USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 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 79 THR OG1 : rot -7:sc= 0.657 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00388 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.159 (180deg=-0.511) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1 K(o=-1,f=-2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 1.22 (180deg=-0.165) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 90:sc= -1.57 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0301) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0317) USER MOD Single : A 56 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 99:sc= 0.031 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 89:sc= 0.291 USER MOD Single : A 83 SER OG : rot 180:sc= -0.232 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.57) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.159 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -56.119 11.484-101.910 1.00 13.00 N ATOM 2 CA GLY A 1 -55.027 11.250-100.984 1.00 45.03 C ATOM 3 C GLY A 1 -55.509 10.768 -99.630 1.00 43.44 C ATOM 4 O GLY A 1 -56.502 11.269 -99.102 1.00 74.41 O ATOM 0 H1 GLY A 1 -55.876 12.274-102.541 1.00 13.00 H new ATOM 0 H2 GLY A 1 -56.284 10.627-102.475 1.00 13.00 H new ATOM 0 H3 GLY A 1 -56.981 11.719-101.378 1.00 13.00 H new ATOM 0 HA2 GLY A 1 -54.347 10.511-101.408 1.00 45.03 H new ATOM 0 HA3 GLY A 1 -54.458 12.171-100.857 1.00 45.03 H new ATOM 10 N SER A 2 -54.804 9.792 -99.065 1.00 10.44 N ATOM 11 CA SER A 2 -55.170 9.239 -97.766 1.00 21.42 C ATOM 12 C SER A 2 -53.962 9.195 -96.836 1.00 10.31 C ATOM 13 O SER A 2 -53.134 8.289 -96.918 1.00 44.30 O ATOM 14 CB SER A 2 -55.750 7.833 -97.933 1.00 11.33 C ATOM 15 OG SER A 2 -55.304 7.236 -99.137 1.00 14.11 O ATOM 0 H SER A 2 -53.977 9.369 -99.486 1.00 10.44 H new ATOM 0 HA SER A 2 -55.926 9.886 -97.322 1.00 21.42 H new ATOM 0 HB2 SER A 2 -55.457 7.213 -97.086 1.00 11.33 H new ATOM 0 HB3 SER A 2 -56.839 7.883 -97.930 1.00 11.33 H new ATOM 0 HG SER A 2 -55.688 6.338 -99.219 1.00 14.11 H new ATOM 21 N MET A 3 -53.870 10.183 -95.951 1.00 44.13 N ATOM 22 CA MET A 3 -52.764 10.258 -95.003 1.00 44.41 C ATOM 23 C MET A 3 -53.264 10.099 -93.571 1.00 5.41 C ATOM 24 O MET A 3 -52.710 10.683 -92.639 1.00 52.45 O ATOM 25 CB MET A 3 -52.025 11.589 -95.153 1.00 4.44 C ATOM 26 CG MET A 3 -51.505 11.841 -96.559 1.00 21.30 C ATOM 27 SD MET A 3 -52.061 13.418 -97.233 1.00 40.03 S ATOM 28 CE MET A 3 -50.773 13.745 -98.433 1.00 71.35 C ATOM 0 H MET A 3 -54.547 10.942 -95.871 1.00 44.13 H new ATOM 0 HA MET A 3 -52.075 9.442 -95.221 1.00 44.41 H new ATOM 0 HB2 MET A 3 -52.695 12.401 -94.872 1.00 4.44 H new ATOM 0 HB3 MET A 3 -51.188 11.611 -94.456 1.00 4.44 H new ATOM 0 HG2 MET A 3 -50.415 11.819 -96.549 1.00 21.30 H new ATOM 0 HG3 MET A 3 -51.834 11.034 -97.214 1.00 21.30 H new ATOM 0 HE1 MET A 3 -50.976 14.691 -98.936 1.00 71.35 H new ATOM 0 HE2 MET A 3 -49.810 13.803 -97.926 1.00 71.35 H new ATOM 0 HE3 MET A 3 -50.748 12.941 -99.169 1.00 71.35 H new ATOM 38 N LYS A 4 -54.317 9.306 -93.400 1.00 1.21 N ATOM 39 CA LYS A 4 -54.892 9.070 -92.082 1.00 23.21 C ATOM 40 C LYS A 4 -54.087 8.024 -91.317 1.00 25.15 C ATOM 41 O LYS A 4 -53.552 7.084 -91.906 1.00 4.23 O ATOM 42 CB LYS A 4 -56.348 8.614 -92.211 1.00 54.32 C ATOM 43 CG LYS A 4 -57.312 9.744 -92.525 1.00 12.42 C ATOM 44 CD LYS A 4 -57.624 9.815 -94.011 1.00 44.33 C ATOM 45 CE LYS A 4 -59.092 10.128 -94.258 1.00 41.10 C ATOM 46 NZ LYS A 4 -59.853 8.920 -94.683 1.00 42.52 N ATOM 0 H LYS A 4 -54.789 8.816 -94.159 1.00 1.21 H new ATOM 0 HA LYS A 4 -54.859 10.007 -91.526 1.00 23.21 H new ATOM 0 HB2 LYS A 4 -56.416 7.861 -92.996 1.00 54.32 H new ATOM 0 HB3 LYS A 4 -56.654 8.134 -91.281 1.00 54.32 H new ATOM 0 HG2 LYS A 4 -58.236 9.601 -91.965 1.00 12.42 H new ATOM 0 HG3 LYS A 4 -56.883 10.691 -92.197 1.00 12.42 H new ATOM 0 HD2 LYS A 4 -57.004 10.580 -94.478 1.00 44.33 H new ATOM 0 HD3 LYS A 4 -57.369 8.866 -94.483 1.00 44.33 H new ATOM 0 HE2 LYS A 4 -59.535 10.535 -93.349 1.00 41.10 H new ATOM 0 HE3 LYS A 4 -59.175 10.898 -95.025 1.00 41.10 H new ATOM 0 HZ1 LYS A 4 -60.849 9.175 -94.841 1.00 42.52 H new ATOM 0 HZ2 LYS A 4 -59.447 8.546 -95.564 1.00 42.52 H new ATOM 0 HZ3 LYS A 4 -59.795 8.194 -93.940 1.00 42.52 H new ATOM 60 N LYS A 5 -54.006 8.191 -90.001 1.00 1.25 N ATOM 61 CA LYS A 5 -53.270 7.261 -89.154 1.00 1.04 C ATOM 62 C LYS A 5 -53.690 7.403 -87.695 1.00 14.44 C ATOM 63 O LYS A 5 -53.844 8.515 -87.188 1.00 0.15 O ATOM 64 CB LYS A 5 -51.764 7.500 -89.288 1.00 21.12 C ATOM 65 CG LYS A 5 -50.977 6.246 -89.630 1.00 2.04 C ATOM 66 CD LYS A 5 -49.673 6.580 -90.333 1.00 50.43 C ATOM 67 CE LYS A 5 -48.561 5.626 -89.928 1.00 64.10 C ATOM 68 NZ LYS A 5 -48.488 4.444 -90.832 1.00 4.14 N ATOM 0 H LYS A 5 -54.442 8.964 -89.498 1.00 1.25 H new ATOM 0 HA LYS A 5 -53.502 6.248 -89.483 1.00 1.04 H new ATOM 0 HB2 LYS A 5 -51.591 8.249 -90.060 1.00 21.12 H new ATOM 0 HB3 LYS A 5 -51.385 7.913 -88.353 1.00 21.12 H new ATOM 0 HG2 LYS A 5 -50.767 5.687 -88.718 1.00 2.04 H new ATOM 0 HG3 LYS A 5 -51.580 5.600 -90.268 1.00 2.04 H new ATOM 0 HD2 LYS A 5 -49.818 6.534 -91.412 1.00 50.43 H new ATOM 0 HD3 LYS A 5 -49.381 7.603 -90.094 1.00 50.43 H new ATOM 0 HE2 LYS A 5 -47.607 6.153 -89.942 1.00 64.10 H new ATOM 0 HE3 LYS A 5 -48.725 5.291 -88.904 1.00 64.10 H new ATOM 0 HZ1 LYS A 5 -47.718 3.818 -90.523 1.00 4.14 H new ATOM 0 HZ2 LYS A 5 -49.389 3.926 -90.800 1.00 4.14 H new ATOM 0 HZ3 LYS A 5 -48.306 4.762 -91.805 1.00 4.14 H new ATOM 82 N LYS A 6 -53.874 6.271 -87.023 1.00 54.22 N ATOM 83 CA LYS A 6 -54.274 6.269 -85.621 1.00 35.40 C ATOM 84 C LYS A 6 -54.132 4.875 -85.018 1.00 11.30 C ATOM 85 O LYS A 6 -54.465 3.877 -85.654 1.00 23.21 O ATOM 86 CB LYS A 6 -55.719 6.753 -85.481 1.00 60.22 C ATOM 87 CG LYS A 6 -55.843 8.110 -84.811 1.00 4.32 C ATOM 88 CD LYS A 6 -56.782 9.026 -85.577 1.00 0.41 C ATOM 89 CE LYS A 6 -58.219 8.882 -85.095 1.00 75.42 C ATOM 90 NZ LYS A 6 -58.737 7.502 -85.305 1.00 4.32 N ATOM 0 H LYS A 6 -53.752 5.343 -87.428 1.00 54.22 H new ATOM 0 HA LYS A 6 -53.616 6.949 -85.079 1.00 35.40 H new ATOM 0 HB2 LYS A 6 -56.174 6.802 -86.470 1.00 60.22 H new ATOM 0 HB3 LYS A 6 -56.285 6.020 -84.906 1.00 60.22 H new ATOM 0 HG2 LYS A 6 -56.209 7.982 -83.792 1.00 4.32 H new ATOM 0 HG3 LYS A 6 -54.859 8.573 -84.740 1.00 4.32 H new ATOM 0 HD2 LYS A 6 -56.459 10.060 -85.459 1.00 0.41 H new ATOM 0 HD3 LYS A 6 -56.729 8.795 -86.641 1.00 0.41 H new ATOM 0 HE2 LYS A 6 -58.274 9.134 -84.036 1.00 75.42 H new ATOM 0 HE3 LYS A 6 -58.853 9.593 -85.625 1.00 75.42 H new ATOM 0 HZ1 LYS A 6 -59.766 7.491 -85.158 1.00 4.32 H new ATOM 0 HZ2 LYS A 6 -58.523 7.195 -86.275 1.00 4.32 H new ATOM 0 HZ3 LYS A 6 -58.284 6.855 -84.629 1.00 4.32 H new ATOM 104 N GLU A 7 -53.637 4.818 -83.785 1.00 62.10 N ATOM 105 CA GLU A 7 -53.452 3.546 -83.096 1.00 33.24 C ATOM 106 C GLU A 7 -53.200 3.764 -81.608 1.00 44.53 C ATOM 107 O GLU A 7 -52.339 4.556 -81.221 1.00 23.25 O ATOM 108 CB GLU A 7 -52.286 2.771 -83.714 1.00 24.12 C ATOM 109 CG GLU A 7 -51.040 3.613 -83.929 1.00 4.41 C ATOM 110 CD GLU A 7 -49.858 2.795 -84.410 1.00 15.03 C ATOM 111 OE1 GLU A 7 -49.863 1.565 -84.198 1.00 22.35 O ATOM 112 OE2 GLU A 7 -48.929 3.385 -85.000 1.00 35.10 O ATOM 0 H GLU A 7 -53.357 5.636 -83.244 1.00 62.10 H new ATOM 0 HA GLU A 7 -54.367 2.964 -83.210 1.00 33.24 H new ATOM 0 HB2 GLU A 7 -52.038 1.929 -83.068 1.00 24.12 H new ATOM 0 HB3 GLU A 7 -52.603 2.356 -84.671 1.00 24.12 H new ATOM 0 HG2 GLU A 7 -51.256 4.395 -84.657 1.00 4.41 H new ATOM 0 HG3 GLU A 7 -50.777 4.110 -82.995 1.00 4.41 H new ATOM 119 N LYS A 8 -53.958 3.059 -80.774 1.00 75.55 N ATOM 120 CA LYS A 8 -53.818 3.173 -79.329 1.00 45.35 C ATOM 121 C LYS A 8 -54.221 1.875 -78.638 1.00 44.14 C ATOM 122 O LYS A 8 -54.769 0.970 -79.266 1.00 72.10 O ATOM 123 CB LYS A 8 -54.673 4.329 -78.803 1.00 40.24 C ATOM 124 CG LYS A 8 -53.858 5.493 -78.265 1.00 14.10 C ATOM 125 CD LYS A 8 -54.744 6.532 -77.599 1.00 54.45 C ATOM 126 CE LYS A 8 -53.922 7.660 -76.993 1.00 62.45 C ATOM 127 NZ LYS A 8 -54.183 8.961 -77.665 1.00 13.43 N ATOM 0 H LYS A 8 -54.677 2.402 -81.076 1.00 75.55 H new ATOM 0 HA LYS A 8 -52.770 3.372 -79.106 1.00 45.35 H new ATOM 0 HB2 LYS A 8 -55.317 4.688 -79.606 1.00 40.24 H new ATOM 0 HB3 LYS A 8 -55.325 3.957 -78.013 1.00 40.24 H new ATOM 0 HG2 LYS A 8 -53.125 5.124 -77.547 1.00 14.10 H new ATOM 0 HG3 LYS A 8 -53.301 5.956 -79.080 1.00 14.10 H new ATOM 0 HD2 LYS A 8 -55.441 6.941 -78.331 1.00 54.45 H new ATOM 0 HD3 LYS A 8 -55.342 6.057 -76.821 1.00 54.45 H new ATOM 0 HE2 LYS A 8 -54.153 7.747 -75.931 1.00 62.45 H new ATOM 0 HE3 LYS A 8 -52.862 7.418 -77.070 1.00 62.45 H