USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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: C 81 MET CE :methyl -139:sc= -1.28 (180deg=-2.21!) USER MOD Set 1.2: I 121 MET CE :methyl 158:sc= -1.46 (180deg=-3.8!) USER MOD Set 2.1: C 69 SER OG : rot -117:sc= 0.472 USER MOD Set 2.2: C 71 THR OG1 : rot -160:sc= -0.857 USER MOD Single : C 1 MET CE :methyl 154:sc= -0.0771 (180deg=-0.828) USER MOD Single : C 1 MET N :NH3+ -179:sc= -1.47 (180deg=-1.47) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.49) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.105 USER MOD Single : C 16 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.4) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -81:sc= 0.11 USER MOD Single : C 37 SER OG : rot -60:sc= 1.13 USER MOD Single : C 38 THR OG1 : rot -79:sc= -0.207! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -158:sc= -0.225 (180deg=-1.29) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : C 51 ASN : amide:sc= -1.44! C(o=-1.4!,f=-0.95!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.325 USER MOD Single : C 58 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : C 60 MET CE :methyl -163:sc= -7.56! (180deg=-9.07!) USER MOD Single : C 80 MET CE :methyl -173:sc= 0 (180deg=-0.0663) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 171:sc= -0.0165 (180deg=-0.109) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.189 -13.868 22.103 1.00 0.00 N ATOM 2 CA MET C 1 56.659 -13.039 20.984 1.00 0.00 C ATOM 3 C MET C 1 56.632 -13.871 19.706 1.00 0.00 C ATOM 4 O MET C 1 56.927 -15.066 19.726 1.00 0.00 O ATOM 5 CB MET C 1 57.556 -11.815 20.791 1.00 0.00 C ATOM 6 CG MET C 1 58.690 -11.846 21.817 1.00 0.00 C ATOM 7 SD MET C 1 59.765 -10.410 21.573 1.00 0.00 S ATOM 8 CE MET C 1 58.625 -9.161 22.218 1.00 0.00 C ATOM 0 H1 MET C 1 57.192 -13.307 22.979 1.00 0.00 H new ATOM 0 H2 MET C 1 56.586 -14.706 22.230 1.00 0.00 H new ATOM 0 H3 MET C 1 58.159 -14.170 21.882 1.00 0.00 H new ATOM 0 HA MET C 1 55.647 -12.709 21.217 1.00 0.00 H new ATOM 0 HB2 MET C 1 57.965 -11.807 19.781 1.00 0.00 H new ATOM 0 HB3 MET C 1 56.972 -10.902 20.906 1.00 0.00 H new ATOM 0 HG2 MET C 1 58.281 -11.840 22.827 1.00 0.00 H new ATOM 0 HG3 MET C 1 59.265 -12.766 21.712 1.00 0.00 H new ATOM 0 HE1 MET C 1 59.193 -8.310 22.594 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.959 -8.830 21.421 1.00 0.00 H new ATOM 0 HE3 MET C 1 58.036 -9.590 23.028 1.00 0.00 H new ATOM 20 N ASP C 2 56.275 -13.231 18.597 1.00 0.00 N ATOM 21 CA ASP C 2 56.212 -13.923 17.315 1.00 0.00 C ATOM 22 C ASP C 2 56.625 -12.989 16.182 1.00 0.00 C ATOM 23 O ASP C 2 57.232 -11.944 16.416 1.00 0.00 O ATOM 24 CB ASP C 2 54.792 -14.434 17.066 1.00 0.00 C ATOM 25 CG ASP C 2 54.410 -15.453 18.135 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.298 -16.131 18.623 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.235 -15.538 18.450 1.00 0.00 O ATOM 0 H ASP C 2 56.027 -12.242 18.560 1.00 0.00 H new ATOM 0 HA ASP C 2 56.901 -14.767 17.345 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.089 -13.601 17.078 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.729 -14.890 16.078 1.00 0.00 H new ATOM 32 N ASP C 3 56.290 -13.372 14.954 1.00 0.00 N ATOM 33 CA ASP C 3 56.631 -12.561 13.791 1.00 0.00 C ATOM 34 C ASP C 3 55.375 -12.190 13.010 1.00 0.00 C ATOM 35 O ASP C 3 54.964 -12.909 12.099 1.00 0.00 O ATOM 36 CB ASP C 3 57.592 -13.329 12.882 1.00 0.00 C ATOM 37 CG ASP C 3 58.587 -14.120 13.725 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.145 -13.544 14.643 1.00 0.00 O ATOM 39 OD2 ASP C 3 58.774 -15.292 13.439 1.00 0.00 O ATOM 0 H ASP C 3 55.786 -14.233 14.739 1.00 0.00 H new ATOM 0 HA ASP C 3 57.113 -11.647 14.138 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.032 -14.005 12.236 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.124 -12.634 12.232 1.00 0.00 H new ATOM 44 N ILE C 4 54.769 -11.064 13.372 1.00 0.00 N ATOM 45 CA ILE C 4 53.560 -10.607 12.697 1.00 0.00 C ATOM 46 C ILE C 4 53.904 -9.964 11.357 1.00 0.00 C ATOM 47 O ILE C 4 53.028 -9.740 10.522 1.00 0.00 O ATOM 48 CB ILE C 4 52.822 -9.597 13.575 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.437 -10.259 14.900 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.557 -9.123 12.857 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.913 -9.198 15.869 1.00 0.00 C ATOM 0 H ILE C 4 55.092 -10.455 14.124 1.00 0.00 H new ATOM 0 HA ILE C 4 52.918 -11.470 12.518 1.00 0.00 H new ATOM 0 HB ILE C 4 53.471 -8.743 13.769 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.675 -11.020 14.730 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.301 -10.764 15.331 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.031 -8.403 13.484 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.830 -8.652 11.913 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.908 -9.977 12.662 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.639 -9.670 16.812 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.689 -8.454 16.048 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.037 -8.713 15.438 1.00 0.00 H new ATOM 63 N TYR C 5 55.185 -9.671 11.159 1.00 0.00 N ATOM 64 CA TYR C 5 55.634 -9.054 9.916 1.00 0.00 C ATOM 65 C TYR C 5 56.204 -10.106 8.971 1.00 0.00 C ATOM 66 O TYR C 5 55.817 -10.182 7.805 1.00 0.00 O ATOM 67 CB TYR C 5 56.702 -7.999 10.213 1.00 0.00 C ATOM 68 CG TYR C 5 57.561 -8.463 11.365 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.112 -8.304 12.681 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.807 -9.051 11.116 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.909 -8.734 13.749 1.00 0.00 C ATOM 72 CE2 TYR C 5 59.604 -9.480 12.184 1.00 0.00 C ATOM 73 CZ TYR C 5 59.155 -9.322 13.501 1.00 0.00 C ATOM 74 OH TYR C 5 59.940 -9.746 14.553 1.00 0.00 O ATOM 0 H TYR C 5 55.926 -9.849 11.837 1.00 0.00 H new ATOM 0 HA TYR C 5 54.777 -8.579 9.438 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.319 -7.832 9.330 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.230 -7.047 10.457 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.151 -7.850 12.873 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.153 -9.174 10.100 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.562 -8.612 14.765 1.00 0.00 H new ATOM 0 HE2 TYR C 5 60.565 -9.933 11.992 1.00 0.00 H new ATOM 0 HH TYR C 5 60.771 -10.132 14.206 1.00 0.00 H new ATOM 84 N LYS C 6 57.126 -10.917 9.482 1.00 0.00 N ATOM 85 CA LYS C 6 57.742 -11.962 8.673 1.00 0.00 C ATOM 86 C LYS C 6 56.694 -12.964 8.203 1.00 0.00 C ATOM 87 O LYS C 6 56.850 -13.598 7.160 1.00 0.00 O ATOM 88 CB LYS C 6 58.816 -12.687 9.487 1.00 0.00 C ATOM 89 CG LYS C 6 59.761 -13.429 8.540 1.00 0.00 C ATOM 90 CD LYS C 6 60.784 -14.222 9.357 1.00 0.00 C ATOM 91 CE LYS C 6 61.826 -14.831 8.417 1.00 0.00 C ATOM 92 NZ LYS C 6 62.919 -13.846 8.182 1.00 0.00 N ATOM 0 H LYS C 6 57.460 -10.871 10.445 1.00 0.00 H new ATOM 0 HA LYS C 6 58.200 -11.497 7.800 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.376 -11.971 10.089 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.351 -13.390 10.178 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.194 -14.101 7.896 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.271 -12.719 7.889 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.270 -13.570 10.082 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.283 -15.009 9.921 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.232 -15.745 8.850 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.361 -15.107 7.471 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.628 -14.260 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.524 -12.986 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.369 -13.604 9.088 1.00 0.00 H new ATOM 106 N ALA C 7 55.624 -13.102 8.980 1.00 0.00 N ATOM 107 CA ALA C 7 54.555 -14.031 8.633 1.00 0.00 C ATOM 108 C ALA C 7 53.706 -13.471 7.496 1.00 0.00 C ATOM 109 O ALA C 7 53.394 -14.176 6.536 1.00 0.00 O ATOM 110 CB ALA C 7 53.670 -14.288 9.854 1.00 0.00 C ATOM 0 H ALA C 7 55.475 -12.587 9.847 1.00 0.00 H new ATOM 0 HA ALA C 7 55.006 -14.968 8.307 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.874 -14.983 9.587 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.272 -14.716 10.656 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.233 -13.348 10.191 1.00 0.00 H new ATOM 116 N ALA C 8 53.337 -12.200 7.611 1.00 0.00 N ATOM 117 CA ALA C 8 52.524 -11.555 6.586 1.00 0.00 C ATOM 118 C ALA C 8 53.219 -11.623 5.230 1.00 0.00 C ATOM 119 O ALA C 8 52.619 -12.025 4.234 1.00 0.00 O ATOM 120 CB ALA C 8 52.274 -10.093 6.961 1.00 0.00 C ATOM 0 H ALA C 8 53.585 -11.600 8.397 1.00 0.00 H new ATOM 0 HA ALA C 8 51.571 -12.081 6.520 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.666 -9.619 6.191 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.750 -10.047 7.916 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.227 -9.571 7.044 1.00 0.00 H new ATOM 126 N VAL C 9 54.487 -11.227 5.201 1.00 0.00 N ATOM 127 CA VAL C 9 55.255 -11.248 3.961 1.00 0.00 C ATOM 128 C VAL C 9 55.048 -12.568 3.225 1.00 0.00 C ATOM 129 O VAL C 9 54.639 -12.585 2.064 1.00 0.00 O ATOM 130 CB VAL C 9 56.741 -11.057 4.264 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.237 -12.213 5.135 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.529 -11.035 2.952 1.00 0.00 C ATOM 0 H VAL C 9 55.002 -10.890 6.015 1.00 0.00 H new ATOM 0 HA VAL C 9 54.907 -10.433 3.326 1.00 0.00 H new ATOM 0 HB VAL C 9 56.886 -10.115 4.793 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.297 -12.077 5.351 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.676 -12.232 6.069 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.093 -13.155 4.606 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.589 -10.899 3.166 1.00 0.00 H new ATOM 0 HG22 VAL C 9 57.384 -11.978 2.424 1.00 0.00 H new ATOM 0 HG23 VAL C 9 57.176 -10.213 2.329 1.00 0.00 H new ATOM 142 N GLU C 10 55.334 -13.671 3.907 1.00 0.00 N ATOM 143 CA GLU C 10 55.176 -14.991 3.308 1.00 0.00 C ATOM 144 C GLU C 10 53.725 -15.223 2.898 1.00 0.00 C ATOM 145 O GLU C 10 53.448 -15.948 1.943 1.00 0.00 O ATOM 146 CB GLU C 10 55.606 -16.071 4.302 1.00 0.00 C ATOM 147 CG GLU C 10 55.648 -17.428 3.596 1.00 0.00 C ATOM 148 CD GLU C 10 56.025 -18.521 4.590 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.220 -18.198 5.750 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.113 -19.666 4.176 1.00 0.00 O ATOM 0 H GLU C 10 55.674 -13.678 4.869 1.00 0.00 H new ATOM 0 HA GLU C 10 55.806 -15.044 2.420 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.587 -15.832 4.712 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.910 -16.107 5.140 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.676 -17.647 3.153 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.371 -17.401 2.781 