 1.00 0.00 C ATOM 649 C ASP A 43 -11.450 2.659 -5.389 1.00 0.00 C ATOM 650 O ASP A 43 -11.766 2.838 -6.565 1.00 0.00 O ATOM 651 CB ASP A 43 -11.904 0.501 -4.152 1.00 0.00 C ATOM 652 CG ASP A 43 -11.413 -0.885 -3.738 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.771 -1.543 -4.583 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.710 -1.276 -2.589 1.00 0.00 O ATOM 0 H ASP A 43 -9.707 1.201 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.589 0.733 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.194 1.056 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.799 0.392 -4.764 1.00 0.00 H new ATOM 659 N GLU A 44 -11.581 3.622 -4.470 1.00 0.00 N ATOM 660 CA GLU A 44 -12.088 4.947 -4.811 1.00 0.00 C ATOM 661 C GLU A 44 -11.229 5.550 -5.922 1.00 0.00 C ATOM 662 O GLU A 44 -11.761 5.964 -6.948 1.00 0.00 O ATOM 663 CB GLU A 44 -12.129 5.869 -3.586 1.00 0.00 C ATOM 664 CG GLU A 44 -13.213 5.469 -2.578 1.00 0.00 C ATOM 665 CD GLU A 44 -14.605 5.839 -3.078 1.00 0.00 C ATOM 666 OE1 GLU A 44 -14.919 7.048 -3.017 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.321 4.914 -3.519 1.00 0.00 O ATOM 0 H GLU A 44 -11.342 3.504 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.114 4.845 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.157 5.854 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.304 6.894 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.164 4.395 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.025 5.963 -1.625 1.00 0.00 H new ATOM 674 N ILE A 45 -9.908 5.571 -5.739 1.00 0.00 N ATOM 675 CA ILE A 45 -8.978 6.076 -6.739 1.00 0.00 C ATOM 676 C ILE A 45 -9.198 5.357 -8.071 1.00 0.00 C ATOM 677 O ILE A 45 -9.309 6.009 -9.104 1.00 0.00 O ATOM 678 CB ILE A 45 -7.528 5.923 -6.249 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.205 6.801 -5.027 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.516 6.192 -7.372 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.389 8.308 -5.224 1.00 0.00 C ATOM 0 H ILE A 45 -9.456 5.236 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.164 7.139 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.437 4.883 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.836 6.482 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.172 6.615 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.504 6.074 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.679 5.485 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.646 7.208 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.134 8.829 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.738 8.652 -6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.427 8.517 -5.484 1.00 0.00 H new ATOM 693 N ALA A 46 -9.256 4.024 -8.057 1.00 0.00 N ATOM 694 CA ALA A 46 -9.455 3.221 -9.253 1.00 0.00 C ATOM 695 C ALA A 46 -10.707 3.677 -9.999 1.00 0.00 C ATOM 696 O ALA A 46 -10.692 3.797 -11.220 1.00 0.00 O ATOM 697 CB ALA A 46 -9.524 1.739 -8.881 1.00 0.00 C ATOM 0 H ALA A 46 -9.165 3.472 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.608 3.358 -9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.673 1.144 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.593 1.441 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.355 1.574 -8.196 1.00 0.00 H new ATOM 703 N ASP A 47 -11.786 3.952 -9.263 1.00 0.00 N ATOM 704 CA ASP A 47 -13.019 4.444 -9.853 1.00 0.00 C ATOM 705 C ASP A 47 -12.814 5.863 -10.404 1.00 0.00 C ATOM 706 O ASP A 47 -13.010 6.112 -11.593 1.00 0.00 O ATOM 707 CB ASP A 47 -14.139 4.383 -8.805 1.00 0.00 C ATOM 708 CG ASP A 47 -15.523 4.515 -9.429 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.734 5.507 -10.158 1.00 0.00 O ATOM 710 OD2 ASP A 47 -16.349 3.612 -9.168 1.00 0.00 O ATOM 0 H ASP A 47 -11.824 3.839 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.310 3.815 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.076 3.439 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.994 5.180 -8.075 1.00 0.00 H new ATOM 715 N GLU A 48 -12.421 6.798 -9.537 1.00 0.00 N ATOM 716 CA GLU A 48 -12.213 8.206 -9.861 1.00 0.00 C ATOM 717 C GLU A 48 -11.314 8.402 -11.089 1.00 0.00 C ATOM 718 O GLU A 48 -11.636 9.195 -11.970 1.00 0.00 O ATOM 719 CB GLU A 48 -11.637 8.925 -8.632 1.00 0.00 C ATOM 720 CG GLU A 48 -12.647 9.041 -7.480 1.00 0.00 C ATOM 721 CD GLU A 48 -11.980 9.585 -6.218 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.235 8.806 -5.586 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.216 10.773 -5.911 1.00 0.00 O ATOM 0 H GLU A 48 -12.233 6.586 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.178 8.641 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.755 8.388 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.308 9.923 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.466 9.698 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.081 8.063 -7.273 1.00 0.00 H new ATOM 730 N TYR A 49 -10.185 7.693 -11.141 1.00 0.00 N ATOM 731 CA TYR A 49 -9.203 7.780 -12.215 1.00 0.00 C ATOM 732 C TYR A 49 -9.358 6.617 -13.205 1.00 0.00 C ATOM 733 O TYR A 49 -8.386 6.253 -13.869 1.00 0.00 O ATOM 734 CB TYR A 49 -7.780 7.805 -11.622 1.00 0.00 C ATOM 735 CG TYR A 49 -7.407 9.020 -10.788 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.960 9.187 -9.506 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.410 9.914 -11.231 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.572 10.269 -8.702 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.971 10.957 -10.394 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.556 11.136 -9.129 1.00 0.00 C ATOM 741 OH TYR A 49 -6.129 12.129 -8.299 1.00 0.00 O ATOM 0 H TYR A 49 -9.925 7.025 -10.416 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.374 8.705 -12.765 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.654 6.916 -11.003 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.068 7.725 -12.443 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.687 8.478 -9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.982 9.798 -12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.057 10.435 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.185 11.620 -10.724 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.172 12.016 -8.119 1.00 0.00 H new ATOM 751 N GLN A 50 -10.550 6.020 -13.329 1.00 0.00 N ATOM 752 CA GLN A 50 -10.749 4.908 -14.246 1.00 0.00 C ATOM 753 C GLN A 50 -10.312 5.289 -15.664 1.00 0.00 C ATOM 754 O GLN A 50 -10.714 6.326 -16.188 1.00 0.00 O ATOM 755 CB GLN A 50 -12.200 4.416 -14.185 1.00 0.00 C ATOM 756 CG GLN A 50 -13.235 5.427 -14.700 1.00 0.00 C ATOM 757 CD GLN A 50 -14.653 4.960 -14.394 1.00 0.00 C ATOM 758 OE1 GLN A 50 -15.334 4.407 -15.251 1.00 0.00 O ATOM 759 NE2 GLN A 50 -15.108 5.162 -13.163 1.00 0.00 N ATOM 0 H GLN A 50 -11.382 6.292 -12.806 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.118 4.075 -13.938 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.285 3.499 -14.768 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.441 4.161 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.061 6.399 -14.238 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.116 5.559 -15.775 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.519 5.625 -12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.047 4.854 -12.909 1.00 0.00 H new ATOM 768 N GLY A 51 -9.442 4.477 -16.272 1.00 0.00 N ATOM 769 CA GLY A 51 -8.917 4.735 -17.607 1.00 0.00 C ATOM 770 C GLY A 51 -7.790 5.775 -17.626 1.00 0.00 C ATOM 771 O GLY A 51 -7.103 5.896 -18.638 1.00 0.00 O ATOM 0 H GLY A 51 -9.084 3.621 -15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.547 3.801 -18.031 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.729 5.077 -18.249 1.00 0.00 H new ATOM 775 N LYS A 52 -7.580 6.513 -16.531 1.00 0.00 N ATOM 776 CA LYS A 52 -6.542 7.526 -16.411 1.00 0.00 C ATOM 777 C LYS A 52 -5.349 6.942 -15.655 1.00 0.00 C ATOM 778 O LYS A 52 -4.202 7.176 -16.030 1.00 0.00 O ATOM 779 CB LYS A 52 -7.095 8.762 -15.685 1.00 0.00 C ATOM 780 CG LYS A 52 -8.399 9.272 -16.313 1.00 0.00 C ATOM 781 CD LYS A 52 -8.848 10.564 -15.619 1.00 0.00 C ATOM 782 CE LYS A 52 -10.252 10.986 -16.069 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.308 11.262 -17.515 1.00 0.00 N ATOM 0 H LYS A 52 -8.144 6.415 -15.687 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.214 7.833 -17.404 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.270 8.517 -14.637 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.349 9.557 -15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.252 9.454 -17.