new ATOM 0 HZ1 LYS A 8 -53.604 9.703 -77.222 1.00 13.43 H new ATOM 0 HZ2 LYS A 8 -53.939 8.886 -78.673 1.00 13.43 H new ATOM 0 HZ3 LYS A 8 -55.189 9.205 -77.570 1.00 13.43 H new ATOM 141 N GLY A 9 -53.946 1.789 -77.340 1.00 43.44 N ATOM 142 CA GLY A 9 -54.288 0.598 -76.585 1.00 72.24 C ATOM 143 C GLY A 9 -53.427 0.427 -75.349 1.00 53.11 C ATOM 144 O GLY A 9 -52.977 -0.677 -75.044 1.00 71.34 O ATOM 0 H GLY A 9 -53.492 2.524 -76.798 1.00 43.44 H new ATOM 0 HA2 GLY A 9 -55.336 0.647 -76.290 1.00 72.24 H new ATOM 0 HA3 GLY A 9 -54.178 -0.278 -77.225 1.00 72.24 H new ATOM 148 N LYS A 10 -53.196 1.523 -74.635 1.00 31.01 N ATOM 149 CA LYS A 10 -52.383 1.493 -73.425 1.00 25.43 C ATOM 150 C LYS A 10 -52.893 2.501 -72.400 1.00 73.22 C ATOM 151 O LYS A 10 -52.347 3.596 -72.270 1.00 71.51 O ATOM 152 CB LYS A 10 -50.920 1.786 -73.760 1.00 35.23 C ATOM 153 CG LYS A 10 -50.275 0.731 -74.643 1.00 72.22 C ATOM 154 CD LYS A 10 -48.889 1.155 -75.097 1.00 53.31 C ATOM 155 CE LYS A 10 -48.014 -0.048 -75.418 1.00 12.34 C ATOM 156 NZ LYS A 10 -46.927 0.296 -76.376 1.00 1.44 N ATOM 0 H LYS A 10 -53.561 2.445 -74.874 1.00 31.01 H new ATOM 0 HA LYS A 10 -52.457 0.495 -72.994 1.00 25.43 H new ATOM 0 HB2 LYS A 10 -50.857 2.753 -74.259 1.00 35.23 H new ATOM 0 HB3 LYS A 10 -50.353 1.868 -72.833 1.00 35.23 H new ATOM 0 HG2 LYS A 10 -50.208 -0.210 -74.097 1.00 72.22 H new ATOM 0 HG3 LYS A 10 -50.905 0.550 -75.514 1.00 72.22 H new ATOM 0 HD2 LYS A 10 -48.973 1.791 -75.978 1.00 53.31 H new ATOM 0 HD3 LYS A 10 -48.416 1.752 -74.317 1.00 53.31 H new ATOM 0 HE2 LYS A 10 -47.577 -0.435 -74.497 1.00 12.34 H new ATOM 0 HE3 LYS A 10 -48.630 -0.843 -75.838 1.00 12.34 H new ATOM 0 HZ1 LYS A 10 -46.354 -0.550 -76.569 1.00 1.44 H new ATOM 0 HZ2 LYS A 10 -47.343 0.642 -77.264 1.00 1.44 H new ATOM 0 HZ3 LYS A 10 -46.324 1.037 -75.965 1.00 1.44 H new ATOM 170 N GLU A 11 -53.942 2.124 -71.676 1.00 32.10 N ATOM 171 CA GLU A 11 -54.523 2.997 -70.663 1.00 31.12 C ATOM 172 C GLU A 11 -53.633 3.063 -69.426 1.00 54.31 C ATOM 173 O GLU A 11 -52.880 2.138 -69.122 1.00 4.20 O ATOM 174 CB GLU A 11 -55.919 2.506 -70.275 1.00 32.02 C ATOM 175 CG GLU A 11 -56.916 2.535 -71.422 1.00 24.04 C ATOM 176 CD GLU A 11 -57.633 1.211 -71.606 1.00 12.55 C ATOM 177 OE1 GLU A 11 -56.946 0.188 -71.806 1.00 41.22 O ATOM 178 OE2 GLU A 11 -58.880 1.199 -71.551 1.00 20.11 O ATOM 0 H GLU A 11 -54.406 1.221 -71.772 1.00 32.10 H new ATOM 0 HA GLU A 11 -54.602 3.999 -71.086 1.00 31.12 H new ATOM 0 HB2 GLU A 11 -55.844 1.487 -69.896 1.00 32.02 H new ATOM 0 HB3 GLU A 11 -56.298 3.122 -69.460 1.00 32.02 H new ATOM 0 HG2 GLU A 11 -57.651 3.319 -71.240 1.00 24.04 H new ATOM 0 HG3 GLU A 11 -56.396 2.793 -72.344 1.00 24.04 H new ATOM 185 N PRO A 12 -53.721 4.184 -68.694 1.00 40.42 N ATOM 186 CA PRO A 12 -52.930 4.398 -67.478 1.00 15.35 C ATOM 187 C PRO A 12 -53.376 3.499 -66.330 1.00 32.40 C ATOM 188 O PRO A 12 -54.571 3.315 -66.100 1.00 61.20 O ATOM 189 CB PRO A 12 -53.195 5.868 -67.138 1.00 62.40 C ATOM 190 CG PRO A 12 -54.519 6.166 -67.752 1.00 22.01 C ATOM 191 CD PRO A 12 -54.597 5.327 -68.997 1.00 40.41 C ATOM 0 HA PRO A 12 -51.877 4.163 -67.631 1.00 15.35 H new ATOM 0 HB2 PRO A 12 -53.214 6.028 -66.060 1.00 62.40 H new ATOM 0 HB3 PRO A 12 -52.416 6.515 -67.543 1.00 62.40 H new ATOM 0 HG2 PRO A 12 -55.331 5.923 -67.066 1.00 22.01 H new ATOM 0 HG3 PRO A 12 -54.609 7.226 -67.990 1.00 22.01 H new ATOM 0 HD2 PRO A 12 -55.618 5.007 -69.202 1.00 40.41 H new ATOM 0 HD3 PRO A 12 -54.253 5.876 -69.874 1.00 40.41 H new ATOM 199 N LYS A 13 -52.407 2.938 -65.614 1.00 0.45 N ATOM 200 CA LYS A 13 -52.699 2.059 -64.489 1.00 21.42 C ATOM 201 C LYS A 13 -52.079 2.595 -63.202 1.00 13.44 C ATOM 202 O LYS A 13 -51.000 3.187 -63.222 1.00 63.30 O ATOM 203 CB LYS A 13 -52.175 0.648 -64.769 1.00 71.03 C ATOM 204 CG LYS A 13 -53.265 -0.343 -65.140 1.00 73.33 C ATOM 205 CD LYS A 13 -53.706 -0.171 -66.585 1.00 63.20 C ATOM 206 CE LYS A 13 -53.777 -1.507 -67.308 1.00 60.43 C ATOM 207 NZ LYS A 13 -52.463 -1.891 -67.895 1.00 42.23 N ATOM 0 H LYS A 13 -51.413 3.077 -65.793 1.00 0.45 H new ATOM 0 HA LYS A 13 -53.781 2.022 -64.362 1.00 21.42 H new ATOM 0 HB2 LYS A 13 -51.447 0.694 -65.579 1.00 71.03 H new ATOM 0 HB3 LYS A 13 -51.649 0.283 -63.887 1.00 71.03 H new ATOM 0 HG2 LYS A 13 -52.901 -1.359 -64.988 1.00 73.33 H new ATOM 0 HG3 LYS A 13 -54.121 -0.208 -64.479 1.00 73.33 H new ATOM 0 HD2 LYS A 13 -54.683 0.312 -66.614 1.00 63.20 H new ATOM 0 HD3 LYS A 13 -53.009 0.488 -67.103 1.00 63.20 H new ATOM 0 HE2 LYS A 13 -54.103 -2.280 -66.612 1.00 60.43 H new ATOM 0 HE3 LYS A 13 -54.526 -1.453 -68.098 1.00 60.43 H new ATOM 0 HZ1 LYS A 13 -52.553 -2.807 -68.379 1.00 42.23 H new ATOM 0 HZ2 LYS A 13 -52.163 -1.167 -68.578 1.00 42.23 H new ATOM 0 HZ3 LYS A 13 -51.754 -1.968 -67.138 1.00 42.23 H new ATOM 221 N ALA A 14 -52.769 2.385 -62.086 1.00 52.42 N ATOM 222 CA ALA A 14 -52.285 2.846 -60.791 1.00 73.33 C ATOM 223 C ALA A 14 -51.215 1.909 -60.240 1.00 72.21 C ATOM 224 O ALA A 14 -50.302 2.340 -59.535 1.00 25.31 O ATOM 225 CB ALA A 14 -53.439 2.967 -59.808 1.00 31.05 C ATOM 0 H ALA A 14 -53.665 1.899 -62.053 1.00 52.42 H new ATOM 0 HA ALA A 14 -51.835 3.829 -60.929 1.00 73.33 H new ATOM 0 HB1 ALA A 14 -53.062 3.312 -58.845 1.00 31.05 H new ATOM 0 HB2 ALA A 14 -54.169 3.681 -60.189 1.00 31.05 H new ATOM 0 HB3 ALA A 14 -53.915 1.994 -59.684 1.00 31.05 H new ATOM 231 N ASP A 15 -51.333 0.627 -60.567 1.00 60.22 N ATOM 232 CA ASP A 15 -50.375 -0.371 -60.105 1.00 2.21 C ATOM 233 C ASP A 15 -50.365 -0.451 -58.582 1.00 45.43 C ATOM 234 O ASP A 15 -51.067 0.300 -57.906 1.00 14.13 O ATOM 235 CB ASP A 15 -48.973 -0.041 -60.620 1.00 0.42 C ATOM 236 CG ASP A 15 -48.291 -1.238 -61.251 1.00 63.44 C ATOM 237 OD1 ASP A 15 -48.448 -1.435 -62.474 1.00 2.23 O ATOM 238 OD2 ASP A 15 -47.600 -1.981 -60.521 1.00 31.11 O ATOM 0 H ASP A 15 -52.082 0.254 -61.150 1.00 60.22 H new ATOM 0 HA ASP A 15 -50.680 -1.340 -60.500 1.00 2.21 H new ATOM 0 HB2 ASP A 15 -49.038 0.764 -61.352 1.00 0.42 H new ATOM 0 HB3 ASP A 15 -48.363 0.327 -59.795 1.00 0.42 H new ATOM 243 N ALA A 16 -49.564 -1.367 -58.047 1.00 32.24 N ATOM 244 CA ALA A 16 -49.463 -1.545 -56.604 1.00 74.03 C ATOM 245 C ALA A 16 -48.345 -2.520 -56.249 1.00 21.24 C ATOM 246 O ALA A 16 -48.523 -3.402 -55.410 1.00 24.11 O ATOM 247 CB ALA A 16 -50.789 -2.029 -56.037 1.00 53.11 C ATOM 0 H ALA A 16 -48.976 -1.997 -58.592 1.00 32.24 H new ATOM 0 HA ALA A 16 -49.222 -0.579 -56.159 1.00 74.03 H new ATOM 0 HB1 ALA A 16 -50.698 -2.157 -54.958 1.00 53.11 H new ATOM 0 HB2 ALA A 16 -51.566 -1.295 -56.251 1.00 53.11 H new ATOM 0 HB3 ALA A 16 -51.054 -2.982 -56.495 1.00 53.11 H new ATOM 253 N GLU A 17 -47.195 -2.355 -56.893 1.00 51.33 N ATOM 254 CA GLU A 17 -46.050 -3.223 -56.645 1.00 40.42 C ATOM 255 C GLU A 17 -45.282 -2.771 -55.406 1.00 42.53 C ATOM 256 O GLU A 17 -45.264 -1.585 -55.071 1.00 32.23 O ATOM 257 CB GLU A 17 -45.118 -3.236 -57.859 1.00 52.13 C ATOM 258 CG GLU A 17 -45.705 -3.941 -59.069 1.00 21.22 C ATOM 259 CD GLU A 17 -44.892 -5.149 -59.492 1.00 34.23 C ATOM 260 OE1 GLU A 17 -44.829 -6.123 -58.713 1.00 33.03 O ATOM 261 OE2 GLU A 17 -44.319 -5.120 -60.602 1.00 1.14 O ATOM 0 H GLU A 17 -47.031 -1.629 -57.590 1.00 51.33 H new ATOM 0 HA GLU A 17 -46.424 -4.232 -56.472 1.00 40.42 H new ATOM 0 HB2 GLU A 17 -44.874 -2.209 -58.130 1.00 52.13 H new ATOM 0 HB3 GLU A 17 -44.183 -3.723 -57.583 1.00 52.13 H new ATOM 0 HG2 GLU A 17 -46.724 -4.255 -58.843 1.00 21.22 H new ATOM 0 HG3 GLU A 17 -45.765 -3.239 -59.900 1.00 21.22 H new ATOM 268 N CYS A 18 -44.650 -3.722 -54.729 1.00 44.24 N ATOM 269 CA CYS A 18 -43.881 -3.424 -53.526 1.00 52.00 C ATOM 270 C CYS A 18 -42.404 -3.752 -53.728 1.00 10.44 C ATOM 271 O CYS A 18 -41.955 -4.855 -53.417 1.00 55.51 O ATOM 272 CB CYS A 18 -44.431 -4.212 -52.336 1.00 65.02 C ATOM 273 SG CYS A 18 -45.286 -3.187 -51.095 1.00 71.31 S ATOM 0 H CYS A 18 -44.655 -4.707 -54.993 1.00 44.24 H new ATOM 0 HA CYS A 18 -43.973 -2.357 -53.322 1.00 52.00 H new ATOM 0 HB2 CYS A 18 -45.123 -4.970 -52.704 1.00 65.02 H new ATOM 0 HB3 CYS A 18 -43.609 -4.739 -51.852 1.00 65.02 H new ATOM 279 N SER A 19 -41.656 -2.786 -54.253 1.00 4.32 N ATOM 280 CA SER A 19 -40.231 -2.972 -54.500 1.00 11.24 C ATOM 281 C SER A 19 -39.407 -2.515 -53.300 1.00 15.45 C ATOM 282 O SER A 19 -38.257 -2.918 -53.135 1.00 50.33 O ATOM 283 CB SER A 19 -39.805 -2.201 -55.751 1.00 31.12 C ATOM 284 OG SER A 19 -38.696 -2.822 -56.378 1.00 55.32 O ATOM 0 H SER A 19 -42.013 -1.867 -54.515 1.00 4.32 H new ATOM 0 HA SER A 19 -40.050 -4.035 -54.658 1.00 11.24 H new ATOM 0 HB2 SER A 19 -40.639 -2.147 -56.451 1.00 31.12 H new ATOM 0 HB3 SER A 19 -39.548 -1.177 -55.481 1.00 31.12 H new ATOM 