1.00 0.00 H new ATOM 157 N GLN C 11 52.803 -14.602 3.627 1.00 0.00 N ATOM 158 CA GLN C 11 51.383 -14.748 3.330 1.00 0.00 C ATOM 159 C GLN C 11 50.909 -13.626 2.412 1.00 0.00 C ATOM 160 O GLN C 11 49.854 -13.033 2.634 1.00 0.00 O ATOM 161 CB GLN C 11 50.573 -14.725 4.628 1.00 0.00 C ATOM 162 CG GLN C 11 51.028 -15.869 5.535 1.00 0.00 C ATOM 163 CD GLN C 11 50.610 -17.207 4.936 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.460 -17.374 4.531 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.480 -18.176 4.856 1.00 0.00 N ATOM 0 H GLN C 11 53.012 -13.997 4.422 1.00 0.00 H new ATOM 0 HA GLN C 11 51.233 -15.702 2.825 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.707 -13.770 5.135 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.510 -14.823 4.407 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.111 -15.838 5.657 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.592 -15.753 6.527 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.433 -18.035 5.192 1.00 0.00 H new ATOM 0 HE22 GLN C 11 51.208 -19.074 4.457 1.00 0.00 H new ATOM 174 N LEU C 12 51.697 -13.340 1.380 1.00 0.00 N ATOM 175 CA LEU C 12 51.348 -12.286 0.435 1.00 0.00 C ATOM 176 C LEU C 12 50.947 -12.885 -0.910 1.00 0.00 C ATOM 177 O LEU C 12 51.560 -13.842 -1.382 1.00 0.00 O ATOM 178 CB LEU C 12 52.537 -11.343 0.241 1.00 0.00 C ATOM 179 CG LEU C 12 52.099 -9.905 0.524 1.00 0.00 C ATOM 180 CD1 LEU C 12 52.360 -9.571 1.994 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.896 -8.947 -0.364 1.00 0.00 C ATOM 0 H LEU C 12 52.574 -13.819 1.178 1.00 0.00 H new ATOM 0 HA LEU C 12 50.504 -11.727 0.838 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.351 -11.625 0.909 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.917 -11.425 -0.777 1.00 0.00 H new ATOM 0 HG LEU C 12 51.035 -9.801 0.311 1.00 0.00 H new ATOM 0 HD11 LEU C 12 52.048 -8.546 2.195 1.00 0.00 H new ATOM 0 HD12 LEU C 12 51.795 -10.254 2.628 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.424 -9.675 2.207 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.585 -7.922 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU C 12 53.960 -9.052 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU C 12 52.712 -9.184 -1.412 1.00 0.00 H new ATOM 193 N THR C 13 49.914 -12.314 -1.521 1.00 0.00 N ATOM 194 CA THR C 13 49.440 -12.800 -2.812 1.00 0.00 C ATOM 195 C THR C 13 49.971 -11.924 -3.942 1.00 0.00 C ATOM 196 O THR C 13 50.364 -10.779 -3.721 1.00 0.00 O ATOM 197 CB THR C 13 47.910 -12.800 -2.840 1.00 0.00 C ATOM 198 OG1 THR C 13 47.440 -11.464 -2.958 1.00 0.00 O ATOM 199 CG2 THR C 13 47.373 -13.419 -1.549 1.00 0.00 C ATOM 0 H THR C 13 49.393 -11.521 -1.147 1.00 0.00 H new ATOM 0 HA THR C 13 49.806 -13.817 -2.953 1.00 0.00 H new ATOM 0 HB THR C 13 47.563 -13.385 -3.692 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.460 -11.462 -2.978 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.283 -13.418 -1.571 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.733 -14.444 -1.460 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.719 -12.837 -0.695 1.00 0.00 H new ATOM 207 N GLU C 14 49.980 -12.471 -5.153 1.00 0.00 N ATOM 208 CA GLU C 14 50.466 -11.730 -6.312 1.00 0.00 C ATOM 209 C GLU C 14 49.787 -10.367 -6.400 1.00 0.00 C ATOM 210 O GLU C 14 50.293 -9.451 -7.047 1.00 0.00 O ATOM 211 CB GLU C 14 50.192 -12.522 -7.591 1.00 0.00 C ATOM 212 CG GLU C 14 50.890 -13.881 -7.511 1.00 0.00 C ATOM 213 CD GLU C 14 50.032 -14.862 -6.719 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.994 -14.449 -6.228 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.424 -16.013 -6.616 1.00 0.00 O ATOM 0 H GLU C 14 49.659 -13.417 -5.357 1.00 0.00 H new ATOM 0 HA GLU C 14 51.540 -11.582 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.119 -12.660 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.551 -11.968 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.067 -14.268 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.865 -13.771 -7.035 1.00 0.00 H new ATOM 222 N GLU C 15 48.637 -10.241 -5.745 1.00 0.00 N ATOM 223 CA GLU C 15 47.896 -8.985 -5.756 1.00 0.00 C ATOM 224 C GLU C 15 48.662 -7.905 -4.999 1.00 0.00 C ATOM 225 O GLU C 15 48.685 -6.744 -5.408 1.00 0.00 O ATOM 226 CB GLU C 15 46.522 -9.184 -5.115 1.00 0.00 C ATOM 227 CG GLU C 15 45.686 -7.915 -5.295 1.00 0.00 C ATOM 228 CD GLU C 15 45.310 -7.743 -6.763 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.275 -8.739 -7.466 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.064 -6.617 -7.163 1.00 0.00 O ATOM 0 H GLU C 15 48.201 -10.987 -5.204 1.00 0.00 H new ATOM 0 HA GLU C 15 47.771 -8.667 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.015 -10.034 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.633 -9.412 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU C 15 44.785 -7.973 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.248 -7.047 -4.951 1.00 0.00 H new ATOM 237 N GLN C 16 49.287 -8.295 -3.893 1.00 0.00 N ATOM 238 CA GLN C 16 50.051 -7.350 -3.086 1.00 0.00 C ATOM 239 C GLN C 16 51.468 -7.202 -3.632 1.00 0.00 C ATOM 240 O GLN C 16 51.897 -6.102 -3.980 1.00 0.00 O ATOM 241 CB GLN C 16 50.109 -7.831 -1.634 1.00 0.00 C ATOM 242 CG GLN C 16 48.741 -7.641 -0.978 1.00 0.00 C ATOM 243 CD GLN C 16 48.767 -8.178 0.449 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.574 -9.374 0.666 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.998 -7.361 1.439 1.00 0.00 N ATOM 0 H GLN C 16 49.280 -9.251 -3.537 1.00 0.00 H new ATOM 0 HA GLN C 16 49.555 -6.380 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.398 -8.881 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.868 -7.273 -1.085 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.475 -6.584 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN C 16 47.976 -8.159 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.158 -6.370 1.256 1.00 0.00 H new ATOM 0 HE22 GLN C 16 49.019 -7.713 2.396 1.00 0.00 H new ATOM 254 N LYS C 17 52.189 -8.316 -3.703 1.00 0.00 N ATOM 255 CA LYS C 17 53.557 -8.297 -4.209 1.00 0.00 C ATOM 256 C LYS C 17 53.653 -7.434 -5.462 1.00 0.00 C ATOM 257 O LYS C 17 54.543 -6.592 -5.581 1.00 0.00 O ATOM 258 CB LYS C 17 54.013 -9.721 -4.531 1.00 0.00 C ATOM 259 CG LYS C 17 55.494 -9.708 -4.919 1.00 0.00 C ATOM 260 CD LYS C 17 55.928 -11.117 -5.325 1.00 0.00 C ATOM 261 CE LYS C 17 57.445 -11.148 -5.520 1.00 0.00 C ATOM 262 NZ LYS C 17 58.083 -11.812 -4.349 1.00 0.00 N ATOM 0 H LYS C 17 51.853 -9.236 -3.419 1.00 0.00 H new ATOM 0 HA LYS C 17 54.203 -7.873 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.858 -10.368 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.416 -10.130 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.659 -9.014 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.097 -9.358 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.635 -11.834 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.426 -11.412 -6.247 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.694 -11.684 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.829 -10.134 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 59.114 -11.833 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 57.856 -11.282 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.725 -12.785 -4.264 1.00 0.00 H new ATOM 276 N ASN C 18 52.731 -7.649 -6.395 1.00 0.00 N ATOM 277 CA ASN C 18 52.722 -6.884 -7.637 1.00 0.00 C ATOM 278 C ASN C 18 52.823 -5.390 -7.346 1.00 0.00 C ATOM 279 O ASN C 18 53.402 -4.634 -8.127 1.00 0.00 O ATOM 280 CB ASN C 18 51.436 -7.168 -8.416 1.00 0.00 C ATOM 281 CG ASN C 18 51.485 -6.474 -9.773 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.423 -5.730 -10.058 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.523 -6.674 -10.632 1.00 0.00 N ATOM 0 H ASN C 18 51.986 -8.341 -6.316 1.00 0.00 H new ATOM 0 HA ASN C 18 53.582 -7.186 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.313 -8.242 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.573 -6.817 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.548 -6.213 -11.542 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.747 -7.291 -10.394 1.00 0.00 H new ATOM 290 N GLU C 19 52.257 -4.971 -6.219 1.00 0.00 N ATOM 291 CA GLU C 19 52.290 -3.565 -5.836 1.00 0.00 C ATOM 292 C GLU C 19 53.645 -3.204 -5.237 1.00 0.00 C ATOM 293 O GLU C 19 54.275 -2.227 -5.644 1.00 0.00 O ATOM 294 CB GLU C 19 51.186 -3.275 -4.817 1.00 0.00 C ATOM 295 CG GLU C 19 49.826 -3.630 -5.422 1.00 0.00 C ATOM 296 CD GLU C 19 48.711 -3.258 -4.451 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.024 -2.913 -3.323 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.559 -3.325 -4.849 1.00 0.00 O ATOM 0 H GLU C 19 51.773 -5.580 -5.559 1.00 0.00 H new ATOM 0 HA GLU C 19 52.128 -2.961 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.354 -3.854 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.206 -2.223 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.689 -3.102 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.785 -4.696 -5.645 1.00 0.00 H new ATOM 305 N PHE C 20 54.088 -3.998 -4.267 1.00 0.00 N ATOM 306 CA PHE C 20 55.371 -3.752 -3.618 1.00 0.00 C ATOM 307 C PHE C 20 56.498 -3.739 -4.646 1.00 0.00 C ATOM 308 O PHE C 20 57.371 -2.872 -4.613 1.00 0.00 O ATOM 309 CB PHE C 20 55.644 -4.835 -2.573 1.00 0.00 C ATOM 310 CG PHE C 20 54.622 -4.735 -1.466 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.641 -3.736 -1.506 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.654 -5.641 -0.399 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.694 -3.644 -0.480 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.707 -5.549 0.627 1.00 0.00 C ATOM 315 CZ PHE C 20 52.726 -4.550 0.587 1.00 0.00 C ATOM 0 H PHE C 20 53.582 -4.811 -3.915 1.00 0.00 H new ATOM 0 HA PHE C 20 55.329 -2.778 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.600 -5.821 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.649 -4.718 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.616 -3.037 -2.329 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.410 -6.411 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.938 -2.874 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE C 20 53.732 -6.248 1.450 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.995 -4.479 1.379 1.00 0.00 H new ATOM 325 N LYS C 21 56.472 -4.706 -5.558 1.00 0.00 N ATOM 326 CA LYS C 21 57.498 -4.796 -6.591 1.00 0.00 C ATOM 327 C LYS C 21 57.645 -3.463 -7.318 1.00 0.00 C ATOM 328 O LYS C 21 58.721 -3.132 -7.815 1.00 0.00 O ATOM 329 CB LYS C 21 57.133 -5.890 -7.596 1.00 0.00 C ATOM 330 CG LYS C 21 58.297 -6.102 -8.565 1.00 0.00 C ATOM 331 CD LYS C 21 57.921 -7.176 -9.589 1.00 0.00 C ATOM 332 CE LYS C 21 59.133 -7.491 -10.467 1.00 0.00 C ATOM 333 NZ LYS C 21 58.669 -7.956 -11.805 1.00 0.00 N ATOM 0 H LYS C 21 