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.176 8.513 -16.224 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.839 10.420 -14.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.139 11.362 -15.840 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.964 10.198 -15.822 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.557 11.876 -15.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.251 11.625 -17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.588 11.971 -17.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.125 10.385 -18.043 1.00 0.00 H new ATOM 797 N LEU A 53 -5.621 6.179 -14.591 1.00 0.00 N ATOM 798 CA LEU A 53 -4.614 5.535 -13.762 1.00 0.00 C ATOM 799 C LEU A 53 -5.004 4.071 -13.593 1.00 0.00 C ATOM 800 O LEU A 53 -6.137 3.776 -13.221 1.00 0.00 O ATOM 801 CB LEU A 53 -4.579 6.227 -12.395 1.00 0.00 C ATOM 802 CG LEU A 53 -3.534 5.655 -11.430 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.115 6.099 -11.798 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.876 6.143 -10.023 1.00 0.00 C ATOM 0 H LEU A 53 -6.574 5.992 -14.280 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.629 5.605 -14.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.379 7.288 -12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.564 6.149 -11.935 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.557 4.567 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.405 5.672 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.875 5.755 -12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.053 7.187 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.147 5.750 -9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.853 7.233 -10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.872 5.795 -9.749 1.00 0.00 H new ATOM 816 N THR A 54 -4.063 3.156 -13.828 1.00 0.00 N ATOM 817 CA THR A 54 -4.305 1.737 -13.629 1.00 0.00 C ATOM 818 C THR A 54 -3.894 1.403 -12.195 1.00 0.00 C ATOM 819 O THR A 54 -2.709 1.289 -11.891 1.00 0.00 O ATOM 820 CB THR A 54 -3.513 0.936 -14.668 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.873 1.367 -15.964 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.768 -0.570 -14.565 1.00 0.00 C ATOM 0 H THR A 54 -3.124 3.379 -14.158 1.00 0.00 H new ATOM 0 HA THR A 54 -5.355 1.478 -13.765 1.00 0.00 H new ATOM 0 HB THR A 54 -2.455 1.112 -14.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.367 0.857 -16.631 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.183 -1.091 -15.323 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.475 -0.922 -13.576 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.828 -0.771 -14.723 1.00 0.00 H new ATOM 830 N VAL A 55 -4.854 1.250 -11.287 1.00 0.00 N ATOM 831 CA VAL A 55 -4.523 0.899 -9.915 1.00 0.00 C ATOM 832 C VAL A 55 -4.248 -0.605 -9.883 1.00 0.00 C ATOM 833 O VAL A 55 -4.922 -1.376 -10.568 1.00 0.00 O ATOM 834 CB VAL A 55 -5.656 1.328 -8.974 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.354 0.939 -7.522 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.839 2.849 -9.018 1.00 0.00 C ATOM 0 H VAL A 55 -5.850 1.362 -11.474 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.633 1.422 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.559 0.820 -9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.176 1.257 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.237 -0.142 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.433 1.425 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.646 3.138 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.915 3.336 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.086 3.157 -10.034 1.00 0.00 H new ATOM 846 N ALA A 56 -3.246 -1.037 -9.117 1.00 0.00 N ATOM 847 CA ALA A 56 -2.884 -2.438 -9.014 1.00 0.00 C ATOM 848 C ALA A 56 -2.552 -2.782 -7.564 1.00 0.00 C ATOM 849 O ALA A 56 -2.048 -1.934 -6.831 1.00 0.00 O ATOM 850 CB ALA A 56 -1.737 -2.736 -9.978 1.00 0.00 C ATOM 0 H ALA A 56 -2.665 -0.418 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.721 -3.073 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.463 -3.788 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.052 -2.515 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.877 -2.118 -9.722 1.00 0.00 H new ATOM 856 N LYS A 57 -2.852 -4.014 -7.144 1.00 0.00 N ATOM 857 CA LYS A 57 -2.636 -4.500 -5.784 1.00 0.00 C ATOM 858 C LYS A 57 -1.869 -5.818 -5.841 1.00 0.00 C ATOM 859 O LYS A 57 -2.458 -6.879 -6.033 1.00 0.00 O ATOM 860 CB LYS A 57 -3.984 -4.652 -5.062 1.00 0.00 C ATOM 861 CG LYS A 57 -4.501 -3.284 -4.591 1.00 0.00 C ATOM 862 CD LYS A 57 -5.771 -3.354 -3.724 1.00 0.00 C ATOM 863 CE LYS A 57 -6.770 -4.462 -4.067 1.00 0.00 C ATOM 864 NZ LYS A 57 -7.973 -4.374 -3.221 1.00 0.00 N ATOM 0 H LYS A 57 -3.262 -4.717 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.042 -3.784 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.712 -5.111 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.872 -5.319 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.714 -2.786 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.705 -2.665 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.468 -3.477 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.286 -2.396 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.054 -4.387 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.298 -5.435 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.633 -5.137 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.702 -4.469 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.435 -3.454 -3.368 1.00 0.00 H new ATOM 878 N LEU A 58 -0.556 -5.774 -5.621 1.00 0.00 N ATOM 879 CA LEU A 58 0.306 -6.938 -5.729 1.00 0.00 C ATOM 880 C LEU A 58 0.555 -7.554 -4.360 1.00 0.00 C ATOM 881 O LEU A 58 1.162 -6.937 -3.487 1.00 0.00 O ATOM 882 CB LEU A 58 1.610 -6.488 -6.382 1.00 0.00 C ATOM 883 CG LEU A 58 2.502 -7.685 -6.746 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.301 -7.293 -7.981 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.482 -8.076 -5.632 1.00 0.00 C ATOM 0 H LEU A 58 -0.062 -4.920 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.167 -7.709 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.388 -5.912 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.148 -5.826 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 58 1.858 -8.548 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.949 -8.119 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.618 -7.062 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.909 -6.416 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.080 -8.928 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.138 -7.234 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.924 -8.345 -4.735 1.00 0.00 H new ATOM 897 N ASN A 59 0.074 -8.782 -4.163 1.00 0.00 N ATOM 898 CA ASN A 59 0.222 -9.466 -2.890 1.00 0.00 C ATOM 899 C ASN A 59 1.618 -10.076 -2.747 1.00 0.00 C ATOM 900 O ASN A 59 1.931 -11.057 -3.427 1.00 0.00 O ATOM 901 CB ASN A 59 -0.847 -10.540 -2.739 1.00 0.00 C ATOM 902 CG ASN A 59 -0.736 -11.098 -1.332 1.00 0.00 C ATOM 903 OD1 ASN A 59 0.022 -12.028 -1.090 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.436 -10.508 -0.378 1.00 0.00 N ATOM 0 H ASN A 59 -0.422 -9.320 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 59 0.096 -8.730 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.839 -10.121 -2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.705 -11.329 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.351 -10.826 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.060 -9.735 -0.608 1.00 0.00 H new ATOM 911 N ILE A 60 2.452 -9.516 -1.865 1.00 0.00 N ATOM 912 CA ILE A 60 3.815 -9.991 -1.662 1.00 0.00 C ATOM 913 C ILE A 60 3.885 -11.330 -0.927 1.00 0.00 C ATOM 914 O ILE A 60 4.852 -12.059 -1.110 1.00 0.00 O ATOM 915 CB ILE A 60 4.724 -8.934 -1.008 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.365 -8.613 0.454 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.745 -7.662 -1.862 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.575 -8.077 1.223 1.00 0.00 C ATOM 0 H ILE A 60 2.198 -8.723 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 60 4.206 -10.170 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 60 5.723 -9.369 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.561 -7.877 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.990 -9.512 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.390 -6.919 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.126 -7.897 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.734 -7.263 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.286 -7.861 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.369 -8.824 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.933 -7.164 0.747 1.00 0.00 H new ATOM 930 N ASP A 61 2.886 -11.685 -0.109 1.00 0.00 N ATOM 931 CA ASP A 61 2.923 -12.974 0.583 1.00 0.00 C ATOM 932 C ASP A 61 2.936 -14.086 -0.466 1.00 0.00 C ATOM 933 O ASP A 61 3.744 -15.008 -0.410 1.00 0.00 O ATOM 934 CB ASP A 61 1.735 -13.141 1.542 1.00 0.00 C ATOM 935 CG ASP A 61 1.755 -12.141 2.692 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.813 -12.040 3.352 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.706 -11.496 2.905 1.00 0.00 O ATOM 0 H ASP A 61 2.064 -11.113 0.085 1.00 0.00 H new ATOM 0 HA ASP A 61 3.825 -13.025 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.806 -13.027 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.741 -14.153 1.947 1.00 0.00 H new ATOM 942 N GLN A 62 2.033 -13.966 -1.437 1.00 0.00 N ATOM 943 CA GLN A 62 1.907 -14.866 -2.563 1.00 0.00 C ATOM 944 C GLN A 62 3.089 -14.677 -3.520 1.00 0.00 C ATOM 945 O GLN A 62 3.579 -15.648 -4.091 1.00 0.00 O ATOM 946 CB GLN A 62 0.579 -14.559 -3.267 1.00 0.00 C ATOM 947 CG GLN A 62 -0.625 -14.833 -2.356 1.00 0.00 C ATOM 948 CD GLN A 62 -1.905 -14.218 -2.918 1.00 0.00 C ATOM 949 OE1 GLN A 62 -2.176 -14.320 -4.110 1.00 0.00 O ATOM 950 NE2 GLN A 62 -2.699 -13.553 -2.082 1.00 0.00 N ATOM 0 H GLN A 62 1.348 -13.210 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 62 1.915 -15.903 -2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.567 -13.515 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.497 -15.165 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.758 -15.909 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.431 -14.427 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.454 -13.481 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.553 -13.115 -2.429 1.00 0.00 H new ATOM 959 N ASN A 63 3.528 -13.427 -3.719 1.00 0.00 N ATOM 960 CA ASN A 63 4.597 -13.070 -4.654 1.00 0.00 C ATOM 961 C ASN A 63 5.787 -12.434 -3.929 1.00 0.00 C ATOM 962 O ASN A 63 6.010 -11.229 -4.068 1.00 0.00 O ATOM 963 CB ASN A 63 4.035 -12.104 -5.703 1.00 0.00 C ATOM 964 CG ASN A 63 2.837 -12.694 -6.426 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.989 -13.368 -7.438 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.634 -12.425 -5.933 1.00 0.00 N ATOM 0 H ASN A 63 3.142 -12.623 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 63 4.959 -13.977 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.745 -11.171 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.813 -11.860 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.800 -12.783 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.544 -11.861 -5.088 1.00 0.00 H new ATOM 973 N PRO A 64 6.571 -13.213 -3.166 1.00 0.00 N ATOM 974 CA PRO A 64 7.682 -12.678 -2.402 1.00 0.00 C ATOM 975 C PRO A 64 8.731 -12.014 -3.288 1.00 0.00 C ATOM 976 O PRO A 64 9.068 -10.863 -3.041 1.00 0.00 O ATOM 977 CB PRO A 64 8.239 -13.846 -1.582 1.00 0.00 C ATOM 978 CG PRO A 64 7.760 -15.090 -2.330 1.00 0.00 C ATOM 979 CD PRO A 64 6.428 -14.640 -2.934 1.00 0.00 C ATOM 0 HA PRO A 64 7.353 -11.875 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.327 -13.810 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.865 -13.828 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.469 -15.396 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.632 -15.939 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.219 -15.170 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.600 -14.847 -2.256 1.00 0.00 H new ATOM 987 N GLY A 65 9.239 -12.727 -4.299 1.00 0.00 N ATOM 988 CA GLY A 65 10.287 -12.272 -5.215 1.00 0.00 C ATOM 989 C GLY A 65 10.205 -10.789 -5.585 1.00 0.00 C ATOM 990 O GLY A 65 11.197 -10.063 -5.514 1.00 0.00 O ATOM 0 H GLY A 65 8.918 -13.672 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.259 -12.467 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.237 -12.865 -6.128 1.00 0.00 H new ATOM 994 N THR A 66 9.018 -10.334 -5.980 1.00 0.00 N ATOM 995 CA THR A 66 8.757 -8.960 -6.368 1.00 0.00 C ATOM 996 C THR A 66 9.232 -7.937 -5.322 1.00 0.00 C ATOM 997 O THR A 66 9.694 -6.857 -5.692 1.00 0.00 O ATOM 998 CB THR A 66 7.266 -8.827 -6.736 1.00 0.00 C ATOM 999 OG1 THR A 66 6.566 -10.034 -6.463 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.129 -8.535 -8.233 1.00 0.00 C ATOM 0 H THR A 66 8.193 -10.931 -6.039 1.00 0.00 H new ATOM 0 HA THR A 66 9.352 -8.717 -7.249 1.00 0.00 H new ATOM 0 HB THR A 66 6.846 -8.016 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.513 -10.169 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.074 -8.441 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.644 -7.604 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.571 -9.351 -8.805 1.00 0.00 H new ATOM 1008 N ALA A 67 9.151 -8.259 -4.027 1.00 0.00 N ATOM 1009 CA ALA A 67 9.577 -7.354 -2.967 1.00 0.00 C ATOM 1010 C ALA A 67 11.056 -6.951 -3.091 1.00 0.00 C ATOM 1011 O ALA A 67 11.318 -5.785 -3.389 1.00 0.00 O ATOM 1012 CB ALA A 67 9.173 -7.892 -1.587 1.00 0.00 C ATOM 0 H ALA A 67 8.789 -9.151 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 67 9.039 -6.414 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.503 -7.197 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.089 -7.998 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.640 -8.864 -1.424 1.00 0.00 H new ATOM 1018 N PRO A 68 12.039 -7.849 -2.892 1.00 0.00 N ATOM 1019 CA PRO A 68 13.439 -7.497 -3.049 1.00 0.00 C ATOM 1020 C PRO A 68 13.729 -7.027 -4.475 1.00 0.00 C ATOM 1021 O PRO A 68 14.499 -6.083 -4.639 1.00 0.00 O ATOM 1022 CB PRO A 68 14.248 -8.740 -2.666 1.00 0.00 C ATOM 1023 CG PRO A 68 13.266 -9.887 -2.889 1.00 0.00 C ATOM 1024 CD PRO A 68 11.927 -9.248 -2.525 1.00 0.00 C ATOM 0 HA PRO A 68 13.715 -6.661 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.138 -8.847 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.585 -8.696 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.281 -10.240 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.492 -10.745 