0 HG SER A 19 -38.443 -2.312 -57.176 1.00 55.32 H new ATOM 290 N GLU A 20 -40.006 -1.669 -52.468 1.00 42.34 N ATOM 291 CA GLU A 20 -39.326 -1.155 -51.284 1.00 10.41 C ATOM 292 C GLU A 20 -39.978 -1.684 -50.010 1.00 20.43 C ATOM 293 O GLU A 20 -40.517 -0.918 -49.211 1.00 42.20 O ATOM 294 CB GLU A 20 -39.345 0.375 -51.281 1.00 73.20 C ATOM 295 CG GLU A 20 -40.739 0.966 -51.398 1.00 11.54 C ATOM 296 CD GLU A 20 -41.054 1.945 -50.283 1.00 21.14 C ATOM 297 OE1 GLU A 20 -40.225 2.846 -50.033 1.00 24.34 O ATOM 298 OE2 GLU A 20 -42.127 1.809 -49.659 1.00 4.10 O ATOM 0 H GLU A 20 -40.958 -1.325 -52.591 1.00 42.34 H new ATOM 0 HA GLU A 20 -38.292 -1.498 -51.313 1.00 10.41 H new ATOM 0 HB2 GLU A 20 -38.883 0.734 -50.361 1.00 73.20 H new ATOM 0 HB3 GLU A 20 -38.734 0.739 -52.107 1.00 73.20 H new ATOM 0 HG2 GLU A 20 -40.835 1.472 -52.359 1.00 11.54 H new ATOM 0 HG3 GLU A 20 -41.473 0.160 -51.387 1.00 11.54 H new ATOM 305 N TRP A 21 -39.927 -2.998 -49.828 1.00 61.54 N ATOM 306 CA TRP A 21 -40.513 -3.631 -48.651 1.00 54.12 C ATOM 307 C TRP A 21 -40.025 -2.959 -47.373 1.00 41.13 C ATOM 308 O TRP A 21 -38.842 -3.021 -47.042 1.00 72.22 O ATOM 309 CB TRP A 21 -40.168 -5.121 -48.623 1.00 73.12 C ATOM 310 CG TRP A 21 -41.251 -5.992 -49.182 1.00 33.20 C ATOM 311 CD1 TRP A 21 -41.802 -5.917 -50.430 1.00 23.13 C ATOM 312 CD2 TRP A 21 -41.916 -7.069 -48.512 1.00 1.13 C ATOM 313 NE1 TRP A 21 -42.770 -6.882 -50.575 1.00 54.41 N ATOM 314 CE2 TRP A 21 -42.858 -7.602 -49.413 1.00 74.21 C ATOM 315 CE3 TRP A 21 -41.807 -7.635 -47.239 1.00 61.15 C ATOM 316 CZ2 TRP A 21 -43.684 -8.672 -49.080 1.00 61.23 C ATOM 317 CZ3 TRP A 21 -42.628 -8.698 -46.910 1.00 52.34 C ATOM 318 CH2 TRP A 21 -43.555 -9.208 -47.828 1.00 44.21 C ATOM 0 H TRP A 21 -39.486 -3.647 -50.480 1.00 61.54 H new ATOM 0 HA TRP A 21 -41.596 -3.517 -48.708 1.00 54.12 H new ATOM 0 HB2 TRP A 21 -39.251 -5.285 -49.189 1.00 73.12 H new ATOM 0 HB3 TRP A 21 -39.965 -5.420 -47.595 1.00 73.12 H new ATOM 0 HD1 TRP A 21 -41.519 -5.204 -51.191 1.00 23.13 H new ATOM 0 HE1 TRP A 21 -43.332 -7.037 -51.412 1.00 54.41 H new ATOM 0 HE3 TRP A 21 -41.094 -7.249 -46.525 1.00 61.15 H new ATOM 0 HZ2 TRP A 21 -44.401 -9.065 -49.785 1.00 61.23 H new ATOM 0 HZ3 TRP A 21 -42.553 -9.143 -45.929 1.00 52.34 H new ATOM 0 HH2 TRP A 21 -44.180 -10.041 -47.542 1.00 44.21 H new ATOM 329 N GLN A 22 -40.945 -2.319 -46.659 1.00 4.40 N ATOM 330 CA GLN A 22 -40.607 -1.635 -45.415 1.00 61.55 C ATOM 331 C GLN A 22 -40.100 -2.625 -44.370 1.00 11.33 C ATOM 332 O GLN A 22 -40.888 -3.250 -43.661 1.00 25.41 O ATOM 333 CB GLN A 22 -41.824 -0.883 -44.875 1.00 61.11 C ATOM 334 CG GLN A 22 -43.090 -1.723 -44.833 1.00 73.33 C ATOM 335 CD GLN A 22 -44.203 -1.144 -45.684 1.00 4.35 C ATOM 336 OE1 GLN A 22 -44.098 -1.086 -46.909 1.00 11.44 O ATOM 337 NE2 GLN A 22 -45.279 -0.712 -45.036 1.00 74.13 N ATOM 0 H GLN A 22 -41.929 -2.259 -46.920 1.00 4.40 H new ATOM 0 HA GLN A 22 -39.812 -0.920 -45.627 1.00 61.55 H new ATOM 0 HB2 GLN A 22 -41.602 -0.525 -43.870 1.00 61.11 H new ATOM 0 HB3 GLN A 22 -42.002 -0.004 -45.495 1.00 61.11 H new ATOM 0 HG2 GLN A 22 -42.863 -2.732 -45.176 1.00 73.33 H new ATOM 0 HG3 GLN A 22 -43.432 -1.806 -43.801 1.00 73.33 H new ATOM 0 HE21 GLN A 22 -45.323 -0.780 -44.019 1.00 74.13 H new ATOM 0 HE22 GLN A 22 -46.061 -0.313 -45.555 1.00 74.13 H new ATOM 346 N TYR A 23 -38.782 -2.761 -44.282 1.00 13.01 N ATOM 347 CA TYR A 23 -38.171 -3.676 -43.326 1.00 43.42 C ATOM 348 C TYR A 23 -38.068 -3.034 -41.946 1.00 52.43 C ATOM 349 O TYR A 23 -37.780 -1.843 -41.822 1.00 35.14 O ATOM 350 CB TYR A 23 -36.782 -4.099 -43.809 1.00 0.44 C ATOM 351 CG TYR A 23 -36.762 -4.593 -45.237 1.00 12.32 C ATOM 352 CD1 TYR A 23 -37.587 -5.635 -45.643 1.00 73.14 C ATOM 353 CD2 TYR A 23 -35.920 -4.019 -46.180 1.00 54.33 C ATOM 354 CE1 TYR A 23 -37.571 -6.091 -46.948 1.00 32.22 C ATOM 355 CE2 TYR A 23 -35.899 -4.467 -47.487 1.00 15.40 C ATOM 356 CZ TYR A 23 -36.727 -5.502 -47.866 1.00 64.53 C ATOM 357 OH TYR A 23 -36.708 -5.953 -49.167 1.00 42.53 O ATOM 0 H TYR A 23 -38.116 -2.249 -44.861 1.00 13.01 H new ATOM 0 HA TYR A 23 -38.806 -4.558 -43.250 1.00 43.42 H new ATOM 0 HB2 TYR A 23 -36.101 -3.253 -43.717 1.00 0.44 H new ATOM 0 HB3 TYR A 23 -36.403 -4.885 -43.156 1.00 0.44 H new ATOM 0 HD1 TYR A 23 -38.252 -6.096 -44.927 1.00 73.14 H new ATOM 0 HD2 TYR A 23 -35.270 -3.208 -45.887 1.00 54.33 H new ATOM 0 HE1 TYR A 23 -38.216 -6.904 -47.247 1.00 32.22 H new ATOM 0 HE2 TYR A 23 -35.238 -4.009 -48.208 1.00 15.40 H new ATOM 0 HH TYR A 23 -36.060 -5.431 -49.685 1.00 42.53 H new ATOM 367 N GLY A 24 -38.305 -3.831 -40.909 1.00 20.35 N ATOM 368 CA GLY A 24 -38.234 -3.325 -39.551 1.00 11.30 C ATOM 369 C GLY A 24 -36.832 -3.390 -38.980 1.00 53.15 C ATOM 370 O GLY A 24 -35.907 -3.871 -39.637 1.00 62.00 O ATOM 0 H GLY A 24 -38.545 -4.819 -40.985 1.00 20.35 H new ATOM 0 HA2 GLY A 24 -38.583 -2.292 -39.533 1.00 11.30 H new ATOM 0 HA3 GLY A 24 -38.908 -3.900 -38.917 1.00 11.30 H new ATOM 374 N LYS A 25 -36.670 -2.903 -37.755 1.00 25.41 N ATOM 375 CA LYS A 25 -35.369 -2.908 -37.094 1.00 13.12 C ATOM 376 C LYS A 25 -34.839 -4.330 -36.948 1.00 73.34 C ATOM 377 O LYS A 25 -35.606 -5.294 -36.952 1.00 42.34 O ATOM 378 CB LYS A 25 -35.472 -2.246 -35.718 1.00 71.43 C ATOM 379 CG LYS A 25 -36.082 -3.143 -34.655 1.00 61.35 C ATOM 380 CD LYS A 25 -37.587 -3.259 -34.821 1.00 44.11 C ATOM 381 CE LYS A 25 -37.978 -4.584 -35.458 1.00 24.21 C ATOM 382 NZ LYS A 25 -39.246 -5.120 -34.889 1.00 63.12 N ATOM 0 H LYS A 25 -37.424 -2.499 -37.199 1.00 25.41 H new ATOM 0 HA LYS A 25 -34.672 -2.342 -37.712 1.00 13.12 H new ATOM 0 HB2 LYS A 25 -34.477 -1.940 -35.396 1.00 71.43 H new ATOM 0 HB3 LYS A 25 -36.071 -1.340 -35.804 1.00 71.43 H new ATOM 0 HG2 LYS A 25 -35.631 -4.134 -34.711 1.00 61.35 H new ATOM 0 HG3 LYS A 25 -35.854 -2.745 -33.666 1.00 61.35 H new ATOM 0 HD2 LYS A 25 -38.070 -3.166 -33.848 1.00 44.11 H new ATOM 0 HD3 LYS A 25 -37.950 -2.437 -35.437 1.00 44.11 H new ATOM 0 HE2 LYS A 25 -38.091 -4.451 -36.534 1.00 24.21 H new ATOM 0 HE3 LYS A 25 -37.178 -5.309 -35.309 1.00 24.21 H new ATOM 0 HZ1 LYS A 25 -39.478 -6.023 -35.349 1.00 63.12 H new ATOM 0 HZ2 LYS A 25 -39.131 -5.271 -33.867 1.00 63.12 H new ATOM 0 HZ3 LYS A 25 -40.015 -4.440 -35.054 1.00 63.12 H new ATOM 396 N CYS A 26 -33.522 -4.455 -36.818 1.00 54.11 N ATOM 397 CA CYS A 26 -32.888 -5.760 -36.669 1.00 12.21 C ATOM 398 C CYS A 26 -32.464 -5.996 -35.223 1.00 73.41 C ATOM 399 O CYS A 26 -31.533 -5.363 -34.726 1.00 54.42 O ATOM 400 CB CYS A 26 -31.673 -5.867 -37.593 1.00 73.41 C ATOM 401 SG CYS A 26 -32.037 -6.612 -39.215 1.00 32.30 S ATOM 0 H CYS A 26 -32.873 -3.668 -36.813 1.00 54.11 H new ATOM 0 HA CYS A 26 -33.615 -6.524 -36.945 1.00 12.21 H new ATOM 0 HB2 CYS A 26 -31.258 -4.871 -37.747 1.00 73.41 H new ATOM 0 HB3 CYS A 26 -30.904 -6.459 -37.097 1.00 73.41 H new ATOM 407 N VAL A 27 -33.153 -6.913 -34.552 1.00 71.31 N ATOM 408 CA VAL A 27 -32.847 -7.236 -33.164 1.00 5.21 C ATOM 409 C VAL A 27 -32.302 -8.654 -33.035 1.00 0.03 C ATOM 410 O VAL A 27 -32.884 -9.616 -33.536 1.00 33.25 O ATOM 411 CB VAL A 27 -34.092 -7.093 -32.267 1.00 31.22 C ATOM 412 CG1 VAL A 27 -35.299 -7.746 -32.922 1.00 22.11 C ATOM 413 CG2 VAL A 27 -33.831 -7.692 -30.894 1.00 51.03 C ATOM 0 H VAL A 27 -33.928 -7.446 -34.948 1.00 71.31 H new ATOM 0 HA VAL A 27 -32.087 -6.527 -32.835 1.00 5.21 H new ATOM 0 HB VAL A 27 -34.307 -6.032 -32.140 1.00 31.22 H new ATOM 0 HG11 VAL A 27 -36.169 -7.635 -32.274 1.00 22.11 H new ATOM 0 HG12 VAL A 27 -35.497 -7.266 -33.881 1.00 22.11 H new ATOM 0 HG13 VAL A 27 -35.098 -8.805 -33.081 1.00 22.11 H new ATOM 0 HG21 VAL A 27 -34.721 -7.582 -30.274 1.00 51.03 H new ATOM 0 HG22 VAL A 27 -33.590 -8.750 -30.998 1.00 51.03 H new ATOM 0 HG23 VAL A 27 -32.995 -7.174 -30.424 1.00 51.03 H new ATOM 423 N PRO A 28 -31.159 -8.787 -32.348 1.00 63.42 N ATOM 424 CA PRO A 28 -30.509 -10.085 -32.137 1.00 5.21 C ATOM 425 C PRO A 28 -31.299 -10.981 -31.188 1.00 52.42 C ATOM 426 O PRO A 28 -31.334 -10.745 -29.981 1.00 53.44 O ATOM 427 CB PRO A 28 -29.160 -9.711 -31.519 1.00 12.54 C ATOM 428 CG PRO A 28 -29.394 -8.390 -30.871 1.00 42.23 C ATOM 429 CD PRO A 28 -30.410 -7.683 -31.724 1.00 4.13 C ATOM 0 HA PRO A 28 -30.426 -10.654 -33.063 1.00 5.21 H new ATOM 0 HB2 PRO A 28 -28.837 -10.457 -30.793 1.00 12.54 H new ATOM 0 HB3 PRO A 28 -28.381 -9.647 -32.278 1.00 12.54 H new ATOM 0 HG2 PRO A 28 -29.760 -8.515 -29.852 1.00 42.23 H new ATOM 0 HG3 PRO A 28 -28.469 -7.816 -30.810 1.00 42.23 H new ATOM 0 HD2 PRO A 28 -31.060 -7.043 -31.127 1.00 4.13 H new ATOM 0 HD3 PRO A 28 -29.935 -7.047 -32.471 1.00 4.13 H new ATOM 437 N ASN A 29 -31.932 -12.010 -31.742 1.00 70.35 N ATOM 438 CA ASN A 