55.758 -5.433 -5.603 1.00 0.00 H new ATOM 0 HA LYS C 21 58.446 -5.043 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.908 -6.819 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.235 -5.608 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.536 -5.168 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.190 -6.404 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.584 -8.078 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.092 -6.831 -10.206 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.758 -6.604 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.747 -8.259 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.493 -8.170 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.090 -8.813 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.100 -7.210 -12.254 1.00 0.00 H new ATOM 347 N ALA C 22 56.556 -2.703 -7.375 1.00 0.00 N ATOM 348 CA ALA C 22 56.576 -1.407 -8.044 1.00 0.00 C ATOM 349 C ALA C 22 57.612 -0.489 -7.404 1.00 0.00 C ATOM 350 O ALA C 22 58.593 -0.105 -8.041 1.00 0.00 O ATOM 351 CB ALA C 22 55.194 -0.756 -7.962 1.00 0.00 C ATOM 0 H ALA C 22 55.656 -2.959 -6.970 1.00 0.00 H new ATOM 0 HA ALA C 22 56.843 -1.563 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.217 0.211 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.460 -1.399 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.919 -0.616 -6.917 1.00 0.00 H new ATOM 357 N ALA C 23 57.387 -0.141 -6.141 1.00 0.00 N ATOM 358 CA ALA C 23 58.308 0.733 -5.424 1.00 0.00 C ATOM 359 C ALA C 23 59.721 0.159 -5.450 1.00 0.00 C ATOM 360 O ALA C 23 60.672 0.843 -5.828 1.00 0.00 O ATOM 361 CB ALA C 23 57.849 0.899 -3.974 1.00 0.00 C ATOM 0 H ALA C 23 56.581 -0.448 -5.596 1.00 0.00 H new ATOM 0 HA ALA C 23 58.314 1.705 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.542 1.553 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.851 1.337 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.826 -0.075 -3.486 1.00 0.00 H new ATOM 367 N PHE C 24 59.850 -1.100 -5.047 1.00 0.00 N ATOM 368 CA PHE C 24 61.152 -1.757 -5.029 1.00 0.00 C ATOM 369 C PHE C 24 62.017 -1.264 -6.184 1.00 0.00 C ATOM 370 O PHE C 24 63.175 -0.891 -5.991 1.00 0.00 O ATOM 371 CB PHE C 24 60.975 -3.273 -5.131 1.00 0.00 C ATOM 372 CG PHE C 24 60.345 -3.793 -3.862 1.00 0.00 C ATOM 373 CD1 PHE C 24 59.510 -2.963 -3.104 1.00 0.00 C ATOM 374 CD2 PHE C 24 60.595 -5.105 -3.443 1.00 0.00 C ATOM 375 CE1 PHE C 24 58.925 -3.446 -1.927 1.00 0.00 C ATOM 376 CE2 PHE C 24 60.011 -5.588 -2.266 1.00 0.00 C ATOM 377 CZ PHE C 24 59.176 -4.758 -1.508 1.00 0.00 C ATOM 0 H PHE C 24 59.075 -1.683 -4.730 1.00 0.00 H new ATOM 0 HA PHE C 24 61.648 -1.513 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.349 -3.520 -5.988 1.00 0.00 H new ATOM 0 HB3 PHE C 24 61.940 -3.752 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE C 24 59.317 -1.951 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.239 -5.745 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE C 24 58.280 -2.806 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE C 24 60.204 -6.600 -1.943 1.00 0.00 H new ATOM 0 HZ PHE C 24 58.725 -5.130 -0.600 1.00 0.00 H new ATOM 387 N ASP C 25 61.448 -1.265 -7.385 1.00 0.00 N ATOM 388 CA ASP C 25 62.177 -0.816 -8.566 1.00 0.00 C ATOM 389 C ASP C 25 62.505 0.670 -8.459 1.00 0.00 C ATOM 390 O ASP C 25 63.671 1.063 -8.511 1.00 0.00 O ATOM 391 CB ASP C 25 61.342 -1.067 -9.823 1.00 0.00 C ATOM 392 CG ASP C 25 60.926 -2.533 -9.888 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.568 -3.340 -9.236 1.00 0.00 O ATOM 394 OD2 ASP C 25 59.971 -2.826 -10.588 1.00 0.00 O ATOM 0 H ASP C 25 60.491 -1.569 -7.566 1.00 0.00 H new ATOM 0 HA ASP C 25 63.108 -1.379 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.458 -0.429 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.917 -0.804 -10.711 1.00 0.00 H new ATOM 399 N ILE C 26 61.470 1.490 -8.310 1.00 0.00 N ATOM 400 CA ILE C 26 61.661 2.932 -8.197 1.00 0.00 C ATOM 401 C ILE C 26 62.535 3.264 -6.992 1.00 0.00 C ATOM 402 O ILE C 26 63.177 4.313 -6.950 1.00 0.00 O ATOM 403 CB ILE C 26 60.306 3.628 -8.055 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.416 3.255 -9.243 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.511 5.143 -8.029 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.003 3.792 -9.011 1.00 0.00 C ATOM 0 H ILE C 26 60.498 1.185 -8.265 1.00 0.00 H new ATOM 0 HA ILE C 26 62.158 3.286 -9.100 1.00 0.00 H new ATOM 0 HB ILE C 26 59.829 3.310 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.827 3.670 -10.163 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.389 2.172 -9.365 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.546 5.639 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.146 5.410 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.987 5.462 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.369 3.526 -9.857 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.593 3.356 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.038 4.877 -8.910 1.00 0.00 H new ATOM 418 N PHE C 27 62.553 2.364 -6.015 1.00 0.00 N ATOM 419 CA PHE C 27 63.352 2.573 -4.813 1.00 0.00 C ATOM 420 C PHE C 27 64.802 2.167 -5.056 1.00 0.00 C ATOM 421 O PHE C 27 65.652 2.308 -4.176 1.00 0.00 O ATOM 422 CB PHE C 27 62.778 1.753 -3.655 1.00 0.00 C ATOM 423 CG PHE C 27 63.573 0.478 -3.499 1.00 0.00 C ATOM 424 CD1 PHE C 27 64.893 0.416 -3.959 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.988 -0.641 -2.894 1.00 0.00 C ATOM 426 CE1 PHE C 27 65.630 -0.766 -3.813 1.00 0.00 C ATOM 427 CE2 PHE C 27 63.724 -1.823 -2.749 1.00 0.00 C ATOM 428 CZ PHE C 27 65.045 -1.885 -3.209 1.00 0.00 C ATOM 0 H PHE C 27 62.028 1.490 -6.031 1.00 0.00 H new ATOM 0 HA PHE C 27 63.321 3.632 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.814 2.332 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE C 27 61.730 1.520 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE C 27 65.343 1.279 -4.426 1.00 0.00 H new ATOM 0 HD2 PHE C 27 61.969 -0.592 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE C 27 66.649 -0.814 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE C 27 63.273 -2.686 -2.283 1.00 0.00 H new ATOM 0 HZ PHE C 27 65.613 -2.797 -3.098 1.00 0.00 H new ATOM 438 N VAL C 28 65.078 1.664 -6.255 1.00 0.00 N ATOM 439 CA VAL C 28 66.430 1.241 -6.602 1.00 0.00 C ATOM 440 C VAL C 28 66.780 1.679 -8.020 1.00 0.00 C ATOM 441 O VAL C 28 67.634 1.077 -8.672 1.00 0.00 O ATOM 442 CB VAL C 28 66.545 -0.280 -6.492 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.160 -0.882 -6.250 1.00 0.00 C ATOM 444 CG2 VAL C 28 67.123 -0.841 -7.793 1.00 0.00 C ATOM 0 H VAL C 28 64.390 1.540 -6.997 1.00 0.00 H new ATOM 0 HA VAL C 28 67.127 1.709 -5.907 1.00 0.00 H new ATOM 0 HB VAL C 28 67.202 -0.535 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.243 -1.966 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL C 28 64.746 -0.482 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.502 -0.628 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL C 28 67.206 -1.925 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL C 28 66.465 -0.585 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL C 28 68.110 -0.413 -7.967 1.00 0.00 H new ATOM 454 N LEU C 29 66.117 2.729 -8.492 1.00 0.00 N ATOM 455 CA LEU C 29 66.367 3.238 -9.835 1.00 0.00 C ATOM 456 C LEU C 29 67.757 3.862 -9.921 1.00 0.00 C ATOM 457 O LEU C 29 67.940 5.039 -9.613 1.00 0.00 O ATOM 458 CB LEU C 29 65.313 4.284 -10.202 1.00 0.00 C ATOM 459 CG LEU C 29 65.456 4.656 -11.679 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.990 3.486 -12.548 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.597 5.886 -11.979 1.00 0.00 C ATOM 0 H LEU C 29 65.407 3.241 -7.969 1.00 0.00 H new ATOM 0 HA LEU C 29 66.311 2.405 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.314 3.892 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.433 5.171 -9.579 1.00 0.00 H new ATOM 0 HG LEU C 29 66.500 4.878 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU C 29 65.092 3.751 -13.600 1.00 0.00 H new ATOM 0 HD12 LEU C 29 65.600 2.608 -12.334 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.946 3.264 -12.329 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.698 6.152 -13.031 1.00 0.00 H new ATOM 0 HD22 LEU C 29 63.553 5.663 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.927 6.720 -11.360 1.00 0.00 H new ATOM 473 N GLY C 30 68.733 3.064 -10.341 1.00 0.00 N ATOM 474 CA GLY C 30 70.103 3.548 -10.464 1.00 0.00 C ATOM 475 C GLY C 30 71.038 2.778 -9.538 1.00 0.00 C ATOM 476 O GLY C 30 72.232 3.069 -9.463 1.00 0.00 O ATOM 0 H GLY C 30 68.603 2.086 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.439 3.443 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.140 4.610 -10.223 1.00 0.00 H new ATOM 480 N ALA C 31 70.488 1.794 -8.835 1.00 0.00 N ATOM 481 CA ALA C 31 71.283 0.987 -7.916 1.00 0.00 C ATOM 482 C ALA C 31 72.333 0.185 -8.678 1.00 0.00 C ATOM 483 O ALA C 31 72.308 0.122 -9.907 1.00 0.00 O ATOM 484 CB ALA C 31 70.375 0.033 -7.138 1.00 0.00 C ATOM 0 H ALA C 31 69.502 1.537 -8.883 1.00 0.00 H new ATOM 0 HA ALA C 31 71.788 1.656 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.977 -0.566 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.644 0.609 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.856 -0.625 -7.835 1.00 0.00 H new ATOM 490 N GLU C 32 73.254 -0.426 -7.941 1.00 0.00 N ATOM 491 CA GLU C 32 74.309 -1.222 -8.558 1.00 0.00 C ATOM 492 C GLU C 32 73.934 -2.700 -8.559 1.00 0.00 C ATOM 493 O GLU C 32 74.070 -3.385 -9.572 1.00 0.00 O ATOM 494 CB GLU C 32 75.623 -1.027 -7.800 1.00 0.00 C ATOM 495 CG GLU C 32 76.072 0.430 -7.923 1.00 0.00 C ATOM 496 CD GLU C 32 77.450 0.605 -7.294 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.924 -0.337 -6.680 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.012 1.679 -7.436 1.00 0.00 O ATOM 0 H GLU C 32 73.292 -0.386 -6.922 1.00 0.00 H new ATOM 0 HA GLU C 32 74.433 -0.890 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.492 -1.291 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.389 -1.690 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.102 0.723 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.352 1.084 -7.430 1.00 0.00 H new ATOM 505 N ASP C 33 73.461 -3.186 -7.415 1.00 0.00 N ATOM 506 CA ASP C 33 73.069 -4.586 -7.295 1.00 0.00 C ATOM 507 C ASP C 33 71.550 -4.716 -7.261 1.00 0.00 C ATOM 508 O ASP C 33 70.976 -5.579 -7.925 1.00 0.00 O ATOM 509 CB ASP C 33 73.664 -5.187 -6.021 1.00 0.00 C ATOM 510 CG ASP C 33 75.185 -5.218 -6.120 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.692 -5.034 -7.214 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.821 -5.425 -5.100 1.00 0.00 O ATOM 0 H ASP C 33 73.341 -2.636 -6.564 1.00 0.00 H new ATOM 0 HA ASP C 33 73.449 -5.126 