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.107 -9.727 -3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.719 -9.357 -1.461 1.00 0.00 H new ATOM 1032 N LYS A 69 13.108 -7.634 -5.502 1.00 0.00 N ATOM 1033 CA LYS A 69 13.321 -7.205 -6.884 1.00 0.00 C ATOM 1034 C LYS A 69 13.113 -5.695 -7.042 1.00 0.00 C ATOM 1035 O LYS A 69 13.852 -5.059 -7.791 1.00 0.00 O ATOM 1036 CB LYS A 69 12.399 -7.955 -7.852 1.00 0.00 C ATOM 1037 CG LYS A 69 12.845 -9.398 -8.112 1.00 0.00 C ATOM 1038 CD LYS A 69 11.788 -10.105 -8.971 1.00 0.00 C ATOM 1039 CE LYS A 69 12.145 -11.573 -9.205 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.104 -12.251 -9.998 1.00 0.00 N ATOM 0 H LYS A 69 12.461 -8.416 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 69 14.356 -7.443 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.386 -7.961 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.361 -7.417 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.809 -9.407 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.977 -9.926 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.817 -10.040 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.696 -9.595 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.102 -11.640 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.264 -12.079 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.291 -13.274 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.172 -12.076 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.113 -11.882 -10.970 1.00 0.00 H new ATOM 1054 N TYR A 70 12.123 -5.123 -6.345 1.00 0.00 N ATOM 1055 CA TYR A 70 11.841 -3.694 -6.399 1.00 0.00 C ATOM 1056 C TYR A 70 12.222 -2.985 -5.098 1.00 0.00 C ATOM 1057 O TYR A 70 11.765 -1.873 -4.842 1.00 0.00 O ATOM 1058 CB TYR A 70 10.386 -3.485 -6.833 1.00 0.00 C ATOM 1059 CG TYR A 70 10.220 -3.782 -8.307 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.669 -2.833 -9.244 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.989 -5.109 -8.718 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.938 -3.217 -10.567 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.339 -5.513 -10.016 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.862 -4.574 -10.924 1.00 0.00 C ATOM 1065 OH TYR A 70 11.295 -4.979 -12.149 1.00 0.00 O ATOM 0 H TYR A 70 11.498 -5.643 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 70 12.472 -3.220 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.731 -4.133 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.084 -2.458 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.807 -1.805 -8.944 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.542 -5.816 -8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.202 -2.475 -11.306 1.00 0.00 H new ATOM 0 HE2 TYR A 70 10.207 -6.542 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 70 11.173 -5.948 -12.235 1.00 0.00 H new ATOM 1075 N GLY A 71 13.090 -3.605 -4.296 1.00 0.00 N ATOM 1076 CA GLY A 71 13.599 -3.043 -3.057 1.00 0.00 C ATOM 1077 C GLY A 71 12.500 -2.536 -2.127 1.00 0.00 C ATOM 1078 O GLY A 71 12.668 -1.501 -1.486 1.00 0.00 O ATOM 0 H GLY A 71 13.463 -4.532 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.185 -3.800 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.276 -2.221 -3.290 1.00 0.00 H new ATOM 1082 N ILE A 72 11.381 -3.259 -2.025 1.00 0.00 N ATOM 1083 CA ILE A 72 10.310 -2.866 -1.111 1.00 0.00 C ATOM 1084 C ILE A 72 10.884 -2.783 0.305 1.00 0.00 C ATOM 1085 O ILE A 72 11.566 -3.702 0.761 1.00 0.00 O ATOM 1086 CB ILE A 72 9.110 -3.829 -1.219 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.128 -3.382 -2.316 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.302 -3.934 0.085 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.767 -3.210 -3.692 1.00 0.00 C ATOM 0 H ILE A 72 11.196 -4.109 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 72 9.924 -1.883 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 72 9.551 -4.798 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.324 -4.114 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.672 -2.438 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.472 -4.626 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.947 -4.299 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.913 -2.951 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.009 -2.894 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.551 -2.455 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.198 -4.158 -4.014 1.00 0.00 H new ATOM 1101 N ARG A 73 10.618 -1.660 0.974 1.00 0.00 N ATOM 1102 CA ARG A 73 11.073 -1.384 2.326 1.00 0.00 C ATOM 1103 C ARG A 73 10.057 -1.948 3.317 1.00 0.00 C ATOM 1104 O ARG A 73 10.418 -2.637 4.266 1.00 0.00 O ATOM 1105 CB ARG A 73 11.273 0.127 2.498 1.00 0.00 C ATOM 1106 CG ARG A 73 12.265 0.777 1.515 1.00 0.00 C ATOM 1107 CD ARG A 73 13.701 0.244 1.624 1.00 0.00 C ATOM 1108 NE ARG A 73 13.810 -1.096 1.033 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.592 -2.087 1.480 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.660 -1.817 2.238 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.280 -3.349 1.175 1.00 0.00 N ATOM 0 H ARG A 73 10.065 -0.901 0.575 1.00 0.00 H new ATOM 0 HA ARG A 73 12.032 -1.866 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.306 0.619 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.617 0.318 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.907 0.619 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.275 1.854 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.385 0.925 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.002 0.209 2.671 1.00 0.00 H new ATOM 0 HE ARG A 73 13.240 -1.289 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.883 -0.851 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.251 -2.577 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.455 -3.548 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.866 -4.114 1.508 1.00 0.00 H new ATOM 1125 N GLY A 74 8.776 -1.665 3.084 1.00 0.00 N ATOM 1126 CA GLY A 74 7.684 -2.152 3.900 1.00 0.00 C ATOM 1127 C GLY A 74 6.386 -1.847 3.167 1.00 0.00 C ATOM 1128 O GLY A 74 6.273 -0.803 2.524 1.00 0.00 O ATOM 0 H GLY A 74 8.471 -1.079 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.783 -3.224 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.693 -1.670 4.878 1.00 0.00 H new ATOM 1132 N ILE A 75 5.424 -2.765 3.245 1.00 0.00 N ATOM 1133 CA ILE A 75 4.127 -2.606 2.608 1.00 0.00 C ATOM 1134 C ILE A 75 3.168 -1.878 3.553 1.00 0.00 C ATOM 1135 O ILE A 75 3.328 -2.007 4.766 1.00 0.00 O ATOM 1136 CB ILE A 75 3.565 -3.951 2.121 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.080 -4.950 3.183 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.515 -4.604 1.109 1.00 0.00 C ATOM 1139 CD1 ILE A 75 4.120 -5.420 4.199 1.00 0.00 C ATOM 0 H ILE A 75 5.527 -3.642 3.755 1.00 0.00 H new ATOM 0 HA ILE A 75 4.248 -1.991 1.716 1.00 0.00 H new ATOM 0 HB ILE A 75 2.631 -3.671 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.252 -4.495 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.682 -5.826 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.097 -5.555 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.641 -3.945 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.483 -4.777 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.658 -6.121 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.941 -5.913 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.504 -4.562 4.750 1.00 0.00 H new ATOM 1151 N PRO A 76 2.164 -1.134 3.054 1.00 0.00 N ATOM 1152 CA PRO A 76 1.848 -0.891 1.654 1.00 0.00 C ATOM 1153 C PRO A 76 2.922 -0.033 0.978 1.00 0.00 C ATOM 1154 O PRO A 76 3.362 0.960 1.557 1.00 0.00 O ATOM 1155 CB PRO A 76 0.492 -0.180 1.657 1.00 0.00 C ATOM 1156 CG PRO A 76 