29 -32.721 -12.941 -30.944 1.00 1.24 C ATOM 439 C ASN A 29 -31.820 -13.931 -30.213 1.00 33.33 C ATOM 440 O ASN A 29 -31.977 -14.161 -29.015 1.00 4.03 O ATOM 441 CB ASN A 29 -33.710 -13.696 -31.834 1.00 3.15 C ATOM 442 CG ASN A 29 -34.899 -14.228 -31.056 1.00 13.23 C ATOM 443 OD1 ASN A 29 -34.896 -14.235 -29.825 1.00 63.33 O ATOM 444 ND2 ASN A 29 -35.922 -14.676 -31.773 1.00 21.22 N ATOM 0 H ASN A 29 -31.914 -12.220 -32.740 1.00 70.35 H new ATOM 0 HA ASN A 29 -33.275 -12.366 -30.202 1.00 1.24 H new ATOM 0 HB2 ASN A 29 -34.063 -13.033 -32.624 1.00 3.15 H new ATOM 0 HB3 ASN A 29 -33.197 -14.526 -32.320 1.00 3.15 H new ATOM 0 HD21 ASN A 29 -36.750 -15.046 -31.305 1.00 21.22 H new ATOM 0 HD22 ASN A 29 -35.881 -14.651 -32.792 1.00 21.22 H new ATOM 451 N SER A 30 -30.875 -14.513 -30.944 1.00 60.42 N ATOM 452 CA SER A 30 -29.949 -15.482 -30.367 1.00 13.44 C ATOM 453 C SER A 30 -28.743 -14.779 -29.753 1.00 65.35 C ATOM 454 O SER A 30 -28.051 -14.012 -30.420 1.00 41.24 O ATOM 455 CB SER A 30 -29.487 -16.477 -31.433 1.00 15.04 C ATOM 456 OG SER A 30 -28.875 -17.610 -30.843 1.00 10.34 O ATOM 0 H SER A 30 -30.730 -14.331 -31.937 1.00 60.42 H new ATOM 0 HA SER A 30 -30.472 -16.024 -29.579 1.00 13.44 H new ATOM 0 HB2 SER A 30 -30.340 -16.792 -32.034 1.00 15.04 H new ATOM 0 HB3 SER A 30 -28.783 -15.990 -32.108 1.00 15.04 H new ATOM 0 HG SER A 30 -28.590 -18.231 -31.546 1.00 10.34 H new ATOM 462 N GLY A 31 -28.495 -15.050 -28.474 1.00 32.32 N ATOM 463 CA GLY A 31 -27.371 -14.437 -27.790 1.00 34.43 C ATOM 464 C GLY A 31 -27.531 -12.936 -27.644 1.00 62.43 C ATOM 465 O GLY A 31 -28.639 -12.410 -27.744 1.00 33.45 O ATOM 0 H GLY A 31 -29.052 -15.683 -27.900 1.00 32.32 H new ATOM 0 HA2 GLY A 31 -27.262 -14.886 -26.803 1.00 34.43 H new ATOM 0 HA3 GLY A 31 -26.454 -14.650 -28.340 1.00 34.43 H new ATOM 469 N ASP A 32 -26.421 -12.246 -27.404 1.00 73.21 N ATOM 470 CA ASP A 32 -26.442 -10.797 -27.242 1.00 52.01 C ATOM 471 C ASP A 32 -26.346 -10.098 -28.595 1.00 75.15 C ATOM 472 O ASP A 32 -26.891 -9.010 -28.784 1.00 24.12 O ATOM 473 CB ASP A 32 -25.293 -10.346 -26.339 1.00 63.51 C ATOM 474 CG ASP A 32 -25.528 -8.971 -25.747 1.00 43.04 C ATOM 475 OD1 ASP A 32 -26.696 -8.645 -25.448 1.00 54.15 O ATOM 476 OD2 ASP A 32 -24.543 -8.220 -25.584 1.00 44.23 O ATOM 0 H ASP A 32 -25.496 -12.667 -27.317 1.00 73.21 H new ATOM 0 HA ASP A 32 -27.389 -10.522 -26.777 1.00 52.01 H new ATOM 0 HB2 ASP A 32 -25.163 -11.068 -25.533 1.00 63.51 H new ATOM 0 HB3 ASP A 32 -24.366 -10.338 -26.912 1.00 63.51 H new ATOM 481 N CYS A 33 -25.648 -10.729 -29.533 1.00 62.31 N ATOM 482 CA CYS A 33 -25.478 -10.168 -30.868 1.00 71.41 C ATOM 483 C CYS A 33 -25.218 -11.269 -31.891 1.00 35.51 C ATOM 484 O CYS A 33 -24.654 -12.314 -31.566 1.00 32.20 O ATOM 485 CB CYS A 33 -24.325 -9.163 -30.879 1.00 31.52 C ATOM 486 SG CYS A 33 -22.729 -9.858 -30.342 1.00 44.43 S ATOM 0 H CYS A 33 -25.191 -11.630 -29.393 1.00 62.31 H new ATOM 0 HA CYS A 33 -26.400 -9.655 -31.139 1.00 71.41 H new ATOM 0 HB2 CYS A 33 -24.215 -8.764 -31.887 1.00 31.52 H new ATOM 0 HB3 CYS A 33 -24.581 -8.325 -30.231 1.00 31.52 H new ATOM 492 N GLY A 34 -25.632 -11.028 -33.131 1.00 14.15 N ATOM 493 CA GLY A 34 -25.434 -12.008 -34.184 1.00 0.42 C ATOM 494 C GLY A 34 -26.588 -12.043 -35.167 1.00 12.30 C ATOM 495 O GLY A 34 -26.806 -11.089 -35.913 1.00 2.24 O ATOM 0 H GLY A 34 -26.101 -10.172 -33.426 1.00 14.15 H new ATOM 0 HA2 GLY A 34 -24.512 -11.781 -34.719 1.00 0.42 H new ATOM 0 HA3 GLY A 34 -25.310 -12.995 -33.739 1.00 0.42 H new ATOM 499 N ASN A 35 -27.327 -13.147 -35.170 1.00 4.04 N ATOM 500 CA ASN A 35 -28.463 -13.304 -36.071 1.00 1.35 C ATOM 501 C ASN A 35 -29.706 -12.625 -35.502 1.00 1.44 C ATOM 502 O ASN A 35 -30.317 -13.117 -34.554 1.00 13.42 O ATOM 503 CB ASN A 35 -28.747 -14.787 -36.315 1.00 21.00 C ATOM 504 CG ASN A 35 -29.121 -15.075 -37.756 1.00 12.21 C ATOM 505 OD1 ASN A 35 -28.438 -14.643 -38.685 1.00 43.22 O ATOM 506 ND2 ASN A 35 -30.212 -15.807 -37.949 1.00 64.32 N ATOM 0 H ASN A 35 -27.160 -13.946 -34.559 1.00 4.04 H new ATOM 0 HA ASN A 35 -28.211 -12.828 -37.019 1.00 1.35 H new ATOM 0 HB2 ASN A 35 -27.867 -15.371 -36.047 1.00 21.00 H new ATOM 0 HB3 ASN A 35 -29.556 -15.112 -35.661 1.00 21.00 H new ATOM 0 HD21 ASN A 35 -30.514 -16.032 -38.897 1.00 64.32 H new ATOM 0 HD22 ASN A 35 -30.748 -16.144 -37.149 1.00 64.32 H new ATOM 513 N GLY A 36 -30.075 -11.490 -36.089 1.00 52.12 N ATOM 514 CA GLY A 36 -31.243 -10.762 -35.629 1.00 44.02 C ATOM 515 C GLY A 36 -32.457 -11.001 -36.505 1.00 4.41 C ATOM 516 O GLY A 36 -32.364 -11.662 -37.538 1.00 35.02 O ATOM 0 H GLY A 36 -29.586 -11.062 -36.875 1.00 52.12 H new ATOM 0 HA2 GLY A 36 -31.473 -11.059 -34.606 1.00 44.02 H new ATOM 0 HA3 GLY A 36 -31.018 -9.696 -35.608 1.00 44.02 H new ATOM 520 N ILE A 37 -33.599 -10.464 -36.089 1.00 43.54 N ATOM 521 CA ILE A 37 -34.836 -10.622 -36.842 1.00 25.42 C ATOM 522 C ILE A 37 -35.495 -9.273 -37.109 1.00 40.31 C ATOM 523 O ILE A 37 -35.480 -8.385 -36.257 1.00 12.34 O ATOM 524 CB ILE A 37 -35.836 -11.530 -36.099 1.00 52.15 C ATOM 525 CG1 ILE A 37 -35.201 -12.891 -35.808 1.00 60.50 C ATOM 526 CG2 ILE A 37 -37.108 -11.696 -36.916 1.00 3.12 C ATOM 527 CD1 ILE A 37 -34.835 -13.667 -37.055 1.00 12.30 C ATOM 0 H ILE A 37 -33.693 -9.916 -35.234 1.00 43.54 H new ATOM 0 HA ILE A 37 -34.569 -11.087 -37.791 1.00 25.42 H new ATOM 0 HB ILE A 37 -36.096 -11.061 -35.150 1.00 52.15 H new ATOM 0 HG12 ILE A 37 -34.305 -12.743 -35.206 1.00 60.50 H new ATOM 0 HG13 ILE A 37 -35.892 -13.485 -35.210 1.00 60.50 H new ATOM 0 HG21 ILE A 37 -37.804 -12.340 -36.378 1.00 3.12 H new ATOM 0 HG22 ILE A 37 -37.567 -10.720 -37.078 1.00 3.12 H new ATOM 0 HG23 ILE A 37 -36.866 -12.147 -37.878 1.00 3.12 H new ATOM 0 HD11 ILE A 37 -34.390 -14.621 -36.772 1.00 12.30 H new ATOM 0 HD12 ILE A 37 -35.732 -13.846 -37.648 1.00 12.30 H new ATOM 0 HD13 ILE A 37 -34.119 -13.093 -37.644 1.00 12.30 H new ATOM 539 N ARG A 38 -36.073 -9.127 -38.296 1.00 12.12 N ATOM 540 CA ARG A 38 -36.738 -7.887 -38.676 1.00 0.31 C ATOM 541 C ARG A 38 -38.127 -8.165 -39.244 1.00 74.24 C ATOM 542 O ARG A 38 -38.316 -9.113 -40.006 1.00 40.41 O ATOM 543 CB ARG A 38 -35.897 -7.126 -39.704 1.00 25.40 C ATOM 544 CG ARG A 38 -35.883 -7.775 -41.078 1.00 42.13 C ATOM 545 CD ARG A 38 -35.174 -6.899 -42.100 1.00 41.01 C ATOM 546 NE ARG A 38 -33.850 -7.415 -42.437 1.00 72.42 N ATOM 547 CZ ARG A 38 -33.170 -7.044 -43.516 1.00 20.33 C ATOM 548 NH1 ARG A 38 -33.687 -6.160 -44.358 1.00 32.23 N ATOM 549 NH2 ARG A 38 -31.970 -7.558 -43.755 1.00 31.21 N ATOM 0 H ARG A 38 -36.094 -9.853 -39.012 1.00 12.12 H new ATOM 0 HA ARG A 38 -36.847 -7.275 -37.781 1.00 0.31 H new ATOM 0 HB2 ARG A 38 -36.281 -6.110 -39.795 1.00 25.40 H new ATOM 0 HB3 ARG A 38 -34.873 -7.048 -39.338 1.00 25.40 H new ATOM 0 HG2 ARG A 38 -35.386 -8.743 -41.019 1.00 42.13 H new ATOM 0 HG3 ARG A 38 -36.906 -7.961 -41.404 1.00 42.13 H new ATOM 0 HD2 ARG A 38 -35.779 -6.834 -43.004 1.00 41.01 H new ATOM 0 HD3 ARG A 38 -35.080 -5.887 -41.707 1.00 41.01 H new ATOM 0 HE ARG A 38 -33.424 -8.097 -41.810 1.00 72.42 H new ATOM 0 HH11 ARG A 38 -34.609 -5.763 -44.178 1.00 32.23 H new ATOM 0 HH12 ARG A 38 -33.163 -5.877 -45.186 1.00 32.23 H new ATOM 0 HH21 ARG A 38 -31.569 -8.239 -43.110 1.00 31.21 H new ATOM 0 HH22 ARG A 38 -31.449 -7.272 -44.584 1.00 31.21 H new ATOM 563 N GLU A 39 -39.092 -7.333 -38.868 1.00 44.34 N ATOM 564 CA GLU A 39 -40.463 -7.491 -39.339 1.00 74.54 C ATOM 565 C GLU A 39 -40.765 -6.515 -40.472 1.00 13.22 C ATOM 566 O GLU A 39 -40.522 -5.314 -40.353 1.00 64.34 O ATOM 567 CB GLU A 39 -41.449 -7.277 -38.190 1.00 10.14 C ATOM 568 CG GLU A 39 -42.706 -8.124 -38.299 1.00 54.33 C ATOM 569 CD GLU A 39 -43.851 -7.384 -38.963 1.00 23.43 C ATOM 570 OE1 GLU A 39 -43.626 -6.778 -40.031 1.00 50.22 O ATOM 571 OE2 GLU A 39 -44.973 -7.413 -38.414 1.00 34.15 O ATOM 0 H GLU A 39 -38.950 -6.543 -38.239 1.00 44.34 H new ATOM 0 HA GLU A 39 -40.574 -8.507 -39.718 1.00 74.54 H new ATOM 0 HB2 GLU A 39 -40.950 -7.503 -37.248 1.00 10.14 H new ATOM 0 HB3 GLU A 39 -41.732 -6.225 -38.157 1.00 10.14 H new ATOM 0 HG2 GLU A 39 -42.483 -9.027 -38.868 1.00 54.33 H new ATOM 0 HG3 GLU A 39 -43.013 -8.442 -37.303 1.00 54.33 H new ATOM 578 N ALA A 40 -41.296 -7.040 -41.572 1.00 15.52 N ATOM 579 CA ALA A 40 -41.633 -6.215 -42.726 1.00 40.51 C ATOM 580 C ALA A 40 -43.007 -6.577 -43.278 1.00 62.12 C ATOM 581 O ALA A 40 -43.364 -7.752 -43.361 1.00 64.41 O ATOM 582 CB ALA A 40 -40.572 -6.362 -43.808 1.00 5.43 C ATOM 0 H ALA A 40 -41.502 -8.032 -41.688 1.00 15.52 H new ATOM 0 HA ALA A 40 -41.664 -5.175 -42.401 1.00 40.51 H new ATOM 0 HB1 ALA A 40 -40.836 -5.741 -44.664 1.00 5.43 H new ATOM 0 HB2 ALA A 40 -39.606 -6.046 -43.415 1.00 5.43 H new ATOM 0 HB3 ALA A 40 -40.513 -7.404 -44.121 1.00 5.43 H new ATOM 588 N THR A 41 -43.776 -5.560 -43.653 1.00 21.15 N ATOM 589 CA THR A 41 -45.113 -5.772 -44.194 1.00 12.22 C ATOM 590 C THR A 41 -45.316 -4.979 -45.480 1.00 34.41 C ATOM 591 O THR A 41 -45.170 -3.757 -45.498 1.00 32.21 O ATOM 592 CB THR A 41 -46.200 -5.371 -43.180 1.00 15.22 C ATOM 593 OG1 THR A 41 -45.594 -4.881 -41.979 1.00 54.43 O ATOM 594 CG2 THR A 41 -47.099 -6.554 -42.853 1.00 53.04 C ATOM 0 H THR A 41 -43.496 -4.581 -43.592 1.00 21.15 H new ATOM 0 HA THR A 41 -45.203 -6.837 -44.408 1.00 12.22 H new ATOM 0 HB THR A 41 -46.808 -4.585 -43.627 1.00 15.22 H new ATOM 0 HG1 THR A 41 -46.292 -4.627 -41.340 1.00 54.43 H new ATOM 0 HG21 THR A 41 -47.859 -6.246 -42.135 1.00 53.04 H new ATOM 0 HG22 THR A 41 -47.583 -6.906 -43.764 1.00 53.04 H new ATOM 0 HG23 THR A 41 -46.501 -7.358 -42.425 1.00 53.04 H new ATOM 602 N CYS A 42 -45.656 -5.683 -46.556 1.00 11.32 N ATOM 603 CA CYS A 42 -45.880 -5.045 -47.847 1.00 33.24 C ATOM 604 C CYS A 42 -46.902 -5.826 -48.670 1.00 62.03 C ATOM 605 O CYS A 42 -47.010 -7.046 -48.548 1.00 50.34 O ATOM 606 CB CYS A 42 -44.565 -4.935 -48.620 1.00 12.23 C ATOM 607 SG CYS A 42 -44.280 -3.300 -49.373 1.00 1.22 S ATOM 0 H CYS A 42 -45.782 -6.695 -46.558 1.00 11.32 H new ATOM 0 HA CYS A 42 -46.273 -4.044 -47.666 1.00 33.24 H new ATOM 0 HB2 CYS A 42 -43.739 -5.161 -47.945 1.00 12.23 H new ATOM 0 HB3 CYS A 42 -44.553 -5.692 -49.404 1.00 12.23 H new ATOM 613 N ASN A 43 -47.649 -5.114 -49.506 1.00 20.14 N ATOM 614 CA ASN A 43 -48.662 -5.740 -50.349 1.00 44.12 C ATOM 615 C ASN A 43 -49.851 -6.206 -49.513 1.00 33.52 C ATOM 616 O ASN A 43 -50.933 -5.623 -49.575 1.00 32.40 O ATOM 617 CB ASN A 43 -48.062 -6.924 -51.109 1.00 1.52 C ATOM 618 CG ASN A 43 -48.130 -6.739 -52.612 1.00 73.34 C ATOM 619 OD1 ASN A 43 -49.212 -6.645 -53.190 1.00 22.10 O ATOM 620 ND2 ASN A 43 -46.968 -6.685 -53.255 1.00 43.53 N ATOM 0 H ASN A 43 -47.573 -4.103 -49.618 1.00 20.14 H new ATOM 0 HA ASN A 43 -49.013 -4.998 -51.066 1.00 44.12 H new ATOM 0 HB2 ASN A 43 -47.023 -7.056 -50.808 1.00 1.52 H new ATOM 0 HB3 ASN A 43 -48.592 -7.836 -50.833 1.00 1.52 H new ATOM 0 HD21 ASN A 43 -46.951 -6.561 -54.267 1.00 43.53 H new ATOM 0 HD22 ASN A 43 -46.094 -6.767 -52.736 1.00 43.53 H new ATOM 627 N GLU A 44 -49.640 -7.261 -48.732 1.00 22.52 N ATOM 628 CA GLU A 44 -50.695 -7.807 -47.885 1.00 11.10 C ATOM 629 C GLU A 44 -50.214 -9.056 -47.153 1.00 33.33 C ATOM 630 O GLU A 44 -50.981 -9.994 -46.935 1.00 40.32 O ATOM 631 CB GLU A 44 -51.932 -8.137 -48.723 1.00 21.44 C ATOM 632 CG GLU A 44 -53.223 -7.578 -48.149 1.00 41.34 C ATOM 633 CD GLU A 44 -54.142 -8.659 -47.614 1.00 61.33 C ATOM 634 OE1 GLU A 44 -53.632 -9.614 -46.989 1.00 14.12 O ATOM 635 OE2 GLU A 44 -55.368 -8.552 -47.821 1.00 5.35 O ATOM 0 H GLU A 44 -48.749 -7.754 -48.668 1.00 22.52 H new ATOM 0 HA GLU A 44 -50.958 -7.052 -47.144 1.00 11.10 H new ATOM 0 HB2 GLU A 44 -51.793 -7.745 -49.731 1.00 21.44 H new ATOM 0 HB3 GLU A 44 -52.022 -9.220 -48.811 1.00 21.44 H new ATOM 0 HG2 GLU A 44 -52.986 -6.878 -47.347 1.00 41.34 H new ATOM 0 HG3 GLU A 44 -53.745 -7.013 -48.921 1.00 41.34 H new ATOM 642 N GLN A 45 -48.939 -9.061 -46.778 1.00 1.30 N ATOM 643 CA GLN A 45 -48.355 -10.195 -46.071 1.00 75.04 C ATOM 644 C GLN A 45 -47.251 -9.736 -45.124 1.00 23.24 C ATOM 645 O GLN A 45 -46.618 -8.703 -45.344 1.00 63.14 O ATOM 646 CB GLN A 45 -47.797 -11.211 -47.069 1.00 71.15 C ATOM 647 CG GLN A 45 -46.856 -10.602 -48.097 1.00 4.34 C ATOM 648 CD GLN A 45 -47.392 -10.703 -49.510 1.00 33.42 C ATOM 649 OE1 GLN A 45 -48.077 -11.665 -49.860 1.00 50.01 O ATOM 650 NE2 GLN A 45 -47.083 -9.709 -50.334 1.00 33.45 N ATOM 0 H GLN A 45 -48.291 -8.293 -46.952 1.00 1.30 H new ATOM 0 HA GLN A 45 -49.141 -10.668 -45.482 1.00 75.04 H new ATOM 0 HB2 GLN A 45 -47.268 -11.992 -46.522 1.00 71.15 H new ATOM 0 HB3 GLN A 45 -48.627 -11.691 -47.588 1.00 71.15 H new ATOM 0 HG2 GLN A 45 -46.685 -9.554 -47.851 1.00 4.34 H new ATOM 0 HG3 GLN A 45 -45.890 -11.104 -48.042 1.00 4.34 H new ATOM 0 HE21 GLN A 45 -46.513 -8.931 -50.003 1.00 33.45 H new ATOM 0 HE22 GLN A 45 -47.416 -9.724 -51.298 1.00 33.45 H new ATOM 659 N THR A 46 -47.026 -10.511 -44.067 1.00 3.51 N ATOM 660 CA THR A 46 -46.000 -10.183 -43.084 1.00 24.44 C ATOM 661 C THR A 46 -45.019 -11.337 -42.908 1.00 13.03 C ATOM 662 O THR A 46 -45.418 -12.468 -42.629 1.00 73.11 O ATOM 663 CB THR A 46 -46.621 -9.840 -41.717 1.00 25.24 C ATOM 664 OG1 THR A 46 -47.876 -9.174 -41.902 1.00 44.02 O ATOM 665 CG2 THR A 46 -45.687 -8.957 -40.905 1.00 71.24 C ATOM 0 H THR A 46 -47.540 -11.370 -43.870 1.00 3.51 H new ATOM 0 HA THR A 46 -45.467 -9.310 -43.462 1.00 24.44 H new ATOM 0 HB THR A 46 -46.781 -10.770 -41.172 1.00 25.24 H new ATOM 0 HG1 THR A 46 -48.265 -8.961 -41.028 1.00 44.02 H new ATOM 0 HG21 THR A 46 -46.147 -8.728 -39.944 1.00 71.24 H new ATOM 0 HG22 THR A 46 -44.744 -9.479 -40.741 1.00 71.24 H new ATOM 0 HG23 THR A 46 -45.499 -8.030 -41.447 1.00 71.24 H new ATOM 673 N LYS A 47 -43.734 -11.044 -43.074 1.00 0.21 N ATOM 674 CA LYS A 47 -42.694 -12.056 -42.933 1.00 2.23 C ATOM 675 C LYS A 47 -41.497 -11.503 -42.166 1.00 54.15 C ATOM 676 O LYS A 47 -41.279 -10.291 -42.124 1.00 31.44 O ATOM 677 CB LYS A 47 -42.246 -12.553 -44.309 1.00 4.32 C ATOM 678 CG LYS A 47 -43.389 -12.725 -45.294 1.00 72.41 C ATOM 679 CD LYS A 47 -42.887 -13.174 -46.657 1.00 75.13 C ATOM 680 CE LYS A 47 -41.929 -12.158 -47.260 1.00 52.44 C ATOM 681 NZ LYS A 47 -42.232 -11.891 -48.694 1.00 24.53 N ATOM 0 H LYS A 47 -43.388 -10.113 -43.307 1.00 0.21 H new ATOM 0 HA LYS A 47 -43.110 -12.892 -42.370 1.00 2.23 H new ATOM 0 HB2 LYS A 47 -41.523 -11.850 -44.723 1.00 4.32 H new ATOM 0 HB3 LYS A 47 -41.731 -13.507 -44.192 1.00 4.32 H new ATOM 0 HG2 LYS A 47 -44.097 -13.457 -44.907 1.00 72.41 H new ATOM 0 HG3 LYS A 47 -43.928 -11.783 -45.396 1.00 72.41 H new ATOM 0 HD2 LYS A 47 -42.385 -14.137 -46.562 1.00 75.13 H new ATOM 0 HD3 LYS A 47 -43.734 -13.320 -47.328 1.00 75.13 H new ATOM 0 HE2 LYS A 47 -41.987 -11.226 -46.697 1.00 52.44 H new ATOM 0 HE3 LYS A 47 -40.906 -12.524 -47.167 1.00 52.44 H new ATOM 0 HZ1 LYS A 47 -41.344 -11.843 -49.233 1.00 24.53 H new ATOM 0 HZ2 LYS A 47 -42.825 -12.657 -49.072 1.00 24.53 H new ATOM 0 HZ3 LYS A 47 -42.739 -10.987 -48.779 1.00 24.53 H new ATOM 695 N LYS A 48 -40.723 -12.397 -41.561 1.00 53.22 N ATOM 696 CA LYS A 48 -39.545 -11.999 -40.798 1.00 21.11 C ATOM 697 C LYS A 48 -38.267 -12.478 -41.480 1.00 5.31 C ATOM 698 O LYS A 48 -38.133 -13.656 -41.813 1.00 53.24 O ATOM 699 CB LYS A 48 -39.620 -12.561 -39.377 1.00 65.43 C ATOM 700 CG LYS A 48 -39.782 -14.071 -39.328 1.00 4.33 C ATOM 701 CD LYS A 48 -40.950 -14.477 -38.445 1.00 73.32 C ATOM 702 CE LYS A 48 -40.630 -14.280 -36.971 1.00 22.03 C ATOM 703 NZ LYS A 48 -41.475 -13.216 -36.358 1.00 71.41 N ATOM 0 H LYS A 48 -40.890 -13.403 -41.584 1.00 53.22 H new ATOM 0 HA LYS A 48 -39.523 -10.910 -40.751 1.00 21.11 H new ATOM 0 HB2 LYS A 48 -38.715 -12.283 -38.837 1.00 65.43 H new ATOM 0 HB3 LYS A 48 -40.457 -12.097 -38.855 1.00 65.43 H new ATOM 0 HG2 LYS A 48 -39.936 -14.454 -40.337 1.00 4.33 H new ATOM 0 HG3 LYS A 48 -38.865 -14.524 -38.952 1.00 4.33 H new ATOM 0 HD2 LYS A 48 -41.829 -13.889 -38.709 1.00 73.32 H new ATOM 0 HD3 LYS A 48 -41.199 -15.522 -38.628 1.00 73.32 H new ATOM 0 HE2 LYS A 48 -40.783 -15.218 -36.437 1.00 22.03 H new ATOM 0 HE3 LYS A 48 -39.578 -14.018 -36.859 1.00 22.03 H new ATOM 0 HZ1 LYS A 48 -41.227 -13.112 -35.353 1.00 71.41 H new ATOM 0 HZ2 LYS A 48 -41.310 -12.315 -36.851 1.00 71.41 H new ATOM 0 HZ3 LYS A 48 -42.478 -13.478 -36.442 1.00 71.41 H new ATOM 717 N THR A 49 -37.330 -11.558 -41.685 1.00 45.42 N ATOM 718 CA THR A 49 -36.063 -11.886 -42.326 1.00 3.34 C ATOM 719 C THR A 49 -34.907 -11.796 -41.337 1.00 44.45 C ATOM 720 O THR A 49 -34.865 -10.899 -40.494 1.00 23.40 O ATOM 721 CB THR A 49 -35.778 -10.953 -43.517 1.00 10.54 C ATOM 722 OG1 THR A 49 -35.158 -9.747 -43.058 1.00 15.04 O ATOM 723 CG2 THR A 49 -37.062 -10.618 -44.261 1.00 10.41 C ATOM 0 H THR A 49 -37.425 -10.579 -41.416 1.00 45.42 H new ATOM 0 HA THR A 49 -36.148 -12.910 -42.689 1.00 3.34 H new ATOM 0 HB THR A 49 -35.104 -11.469 -44.201 1.00 10.54 H new ATOM 0 HG1 THR A 49 -34.185 -9.860 -43.056 1.00 15.04 H new ATOM 0 HG21 THR A 49 -36.836 -9.958 -45.098 1.00 10.41 H new ATOM 0 HG22 THR A 49 -37.516 -11.536 -44.635 1.00 10.41 H new ATOM 0 HG23 THR A 49 -37.756 -10.120 -43.584 1.00 10.41 H new ATOM 731 N LYS A 50 -33.967 -12.729 -41.445 1.00 22.33 N ATOM 732 CA LYS A 50 -32.808 -12.755 -40.562 1.00 4.02 C ATOM 733 C LYS A 50 -31.722 -11.807 -41.060 1.00 35.14 C ATOM 734 O LYS A 50 -31.600 -11.565 -42.262 1.00 51.40 O ATOM 735 CB LYS A 50 -32.251 -14.177 -40.459 1.00 42.13 C ATOM 736 CG LYS A 50 -31.979 -14.823 -41.807 1.00 0.33 C ATOM 737 CD LYS A 50 -32.756 -16.118 -41.970 1.00 11.15 C ATOM 738 CE LYS A 50 -32.273 -17.185 -41.000 1.00 50.22 C ATOM 739 NZ LYS A 50 -30.941 -17.724 -41.387 1.00 73.52 N ATOM 0 H LYS A 50 -33.986 -13.478 -42.137 1.00 22.33 H new ATOM 0 HA LYS A 50 -33.128 -12.424 -39.574 1.00 4.02 H new ATOM 0 HB2 LYS A 50 -31.326 -14.155 -39.883 1.00 42.13 H new ATOM 0 HB3 LYS A 50 -32.957 -14.796 -39.905 1.00 42.13 H new ATOM 0 HG2 LYS A 50 -32.251 -14.132 -42.605 1.00 0.33 H new ATOM 0 HG3 LYS A 50 -30.912 -15.022 -41.908 1.00 0.33 H new ATOM 0 HD2 LYS A 50 -33.817 -15.930 -41.806 1.00 11.15 H new ATOM 0 HD3 LYS A 50 -32.651 -16.480 -42.993 1.00 11.15 H new ATOM 0 HE2 LYS A 50 -32.217 -16.764 -39.996 1.00 50.22 H new ATOM 0 HE3 LYS A 50 -32.998 -17.998 -40.965 1.00 50.22 H new ATOM 0 HZ1 LYS A 50 -30.700 -18.528 -40.773 1.00 73.52 H new ATOM 0 HZ2 LYS A 50 -30.969 -18.041 -42.377 1.00 73.52 H new ATOM 0 HZ3 LYS A 50 -30.222 -16.980 -41.282 1.00 73.52 H new ATOM 753 N CYS A 51 -30.936 -11.274 -40.132 1.00 61.53 N ATOM 754 CA CYS A 51 -29.859 -10.353 -40.477 1.00 24.13 C ATOM 755 C CYS A 51 -28.691 -10.493 -39.506 1.00 4.11 C ATOM 756 O CYS A 51 -28.792 -11.182 -38.490 1.00 5.21 O ATOM 757 CB CYS A 51 -30.372 -8.912 -40.470 1.00 12.12 C ATOM 758 SG CYS A 51 -31.370 -8.484 -39.008 1.00 12.23 S ATOM 0 H CYS A 51 -31.024 -11.464 -39.134 1.00 61.53 H new ATOM 0 HA CYS A 51 -29.508 -10.603 -41.478 1.00 24.13 H new ATOM 0 HB2 CYS A 51 -29.520 -8.234 -40.526 1.00 12.12 H new ATOM 0 HB3 CYS A 51 -30.970 -8.746 -41.366 1.00 12.12 H new ATOM 764 N LYS A 52 -27.581 -9.836 -39.825 1.00 4.41 N ATOM 765 CA LYS A 52 -26.393 -9.885 -38.982 1.00 2.55 C ATOM 766 C LYS A 52 -26.013 -8.489 -38.497 1.00 70.34 C ATOM 767 O LYS A 52 -25.857 -7.565 -39.295 1.00 15.44 O ATOM 768 CB LYS A 52 -25.224 -10.507 -39.748 1.00 4.52 C ATOM 769 CG LYS A 52 -24.426 -11.508 -38.932 1.00 41.03 C ATOM 770 CD LYS A 52 -23.598 -10.819 -37.859 1.00 22.52 C ATOM 771 CE LYS A 52 -22.127 -10.760 -38.242 1.00 30.33 C ATOM 772 NZ LYS A 52 -21.376 -11.945 -37.745 1.00 22.53 N ATOM 0 H LYS A 52 -27.480 -9.263 -40.663 1.00 4.41 H new ATOM 0 HA LYS A 52 -26.619 -10.503 -38.113 1.00 2.55 H new ATOM 0 HB2 LYS A 52 -25.608 -11.002 -40.640 1.00 4.52 H new ATOM 0 HB3 LYS A 52 -24.558 -9.713 -40.085 1.00 4.52 H new ATOM 0 HG2 LYS A 52 -25.105 -12.223 -38.466 1.00 41.03 H new ATOM 0 HG3 LYS A 52 -23.769 -12.075 -39.591 1.00 41.03 H new ATOM 0 HD2 LYS A 52 -23.975 -9.808 -37.700 1.00 22.52 H new ATOM 0 HD3 LYS A 52 -23.708 -11.352 -36.915 1.00 22.52 H new ATOM 0 HE2 LYS A 52 -22.036 -10.702 -39.327 1.00 30.33 H new ATOM 0 HE3 LYS A 52 -21.682 -9.852 -37.836 1.00 30.33 H new ATOM 0 HZ1 LYS A 52 -20.512 -12.071 -38.310 1.00 22.53 H new ATOM 0 HZ2 LYS A 52 -21.119 -11.800 -36.748 1.00 22.53 H new ATOM 0 HZ3 LYS A 52 -21.971 -12.794 -37.829 1.00 22.53 H new ATOM 786 N VAL A 53 -25.860 -8.344 -37.184 1.00 23.45 N ATOM 787 CA VAL A 53 -25.495 -7.063 -36.593 1.00 14.03 C ATOM 788 C VAL A 53 -23.981 -6.919 -36.484 1.00 32.45 C ATOM 789 O VAL A 53 -23.248 -7.901 -36.366 1.00 55.32 O ATOM 790 CB VAL A 53 -26.119 -6.890 -35.196 1.00 45.10 C ATOM 791 CG1 VAL A 53 -27.628 -7.074 -35.258 1.00 62.31 C ATOM 792 CG2 VAL A 53 -25.494 -7.866 -34.211 1.00 45.43 C ATOM 0 H VAL A 53 -25.984 -9.099 -36.510 1.00 23.45 H new ATOM 0 HA VAL A 53 -25.884 -6.288 -37.254 1.00 14.03 H new ATOM 0 HB VAL A 53 -25.916 -5.877 -34.848 1.00 45.10 H new ATOM 0 HG11 VAL A 53 -28.051 -6.948 -34.261 1.00 62.31 H new ATOM 0 HG12 VAL A 53 -28.058 -6.332 -35.931 1.00 62.31 H new ATOM 0 HG13 VAL A 53 -27.858 -8.074 -35.626 1.00 62.31 H new ATOM 0 HG21 VAL A 53 -25.946 -7.731 -33.228 1.00 45.43 H new ATOM 0 HG22 VAL A 53 -25.666 -8.887 -34.552 1.00 45.43 H new ATOM 0 HG23 VAL A 53 -24.422 -7.681 -34.146 1.00 45.43 H new ATOM 802 N PRO A 54 -23.500 -5.668 -36.524 1.00 21.24 N ATOM 803 CA PRO A 54 -22.069 -5.367 -36.429 1.00 13.42 C ATOM 804 C PRO A 54 -21.510 -5.642 -35.038 1.00 35.51 C ATOM 805 O PRO A 54 -21.304 -4.721 -34.247 1.00 23.11 O ATOM 806 CB PRO A 54 -22.001 -3.871 -36.747 1.00 52.25 C ATOM 807 CG PRO A 54 -23.343 -3.343 -36.377 1.00 12.53 C ATOM 808 CD PRO A 54 -24.317 -4.451 -36.664 1.00 5.35 C ATOM 0 HA PRO A 54 -21.476 -5.988 -37.101 1.00 13.42 H new ATOM 0 HB2 PRO A 54 -21.212 -3.381 -36.177 1.00 52.25 H new ATOM 0 HB3 PRO A 54 -21.785 -3.700 -37.802 1.00 52.25 H new ATOM 0 HG2 PRO A 54 -23.374 -3.059 -35.325 1.00 12.53 H new ATOM 0 HG3 PRO A 54 -23.585 -2.451 -36.955 1.00 12.53 H new ATOM 0 HD2 PRO A 54 -25.151 -4.444 -35.963 1.00 5.35 H new ATOM 0 HD3 PRO A 54 -24.741 -4.364 -37.664 1.00 5.35 H new ATOM 816 N CYS A 55 -21.264 -6.914 -34.746 1.00 4.22 N ATOM 817 CA CYS A 55 -20.727 -7.312 -33.449 1.00 14.10 C ATOM 818 C CYS A 55 -19.274 -7.758 -33.576 1.00 73.32 C ATOM 819 O CYS A 55 -18.873 -8.323 -34.593 1.00 22.21 O ATOM 820 CB CYS A 55 -21.568 -8.442 -32.851 1.00 2.45 C ATOM 821 SG CYS A 55 -21.256 -8.743 -31.081 1.00 74.20 S ATOM 0 H CYS A 55 -21.428 -7.688 -35.390 1.00 4.22 H new ATOM 0 HA CYS A 55 -20.767 -6.448 -32.786 1.00 14.10 H new ATOM 0 HB2 CYS A 55 -22.623 -8.207 -32.988 1.00 2.45 H new ATOM 0 HB3 CYS A 55 -21.371 -9.360 -33.405 1.00 2.45 H new ATOM 827 N ASN A 56 -18.488 -7.499 -32.536 1.00 1.22 N ATOM 828 CA ASN A 56 -17.078 -7.873 -32.530 1.00 33.01 C ATOM 829 C ASN A 56 -16.869 -9.195 -31.798 1.00 11.31 C ATOM 830 O ASN A 56 -16.384 -9.219 -30.668 1.00 70.33 O ATOM 831 CB ASN A 56 -16.241 -6.774 -31.873 1.00 43.20 C ATOM 832 CG ASN A 56 -16.040 -5.577 -32.781 1.00 35.32 C ATOM 833 OD1 ASN A 56 -16.028 -5.708 -34.006 1.00 4.30 O ATOM 834 ND2 ASN A 56 -15.882 -4.402 -32.184 1.00 54.24 N ATOM 0 H ASN A 56 -18.804 -7.031 -31.686 1.00 1.22 H new ATOM 0 HA ASN A 56 -16.755 -7.997 -33.564 1.00 33.01 H new ATOM 0 HB2 ASN A 56 -16.729 -6.451 -30.954 1.00 43.20 H new ATOM 0 HB3 ASN A 56 -15.269 -7.180 -31.592 1.00 43.20 H new ATOM 0 HD21 ASN A 56 -15.744 -3.560 -32.743 1.00 54.24 H new ATOM 0 HD22 ASN A 56 -15.899 -4.341 -31.166 1.00 54.24 H new ATOM 841 N TRP A 57 -17.239 -10.291 -32.452 1.00 41.54 N ATOM 842 CA TRP A 57 -17.091 -11.616 -31.863 1.00 65.34 C ATOM 843 C TRP A 57 -16.618 -12.625 -32.905 1.00 43.52 C ATOM 844 O TRP A 57 -16.998 -13.795 -32.868 1.00 54.01 O ATOM 845 CB TRP A 57 -18.417 -12.078 -31.255 1.00 51.15 C ATOM 846 CG TRP A 57 -19.472 -12.366 -32.280 1.00 64.21 C ATOM 847 CD1 TRP A 57 -19.922 -11.521 -33.253 1.00 3.40 C ATOM 848 CD2 TRP A 57 -20.210 -13.585 -32.430 1.00 52.42 C ATOM 849 NE1 TRP A 57 -20.896 -12.139 -33.999 1.00 74.45 N ATOM 850 CE2 TRP A 57 -21.089 -13.407 -33.516 1.00 51.10 C ATOM 851 CE3 TRP A 57 -20.210 -14.808 -31.755 1.00 34.34 C ATOM 852 CZ2 TRP A 57 -21.961 -14.407 -33.939 1.00 12.20 C ATOM 853 CZ3 TRP A 57 -21.076 -15.799 -32.177 1.00 70.21 C ATOM 854 CH2 TRP A 57 -21.941 -15.595 -33.260 1.00 3.13 C ATOM 0 H TRP A 57 -17.643 -10.288 -33.389 1.00 41.54 H new ATOM 0 HA TRP A 57 -16.340 -11.554 -31.076 1.00 65.34 H new ATOM 0 HB2 TRP A 57 -18.243 -12.975 -30.661 1.00 51.15 H new ATOM 0 HB3 TRP A 57 -18.783 -11.310 -30.573 1.00 51.15 H new ATOM 0 HD1 TRP A 57 -19.565 -10.514 -33.413 1.00 3.40 H new ATOM 0 HE1 TRP A 57 -21.395 -11.722 -34.785 1.00 74.45 H new ATOM 0 HE3 TRP A 57 -19.546 -14.976 -30.920 1.00 34.34 H new ATOM 0 HZ2 TRP A 57 -22.629 -14.251 -34.773 1.00 12.20 H new ATOM 0 HZ3 TRP A 57 -21.086 -16.748 -31.662 1.00 70.21 H new ATOM 0 HH2 TRP A 57 -22.605 -16.391 -33.565 1.00 3.13 H new ATOM 865 N LYS A 58 -15.785 -12.164 -33.832 1.00 60.14 N ATOM 866 CA LYS A 58 -15.258 -13.025 -34.883 1.00 74.42 C ATOM 867 C LYS A 58 -13.749 -13.198 -34.740 1.00 50.00 C ATOM 868 O LYS A 58 -13.046 -13.448 -35.719 1.00 42.43 O ATOM 869 CB LYS A 58 -15.587 -12.444 -36.260 1.00 63.42 C ATOM 870 CG LYS A 58 -15.919 -13.499 -37.302 1.00 51.42 C ATOM 871 CD LYS A 58 -17.321 -14.052 -37.107 1.00 65.02 C ATOM 872 CE LYS A 58 -17.298 -15.374 -36.356 1.00 32.43 C ATOM 873 NZ LYS A 58 -18.265 -16.353 -36.926 1.00 14.45 N ATOM 0 H LYS A 58 -15.460 -11.198 -33.876 1.00 60.14 H new ATOM 0 HA LYS A 58 -15.729 -14.003 -34.786 1.00 74.42 H new ATOM 0 HB2 LYS A 58 -16.431 -11.761 -36.165 1.00 63.42 H new ATOM 0 HB3 LYS A 58 -14.739 -11.855 -36.609 1.00 63.42 H new ATOM 0 HG2 LYS A 58 -15.832 -13.067 -38.299 1.00 51.42 H new ATOM 0 HG3 LYS A 58 -15.195 -14.311 -37.243 1.00 51.42 H new ATOM 0 HD2 LYS A 58 -17.925 -13.330 -36.557 1.00 65.02 H new ATOM 0 HD3 LYS A 58 -17.797 -14.192 -38.078 1.00 65.02 H new ATOM 0 HE2 LYS A 58 -16.293 -15.794 -36.391 1.00 32.43 H new ATOM 0 HE3 LYS A 58 -17.534 -15.199 -35.306 1.00 32.43 H new ATOM 0 HZ1 LYS A 58 -18.219 -17.241 -36.386 1.00 14.45 H new ATOM 0 HZ2 LYS A 58 -19.228 -15.963 -36.870 1.00 14.45 H new ATOM 0 HZ3 LYS A 58 -18.025 -16.539 -37.921 1.00 14.45 H new ATOM 887 N LYS A 59 -13.256 -13.063 -33.513 1.00 24.03 N ATOM 888 CA LYS A 59 -11.831 -13.207 -33.240 1.00 40.52 C ATOM 889 C LYS A 59 -11.498 -14.636 -32.826 1.00 64.02 C ATOM 890 O LYS A 59 -12.321 -15.327 -32.226 1.00 4.21 O ATOM 891 CB LYS A 59 -11.402 -12.233 -32.140 1.00 71.24 C ATOM 892 CG LYS A 59 -9.903 -11.990 -32.096 1.00 12.40 C ATOM 893 CD LYS A 59 -9.522 -10.716 -32.833 1.00 43.11 C ATOM 894 CE LYS A 59 -8.364 -10.951 -33.790 1.00 31.01 C ATOM 895 NZ LYS A 59 -7.051 -10.654 -33.154 1.00 63.43 N ATOM 0 H LYS A 59 -13.823 -12.854 -32.691 1.00 24.03 H new ATOM 0 HA LYS A 59 -11.286 -12.977 -34.155 1.00 40.52 H new ATOM 0 HB2 LYS A 59 -11.912 -11.281 -32.289 1.00 71.24 H new ATOM 0 HB3 LYS A 59 -11.728 -12.621 -31.175 1.00 71.24 H new ATOM 0 HG2 LYS A 59 -9.575 -11.923 -31.059 1.00 12.40 H new ATOM 0 HG3 LYS A 59 -9.383 -12.838 -32.541 1.00 12.40 H new ATOM 0 HD2 LYS A 59 -10.384 -10.344 -33.387 1.00 43.11 H new ATOM 0 HD3 LYS A 59 -9.249 -9.945 -32.112 1.00 43.11 H new ATOM 0 HE2 LYS A 59 -8.377 -11.987 -34.129 1.00 31.01 H new ATOM 0 HE3 LYS A 59 -8.490 -10.325 -34.673 1.00 31.01 H new ATOM 0 HZ1 LYS A 59 -6.287 -10.826 -33.838 1.00 63.43 H new ATOM 0 HZ2 LYS A 59 -7.028 -9.659 -32.853 1.00 63.43 H new ATOM 0 HZ3 LYS A 59 -6.919 -11.269 -32.326 1.00 63.43 H new ATOM 909 N ASP A 60 -10.286 -15.073 -33.148 1.00 73.41 N ATOM 910 CA ASP A 60 -9.842 -16.420 -32.808 1.00 63.53 C ATOM 911 C ASP A 60 -8.442 -16.395 -32.203 1.00 45.21 C ATOM 912 O ASP A 60 -8.273 -16.553 -30.993 1.00 23.33 O ATOM 913 CB ASP A 60 -9.859 -17.315 -34.048 1.00 62.23 C ATOM 914 CG ASP A 60 -9.630 -16.535 -35.328 1.00 1.50 C ATOM 915 OD1 ASP A 60 -10.595 -15.922 -35.829 1.00 75.41 O ATOM 916 OD2 ASP A 60 -8.485 -16.538 -35.827 1.00 34.32 O ATOM 0 H ASP A 60 -9.592 -14.514 -33.645 1.00 73.41 H new ATOM 0 HA ASP A 60 -10.531 -16.826 -32.067 1.00 63.53 H new ATOM 0 HB2 ASP A 60 -9.090 -18.081 -33.950 1.00 62.23 H new ATOM 0 HB3 ASP A 60 -10.817 -17.831 -34.107 1.00 62.23 H new ATOM 921 N PHE A 61 -7.440 -16.195 -33.051 1.00 35.11 N ATOM 922 CA PHE A 61 -6.053 -16.151 -32.601 1.00 35.11 C ATOM 923 C PHE A 61 -5.392 -14.836 -33.006 1.00 60.21 C ATOM 924 O PHE A 61 -6.051 -13.923 -33.499 1.00 30.22 O ATOM 925 CB PHE A 61 -5.268 -17.330 -33.182 1.00 32.03 C ATOM 926 CG PHE A 61 -5.964 -18.651 -33.020 1.00 3.05 C ATOM 927 CD1 PHE A 61 -5.952 -19.311 -31.801 1.00 54.55 C ATOM 928 CD2 PHE A 61 -6.631 -19.233 -34.086 1.00 11.31 C ATOM 929 CE1 PHE A 61 -6.591 -20.527 -31.650 1.00 55.01 C ATOM 930 CE2 PHE A 61 -7.272 -20.449 -33.940 1.00 51.11 C ATOM 931 CZ PHE A 61 -7.252 -21.096 -32.720 1.00 22.41 C ATOM 0 H PHE A 61 -7.562 -16.061 -34.055 1.00 35.11 H new ATOM 0 HA PHE A 61 -6.047 -16.221 -31.513 1.00 35.11 H new ATOM 0 HB2 PHE A 61 -5.089 -17.150 -34.242 1.00 32.03 H new ATOM 0 HB3 PHE A 61 -4.293 -17.380 -32.698 1.00 32.03 H new ATOM 0 HD1 PHE A 61 -5.438 -18.870 -30.960 1.00 54.55 H new ATOM 0 HD2 PHE A 61 -6.650 -18.731 -35.042 1.00 11.31 H new ATOM 0 HE1 PHE A 61 -6.573 -21.032 -30.695 1.00 55.01 H new ATOM 0 HE2 PHE A 61 -7.788 -20.893 -34.779 1.00 51.11 H new ATOM 0 HZ PHE A 61 -7.753 -22.046 -32.603 1.00 22.41 H new ATOM 941 N GLY A 62 -4.082 -14.750 -32.792 1.00 70.42 N ATOM 942 CA GLY A 62 -3.353 -13.544 -33.139 1.00 64.54 C ATOM 943 C GLY A 62 -1.916 -13.577 -32.656 1.00 71.13 C ATOM 944 O GLY A 62 -1.174 -14.511 -32.959 1.00 31.13 O ATOM 0 H GLY A 62 -3.514 -15.493 -32.385 1.00 70.42 H new ATOM 0 HA2 GLY A 62 -3.367 -13.413 -34.221 1.00 64.54 H new ATOM 0 HA3 GLY A 62 -3.859 -12.680 -32.707 1.00 64.54 H new ATOM 948 N ALA A 63 -1.522 -12.554 -31.905 1.00 61.14 N ATOM 949 CA ALA A 63 -0.165 -12.470 -31.381 1.00 45.15 C ATOM 950 C ALA A 63 0.142 -13.648 -30.462 1.00 63.15 C ATOM 951 O ALA A 63 1.188 -14.286 -30.585 1.00 23.12 O ATOM 952 CB ALA A 63 0.035 -11.156 -30.640 1.00 11.44 C ATOM 0 H ALA A 63 -2.124 -11.772 -31.646 1.00 61.14 H new ATOM 0 HA ALA A 63 0.526 -12.509 -32.223 1.00 45.15 H new ATOM 0 HB1 ALA A 63 1.053 -11.107 -30.254 1.00 11.44 H new ATOM 0 HB2 ALA A 63 -0.134 -10.324 -31.323 1.00 11.44 H new ATOM 0 HB3 ALA A 63 -0.670 -11.095 -29.811 1.00 11.44 H new ATOM 958 N ASP A 64 -0.774 -13.930 -29.542 1.00 31.50 N ATOM 959 CA ASP A 64 -0.601 -15.033 -28.604 1.00 51.21 C ATOM 960 C ASP A 64 0.703 -14.884 -27.826 1.00 70.33 C ATOM 961 O ASP A 64 1.268 -15.868 -27.346 1.00 55.33 O ATOM 962 CB ASP A 64 -0.618 -16.370 -29.345 1.00 74.31 C ATOM 963 CG ASP A 64 -1.731 -17.282 -28.869 1.00 61.11 C ATOM 964 OD1 ASP A 64 -1.980 -17.324 -27.646 1.00 24.40 O ATOM 965 OD2 ASP A 64 -2.353 -17.953 -29.719 1.00 24.52 O ATOM 0 H ASP A 64 -1.644 -13.410 -29.426 1.00 31.50 H new ATOM 0 HA ASP A 64 -1.430 -15.010 -27.897 1.00 51.21 H new ATOM 0 HB2 ASP A 64 -0.733 -16.188 -30.414 1.00 74.31 H new ATOM 0 HB3 ASP A 64 0.341 -16.870 -29.208 1.00 74.31 H new ATOM 970 N CYS A 65 1.179 -13.649 -27.707 1.00 1.35 N ATOM 971 CA CYS A 65 2.417 -13.371 -26.990 1.00 22.15 C ATOM 972 C CYS A 65 2.154 -12.483 -25.776 1.00 74.24 C ATOM 973 O CYS A 65 1.315 -11.584 -25.819 1.00 71.22 O ATOM 974 CB CYS A 65 3.428 -12.697 -27.919 1.00 71.41 C ATOM 975 SG CYS A 65 3.953 -13.733 -29.322 1.00 35.21 S ATOM 0 H CYS A 65 0.725 -12.824 -28.099 1.00 1.35 H new ATOM 0 HA CYS A 65 2.828 -14.319 -26.643 1.00 22.15 H new ATOM 0 HB2 CYS A 65 2.993 -11.775 -28.305 1.00 71.41 H new ATOM 0 HB3 CYS A 65 4.307 -12.416 -27.339 1.00 71.41 H new ATOM 981 N LYS A 66 2.879 -12.744 -24.693 1.00 55.43 N ATOM 982 CA LYS A 66 2.729 -11.968 -23.467 1.00 73.32 C ATOM 983 C LYS A 66 3.934 -11.060 -23.245 1.00 32.22 C ATOM 984 O LYS A 66 5.061 -11.534 -23.093 1.00 4.43 O ATOM 985 CB LYS A 66 2.554 -12.903 -22.267 1.00 14.44 C ATOM 986 CG LYS A 66 1.377 -12.537 -21.379 1.00 51.02 C ATOM 987 CD LYS A 66 0.051 -12.827 -22.061 1.00 41.00 C ATOM 988 CE LYS A 66 -0.760 -11.556 -22.267 1.00 63.21 C ATOM 989 NZ LYS A 66 -2.219 -11.794 -22.083 1.00 54.14 N ATOM 0 H LYS A 66 3.576 -13.487 -24.639 1.00 55.43 H new ATOM 0 HA LYS A 66 1.841 -11.344 -23.568 1.00 73.32 H new ATOM 0 HB2 LYS A 66 2.423 -13.923 -22.628 1.00 14.44 H new ATOM 0 HB3 LYS A 66 3.466 -12.890 -21.671 1.00 14.44 H new ATOM 0 HG2 LYS A 66 1.437 -13.097 -20.446 1.00 51.02 H new ATOM 0 HG3 LYS A 66 1.430 -11.479 -21.121 1.00 51.02 H new ATOM 0 HD2 LYS A 66 0.233 -13.304 -23.024 1.00 41.00 H new ATOM 0 HD3 LYS A 66 -0.522 -13.532 -21.459 1.00 41.00 H new ATOM 0 HE2 LYS A 66 -0.425 -10.793 -21.564 1.00 63.21 H new ATOM 0 HE3 LYS A 66 -0.579 -11.168 -23.269 1.00 63.21 H new ATOM 0 HZ1 LYS A 66 -2.737 -10.905 -22.232 1.00 54.14 H new ATOM 0 HZ2 LYS A 66 -2.544 -12.503 -22.770 1.00 54.14 H new ATOM 0 HZ3 LYS A 66 -2.395 -12.140 -21.118 1.00 54.14 H new ATOM 1003 N TYR A 67 3.689 -9.755 -23.228 1.00 50.23 N ATOM 1004 CA TYR A 67 4.755 -8.781 -23.026 1.00 13.30 C ATOM 1005 C TYR A 67 4.671 -8.161 -21.635 1.00 11.13 C ATOM 1006 O TYR A 67 3.626 -8.205 -20.985 1.00 0.41 O ATOM 1007 CB TYR A 67 4.681 -7.684 -24.090 1.00 53.32 C ATOM 1008 CG TYR A 67 5.077 -8.154 -25.472 1.00 11.33 C ATOM 1009 CD1 TYR A 67 6.379 -8.556 -25.744 1.00 11.35 C ATOM 1010 CD2 TYR A 67 4.150 -8.193 -26.506 1.00 63.20 C ATOM 1011 CE1 TYR A 67 6.746 -8.985 -27.005 1.00 3.44 C ATOM 1012 CE2 TYR A 67 4.507 -8.623 -27.770 1.00 50.25 C ATOM 1013 CZ TYR A 67 5.805 -9.018 -28.014 1.00 53.54 C ATOM 1014 OH TYR A 67 6.166 -9.443 -29.272 1.00 61.10 O ATOM 0 H TYR A 67 2.762 -9.347 -23.352 1.00 50.23 H new ATOM 0 HA TYR A 67 5.709 -9.301 -23.115 1.00 13.30 H new ATOM 0 HB2 TYR A 67 3.665 -7.292 -24.126 1.00 53.32 H new ATOM 0 HB3 TYR A 67 5.330 -6.859 -23.796 1.00 53.32 H new ATOM 0 HD1 TYR A 67 7.117 -8.533 -24.956 1.00 11.35 H new ATOM 0 HD2 TYR A 67 3.133 -7.882 -26.319 1.00 63.20 H new ATOM 0 HE1 TYR A 67 7.763 -9.293 -27.200 1.00 3.44 H new ATOM 0 HE2 TYR A 67 3.773 -8.649 -28.562 1.00 50.25 H new ATOM 0 HH TYR A 67 5.904 -10.380 -29.388 1.00 61.10 H new ATOM 1024 N LYS A 68 5.778 -7.582 -21.183 1.00 62.00 N ATOM 1025 CA LYS A 68 5.831 -6.951 -19.870 1.00 54.52 C ATOM 1026 C LYS A 68 6.294 -5.501 -19.981 1.00 73.34 C ATOM 1027 O LYS A 68 7.449 -5.232 -20.313 1.00 63.52 O ATOM 1028 CB LYS A 68 6.772 -7.728 -18.946 1.00 2.33 C ATOM 1029 CG LYS A 68 6.302 -7.775 -17.501 1.00 75.30 C ATOM 1030 CD LYS A 68 5.186 -8.789 -17.310 1.00 52.14 C ATOM 1031 CE LYS A 68 4.602 -8.717 -15.908 1.00 14.11 C ATOM 1032 NZ LYS A 68 3.647 -9.830 -15.647 1.00 53.53 N ATOM 0 H LYS A 68 6.652 -7.537 -21.708 1.00 62.00 