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.360 -4.599 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.280 -6.196 -5.872 1.00 0.00 H new ATOM 517 N GLY C 34 70.904 -3.853 -6.483 1.00 0.00 N ATOM 518 CA GLY C 34 69.451 -3.881 -6.370 1.00 0.00 C ATOM 519 C GLY C 34 69.011 -3.615 -4.934 1.00 0.00 C ATOM 520 O GLY C 34 68.165 -4.327 -4.392 1.00 0.00 O ATOM 0 H GLY C 34 71.360 -3.131 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.016 -3.132 -7.032 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.076 -4.851 -6.696 1.00 0.00 H new ATOM 524 N CYS C 35 69.590 -2.587 -4.324 1.00 0.00 N ATOM 525 CA CYS C 35 69.249 -2.236 -2.949 1.00 0.00 C ATOM 526 C CYS C 35 68.890 -0.758 -2.847 1.00 0.00 C ATOM 527 O CYS C 35 68.695 -0.084 -3.859 1.00 0.00 O ATOM 528 CB CYS C 35 70.429 -2.542 -2.025 1.00 0.00 C ATOM 529 SG CYS C 35 71.182 -4.116 -2.508 1.00 0.00 S ATOM 0 H CYS C 35 70.292 -1.986 -4.755 1.00 0.00 H new ATOM 0 HA CYS C 35 68.386 -2.829 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.166 -1.741 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.091 -2.591 -0.990 1.00 0.00 H new ATOM 0 HG CYS C 35 70.490 -5.098 -2.012 1.00 0.00 H new ATOM 535 N ILE C 36 68.804 -0.259 -1.618 1.00 0.00 N ATOM 536 CA ILE C 36 68.467 1.142 -1.394 1.00 0.00 C ATOM 537 C ILE C 36 69.445 1.778 -0.411 1.00 0.00 C ATOM 538 O ILE C 36 69.972 1.108 0.477 1.00 0.00 O ATOM 539 CB ILE C 36 67.044 1.256 -0.847 1.00 0.00 C ATOM 540 CG1 ILE C 36 67.058 2.086 0.439 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.499 -0.141 -0.544 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.629 2.242 0.962 1.00 0.00 C ATOM 0 H ILE C 36 68.962 -0.800 -0.768 1.00 0.00 H new ATOM 0 HA ILE C 36 68.533 1.669 -2.346 1.00 0.00 H new ATOM 0 HB ILE C 36 66.408 1.741 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE C 36 67.681 1.601 1.191 1.00 0.00 H new ATOM 0 HG13 ILE C 36 67.495 3.066 0.247 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.484 -0.059 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE C 36 66.489 -0.734 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.134 -0.627 0.197 1.00 0.00 H new ATOM 0 HD11 ILE C 36 65.639 2.833 1.878 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.020 2.746 0.212 1.00 0.00 H new ATOM 0 HD13 ILE C 36 65.208 1.258 1.170 1.00 0.00 H new ATOM 554 N SER C 37 69.683 3.075 -0.576 1.00 0.00 N ATOM 555 CA SER C 37 70.600 3.792 0.303 1.00 0.00 C ATOM 556 C SER C 37 70.244 5.274 0.355 1.00 0.00 C ATOM 557 O SER C 37 71.124 6.135 0.316 1.00 0.00 O ATOM 558 CB SER C 37 72.036 3.627 -0.194 1.00 0.00 C ATOM 559 OG SER C 37 72.895 4.465 0.567 1.00 0.00 O ATOM 0 H SER C 37 69.257 3.648 -1.305 1.00 0.00 H new ATOM 0 HA SER C 37 70.513 3.374 1.306 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.348 2.587 -0.101 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.099 3.886 -1.251 1.00 0.00 H new ATOM 0 HG SER C 37 72.615 5.399 0.466 1.00 0.00 H new ATOM 565 N THR C 38 68.951 5.565 0.445 1.00 0.00 N ATOM 566 CA THR C 38 68.491 6.947 0.502 1.00 0.00 C ATOM 567 C THR C 38 68.679 7.631 -0.849 1.00 0.00 C ATOM 568 O THR C 38 67.724 8.134 -1.440 1.00 0.00 O ATOM 569 CB THR C 38 69.267 7.712 1.576 1.00 0.00 C ATOM 570 OG1 THR C 38 70.463 8.233 1.013 1.00 0.00 O ATOM 571 CG2 THR C 38 69.611 6.768 2.729 1.00 0.00 C ATOM 0 H THR C 38 68.208 4.868 0.480 1.00 0.00 H new ATOM 0 HA THR C 38 67.430 6.947 0.752 1.00 0.00 H new ATOM 0 HB THR C 38 68.656 8.532 1.952 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.133 7.520 0.951 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.164 7.314 3.494 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.692 6.370 3.160 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.222 5.946 2.356 1.00 0.00 H new ATOM 579 N LYS C 39 69.918 7.646 -1.331 1.00 0.00 N ATOM 580 CA LYS C 39 70.220 8.271 -2.613 1.00 0.00 C ATOM 581 C LYS C 39 69.129 7.958 -3.632 1.00 0.00 C ATOM 582 O LYS C 39 68.753 8.812 -4.435 1.00 0.00 O ATOM 583 CB LYS C 39 71.568 7.769 -3.135 1.00 0.00 C ATOM 584 CG LYS C 39 72.676 8.178 -2.163 1.00 0.00 C ATOM 585 CD LYS C 39 74.013 7.610 -2.644 1.00 0.00 C ATOM 586 CE LYS C 39 74.339 8.173 -4.029 1.00 0.00 C ATOM 587 NZ LYS C 39 75.815 8.166 -4.233 1.00 0.00 N ATOM 0 H LYS C 39 70.723 7.236 -0.857 1.00 0.00 H new ATOM 0 HA LYS C 39 70.267 9.350 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.547 6.685 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.765 8.185 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.733 9.264 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.451 7.809 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.804 7.868 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.964 6.522 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.852 7.576 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.953 9.188 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.037 8.549 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 76.269 8.753 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 76.171 7.191 -4.163 1.00 0.00 H new ATOM 601 N GLU C 40 68.625 6.729 -3.594 1.00 0.00 N ATOM 602 CA GLU C 40 67.577 6.314 -4.519 1.00 0.00 C ATOM 603 C GLU C 40 66.199 6.563 -3.915 1.00 0.00 C ATOM 604 O GLU C 40 65.314 7.115 -4.569 1.00 0.00 O ATOM 605 CB GLU C 40 67.731 4.829 -4.851 1.00 0.00 C ATOM 606 CG GLU C 40 69.122 4.577 -5.436 1.00 0.00 C ATOM 607 CD GLU C 40 70.144 4.443 -4.312 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.744 4.521 -3.162 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.311 4.264 -4.618 1.00 0.00 O ATOM 0 H GLU C 40 68.923 6.007 -2.937 1.00 0.00 H new ATOM 0 HA GLU C 40 67.672 6.901 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.589 4.228 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.965 4.524 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.113 3.670 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.402 5.397 -6.097 1.00 0.00 H new ATOM 616 N LEU C 41 66.025 6.152 -2.663 1.00 0.00 N ATOM 617 CA LEU C 41 64.750 6.336 -1.980 1.00 0.00 C ATOM 618 C LEU C 41 64.331 7.803 -2.012 1.00 0.00 C ATOM 619 O LEU C 41 63.293 8.149 -2.576 1.00 0.00 O ATOM 620 CB LEU C 41 64.863 5.868 -0.528 1.00 0.00 C ATOM 621 CG LEU C 41 63.488 5.426 -0.025 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.245 3.968 -0.418 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.438 5.557 1.499 1.00 0.00 C ATOM 0 H LEU C 41 66.745 5.693 -2.105 1.00 0.00 H new ATOM 0 HA LEU C 41 63.995 5.743 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.571 5.043 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.248 6.674 0.096 1.00 0.00 H new ATOM 0 HG LEU C 41 62.718 6.056 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.265 3.653 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.282 3.873 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.014 3.338 0.028 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.459 5.242 1.859 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.208 4.927 1.944 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.612 6.595 1.781 1.00 0.00 H new ATOM 635 N GLY C 42 65.146 8.659 -1.404 1.00 0.00 N ATOM 636 CA GLY C 42 64.849 10.086 -1.369 1.00 0.00 C ATOM 637 C GLY C 42 64.317 10.565 -2.715 1.00 0.00 C ATOM 638 O GLY C 42 63.423 11.409 -2.775 1.00 0.00 O ATOM 0 H GLY C 42 66.010 8.392 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.114 10.289 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.750 10.643 -1.111 1.00 0.00 H new ATOM 642 N LYS C 43 64.873 10.022 -3.793 1.00 0.00 N ATOM 643 CA LYS C 43 64.446 10.402 -5.135 1.00 0.00 C ATOM 644 C LYS C 43 62.928 10.327 -5.255 1.00 0.00 C ATOM 645 O LYS C 43 62.308 11.149 -5.930 1.00 0.00 O ATOM 646 CB LYS C 43 65.089 9.476 -6.169 1.00 0.00 C ATOM 647 CG LYS C 43 65.445 10.279 -7.422 1.00 0.00 C ATOM 648 CD LYS C 43 64.170 10.860 -8.036 1.00 0.00 C ATOM 649 CE LYS C 43 64.395 11.127 -9.526 1.00 0.00 C ATOM 650 NZ LYS C 43 65.812 11.531 -9.749 1.00 0.00 N ATOM 0 H LYS C 43 65.615 9.323 -3.765 1.00 0.00 H new ATOM 0 HA LYS C 43 64.763 11.428 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.985 9.015 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.404 8.668 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.137 11.082 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.951 9.639 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS C 43 63.340 10.166 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS C 43 63.898 11.785 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.165 10.233 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS C 43 63.723 11.913 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.886 12.058 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.129 12.134 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.411 10.682 -9.797 1.00 0.00 H new ATOM 664 N VAL C 44 62.335 9.336 -4.597 1.00 0.00 N ATOM 665 CA VAL C 44 60.888 9.163 -4.638 1.00 0.00 C ATOM 666 C VAL C 44 60.200 10.193 -3.748 1.00 0.00 C ATOM 667 O VAL C 44 59.150 10.731 -4.102 1.00 0.00 O ATOM 668 CB VAL C 44 60.517 7.755 -4.172 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.589 6.765 -4.632 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.425 7.732 -2.645 1.00 0.00 C ATOM 0 H VAL C 44 62.830 8.645 -4.033 1.00 0.00 H new ATOM 0 HA VAL C 44 60.553 9.305 -5.665 1.00 0.00 H new ATOM 0 HB VAL C 44 59.555 7.473 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.324 5.761 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.656 6.781 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.552 7.046 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.160 6.729 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.387 8.014 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.661 8.437 -2.316 1.00 0.00 H new ATOM 680 N MET C 45 60.798 10.464 -2.593 1.00 0.00 N ATOM 681 CA MET C 45 60.233 11.432 -1.660 1.00 0.00 C ATOM 682 C MET C 45 59.783 12.688 -2.398 1.00 0.00 C ATOM 683 O MET C 45 58.600 13.029 -2.400 1.00 0.00 O ATOM 684 CB MET C 45 61.273 11.805 -0.601 1.00 0.00 C ATOM 685 CG MET C 45 61.427 10.652 0.392 1.00 0.00 C ATOM 686 SD MET C 45 60.105 10.736 1.625 1.00 0.00 S ATOM 687 CE MET C 45 59.501 9.042 1.426 1.00 0.00 C ATOM 0 H MET C 45 61.667 10.031 -2.282 1.00 0.00 H new ATOM 0 HA MET C 45 59.368 10.979 -1.176 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.230 12.020 -1.076 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.966 12.711 -0.078 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.388 9.698 -0.134 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.399 10.707 0.882 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.666 8.871 2.106 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.169 8.893 0.399 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.304 8.340 1.653 1.00 