0.450 0.511 3.017 1.00 0.00 C ATOM 1157 CD PRO A 76 1.204 -0.470 3.911 1.00 0.00 C ATOM 0 HA PRO A 76 1.813 -1.821 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.414 0.538 0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.331 -0.886 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.932 1.488 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.572 0.669 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.704 0.051 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.522 -1.190 4.363 1.00 0.00 H new ATOM 1165 N THR A 77 3.347 -0.420 -0.229 1.00 0.00 N ATOM 1166 CA THR A 77 4.341 0.326 -0.999 1.00 0.00 C ATOM 1167 C THR A 77 3.723 0.668 -2.354 1.00 0.00 C ATOM 1168 O THR A 77 3.512 -0.229 -3.167 1.00 0.00 O ATOM 1169 CB THR A 77 5.648 -0.463 -1.183 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.893 -1.345 -0.108 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.821 0.518 -1.281 1.00 0.00 C ATOM 0 H THR A 77 3.010 -1.261 -0.698 1.00 0.00 H new ATOM 0 HA THR A 77 4.607 1.232 -0.455 1.00 0.00 H new ATOM 0 HB THR A 77 5.549 -1.053 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.002 -0.830 0.719 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.750 -0.037 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.671 1.180 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.878 1.110 -0.367 1.00 0.00 H new ATOM 1179 N LEU A 78 3.423 1.946 -2.590 1.00 0.00 N ATOM 1180 CA LEU A 78 2.802 2.427 -3.812 1.00 0.00 C ATOM 1181 C LEU A 78 3.882 2.787 -4.838 1.00 0.00 C ATOM 1182 O LEU A 78 4.379 3.912 -4.831 1.00 0.00 O ATOM 1183 CB LEU A 78 1.918 3.648 -3.513 1.00 0.00 C ATOM 1184 CG LEU A 78 1.008 3.536 -2.281 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.049 4.729 -2.268 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.177 2.251 -2.268 1.00 0.00 C ATOM 0 H LEU A 78 3.612 2.688 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 78 2.173 1.639 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.564 4.517 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.293 3.841 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 78 1.653 3.522 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.604 4.662 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.621 5.655 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.555 4.720 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.446 2.229 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.458 2.220 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.842 1.388 -2.268 1.00 0.00 H new ATOM 1198 N LEU A 79 4.237 1.860 -5.731 1.00 0.00 N ATOM 1199 CA LEU A 79 5.190 2.126 -6.800 1.00 0.00 C ATOM 1200 C LEU A 79 4.387 2.578 -8.013 1.00 0.00 C ATOM 1201 O LEU A 79 3.627 1.798 -8.585 1.00 0.00 O ATOM 1202 CB LEU A 79 6.025 0.887 -7.151 1.00 0.00 C ATOM 1203 CG LEU A 79 7.222 0.664 -6.215 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.805 0.245 -4.807 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.170 -0.386 -6.800 1.00 0.00 C ATOM 0 H LEU A 79 3.871 0.908 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 79 5.895 2.893 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.383 0.007 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.388 0.982 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 79 7.732 1.624 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.693 0.102 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.180 1.021 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.244 -0.688 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.013 -0.532 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.637 -1.329 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.536 -0.046 -7.769 1.00 0.00 H new ATOM 1217 N LEU A 80 4.543 3.840 -8.401 1.00 0.00 N ATOM 1218 CA LEU A 80 3.834 4.411 -9.529 1.00 0.00 C ATOM 1219 C LEU A 80 4.674 4.198 -10.786 1.00 0.00 C ATOM 1220 O LEU A 80 5.571 4.983 -11.084 1.00 0.00 O ATOM 1221 CB LEU A 80 3.533 5.874 -9.201 1.00 0.00 C ATOM 1222 CG LEU A 80 2.665 6.598 -10.246 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.675 5.710 -11.012 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.844 7.654 -9.506 1.00 0.00 C ATOM 0 H LEU A 80 5.170 4.495 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 80 2.875 3.929 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.030 5.920 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.476 6.411 -9.096 1.00 0.00 H new ATOM 0 HG LEU A 80 3.356 6.998 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.114 6.318 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.222 4.936 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.985 5.244 -10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.214 8.189 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.216 7.169 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.515 8.358 -9.014 1.00 0.00 H new ATOM 1236 N PHE A 81 4.388 3.119 -11.514 1.00 0.00 N ATOM 1237 CA PHE A 81 5.085 2.720 -12.726 1.00 0.00 C ATOM 1238 C PHE A 81 4.484 3.412 -13.943 1.00 0.00 C ATOM 1239 O PHE A 81 3.423 3.003 -14.409 1.00 0.00 O ATOM 1240 CB PHE A 81 4.972 1.201 -12.905 1.00 0.00 C ATOM 1241 CG PHE A 81 5.959 0.393 -12.089 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.636 -0.019 -10.786 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.150 -0.055 -12.687 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.489 -0.899 -10.098 1.00 0.00 C ATOM 1245 CE2 PHE A 81 8.000 -0.937 -12.005 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.685 -1.330 -10.693 1.00 0.00 C ATOM 0 H PHE A 81 3.636 2.478 -11.262 1.00 0.00 H new ATOM 0 HA PHE A 81 6.132 3.009 -12.635 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.961 0.892 -12.638 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.111 0.962 -13.959 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.734 0.340 -10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.412 0.283 -13.679 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.224 -1.244 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.892 -1.312 -12.485 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.364 -1.964 -10.142 1.00 0.00 H new ATOM 1256 N LYS A 82 5.172 4.406 -14.502 1.00 0.00 N ATOM 1257 CA LYS A 82 4.764 5.052 -15.737 1.00 0.00 C ATOM 1258 C LYS A 82 5.510 4.359 -16.875 1.00 0.00 C ATOM 1259 O LYS A 82 6.722 4.508 -17.005 1.00 0.00 O ATOM 1260 CB LYS A 82 5.034 6.561 -15.685 1.00 0.00 C ATOM 1261 CG LYS A 82 4.101 7.241 -14.675 1.00 0.00 C ATOM 1262 CD LYS A 82 4.254 8.769 -14.679 1.00 0.00 C ATOM 1263 CE LYS A 82 3.561 9.421 -15.885 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.722 10.886 -15.870 1.00 0.00 N ATOM 0 H LYS A 82 6.032 4.784 -14.105 1.00 0.00 H new ATOM 0 HA LYS A 82 3.690 4.955 -15.895 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.073 6.741 -15.407 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.888 6.996 -16.674 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.068 6.981 -14.905 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.311 6.859 -13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.836 9.176 -13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.313 9.026 -14.689 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.977 9.017 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.500 9.170 -15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.107 11.310 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.459 11.255 -14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.713 11.128 -16.072 1.00 0.00 H new ATOM 1278 N ASN A 83 4.789 3.573 -17.680 1.00 0.00 N ATOM 1279 CA ASN A 83 5.345 2.841 -18.813 1.00 0.00 C ATOM 1280 C ASN A 83 6.592 2.053 -18.392 1.00 0.00 C ATOM 1281 O ASN A 83 7.662 2.180 -18.985 1.00 0.00 O ATOM 1282 CB ASN A 83 5.608 3.816 -19.974 1.00 0.00 C ATOM 1283 CG ASN A 83 5.735 3.119 -21.329 1.00 0.00 C ATOM 1284 OD1 ASN A 83 4.888 3.300 -22.197 1.00 0.00 O ATOM 1285 ND2 ASN A 83 6.791 2.343 -21.541 1.00 0.00 N ATOM 0 H ASN A 83 3.787 3.428 -17.558 1.00 0.00 H new ATOM 0 HA ASN A 83 4.627 2.101 -19.166 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.797 4.542 -20.021 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.523 4.373 -19.772 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.912 1.881 -22.442 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.482 2.209 -20.802 1.00 0.00 H new ATOM 1292 N GLY A 84 6.465 1.252 -17.330 1.00 0.00 N ATOM 1293 CA GLY A 84 7.562 0.443 -16.819 1.00 0.00 C ATOM 1294 C GLY A 84 8.567 1.214 -15.959 1.00 0.00 C ATOM 1295 O GLY A 84 9.329 0.585 -15.227 1.00 0.00 O ATOM 0 H GLY A 84 5.597 1.150 -16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.150 -0.376 -16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.090 -0.005 -17.661 1.00 0.00 H new ATOM 1299 N GLU A 85 8.585 2.552 -16.003 1.00 0.00 N ATOM 1300 CA GLU A 85 9.520 3.348 -15.222 1.00 0.00 C ATOM 1301 C GLU A 85 8.880 3.774 -13.902 1.00 0.00 C ATOM 1302 O GLU A 85 7.883 4.494 -13.902 1.00 0.00 O ATOM 1303 CB GLU A 85 9.953 4.576 -16.029 1.00 0.00 C ATOM 1304 CG GLU A 85 10.708 4.159 -17.293 1.00 0.00 C ATOM 1305 CD GLU A 85 11.044 5.366 -18.162 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.035 6.047 -17.822 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.299 5.592 -19.141 1.00 0.00 O ATOM 0 H GLU A 85 7.952 3.105 -16.581 1.00 0.00 H new ATOM 0 HA GLU A 85 10.400 2.745 -14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.077 5.165 -16.301 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.588 5.214 -15.415 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.626 3.641 -17.016 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.104 3.454 -17.864 1.00 0.00 H new ATOM 1314 N VAL A 86 9.464 3.355 -12.778 1.00 0.00 N ATOM 1315 CA VAL A 86 9.006 3.778 -11.460 1.00 0.00 C ATOM 1316 C VAL A 86 9.196 5.298 -11.360 1.00 0.00 C ATOM 1317 O VAL A 86 10.323 5.774 -11.247 1.00 0.00 O ATOM 1318 CB VAL A 86 9.775 3.027 -10.356 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.393 3.547 -8.977 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.465 1.529 -10.388 1.00 0.00 C ATOM 0 H VAL A 86 10.261 2.718 -12.758 1.00 0.00 H new ATOM 0 HA VAL A 86 7.952 3.539 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 86 10.836 3.194 -10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.949 3.001 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.632 4.608 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.324 3.405 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.022 1.025 -9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.397 1.375 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.755 1.118 -11.355 1.00 0.00 H new ATOM 1330 N ALA A 87 8.100 6.059 -11.414 1.00 0.00 N ATOM 1331 CA ALA A 87 8.117 7.513 -11.353 1.00 0.00 C ATOM 1332 C ALA A 87 8.277 7.979 -9.907 1.00 0.00 C ATOM 1333 O ALA A 87 9.040 8.902 -9.632 1.00 0.00 O ATOM 1334 CB ALA A 87 6.821 8.060 -11.959 1.00 0.00 C ATOM 0 H ALA A 87 7.161 5.670 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 87 8.964 7.892 -11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.830 9.149 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.741 7.739 -12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.968 7.681 -11.396 1.00 0.00 H new ATOM 1340 N ALA A 88 7.565 7.333 -8.980 1.00 0.00 N ATOM 1341 CA ALA A 88 7.622 7.638 -7.561 1.00 0.00 C ATOM 1342 C ALA A 88 7.260 6.381 -6.779 1.00 0.00 C ATOM 1343 O ALA A 88 6.576 5.502 -7.311 1.00 0.00 O ATOM 1344 CB ALA A 88 6.673 8.789 -7.223 1.00 0.00 C ATOM 0 H ALA A 88 6.924 6.572 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 88 8.629 7.955 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.728 9.005 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.961 9.676 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.653 8.508 -7.484 1.00 0.00 H new ATOM 1350 N THR A 89 7.739 6.291 -5.537 1.00 0.00 N ATOM 1351 CA THR A 89 7.544 5.142 -4.669 1.00 0.00 C ATOM 1352 C THR A 89 7.102 5.634 -3.291 1.00 0.00 C ATOM 1353 O THR A 89 7.904 6.257 -2.597 1.00 0.00 O ATOM 1354 CB THR A 89 8.869 4.360 -4.595 1.00 0.00 C ATOM 1355 OG1 THR A 89 9.893 5.109 -3.969 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.378 4.011 -5.982 1.00 0.00 C ATOM 0 H THR A 89 8.285 7.035 -5.102 1.00 0.00 H new ATOM 0 HA THR A 89 6.770 4.478 -5.055 1.00 0.00 H new ATOM 0 HB THR A 89 8.648 3.462 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.494 5.756 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.314 3.459 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.640 3.396 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.546 4.927 -6.549 1.00 0.00 H new ATOM 1364 N LYS A 90 5.856 5.376 -2.887 1.00 0.00 N ATOM 1365 CA LYS A 90 5.344 5.829 -1.600 1.00 0.00 C ATOM 1366 C LYS A 90 5.301 4.662 -0.617 1.00 0.00 C ATOM 1367 O LYS A 90 4.512 3.739 -0.788 1.00 0.00 O ATOM 1368 CB LYS A 90 3.974 6.500 -1.784 1.00 0.00 C ATOM 1369 CG LYS A 90 3.723 7.589 -0.737 1.00 0.00 C ATOM 1370 CD LYS A 90 3.346 7.011 0.634 1.00 0.00 C ATOM 1371 CE LYS A 90 3.335 8.084 1.726 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.085 7.478 3.046 1.00 0.00 N ATOM 0 H LYS A 90 5.181 4.850 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 90 6.012 6.580 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.915 6.936 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.189 5.746 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.618 8.203 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.924 8.244 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.362 6.546 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.053 6.227 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.290 8.610 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.565 8.824 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.345 8.153 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.077 7.237 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.657 6.615 3.146 1.00 0.00 H new ATOM 1386 N VAL A 91 6.131 4.718 0.425 1.00 0.00 N ATOM 1387 CA VAL A 91 6.157 3.718 1.481 1.00 0.00 C ATOM 1388 C VAL A 91 5.145 4.149 2.550 1.00 0.00 C ATOM 1389 O VAL A 91 5.234 5.268 3.058 1.00 0.00 O ATOM 1390 CB VAL A 91 7.578 3.619 2.069 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.682 2.446 3.053 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.650 3.444 0.983 1.00 0.00 C ATOM 0 H VAL A 91 6.809 5.468 0.557 1.00 0.00 H new ATOM 0 HA VAL A 91 5.891 2.733 1.097 1.00 0.00 H new ATOM 0 HB VAL A 91 7.759 4.561 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.694 2.397 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.974 2.592 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.451 1.515 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.633 3.379 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.454 2.530 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.625 4.298 0.306 1.00 0.00 H new ATOM 1402 N GLY A 92 4.188 3.286 2.892 1.00 0.00 N ATOM 1403 CA GLY A 92 3.191 3.568 3.914 1.00 0.00 C ATOM 1404 C GLY A 92 1.863 4.056 3.335 1.00 0.00 C ATOM 1405 O GLY A 92 1.735 4.308 2.139 1.00 0.00 O ATOM 0 H GLY A 92 4.086 2.367 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.016 2.667 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.582 4.322 4.597 1.00 0.00 H new ATOM 1409 N ALA A 93 0.862 4.162 4.215 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.492 4.573 3.868 1.00 0.00 C ATOM 1411 C ALA A 93 -0.577 6.065 3.525 1.00 0.00 C ATOM 1412 O