0.00 H new ATOM 697 N ARG C 46 60.734 13.373 -3.025 1.00 0.00 N ATOM 698 CA ARG C 46 60.424 14.591 -3.765 1.00 0.00 C ATOM 699 C ARG C 46 59.100 14.443 -4.508 1.00 0.00 C ATOM 700 O ARG C 46 58.328 15.396 -4.615 1.00 0.00 O ATOM 701 CB ARG C 46 61.542 14.894 -4.764 1.00 0.00 C ATOM 702 CG ARG C 46 61.275 16.242 -5.435 1.00 0.00 C ATOM 703 CD ARG C 46 62.377 16.531 -6.456 1.00 0.00 C ATOM 704 NE ARG C 46 62.194 17.857 -7.035 1.00 0.00 N ATOM 705 CZ ARG C 46 61.204 18.103 -7.888 1.00 0.00 C ATOM 706 NH1 ARG C 46 60.376 17.150 -8.220 1.00 0.00 N ATOM 707 NH2 ARG C 46 61.060 19.298 -8.393 1.00 0.00 N ATOM 0 H ARG C 46 61.719 13.108 -3.036 1.00 0.00 H new ATOM 0 HA ARG C 46 60.339 15.414 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.505 14.914 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.596 14.106 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG C 46 60.303 16.229 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.242 17.033 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.353 16.468 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.360 15.777 -7.243 1.00 0.00 H new ATOM 0 HE ARG C 46 62.836 18.608 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG C 46 60.488 16.216 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG C 46 59.617 17.339 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.707 20.043 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG C 46 60.301 19.487 -9.047 1.00 0.00 H new ATOM 721 N MET C 47 58.845 13.244 -5.020 1.00 0.00 N ATOM 722 CA MET C 47 57.611 12.984 -5.752 1.00 0.00 C ATOM 723 C MET C 47 56.477 12.648 -4.789 1.00 0.00 C ATOM 724 O MET C 47 55.312 12.938 -5.061 1.00 0.00 O ATOM 725 CB MET C 47 57.816 11.822 -6.727 1.00 0.00 C ATOM 726 CG MET C 47 56.600 11.706 -7.647 1.00 0.00 C ATOM 727 SD MET C 47 56.760 10.224 -8.674 1.00 0.00 S ATOM 728 CE MET C 47 55.376 9.303 -7.961 1.00 0.00 C ATOM 0 H MET C 47 59.471 12.442 -4.943 1.00 0.00 H new ATOM 0 HA MET C 47 57.345 13.883 -6.309 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.718 11.984 -7.318 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.958 10.892 -6.176 1.00 0.00 H new ATOM 0 HG2 MET C 47 55.686 11.654 -7.055 1.00 0.00 H new ATOM 0 HG3 MET C 47 56.522 12.592 -8.277 1.00 0.00 H new ATOM 0 HE1 MET C 47 55.289 8.336 -8.456 1.00 0.00 H new ATOM 0 HE2 MET C 47 55.551 9.151 -6.896 1.00 0.00 H new ATOM 0 HE3 MET C 47 54.454 9.867 -8.100 1.00 0.00 H new ATOM 738 N LEU C 48 56.825 12.034 -3.663 1.00 0.00 N ATOM 739 CA LEU C 48 55.828 11.663 -2.666 1.00 0.00 C ATOM 740 C LEU C 48 55.269 12.905 -1.980 1.00 0.00 C ATOM 741 O LEU C 48 54.313 12.822 -1.209 1.00 0.00 O ATOM 742 CB LEU C 48 56.453 10.737 -1.621 1.00 0.00 C ATOM 743 CG LEU C 48 55.362 10.214 -0.685 1.00 0.00 C ATOM 744 CD1 LEU C 48 55.381 8.684 -0.684 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.620 10.727 0.733 1.00 0.00 C ATOM 0 H LEU C 48 57.783 11.784 -3.419 1.00 0.00 H new ATOM 0 HA LEU C 48 55.013 11.143 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.956 9.904 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU C 48 57.210 11.274 -1.050 1.00 0.00 H new ATOM 0 HG LEU C 48 54.389 10.565 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU C 48 54.604 8.311 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU C 48 55.199 8.317 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.354 8.332 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU C 48 54.843 10.355 1.401 1.00 0.00 H new ATOM 0 HD22 LEU C 48 56.593 10.375 1.076 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.608 11.817 0.733 1.00 0.00 H new ATOM 757 N GLY C 49 55.871 14.055 -2.265 1.00 0.00 N ATOM 758 CA GLY C 49 55.425 15.308 -1.669 1.00 0.00 C ATOM 759 C GLY C 49 56.296 15.685 -0.475 1.00 0.00 C ATOM 760 O GLY C 49 55.899 16.492 0.365 1.00 0.00 O ATOM 0 H GLY C 49 56.664 14.145 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.460 16.102 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.387 15.215 -1.351 1.00 0.00 H new ATOM 764 N GLN C 50 57.485 15.094 -0.407 1.00 0.00 N ATOM 765 CA GLN C 50 58.404 15.376 0.689 1.00 0.00 C ATOM 766 C GLN C 50 59.847 15.372 0.193 1.00 0.00 C ATOM 767 O GLN C 50 60.098 15.369 -1.012 1.00 0.00 O ATOM 768 CB GLN C 50 58.239 14.327 1.791 1.00 0.00 C ATOM 769 CG GLN C 50 58.444 14.986 3.157 1.00 0.00 C ATOM 770 CD GLN C 50 58.233 13.961 4.267 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.854 12.898 4.258 1.00 0.00 O ATOM 772 NE2 GLN C 50 57.388 14.218 5.227 1.00 0.00 N ATOM 0 H GLN C 50 57.832 14.423 -1.092 1.00 0.00 H new ATOM 0 HA GLN C 50 58.172 16.363 1.089 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.247 13.880 1.736 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.960 13.521 1.652 1.00 0.00 H new ATOM 0 HG2 GLN C 50 59.449 15.403 3.222 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.747 15.815 3.279 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.875 15.099 5.232 1.00 0.00 H new ATOM 0 HE22 GLN C 50 57.241 13.538 5.972 1.00 0.00 H new ATOM 781 N ASN C 51 60.790 15.372 1.129 1.00 0.00 N ATOM 782 CA ASN C 51 62.204 15.369 0.775 1.00 0.00 C ATOM 783 C ASN C 51 63.070 15.269 2.026 1.00 0.00 C ATOM 784 O ASN C 51 63.582 16.273 2.522 1.00 0.00 O ATOM 785 CB ASN C 51 62.554 16.647 0.010 1.00 0.00 C ATOM 786 CG ASN C 51 64.061 16.879 0.045 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.511 18.005 0.256 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.871 15.876 -0.151 1.00 0.00 N ATOM 0 H ASN C 51 60.603 15.374 2.132 1.00 0.00 H new ATOM 0 HA ASN C 51 62.399 14.503 0.143 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.214 16.567 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.036 17.498 0.452 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.880 16.024 -0.130 1.00 0.00 H new ATOM 0 HD22 ASN C 51 64.496 14.944 -0.326 1.00 0.00 H new ATOM 795 N PRO C 52 63.238 14.080 2.537 1.00 0.00 N ATOM 796 CA PRO C 52 64.058 13.834 3.758 1.00 0.00 C ATOM 797 C PRO C 52 65.554 13.955 3.479 1.00 0.00 C ATOM 798 O PRO C 52 66.001 13.774 2.346 1.00 0.00 O ATOM 799 CB PRO C 52 63.691 12.404 4.158 1.00 0.00 C ATOM 800 CG PRO C 52 63.242 11.741 2.898 1.00 0.00 C ATOM 801 CD PRO C 52 62.660 12.838 2.003 1.00 0.00 C ATOM 0 HA PRO C 52 63.857 14.565 4.541 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.547 11.886 4.591 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.901 12.397 4.909 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.077 11.242 2.405 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.494 10.977 3.109 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.934 12.688 0.959 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.571 12.853 2.048 1.00 0.00 H new ATOM 809 N THR C 53 66.322 14.262 4.519 1.00 0.00 N ATOM 810 CA THR C 53 67.766 14.404 4.375 1.00 0.00 C ATOM 811 C THR C 53 68.438 13.035 4.334 1.00 0.00 C ATOM 812 O THR C 53 67.831 12.023 4.683 1.00 0.00 O ATOM 813 CB THR C 53 68.331 15.218 5.541 1.00 0.00 C ATOM 814 OG1 THR C 53 69.305 14.444 6.228 1.00 0.00 O ATOM 815 CG2 THR C 53 67.200 15.587 6.502 1.00 0.00 C ATOM 0 H THR C 53 65.972 14.416 5.464 1.00 0.00 H new ATOM 0 HA THR C 53 67.969 14.924 3.439 1.00 0.00 H new ATOM 0 HB THR C 53 68.793 16.129 5.160 1.00 0.00 H new ATOM 0 HG1 THR C 53 69.669 14.964 6.974 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.603 16.167 7.332 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.453 16.180 5.974 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.737 14.678 6.885 1.00 0.00 H new ATOM 823 N PRO C 54 69.674 12.994 3.916 1.00 0.00 N ATOM 824 CA PRO C 54 70.454 11.726 3.825 1.00 0.00 C ATOM 825 C PRO C 54 70.845 11.192 5.201 1.00 0.00 C ATOM 826 O PRO C 54 71.139 10.007 5.357 1.00 0.00 O ATOM 827 CB PRO C 54 71.693 12.118 3.018 1.00 0.00 C ATOM 828 CG PRO C 54 71.859 13.587 3.231 1.00 0.00 C ATOM 829 CD PRO C 54 70.463 14.157 3.485 1.00 0.00 C ATOM 0 HA PRO C 54 69.878 10.924 3.364 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.572 11.570 3.358 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.562 11.887 1.961 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.517 13.783 4.078 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.315 14.055 2.359 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.482 14.932 4.251 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.047 14.609 2.585 1.00 0.00 H new ATOM 837 N GLU C 55 70.846 12.075 6.194 1.00 0.00 N ATOM 838 CA GLU C 55 71.202 11.681 7.552 1.00 0.00 C ATOM 839 C GLU C 55 70.015 11.025 8.249 1.00 0.00 C ATOM 840 O GLU C 55 70.186 10.159 9.106 1.00 0.00 O ATOM 841 CB GLU C 55 71.652 12.906 8.350 1.00 0.00 C ATOM 842 CG GLU C 55 72.923 13.485 7.725 1.00 0.00 C ATOM 843 CD GLU C 55 73.390 14.698 8.522 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.646 15.140 9.382 1.00 0.00 O ATOM 845 OE2 GLU C 55 74.485 15.168 8.261 1.00 0.00 O ATOM 0 H GLU C 55 70.606 13.061 6.086 1.00 0.00 H new ATOM 0 HA GLU C 55 72.019 10.962 7.499 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.863 13.658 8.358 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.838 12.629 9.388 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.707 12.728 7.707 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.732 13.771 6.691 1.00 0.00 H new ATOM 852 N GLU C 56 68.810 11.445 7.875 1.00 0.00 N ATOM 853 CA GLU C 56 67.600 10.891 8.471 1.00 0.00 C ATOM 854 C GLU C 56 67.087 9.715 7.646 1.00 0.00 C ATOM 855 O GLU C 56 66.663 8.698 8.194 1.00 0.00 O ATOM 856 CB GLU C 56 66.518 11.969 8.555 1.00 0.00 C ATOM 857 CG GLU C 56 65.328 11.438 9.356 1.00 0.00 C ATOM 858 CD GLU C 56 64.218 12.483 9.396 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.402 13.537 8.810 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.201 12.214 10.013 1.00 0.00 O ATOM 0 H GLU C 56 68.646 12.161 7.168 1.00 0.00 H new ATOM 0 HA GLU C 56 67.840 10.539 9.474 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.919 12.865 9.030 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.197 12.255 7.554 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.957 10.518 8.904 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.643 11.191 10.370 1.00 0.00 H new ATOM 867 N LEU C 57 67.128 9.863 6.326 1.00 0.00 N ATOM 868 CA LEU C 57 66.665 8.806 5.434 1.00 0.00 C ATOM 869 C LEU C 57 67.041 7.435 5.988 1.00 0.00 C ATOM 870 O LEU C 57 66.239 6.502 5.959 1.00 0.00 O ATOM 871 CB LEU C 57 67.282 8.985 4.046 1.00 0.00 C ATOM 872 CG LEU C 57 66.387 9.893 3.202 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.255 10.753 2.281 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.443 9.035 2.357 1.00 0.00 C ATOM 0 H LEU C 57 67.474 10.698 5.853 1.00 0.00 H new ATOM 0 HA LEU C 57 65.579 8.870 5.359 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.279 9.418 4.133 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.397 8.016 3.560 1.00 0.00 H new ATOM 0 HG LEU C 57 65.803 10.539 3.858 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.617 11.400 1.679 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.928 11.364 2.882 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.839 10.108 1.625 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.805 9.682 1.755 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.027 8.389 1.701 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.824 8.422 3.012 1.00 0.00 H new ATOM 886 N GLN C 58 68.265 7.322 6.491 1.00 0.00 N ATOM 887 CA GLN C 58 68.737 6.060 7.049 1.00 0.00 C ATOM 888 C GLN C 58 67.645 5.402 7.886 1.00 0.00 C ATOM 889 O GLN C 58 67.552 4.176 7.951 1.00 0.00 O ATOM 890 CB GLN C 58 69.972 6.302 7.919 1.00 0.00 C ATOM 891 CG GLN C 58 70.548 4.960 8.376 1.00 0.00 C ATOM 892 CD GLN C 58 71.780 5.190 9.243 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.246 6.321 9.375 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.340 4.177 9.847 1.00 0.00 N ATOM 0 H GLN C 58 68.944 8.082 6.524 1.00 0.00 H new ATOM 0 HA GLN C 58 68.998 5.396 6.225 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.722 6.859 7.357 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.706 6.909 8.784 1.00 0.00 H new ATOM 0 HG2 GLN C 58 69.797 4.405 8.937 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.811 4.354 7.509 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.953 3.240 9.737 1.00 0.00 H new ATOM 0 HE22 GLN C 58 73.165 4.323 10.429 1.00 0.00 H new ATOM 903 N GLU C 59 66.819 6.225 8.524 1.00 0.00 N ATOM 904 CA GLU C 59 65.735 5.712 9.354 1.00 0.00 C ATOM 905 C GLU C 59 64.866 4.742 8.561 1.00 0.00 C ATOM 906 O GLU C 59 64.535 3.657 9.038 1.00 0.00 O ATOM 907 CB GLU C 59 64.876 6.870 9.865 1.00 0.00 C ATOM 908 CG GLU C 59 65.555 7.516 11.074 1.00 0.00 C ATOM 909 CD GLU C 59 67.069 7.482 10.901 1.00 0.00 C ATOM 910 OE1 GLU C 59 67.579 8.302 10.156 1.00 0.00 O ATOM 911 OE2 GLU C 59 67.698 6.636 11.516 1.00 0.00 O ATOM 0 H GLU C 59 66.878 7.242 8.483 1.00 0.00 H new ATOM 0 HA GLU C 59 66.170 5.182 10.201 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.736 7.609 9.076 1.00 0.00 H new ATOM 0 HB3 GLU C 59 63.886 6.508 10.141 1.00 0.00 H new ATOM 0 HG2 GLU C 59 65.216 8.546 11.184 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.273 6.988 11.985 1.00 0.00 H new ATOM 918 N MET C 60 64.500 5.140 7.347 1.00 0.00 N ATOM 919 CA MET C 60 63.669 4.297 6.495 1.00 0.00 C ATOM 920 C MET C 60 64.400 3.006 6.144 1.00 0.00 C ATOM 921 O MET C 60 63.800 2.060 5.632 1.00 0.00 O ATOM 922 CB MET C 60 63.307 5.047 5.212 1.00 0.00 C ATOM 923 CG MET C 60 63.957 6.431 5.228 1.00 0.00 C ATOM 924 SD MET C 60 65.099 6.577 3.831 1.00 0.00 S ATOM 925 CE MET C 60 65.951 4.998 4.068 1.00 0.00 C ATOM 0 H MET C 60 64.763 6.034 6.933 1.00 0.00 H new ATOM 0 HA MET C 60 62.758 4.049 7.039 1.00 0.00 H new ATOM 0 HB2 MET C 60 63.646 4.485 4.342 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.225 5.143 5.128 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.192 7.205 5.168 1.00 0.00 H new ATOM 0 HG3 MET C 60 64.491 6.583 6.166 1.00 0.00 H new ATOM 0 HE1 MET C 60 66.889 5.004 3.513 1.00 0.00 H new ATOM 0 HE2 MET C 60 66.157 4.851 5.128 1.00 0.00 H new ATOM 0 HE3 MET C 60 65.320 4.186 3.705 1.00 0.00 H new ATOM 935 N ILE C 61 65.699 2.973 6.422 1.00 0.00 N ATOM 936 CA ILE C 61 66.503 1.792 6.130 1.00 0.00 C ATOM 937 C ILE C 61 66.809 1.022 7.412 1.00 0.00 C ATOM 938 O ILE C 61 66.747 -0.207 7.439 1.00 0.00 O ATOM 939 CB ILE C 61 67.812 2.204 5.456 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.774 1.799 3.980 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.985 1.505 6.145 1.00 0.00 C ATOM 942 CD1 ILE C 61 68.879 2.535 3.220 1.00 0.00 C ATOM 0 H ILE C 61 66.214 3.744 6.846 1.00 0.00 H new ATOM 0 HA ILE C 61 65.936 1.147 5.458 1.00 0.00 H new ATOM 0 HB ILE C 61 67.936 3.284 5.535 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.908 0.721 3.884 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.801 2.039 3.551 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.918 1.799 5.664 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.013 1.792 7.196 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.862 0.425 6.067 1.00 0.00 H new ATOM 0 HD11 ILE C 61 68.852 2.247 2.169 1.00 0.00 H new ATOM 0 HD12 ILE C 61 68.725 3.611 3.305 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.849 2.273 3.643 1.00 0.00 H new ATOM 954 N ASP C 62 67.140 1.754 8.471 1.00 0.00 N ATOM 955 CA ASP C 62 67.454 1.130 9.751 1.00 0.00 C ATOM 956 C ASP C 62 66.193 0.560 10.392 1.00 0.00 C ATOM 957 O ASP C 62 66.267 -0.261 11.307 1.00 0.00 O ATOM 958 CB ASP C 62 68.087 2.157 10.691 1.00 0.00 C ATOM 959 CG ASP C 62 68.566 1.471 11.966 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.677 0.967 11.963 1.00 0.00 O ATOM 961 OD2 ASP C 62 67.814 1.458 12.927 1.00 0.00 O ATOM 0 H ASP C 62 67.197 2.772 8.469 1.00 0.00 H new ATOM 0 HA ASP C 62 68.158 0.317 9.575 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.925 2.648 10.196 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.362 2.933 10.936 1.00 0.00 H new ATOM 966 N GLU C 63 65.037 1.000 9.905 1.00 0.00 N ATOM 967 CA GLU C 63 63.765 0.526 10.439 1.00 0.00 C ATOM 968 C GLU C 63 63.528 -0.929 10.047 1.00 0.00 C ATOM 969 O GLU C 63 62.692 -1.613 10.636 1.00 0.00 O ATOM 970 CB GLU C 63 62.621 1.392 9.908 1.00 0.00 C ATOM 971 CG GLU C 63 61.339 1.073 10.679 1.00 0.00 C ATOM 972 CD GLU C 63 60.175 1.880 10.113 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.317 2.397 9.017 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.160 1.970 10.784 1.00 0.00 O ATOM 0 H GLU C 63 64.954 1.678 9.148 1.00 0.00 H new ATOM 0 HA GLU C 63 63.800 0.596 11.526 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.870 2.448 10.016 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.474 1.206 8.844 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.120 0.007 10.612 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.473 1.305 11.736 1.00 0.00 H new ATOM 981 N VAL C 64 64.271 -1.396 9.048 1.00 0.00 N ATOM 982 CA VAL C 64 64.133 -2.772 8.585 1.00 0.00 C ATOM 983 C VAL C 64 65.472 -3.305 8.085 1.00 0.00 C ATOM 984 O VAL C 64 65.575 -3.796 6.961 1.00 0.00 O ATOM 985 CB VAL C 64 63.101 -2.843 7.459 1.00 0.00 C ATOM 986 CG1 VAL C 64 63.699 -2.255 6.179 1.00 0.00 C ATOM 987 CG2 VAL C 64 62.714 -4.303 7.215 1.00 0.00 C ATOM 0 H VAL C 64 64.969 -0.847 8.547 1.00 0.00 H new ATOM 0 HA VAL C 64 63.800 -3.386 9.422 1.00 0.00 H new ATOM 0 HB VAL C 64 62.216 -2.273 7.742 1.00 0.00 H new ATOM 0 HG11 VAL C 64 62.963 -2.306 5.377 1.00 0.00 H new ATOM 0 HG12 VAL C 64 63.977 -1.215 6.351 1.00 0.00 H new ATOM 0 HG13 VAL C 64 64.584 -2.825 5.896 1.00 0.00 H new ATOM 0 HG21 VAL C 64 61.978 -4.355 6.412 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.600 -4.872 6.933 1.00 0.00 H new ATOM 0 HG23 VAL C 64 62.288 -4.724 8.126 1.00 0.00 H new ATOM 997 N ASP C 65 66.495 -3.204 8.927 1.00 0.00 N ATOM 998 CA ASP C 65 67.824 -3.680 8.559 1.00 0.00 C ATOM 999 C ASP C 65 68.288 -4.770 9.519 1.00 0.00 C ATOM 1000 O ASP C 65 68.989 -4.497 10.493 1.00 0.00 O ATOM 1001 CB ASP C 65 68.820 -2.518 8.584 1.00 0.00 C ATOM 1002 CG ASP C 65 70.181 -2.988 8.084 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.480 -4.159 8.253 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.905 -2.171 7.540 1.00 0.00 O ATOM 0 H ASP C 65 66.431 -2.800 9.862 1.00 0.00 H new ATOM 0 HA ASP C 65 67.775 -4.095 7.552 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.456 -1.702 7.959 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.911 -2.127 9.598 1.00 0.00 H new ATOM 1009 N GLU C 66 67.891 -6.007 9.238 1.00 0.00 N ATOM 1010 CA GLU C 66 68.272 -7.132 10.084 1.00 0.00 C ATOM 1011 C GLU C 66 69.439 -7.895 9.467 1.00 0.00 C ATOM 1012 O GLU C 66 69.505 -9.122 9.549 1.00 0.00 O ATOM 1013 CB GLU C 66 67.082 -8.076 10.266 1.00 0.00 C ATOM 1014 CG GLU C 66 65.879 -7.287 10.788 1.00 0.00 C ATOM 1015 CD GLU C 66 66.111 -6.883 12.239 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.013 -7.432 12.850 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.384 -6.029 12.719 1.00 0.00 O ATOM 0 H GLU C 66 67.310 -6.255 8.437 1.00 0.00 H new ATOM 0 HA GLU C 66 68.579 -6.744 11.055 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.834 -8.552 9.318 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.339 -8.872 10.965 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.722 -6.399 10.175 1.00 0.00 H new ATOM 0 HG3 GLU C 66 64.975 -7.892 10.710 1.00 0.00 H new ATOM 1024 N ASP C 67 70.359 -7.162 8.848 1.00 0.00 N ATOM 1025 CA ASP C 67 71.520 -7.781 8.220 1.00 0.00 C ATOM 1026 C ASP C 67 72.784 -6.982 8.524 1.00 0.00 C ATOM 1027 O ASP C 67 73.891 -7.519 8.493 1.00 0.00 O ATOM 1028 CB ASP C 67 71.315 -7.858 6.706 1.00 0.00 C ATOM 1029 CG ASP C 67 71.109 -6.459 6.135 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.425 -5.506 6.828 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.637 -6.362 5.014 1.00 0.00 O ATOM 0 H ASP C 67 70.324 -6.146 8.768 1.00 0.00 H new ATOM 0 HA ASP C 67 71.634 -8.787 8.623 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.180 -8.327 6.237 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.451 -8.483 6.479 1.00 0.00 H new ATOM 1036 N GLY C 68 72.610 -5.698 8.818 1.00 0.00 N ATOM 1037 CA GLY C 68 73.744 -4.835 9.127 1.00 0.00 C ATOM 1038 C GLY C 68 74.454 -4.391 7.852 1.00 0.00 C ATOM 1039 O GLY C 68 75.580 -3.896 7.898 1.00 0.00 O ATOM 0 H GLY C 68 71.702 -5.235 8.849 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.401 -3.961 9.680 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.444 -5.365 9.772 1.00 0.00 H new ATOM 1043 N SER C 69 73.789 -4.573 6.716 1.00 0.00 N ATOM 1044 CA SER C 69 74.367 -4.188 5.434 1.00 0.00 C ATOM 1045 C SER C 69 74.236 -2.683 5.217 1.00 0.00 C ATOM 1046 O SER C 69 75.135 -2.046 4.668 1.00 0.00 O ATOM 1047 CB SER C 69 73.662 -4.931 4.299 1.00 0.00 C ATOM 1048 OG SER C 69 72.424 -4.292 4.017 1.00 0.00 O ATOM 0 H SER C 69 72.856 -4.982 6.657 1.00 0.00 H new ATOM 0 HA SER C 69 75.424 -4.453 5.440 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.291 -4.940 3.409 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.492 -5.970 4.580 1.00 0.00 H new ATOM 0 HG SER C 69 71.687 -4.914 4.194 1.00 0.00 H new ATOM 1054 N GLY C 70 73.113 -2.123 5.652 1.00 0.00 N ATOM 1055 CA GLY C 70 72.876 -0.692 5.500 1.00 0.00 C ATOM 1056 C GLY C 70 71.827 -0.424 4.427 1.00 0.00 C ATOM 1057 O GLY C 70 71.018 0.494 4.551 1.00 0.00 O ATOM 0 H GLY C 70 72.357 -2.633 6.109 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.546 -0.271 6.450 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.808 -0.191 5.236 1.00 0.00 H new ATOM 1061 N THR