ALA A 93 0.388 6.807 3.690 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.430 4.217 5.028 1.00 0.00 C ATOM 0 H ALA A 93 0.978 3.959 5.208 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.798 4.038 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.447 4.520 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.404 3.141 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.107 4.737 5.930 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.755 6.491 3.059 1.00 0.00 N ATOM 1420 CA LEU A 94 -2.072 7.855 2.662 1.00 0.00 C ATOM 1421 C LEU A 94 -3.562 8.095 2.881 1.00 0.00 C ATOM 1422 O LEU A 94 -4.342 7.144 2.898 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.818 8.012 1.156 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.413 8.504 0.801 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.103 8.083 -0.632 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.377 10.031 0.849 1.00 0.00 C ATOM 0 H LEU A 94 -2.548 5.859 2.945 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.463 8.550 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.988 7.052 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.549 8.710 0.747 1.00 0.00 H new ATOM 0 HG LEU A 94 0.307 8.086 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.896 8.425 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.148 6.997 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.835 8.526 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.624 10.379 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.093 10.435 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.636 10.370 1.852 1.00 0.00 H new ATOM 1438 N SER A 95 -3.954 9.368 2.963 1.00 0.00 N ATOM 1439 CA SER A 95 -5.342 9.793 2.989 1.00 0.00 C ATOM 1440 C SER A 95 -5.734 10.047 1.529 1.00 0.00 C ATOM 1441 O SER A 95 -4.870 10.346 0.700 1.00 0.00 O ATOM 1442 CB SER A 95 -5.452 11.055 3.848 1.00 0.00 C ATOM 1443 OG SER A 95 -4.444 11.976 3.477 1.00 0.00 O ATOM 0 H SER A 95 -3.295 10.145 3.014 1.00 0.00 H new ATOM 0 HA SER A 95 -6.011 9.051 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.435 11.508 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.353 10.798 4.903 1.00 0.00 H new ATOM 0 HG SER A 95 -4.519 12.783 4.028 1.00 0.00 H new ATOM 1449 N LYS A 96 -7.022 9.909 1.190 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.459 10.052 -0.194 1.00 0.00 C ATOM 1451 C LYS A 96 -6.983 11.365 -0.822 1.00 0.00 C ATOM 1452 O LYS A 96 -6.451 11.349 -1.925 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.976 9.849 -0.334 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.316 9.507 -1.795 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.746 8.991 -1.990 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.795 10.096 -1.826 1.00 0.00 C ATOM 1457 NZ LYS A 96 -13.143 9.597 -2.152 1.00 0.00 N ATOM 0 H LYS A 96 -7.769 9.700 1.852 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.981 9.255 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.309 9.047 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.504 10.752 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.173 10.396 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.615 8.754 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.838 8.551 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.944 8.197 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.779 10.468 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.548 10.936 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.835 10.364 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.161 9.264 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.385 8.811 -1.516 1.00 0.00 H new ATOM 1471 N GLY A 97 -7.150 12.496 -0.133 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.725 13.793 -0.649 1.00 0.00 C ATOM 1473 C GLY A 97 -5.240 13.806 -1.028 1.00 0.00 C ATOM 1474 O GLY A 97 -4.877 14.155 -2.151 1.00 0.00 O ATOM 0 H GLY A 97 -7.580 12.536 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.324 14.048 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.914 14.560 0.102 1.00 0.00 H new ATOM 1478 N GLN A 98 -4.375 13.410 -0.089 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.941 13.363 -0.317 1.00 0.00 C ATOM 1480 C GLN A 98 -2.617 12.410 -1.466 1.00 0.00 C ATOM 1481 O GLN A 98 -1.801 12.731 -2.329 1.00 0.00 O ATOM 1482 CB GLN A 98 -2.235 12.939 0.976 1.00 0.00 C ATOM 1483 CG GLN A 98 -2.376 13.957 2.114 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.624 15.255 1.831 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -0.458 15.389 2.183 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -2.277 16.223 1.195 1.00 0.00 N ATOM 0 H GLN A 98 -4.656 13.115 0.846 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.583 14.353 -0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.640 11.981 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.176 12.783 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.432 14.179 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.002 13.518 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.247 16.084 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.807 17.105 0.988 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.263 11.243 -1.492 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.059 10.278 -2.556 1.00 0.00 C ATOM 1497 C LEU A 99 -3.436 10.904 -3.903 1.00 0.00 C ATOM 1498 O LEU A 99 -2.631 10.879 -4.828 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.828 8.992 -2.229 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.735 7.874 -3.277 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.301 7.493 -3.661 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.407 6.630 -2.689 1.00 0.00 C ATOM 0 H LEU A 99 -3.933 10.949 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.008 10.000 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.463 8.604 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.879 9.245 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.219 8.243 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.323 6.697 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.792 8.363 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.767 7.147 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.358 5.815 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.892 6.336 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.450 6.852 -2.463 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.619 11.510 -4.017 1.00 0.00 N ATOM 1515 CA LYS A 100 -5.040 12.182 -5.241 1.00 0.00 C ATOM 1516 C LYS A 100 -4.006 13.221 -5.671 1.00 0.00 C ATOM 1517 O LYS A 100 -3.637 13.270 -6.843 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.426 12.823 -5.073 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.522 11.752 -5.039 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.906 12.261 -5.459 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.583 13.184 -4.439 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.016 14.546 -4.448 1.00 0.00 N ATOM 0 H LYS A 100 -5.307 11.547 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.115 11.431 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.453 13.406 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.613 13.515 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.234 10.931 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.587 11.345 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.811 12.794 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.554 11.404 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.650 13.237 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.479 12.757 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.746 15.228 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.216 