C 71 71.848 -1.233 3.372 1.00 0.00 N ATOM 1062 CA THR C 71 70.893 -1.073 2.281 1.00 0.00 C ATOM 1063 C THR C 71 69.702 -2.007 2.471 1.00 0.00 C ATOM 1064 O THR C 71 69.818 -3.056 3.106 1.00 0.00 O ATOM 1065 CB THR C 71 71.573 -1.374 0.943 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.566 -2.777 0.716 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.015 -0.867 0.976 1.00 0.00 C ATOM 0 H THR C 71 72.510 -2.000 3.250 1.00 0.00 H new ATOM 0 HA THR C 71 70.536 -0.043 2.283 1.00 0.00 H new ATOM 0 HB THR C 71 71.034 -0.873 0.139 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.252 -3.005 0.054 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.498 -1.082 0.023 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.018 0.209 1.150 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.558 -1.366 1.779 1.00 0.00 H new ATOM 1075 N VAL C 72 68.559 -1.620 1.916 1.00 0.00 N ATOM 1076 CA VAL C 72 67.352 -2.431 2.030 1.00 0.00 C ATOM 1077 C VAL C 72 67.159 -3.284 0.780 1.00 0.00 C ATOM 1078 O VAL C 72 67.597 -2.914 -0.309 1.00 0.00 O ATOM 1079 CB VAL C 72 66.133 -1.529 2.228 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.909 -2.173 1.575 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.874 -1.344 3.725 1.00 0.00 C ATOM 0 H VAL C 72 68.442 -0.756 1.386 1.00 0.00 H new ATOM 0 HA VAL C 72 67.460 -3.089 2.892 1.00 0.00 H new ATOM 0 HB VAL C 72 66.321 -0.559 1.768 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.040 -1.530 1.716 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.093 -2.305 0.509 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.720 -3.144 2.034 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.005 -0.701 3.867 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.686 -2.314 4.184 1.00 0.00 H new ATOM 0 HG23 VAL C 72 66.746 -0.884 4.191 1.00 0.00 H new ATOM 1091 N ASP C 73 66.500 -4.426 0.945 1.00 0.00 N ATOM 1092 CA ASP C 73 66.254 -5.324 -0.178 1.00 0.00 C ATOM 1093 C ASP C 73 64.807 -5.805 -0.172 1.00 0.00 C ATOM 1094 O ASP C 73 64.007 -5.386 0.664 1.00 0.00 O ATOM 1095 CB ASP C 73 67.195 -6.528 -0.099 1.00 0.00 C ATOM 1096 CG ASP C 73 68.638 -6.075 -0.292 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.835 -5.025 -0.880 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.525 -6.785 0.153 1.00 0.00 O ATOM 0 H ASP C 73 66.129 -4.750 1.838 1.00 0.00 H new ATOM 0 HA ASP C 73 66.439 -4.778 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.086 -7.022 0.866 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.929 -7.259 -0.863 1.00 0.00 H new ATOM 1103 N PHE C 74 64.478 -6.687 -1.110 1.00 0.00 N ATOM 1104 CA PHE C 74 63.123 -7.219 -1.203 1.00 0.00 C ATOM 1105 C PHE C 74 62.726 -7.903 0.101 1.00 0.00 C ATOM 1106 O PHE C 74 61.544 -8.135 0.356 1.00 0.00 O ATOM 1107 CB PHE C 74 63.034 -8.221 -2.356 1.00 0.00 C ATOM 1108 CG PHE C 74 63.894 -9.422 -2.047 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.254 -9.414 -2.382 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.333 -10.544 -1.426 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.052 -10.529 -2.096 1.00 0.00 C ATOM 1112 CE2 PHE C 74 64.131 -11.659 -1.140 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.490 -11.651 -1.475 1.00 0.00 C ATOM 0 H PHE C 74 65.125 -7.046 -1.812 1.00 0.00 H new ATOM 0 HA PHE C 74 62.439 -6.391 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE C 74 61.999 -8.530 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.363 -7.754 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.687 -8.548 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.284 -10.550 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.101 -10.523 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE C 74 63.698 -12.525 -0.661 1.00 0.00 H new ATOM 0 HZ PHE C 74 66.105 -12.511 -1.254 1.00 0.00 H new ATOM 1123 N ASP C 75 63.720 -8.223 0.922 1.00 0.00 N ATOM 1124 CA ASP C 75 63.462 -8.881 2.198 1.00 0.00 C ATOM 1125 C ASP C 75 63.184 -7.848 3.286 1.00 0.00 C ATOM 1126 O ASP C 75 62.253 -8.001 4.077 1.00 0.00 O ATOM 1127 CB ASP C 75 64.666 -9.735 2.598 1.00 0.00 C ATOM 1128 CG ASP C 75 64.381 -10.456 3.911 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.228 -10.486 4.310 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.319 -10.969 4.499 1.00 0.00 O ATOM 0 H ASP C 75 64.705 -8.039 0.729 1.00 0.00 H new ATOM 0 HA ASP C 75 62.586 -9.519 2.086 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.884 -10.461 1.815 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.550 -9.106 2.704 1.00 0.00 H new ATOM 1135 N GLU C 76 63.998 -6.798 3.320 1.00 0.00 N ATOM 1136 CA GLU C 76 63.830 -5.746 4.315 1.00 0.00 C ATOM 1137 C GLU C 76 62.717 -4.789 3.901 1.00 0.00 C ATOM 1138 O GLU C 76 61.857 -4.434 4.707 1.00 0.00 O ATOM 1139 CB GLU C 76 65.138 -4.969 4.481 1.00 0.00 C ATOM 1140 CG GLU C 76 66.194 -5.876 5.117 1.00 0.00 C ATOM 1141 CD GLU C 76 67.515 -5.126 5.246 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.582 -4.000 4.782 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.441 -5.689 5.807 1.00 0.00 O ATOM 0 H GLU C 76 64.775 -6.654 2.675 1.00 0.00 H new ATOM 0 HA GLU C 76 63.561 -6.210 5.264 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.486 -4.612 3.512 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.975 -4.090 5.105 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.857 -6.207 6.099 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.332 -6.770 4.509 1.00 0.00 H new ATOM 1150 N PHE C 77 62.740 -4.375 2.638 1.00 0.00 N ATOM 1151 CA PHE C 77 61.728 -3.458 2.126 1.00 0.00 C ATOM 1152 C PHE C 77 60.329 -4.023 2.355 1.00 0.00 C ATOM 1153 O PHE C 77 59.512 -3.420 3.051 1.00 0.00 O ATOM 1154 CB PHE C 77 61.946 -3.222 0.630 1.00 0.00 C ATOM 1155 CG PHE C 77 61.361 -1.886 0.240 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.974 -1.737 0.118 1.00 0.00 C ATOM 1157 CD2 PHE C 77 62.206 -0.795 0.001 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.432 -0.498 -0.244 1.00 0.00 C ATOM 1159 CE2 PHE C 77 61.663 0.444 -0.360 1.00 0.00 C ATOM 1160 CZ PHE C 77 60.277 0.592 -0.483 1.00 0.00 C ATOM 0 H PHE C 77 63.443 -4.657 1.955 1.00 0.00 H new ATOM 0 HA PHE C 77 61.818 -2.512 2.660 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.011 -3.246 0.399 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.476 -4.019 0.053 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.322 -2.578 0.303 1.00 0.00 H new ATOM 0 HD2 PHE C 77 63.276 -0.909 0.095 1.00 0.00 H new ATOM 0 HE1 PHE C 77 58.362 -0.383 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE C 77 62.314 1.286 -0.544 1.00 0.00 H new ATOM 0 HZ PHE C 77 59.859 1.548 -0.763 1.00 0.00 H new ATOM 1170 N LEU C 78 60.061 -5.183 1.765 1.00 0.00 N ATOM 1171 CA LEU C 78 58.757 -5.820 1.912 1.00 0.00 C ATOM 1172 C LEU C 78 58.188 -5.562 3.303 1.00 0.00 C ATOM 1173 O LEU C 78 57.073 -5.058 3.444 1.00 0.00 O ATOM 1174 CB LEU C 78 58.884 -7.327 1.681 1.00 0.00 C ATOM 1175 CG LEU C 78 57.692 -7.820 0.859 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.028 -9.174 0.233 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.472 -7.969 1.771 1.00 0.00 C ATOM 0 H LEU C 78 60.723 -5.698 1.185 1.00 0.00 H new ATOM 0 HA LEU C 78 58.080 -5.395 1.171 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.815 -7.548 1.160 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.922 -7.850 2.637 1.00 0.00 H new ATOM 0 HG LEU C 78 57.472 -7.100 0.070 1.00 0.00 H new ATOM 0 HD11 LEU C 78 57.178 -9.525 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU C 78 58.897 -9.069 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.248 -9.894 1.021 1.00 0.00 H new ATOM 0 HD21 LEU C 78 55.622 -8.320 1.187 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.693 -8.689 2.559 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.232 -7.004 2.218 1.00 0.00 H new ATOM 1189 N VAL C 79 58.959 -5.912 4.327 1.00 0.00 N ATOM 1190 CA VAL C 79 58.520 -5.714 5.704 1.00 0.00 C ATOM 1191 C VAL C 79 58.178 -4.248 5.952 1.00 0.00 C ATOM 1192 O VAL C 79 57.220 -3.936 6.658 1.00 0.00 O ATOM 1193 CB VAL C 79 59.621 -6.154 6.671 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.467 -5.403 7.995 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.505 -7.659 6.922 1.00 0.00 C ATOM 0 H VAL C 79 59.884 -6.331 4.231 1.00 0.00 H new ATOM 0 HA VAL C 79 57.627 -6.317 5.871 1.00 0.00 H new ATOM 0 HB VAL C 79 60.596 -5.931 6.238 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.251 -5.716 8.684 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.548 -4.331 7.817 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.492 -5.626 8.429 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.289 -7.974 7.611 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.530 -7.882 7.355 1.00 0.00 H new ATOM 0 HG23 VAL C 79 59.614 -8.195 5.979 1.00 0.00 H new ATOM 1205 N MET C 80 58.968 -3.354 5.367 1.00 0.00 N ATOM 1206 CA MET C 80 58.739 -1.923 5.532 1.00 0.00 C ATOM 1207 C MET C 80 57.314 -1.558 5.129 1.00 0.00 C ATOM 1208 O MET C 80 56.813 -0.491 5.483 1.00 0.00 O ATOM 1209 CB MET C 80 59.732 -1.133 4.677 1.00 0.00 C ATOM 1210 CG MET C 80 59.624 0.356 5.013 1.00 0.00 C ATOM 1211 SD MET C 80 60.620 1.312 3.842 1.00 0.00 S ATOM 1212 CE MET C 80 60.366 2.935 4.602 1.00 0.00 C ATOM 0 H MET C 80 59.767 -3.592 4.779 1.00 0.00 H new ATOM 0 HA MET C 80 58.883 -1.670 6.582 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.747 -1.485 4.861 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.525 -1.294 3.619 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.583 0.676 4.967 1.00 0.00 H new ATOM 0 HG3 MET C 80 59.968 0.536 6.031 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.797 3.707 3.964 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.298 3.118 4.721 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.850 2.959 5.579 1.00 0.00 H new ATOM 1222 N MET C 81 56.667 -2.451 4.388 1.00 0.00 N ATOM 1223 CA MET C 81 55.299 -2.212 3.943 1.00 0.00 C ATOM 1224 C MET C 81 54.301 -2.778 4.948 1.00 0.00 C ATOM 1225 O MET C 81 53.311 -2.130 5.287 1.00 0.00 O ATOM 1226 CB MET C 81 55.074 -2.862 2.576 1.00 0.00 C ATOM 1227 CG MET C 81 55.857 -2.094 1.510 1.00 0.00 C ATOM 1228 SD MET C 81 55.136 -0.447 1.301 1.00 0.00 S ATOM 1229 CE MET C 81 56.404 0.472 2.206 1.00 0.00 C ATOM 0 H MET C 81 57.064 -3.340 4.085 1.00 0.00 H new ATOM 0 HA MET C 81 55.146 -1.136 3.864 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.396 -3.903 2.599 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.012 -2.862 2.332 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.904 -2.010 1.802 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.833 -2.636 0.565 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.930 1.238 2.820 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.962 -0.212 2.846 