14.594 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.685 14.778 -5.406 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.529 14.039 -4.727 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.511 15.041 -5.005 1.00 0.00 C ATOM 1538 C GLU A 101 -1.253 14.373 -5.579 1.00 0.00 C ATOM 1539 O GLU A 101 -0.778 14.753 -6.647 1.00 0.00 O ATOM 1540 CB GLU A 101 -2.235 15.835 -3.722 1.00 0.00 C ATOM 1541 CG GLU A 101 -1.268 17.003 -3.930 1.00 0.00 C ATOM 1542 CD GLU A 101 -1.810 18.037 -4.913 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -2.743 18.765 -4.509 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -1.292 18.070 -6.049 1.00 0.00 O ATOM 0 H GLU A 101 -3.840 14.021 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.858 15.743 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.177 16.218 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.825 15.163 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.072 17.484 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.315 16.622 -4.296 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.727 13.359 -4.883 1.00 0.00 N ATOM 1552 CA PHE A 102 0.441 12.590 -5.309 1.00 0.00 C ATOM 1553 C PHE A 102 0.246 12.074 -6.739 1.00 0.00 C ATOM 1554 O PHE A 102 1.104 12.247 -7.607 1.00 0.00 O ATOM 1555 CB PHE A 102 0.672 11.434 -4.324 1.00 0.00 C ATOM 1556 CG PHE A 102 1.707 10.405 -4.748 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.068 10.597 -4.447 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.295 9.214 -5.376 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.004 9.587 -4.736 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.233 8.212 -5.680 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.586 8.391 -5.347 1.00 0.00 C ATOM 0 H PHE A 102 -1.111 13.046 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 102 1.323 13.230 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.975 11.853 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.277 10.923 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.395 11.521 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.254 9.070 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.045 9.730 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.913 7.304 -6.170 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.303 7.612 -5.560 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.898 11.435 -6.983 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.233 10.886 -8.284 1.00 0.00 C ATOM 1573 C LEU A 103 -1.247 11.985 -9.335 1.00 0.00 C ATOM 1574 O LEU A 103 -0.596 11.841 -10.364 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.576 10.156 -8.218 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.502 8.911 -7.329 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.911 8.377 -7.086 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.590 7.842 -7.928 1.00 0.00 C ATOM 0 H LEU A 103 -1.618 11.286 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.471 10.162 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.339 10.833 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.883 9.867 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.061 9.190 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.860 7.491 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.510 9.142 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.371 8.116 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.564 6.975 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.972 7.544 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.583 8.244 -8.039 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.960 13.084 -9.084 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.019 14.206 -10.010 1.00 0.00 C ATOM 1592 C ASP A 104 -0.609 14.697 -10.337 1.00 0.00 C ATOM 1593 O ASP A 104 -0.256 14.828 -11.507 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.880 15.331 -9.426 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.962 16.501 -10.398 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.832 16.431 -11.293 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.150 17.437 -10.235 1.00 0.00 O ATOM 0 H ASP A 104 -2.510 13.217 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.483 13.876 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.881 14.957 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.457 15.666 -8.479 1.00 0.00 H new ATOM 1602 N ALA A 105 0.197 14.943 -9.303 1.00 0.00 N ATOM 1603 CA ALA A 105 1.572 15.400 -9.448 1.00 0.00 C ATOM 1604 C ALA A 105 2.393 14.449 -10.325 1.00 0.00 C ATOM 1605 O ALA A 105 3.212 14.902 -11.122 1.00 0.00 O ATOM 1606 CB ALA A 105 2.208 15.566 -8.066 1.00 0.00 C ATOM 0 H ALA A 105 -0.094 14.828 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 105 1.564 16.367 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.237 15.908 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.642 16.299 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.198 14.609 -7.544 1.00 0.00 H new ATOM 1612 N ASN A 106 2.172 13.137 -10.198 1.00 0.00 N ATOM 1613 CA ASN A 106 2.922 12.152 -10.971 1.00 0.00 C ATOM 1614 C ASN A 106 2.392 12.070 -12.401 1.00 0.00 C ATOM 1615 O ASN A 106 3.177 12.023 -13.343 1.00 0.00 O ATOM 1616 CB ASN A 106 2.816 10.766 -10.326 1.00 0.00 C ATOM 1617 CG ASN A 106 3.861 10.540 -9.241 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.927 10.001 -9.514 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.561 10.921 -8.005 1.00 0.00 N ATOM 0 H ASN A 106 1.479 12.736 -9.566 1.00 0.00 H new ATOM 0 HA ASN A 106 3.965 12.470 -10.987 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.821 10.645 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.927 10.002 -11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.227 10.768 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.664 11.367 -7.812 1.00 0.00 H new ATOM 1626 N LEU A 107 1.068 12.047 -12.578 1.00 0.00 N ATOM 1627 CA LEU A 107 0.436 11.987 -13.886 1.00 0.00 C ATOM 1628 C LEU A 107 0.861 13.209 -14.700 1.00 0.00 C ATOM 1629 O LEU A 107 1.290 13.078 -15.845 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.088 11.911 -13.713 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.561 10.546 -13.179 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -2.981 10.674 -12.620 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.555 9.478 -14.281 1.00 0.00 C ATOM 0 H LEU A 107 0.403 12.070 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 107 0.751 11.095 -14.427 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.411 12.695 -13.028 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.568 12.107 -14.672 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.870 10.239 -12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.312 9.706 -12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.988 11.401 -11.808 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.655 11.006 -13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.894 8.528 -13.869 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.223 9.783 -15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.544 9.364 -14.671 1.00 0.00 H new ATOM 1645 N ALA A 108 0.775 14.397 -14.096 1.00 0.00 N ATOM 1646 CA ALA A 108 1.196 15.639 -14.723 1.00 0.00 C ATOM 1647 C ALA A 108 2.688 15.573 -15.045 1.00 0.00 C ATOM 1648 O ALA A 108 3.201 16.398 -15.800 1.00 0.00 O ATOM 1649 CB ALA A 108 0.886 16.812 -13.791 1.00 0.00 C ATOM 0 H ALA A 108 0.408 14.518 -13.152 1.00 0.00 H new ATOM 0 HA ALA A 108 0.652 15.786 -15.656 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.202 17.743 -14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.186 16.849 -13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.421 16.681 -12.850 1.00 0.00 H new TER 1655 ALA A 108