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.085 0.945 1.499 1.00 0.00 H new ATOM 1239 N VAL C 82 54.568 -3.992 5.420 1.00 0.00 N ATOM 1240 CA VAL C 82 53.686 -4.635 6.387 1.00 0.00 C ATOM 1241 C VAL C 82 53.577 -3.796 7.655 1.00 0.00 C ATOM 1242 O VAL C 82 52.498 -3.666 8.234 1.00 0.00 O ATOM 1243 CB VAL C 82 54.220 -6.025 6.736 1.00 0.00 C ATOM 1244 CG1 VAL C 82 55.186 -5.919 7.918 1.00 0.00 C ATOM 1245 CG2 VAL C 82 53.052 -6.939 7.114 1.00 0.00 C ATOM 0 H VAL C 82 55.381 -4.546 5.151 1.00 0.00 H new ATOM 0 HA VAL C 82 52.696 -4.728 5.942 1.00 0.00 H new ATOM 0 HB VAL C 82 54.744 -6.440 5.875 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.567 -6.910 8.167 1.00 0.00 H new ATOM 0 HG12 VAL C 82 56.018 -5.267 7.651 1.00 0.00 H new ATOM 0 HG13 VAL C 82 54.663 -5.504 8.780 1.00 0.00 H new ATOM 0 HG21 VAL C 82 53.431 -7.930 7.363 1.00 0.00 H new ATOM 0 HG22 VAL C 82 52.529 -6.524 7.975 1.00 0.00 H new ATOM 0 HG23 VAL C 82 52.363 -7.015 6.273 1.00 0.00 H new ATOM 1255 N ARG C 83 54.700 -3.229 8.082 1.00 0.00 N ATOM 1256 CA ARG C 83 54.718 -2.404 9.285 1.00 0.00 C ATOM 1257 C ARG C 83 53.779 -1.212 9.131 1.00 0.00 C ATOM 1258 O ARG C 83 53.200 -0.736 10.108 1.00 0.00 O ATOM 1259 CB ARG C 83 56.139 -1.904 9.554 1.00 0.00 C ATOM 1260 CG ARG C 83 56.182 -1.192 10.907 1.00 0.00 C ATOM 1261 CD ARG C 83 57.601 -0.685 11.173 1.00 0.00 C ATOM 1262 NE ARG C 83 57.668 -0.035 12.477 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.707 -0.747 13.598 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.684 -2.051 13.544 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.767 -0.143 14.753 1.00 0.00 N ATOM 0 H ARG C 83 55.603 -3.324 7.618 1.00 0.00 H new ATOM 0 HA ARG C 83 54.381 -3.012 10.125 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.837 -2.741 9.549 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.452 -1.223 8.763 1.00 0.00 H new ATOM 0 HG2 ARG C 83 55.480 -0.359 10.914 1.00 0.00 H new ATOM 0 HG3 ARG C 83 55.874 -1.875 11.699 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.305 -1.517 11.137 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.896 0.017 10.393 1.00 0.00 H new ATOM 0 HE ARG C 83 57.685 0.984 12.529 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.636 -2.523 12.641 1.00 0.00 H new ATOM 0 HH12 ARG C 83 57.714 -2.598 14.405 1.00 0.00 H new ATOM 0 HH21 ARG C 83 57.784 0.876 14.795 1.00 0.00 H new ATOM 0 HH22 ARG C 83 57.797 -0.690 15.614 1.00 0.00 H new ATOM 1279 N CYS C 84 53.632 -0.735 7.900 1.00 0.00 N ATOM 1280 CA CYS C 84 52.760 0.402 7.630 1.00 0.00 C ATOM 1281 C CYS C 84 51.516 -0.045 6.868 1.00 0.00 C ATOM 1282 O CYS C 84 51.065 0.633 5.945 1.00 0.00 O ATOM 1283 CB CYS C 84 53.511 1.455 6.813 1.00 0.00 C ATOM 1284 SG CYS C 84 54.933 2.052 7.759 1.00 0.00 S ATOM 0 H CYS C 84 54.102 -1.115 7.078 1.00 0.00 H new ATOM 0 HA CYS C 84 52.453 0.834 8.583 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.844 1.027 5.867 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.847 2.285 6.572 1.00 0.00 H new ATOM 0 HG CYS C 84 55.573 2.945 7.064 1.00 0.00 H new ATOM 1290 N MET C 85 50.967 -1.189 7.261 1.00 0.00 N ATOM 1291 CA MET C 85 49.775 -1.717 6.608 1.00 0.00 C ATOM 1292 C MET C 85 48.632 -0.710 6.684 1.00 0.00 C ATOM 1293 O MET C 85 48.317 -0.038 5.702 1.00 0.00 O ATOM 1294 CB MET C 85 49.350 -3.027 7.275 1.00 0.00 C ATOM 1295 CG MET C 85 48.486 -3.837 6.306 1.00 0.00 C ATOM 1296 SD MET C 85 47.855 -5.309 7.148 1.00 0.00 S ATOM 1297 CE MET C 85 46.447 -4.518 7.964 1.00 0.00 C ATOM 0 H MET C 85 51.325 -1.765 8.023 1.00 0.00 H new ATOM 0 HA MET C 85 50.010 -1.904 5.560 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.230 -3.603 7.563 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.793 -2.818 8.188 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.657 -3.228 5.945 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.072 -4.127 5.434 1.00 0.00 H new ATOM 0 HE1 MET C 85 45.815 -5.280 8.419 1.00 0.00 H new ATOM 0 HE2 MET C 85 46.808 -3.839 8.736 1.00 0.00 H new ATOM 0 HE3 MET C 85 45.868 -3.958 7.229 1.00 0.00 H new ATOM 1307 N LYS C 86 48.013 -0.613 7.856 1.00 0.00 N ATOM 1308 CA LYS C 86 46.905 0.316 8.049 1.00 0.00 C ATOM 1309 C LYS C 86 47.081 1.096 9.348 1.00 0.00 C ATOM 1310 O LYS C 86 47.600 0.572 10.334 1.00 0.00 O ATOM 1311 CB LYS C 86 45.582 -0.450 8.086 1.00 0.00 C ATOM 1312 CG LYS C 86 45.274 -1.006 6.694 1.00 0.00 C ATOM 1313 CD LYS C 86 43.871 -1.615 6.686 1.00 0.00 C ATOM 1314 CE LYS C 86 43.634 -2.334 5.357 1.00 0.00 C ATOM 1315 NZ LYS C 86 42.208 -2.175 4.954 1.00 0.00 N ATOM 0 H LYS C 86 48.257 -1.161 8.681 1.00 0.00 H new ATOM 0 HA LYS C 86 46.894 1.018 7.215 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.641 -1.263 8.809 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.777 0.209 8.412 1.00 0.00 H new ATOM 0 HG2 LYS C 86 45.341 -0.212 5.951 1.00 0.00 H new ATOM 0 HG3 LYS C 86 46.011 -1.761 6.421 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.762 -2.315 7.515 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.123 -0.834 6.828 1.00 0.00 H new ATOM 0 HE2 LYS C 86 44.288 -1.924 4.588 1.00 0.00 H new ATOM 0 HE3 LYS C 86 43.880 -3.391 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 42.046 -2.664 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 41.593 -2.586 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 41.989 -1.164 4.845 1.00 0.00 H new ATOM 1329 N ASP C 87 46.644 2.352 9.342 1.00 0.00 N ATOM 1330 CA ASP C 87 46.758 3.195 10.526 1.00 0.00 C ATOM 1331 C ASP C 87 45.525 3.047 11.411 1.00 0.00 C ATOM 1332 O ASP C 87 44.412 3.380 11.003 1.00 0.00 O ATOM 1333 CB ASP C 87 46.917 4.659 10.111 1.00 0.00 C ATOM 1334 CG ASP C 87 48.224 4.845 9.348 1.00 0.00 C ATOM 1335 OD1 ASP C 87 49.038 3.937 9.376 1.00 0.00 O ATOM 1336 OD2 ASP C 87 48.393 5.894 8.747 1.00 0.00 O ATOM 0 H ASP C 87 46.211 2.805 8.537 1.00 0.00 H new ATOM 0 HA ASP C 87 47.636 2.879 11.090 1.00 0.00 H new ATOM 0 HB2 ASP C 87 46.076 4.962 9.488 1.00 0.00 H new ATOM 0 HB3 ASP C 87 46.907 5.299 10.993 1.00 0.00 H new ATOM 1341 N ASP C 88 45.730 2.544 12.624 1.00 0.00 N ATOM 1342 CA ASP C 88 44.626 2.356 13.559 1.00 0.00 C ATOM 1343 C ASP C 88 45.126 2.425 14.999 1.00 0.00 C ATOM 1344 O ASP C 88 44.640 1.704 15.870 1.00 0.00 O ATOM 1345 CB ASP C 88 43.959 1.001 13.313 1.00 0.00 C ATOM 1346 CG ASP C 88 44.926 -0.126 13.657 1.00 0.00 C ATOM 1347 OD1 ASP C 88 45.687 -0.514 12.785 1.00 0.00 O ATOM 1348 OD2 ASP C 88 44.892 -0.585 14.787 1.00 0.00 O ATOM 0 H ASP C 88 46.643 2.261 12.981 1.00 0.00 H new ATOM 0 HA ASP C 88 43.900 3.153 13.400 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.057 0.915 13.919 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.651 0.922 12.270 1.00 0.00 H new ATOM 1353 N SER C 89 46.098 3.298 15.241 1.00 0.00 N ATOM 1354 CA SER C 89 46.656 3.454 16.579 1.00 0.00 C ATOM 1355 C SER C 89 46.007 4.632 17.297 1.00 0.00 C ATOM 1356 O SER C 89 45.585 4.453 18.427 1.00 0.00 O ATOM 1357 CB SER C 89 48.166 3.676 16.492 1.00 0.00 C ATOM 1358 OG SER C 89 48.640 4.174 17.737 1.00 0.00 O ATOM 1359 OXT SER C 89 45.942 5.698 16.706 1.00 0.00 O ATOM 0 H SER C 89 46.513 3.904 14.534 1.00 0.00 H new ATOM 0 HA SER C 89 46.455 2.544 17.144 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.669 2.741 16.246 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.396 4.381 15.694 1.00 0.00 H new ATOM 0 HG SER C 89 49.608 4.316 17.685 1.00 0.00 H new ATOM 1430 N ASP I 119 50.514 3.249 2.636 1.00 0.00 N ATOM 1431 CA ASP I 119 49.314 3.730 1.962 1.00 0.00 C ATOM 1432 C ASP I 119 49.644 4.918 1.063 1.00 0.00 C ATOM 1433 O ASP I 119 49.158 5.010 -0.064 1.00 0.00 O ATOM 1434 CB ASP I 119 48.265 4.145 2.995 1.00 0.00 C ATOM 1435 CG ASP I 119 47.798 2.926 3.783 1.00 0.00 C ATOM 1436 OD1 ASP I 119 48.090 1.821 3.355 1.00 0.00 O ATOM 1437 OD2 ASP I 119 47.156 3.115 4.802 1.00 0.00 O ATOM 0 HA ASP I 119 48.917 2.922 1.347 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.685 4.888 3.673 1.00 0.00 H new ATOM 0 HB3 ASP I 119 47.416 4.613 2.496 1.00 0.00 H new ATOM 1442 N ALA I 120 50.474 5.824 1.570 1.00 0.00 N ATOM 1443 CA ALA I 120 50.862 7.003 0.804 1.00 0.00 C ATOM 1444 C ALA I 120 51.890 6.634 -0.261 1.00 0.00 C ATOM 1445 O ALA I 120 51.795 7.073 -1.407 1.00 0.00 O ATOM 1446 CB ALA I 120 51.449 8.062 1.738 1.00 0.00 C ATOM 0 H ALA I 120 50.888 5.766 2.500 1.00 0.00 H new ATOM 0 HA ALA I 120 49.975 7.404 0.313 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.736 8.939 1.158 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.703 8.346 2.480 1.00 0.00 H new ATOM 0 HB3 ALA I 120 52.327 7.657 2.242 1.00 0.00 H new ATOM 1452 N MET I 121 52.872 5.827 0.125 1.00 0.00 N ATOM 1453 CA MET I 121 53.913 5.406 -0.806 1.00 0.00 C ATOM 1454 C MET I 121 53.313 4.588 -1.945 1.00 0.00 C ATOM 1455 O MET I 121 53.942 4.401 -2.986 1.00 0.00 O ATOM 1456 CB MET I 121 54.963 4.570 -0.072 1.00 0.00 C ATOM 1457 CG MET I 121 56.203 4.417 -0.955 1.00 0.00 C ATOM 1458 SD MET I 121 57.169 2.992 -0.398 1.00 0.00 S ATOM 1459 CE MET I 121 56.180 1.715 -1.215 1.00 0.00 C ATOM 0 H MET I 121 52.969 5.453 1.069 1.00 0.00 H new ATOM 0 HA MET I 121 54.385 6.296 -1.222 1.00 0.00 H new ATOM 0 HB2 MET I 121 55.231 5.049 0.870 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.555 3.589 0.174 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.907 4.285 -1.996 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.809 5.321 -0.908 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.782 0.815 -1.343 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.307 1.485 -0.604 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.855 2.075 -2.191 1.00 0.00 H new ATOM 1469 N LEU I 122 52.093 4.102 -1.739 1.00 0.00 N ATOM 1470 CA LEU I 122 51.418 3.305 -2.757 1.00 0.00 C ATOM 1471 C LEU I 122 50.574 4.196 -3.662 1.00 0.00 C ATOM 1472 O LEU I 122 50.246 3.820 -4.788 1.00 0.00 O ATOM 1473 CB LEU I 122 50.523 2.257 -2.091 1.00 0.00 C ATOM 1474 CG LEU I 122 51.341 0.997 -1.803 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.773 1.389 -1.437 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.708 0.236 -0.636 1.00 0.00 C ATOM 0 H LEU I 122 51.555 4.244 -0.884 1.00 0.00 H new ATOM 0 HA LEU I 122 52.175 2.805 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU I 122 50.108 2.654 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.681 2.017 -2.740 1.00 0.00 H new ATOM 0 HG LEU I 122 51.354 0.362 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.355 0.491 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.225 1.933 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.761 2.024 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.290 -0.662 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.696 0.872 0.249 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.687 -0.044 -0.895 1.00 0.00 H new