H new ATOM 0 HA LYS A 68 4.826 -6.962 -19.448 1.00 54.52 H new ATOM 0 HB2 LYS A 68 6.875 -8.747 -19.319 1.00 2.33 H new ATOM 0 HB3 LYS A 68 7.762 -7.273 -18.983 1.00 2.33 H new ATOM 0 HG2 LYS A 68 7.141 -8.029 -16.853 1.00 75.30 H new ATOM 0 HG3 LYS A 68 5.953 -6.788 -17.199 1.00 75.30 H new ATOM 0 HD2 LYS A 68 4.399 -8.608 -18.043 1.00 52.14 H new ATOM 0 HD3 LYS A 68 5.569 -9.793 -17.495 1.00 52.14 H new ATOM 0 HE2 LYS A 68 5.409 -8.752 -15.176 1.00 14.11 H new ATOM 0 HE3 LYS A 68 4.092 -7.763 -15.775 1.00 14.11 H new ATOM 0 HZ1 LYS A 68 3.271 -9.745 -14.681 1.00 53.53 H new ATOM 0 HZ2 LYS A 68 2.863 -9.782 -16.329 1.00 53.53 H new ATOM 0 HZ3 LYS A 68 4.139 -10.741 -15.748 1.00 53.53 H new ATOM 1046 N PHE A 69 5.388 -4.572 -19.701 1.00 32.21 N ATOM 1047 CA PHE A 69 5.704 -3.150 -19.769 1.00 34.10 C ATOM 1048 C PHE A 69 5.907 -2.570 -18.374 1.00 65.13 C ATOM 1049 O PHE A 69 5.423 -3.119 -17.385 1.00 2.33 O ATOM 1050 CB PHE A 69 4.587 -2.391 -20.492 1.00 62.55 C ATOM 1051 CG PHE A 69 4.459 -2.754 -21.944 1.00 43.54 C ATOM 1052 CD1 PHE A 69 5.226 -2.111 -22.902 1.00 33.44 C ATOM 1053 CD2 PHE A 69 3.570 -3.737 -22.350 1.00 63.03 C ATOM 1054 CE1 PHE A 69 5.110 -2.442 -24.238 1.00 35.53 C ATOM 1055 CE2 PHE A 69 3.451 -4.072 -23.685 1.00 20.14 C ATOM 1056 CZ PHE A 69 4.221 -3.424 -24.631 1.00 11.14 C ATOM 0 H PHE A 69 4.428 -4.778 -19.425 1.00 32.21 H new ATOM 0 HA PHE A 69 6.633 -3.037 -20.329 1.00 34.10 H new ATOM 0 HB2 PHE A 69 3.640 -2.590 -19.991 1.00 62.55 H new ATOM 0 HB3 PHE A 69 4.773 -1.320 -20.408 1.00 62.55 H new ATOM 0 HD1 PHE A 69 5.922 -1.342 -22.601 1.00 33.44 H new ATOM 0 HD2 PHE A 69 2.964 -4.246 -21.615 1.00 63.03 H new ATOM 0 HE1 PHE A 69 5.714 -1.934 -24.975 1.00 35.53 H new ATOM 0 HE2 PHE A 69 2.756 -4.841 -23.989 1.00 20.14 H new ATOM 0 HZ PHE A 69 4.128 -3.684 -25.675 1.00 11.14 H new ATOM 1066 N GLY A 70 6.628 -1.455 -18.300 1.00 12.02 N ATOM 1067 CA GLY A 70 6.884 -0.820 -17.022 1.00 42.41 C ATOM 1068 C GLY A 70 6.542 0.657 -17.029 1.00 10.15 C ATOM 1069 O GLY A 70 5.527 1.068 -16.466 1.00 43.52 O ATOM 0 H GLY A 70 7.039 -0.981 -19.104 1.00 12.02 H new ATOM 0 HA2 GLY A 70 6.302 -1.321 -16.248 1.00 42.41 H new ATOM 0 HA3 GLY A 70 7.935 -0.945 -16.762 1.00 42.41 H new ATOM 1073 N ARG A 71 7.388 1.457 -17.668 1.00 74.12 N ATOM 1074 CA ARG A 71 7.171 2.896 -17.745 1.00 43.44 C ATOM 1075 C ARG A 71 7.361 3.400 -19.172 1.00 60.22 C ATOM 1076 O ARG A 71 7.341 2.620 -20.124 1.00 72.01 O ATOM 1077 CB ARG A 71 8.128 3.628 -16.802 1.00 51.34 C ATOM 1078 CG ARG A 71 8.286 2.954 -15.450 1.00 63.55 C ATOM 1079 CD ARG A 71 8.147 3.950 -14.310 1.00 4.31 C ATOM 1080 NE ARG A 71 9.320 4.811 -14.189 1.00 54.34 N ATOM 1081 CZ ARG A 71 9.438 5.770 -13.276 1.00 32.03 C ATOM 1082 NH1 ARG A 71 8.458 5.988 -12.410 1.00 52.23 N ATOM 1083 NH2 ARG A 71 10.537 6.511 -13.230 1.00 41.41 N ATOM 0 H ARG A 71 8.232 1.132 -18.141 1.00 74.12 H new ATOM 0 HA ARG A 71 6.144 3.100 -17.441 1.00 43.44 H new ATOM 0 HB2 ARG A 71 9.106 3.703 -17.277 1.00 51.34 H new ATOM 0 HB3 ARG A 71 7.768 4.646 -16.651 1.00 51.34 H new ATOM 0 HG2 ARG A 71 7.536 2.171 -15.343 1.00 63.55 H new ATOM 0 HG3 ARG A 71 9.262 2.471 -15.395 1.00 63.55 H new ATOM 0 HD2 ARG A 71 7.261 4.565 -14.472 1.00 4.31 H new ATOM 0 HD3 ARG A 71 7.995 3.411 -13.375 1.00 4.31 H new ATOM 0 HE ARG A 71 10.091 4.669 -14.841 1.00 54.34 H new ATOM 0 HH11 ARG A 71 7.612 5.419 -12.444 1.00 52.23 H new ATOM 0 HH12 ARG A 71 8.550 6.724 -11.710 1.00 52.23 H new ATOM 0 HH21 ARG A 71 11.292 6.345 -13.895 1.00 41.41 H new ATOM 0 HH22 ARG A 71 10.627 7.247 -12.529 1.00 41.41 H new ATOM 1097 N TRP A 72 7.545 4.708 -19.312 1.00 13.11 N ATOM 1098 CA TRP A 72 7.738 5.316 -20.625 1.00 23.00 C ATOM 1099 C TRP A 72 8.934 6.262 -20.615 1.00 11.30 C ATOM 1100 O TRP A 72 9.094 7.084 -21.518 1.00 4.14 O ATOM 1101 CB TRP A 72 6.478 6.071 -21.050 1.00 2.51 C ATOM 1102 CG TRP A 72 5.460 5.198 -21.720 1.00 64.31 C ATOM 1103 CD1 TRP A 72 4.269 4.781 -21.200 1.00 1.14 C ATOM 1104 CD2 TRP A 72 5.547 4.634 -23.033 1.00 20.21 C ATOM 1105 NE1 TRP A 72 3.609 3.992 -22.111 1.00 23.34 N ATOM 1106 CE2 TRP A 72 4.371 3.887 -23.244 1.00 12.22 C ATOM 1107 CE3 TRP A 72 6.501 4.689 -24.052 1.00 52.44 C ATOM 1108 CZ2 TRP A 72 4.128 3.201 -24.431 1.00 22.10 C ATOM 1109 CZ3 TRP A 72 6.259 4.008 -25.229 1.00 60.32 C ATOM 1110 CH2 TRP A 72 5.080 3.272 -25.412 1.00 45.35 C ATOM 0 H TRP A 72 7.565 5.368 -18.534 1.00 13.11 H new ATOM 0 HA TRP A 72 7.934 4.519 -21.342 1.00 23.00 H new ATOM 0 HB2 TRP A 72 6.027 6.535 -20.172 1.00 2.51 H new ATOM 0 HB3 TRP A 72 6.758 6.877 -21.728 1.00 2.51 H new ATOM 0 HD1 TRP A 72 3.900 5.034 -20.217 1.00 1.14 H new ATOM 0 HE1 TRP A 72 2.699 3.555 -21.967 1.00 23.34 H new ATOM 0 HE3 TRP A 72 7.412 5.254 -23.922 1.00 52.44 H new ATOM 0 HZ2 TRP A 72 3.220 2.633 -24.573 1.00 22.10 H new ATOM 0 HZ3 TRP A 72 6.991 4.043 -26.022 1.00 60.32 H new ATOM 0 HH2 TRP A 72 4.920 2.751 -26.344 1.00 45.35 H new ATOM 1121 N ALA A 73 9.771 6.141 -19.590 1.00 30.44 N ATOM 1122 CA ALA A 73 10.953 6.984 -19.466 1.00 51.13 C ATOM 1123 C ALA A 73 10.583 8.462 -19.540 1.00 72.33 C ATOM 1124 O ALA A 73 9.407 8.814 -19.605 1.00 24.23 O ATOM 1125 CB ALA A 73 11.966 6.637 -20.547 1.00 44.11 C ATOM 0 H ALA A 73 9.652 5.467 -18.834 1.00 30.44 H new ATOM 0 HA ALA A 73 11.401 6.796 -18.490 1.00 51.13 H new ATOM 0 HB1 ALA A 73 12.844 7.275 -20.442 1.00 44.11 H new ATOM 0 HB2 ALA A 73 12.262 5.593 -20.446 1.00 44.11 H new ATOM 0 HB3 ALA A 73 11.519 6.794 -21.529 1.00 44.11 H new ATOM 1131 N GLU A 74 11.598 9.322 -19.529 1.00 3.55 N ATOM 1132 CA GLU A 74 11.377 10.762 -19.593 1.00 54.14 C ATOM 1133 C GLU A 74 11.205 11.222 -21.039 1.00 23.44 C ATOM 1134 O GLU A 74 11.614 10.534 -21.974 1.00 34.42 O ATOM 1135 CB GLU A 74 12.545 11.509 -18.944 1.00 35.33 C ATOM 1136 CG GLU A 74 12.804 11.099 -17.505 1.00 23.34 C ATOM 1137 CD GLU A 74 11.842 11.749 -16.531 1.00 3.00 C ATOM 1138 OE1 GLU A 74 12.050 12.932 -16.191 1.00 1.13 O ATOM 1139 OE2 GLU A 74 10.879 11.074 -16.108 1.00 54.41 O ATOM 0 H GLU A 74 12.579 9.047 -19.476 1.00 3.55 H new ATOM 0 HA GLU A 74 10.462 10.988 -19.046 1.00 54.14 H new ATOM 0 HB2 GLU A 74 13.447 11.335 -19.531 1.00 35.33 H new ATOM 0 HB3 GLU A 74 12.344 12.580 -18.977 1.00 35.33 H new ATOM 0 HG2 GLU A 74 12.724 10.015 -17.420 1.00 23.34 H new ATOM 0 HG3 GLU A 74 13.825 11.366 -17.233 1.00 23.34 H new ATOM 1146 N CYS A 75 10.596 12.390 -21.213 1.00 74.11 N ATOM 1147 CA CYS A 75 10.368 12.943 -22.543 1.00 41.21 C ATOM 1148 C CYS A 75 11.657 13.521 -23.119 1.00 13.13 C ATOM 1149 O CYS A 75 12.387 14.240 -22.437 1.00 53.13 O ATOM 1150 CB CYS A 75 9.288 14.026 -22.489 1.00 72.43 C ATOM 1151 SG CYS A 75 7.686 13.447 -21.845 1.00 34.03 S ATOM 0 H CYS A 75 10.251 12.972 -20.450 1.00 74.11 H new ATOM 0 HA CYS A 75 10.031 12.136 -23.193 1.00 41.21 H new ATOM 0 HB2 CYS A 75 9.643 14.847 -21.866 1.00 72.43 H new ATOM 0 HB3 CYS A 75 9.141 14.427 -23.492 1.00 72.43 H new ATOM 1157 N ASP A 76 11.930 13.203 -24.380 1.00 31.25 N ATOM 1158 CA ASP A 76 13.129 13.692 -25.050 1.00 2.31 C ATOM 1159 C ASP A 76 12.801 14.875 -25.956 1.00 34.31 C ATOM 1160 O ASP A 76 11.953 14.775 -26.844 1.00 1.31 O ATOM 1161 CB ASP A 76 13.776 12.572 -25.866 1.00 23.43 C ATOM 1162 CG ASP A 76 15.286 12.683 -25.906 1.00 55.04 C ATOM 1163 OD1 ASP A 76 15.793 13.801 -26.138 1.00 71.05 O ATOM 1164 OD2 ASP A 76 15.963 11.653 -25.706 1.00 33.22 O ATOM 0 H ASP A 76 11.337 12.608 -24.959 1.00 31.25 H new ATOM 0 HA ASP A 76 13.831 14.026 -24.286 1.00 2.31 H new ATOM 0 HB2 ASP A 76 13.497 11.608 -25.440 1.00 23.43 H new ATOM 0 HB3 ASP A 76 13.386 12.596 -26.884 1.00 23.43 H new ATOM 1169 N THR A 77 13.478 15.996 -25.727 1.00 64.55 N ATOM 1170 CA THR A 77 13.259 17.198 -26.520 1.00 30.42 C ATOM 1171 C THR A 77 13.799 17.029 -27.935 1.00 20.22 C ATOM 1172 O THR A 77 13.353 17.702 -28.866 1.00 63.40 O ATOM 1173 CB THR A 77 13.923 18.428 -25.872 1.00 31.43 C ATOM 1174 OG1 THR A 77 15.343 18.361 -26.037 1.00 15.10 O ATOM 1175 CG2 THR A 77 13.582 18.509 -24.392 1.00 0.51 C ATOM 0 H THR A 77 14.184 16.096 -24.997 1.00 64.55 H new ATOM 0 HA THR A 77 12.181 17.357 -26.562 1.00 30.42 H new ATOM 0 HB THR A 77 13.542 19.322 -26.366 1.00 31.43 H new ATOM 0 HG1 THR A 77 15.758 19.147 -25.624 1.00 15.10 H new ATOM 0 HG21 THR A 77 14.062 19.385 -23.956 1.00 0.51 H new ATOM 0 HG22 THR A 77 12.502 18.589 -24.271 1.00 0.51 H new ATOM 0 HG23 THR A 77 13.938 17.611 -23.887 1.00 0.51 H new ATOM 1183 N THR A 78 14.762 16.127 -28.093 1.00 61.42 N ATOM 1184 CA THR A 78 15.364 15.870 -29.395 1.00 71.11 C ATOM 1185 C THR A 78 14.297 15.596 -30.449 1.00 64.21 C ATOM 1186 O THR A 78 14.016 16.441 -31.299 1.00 42.32 O ATOM 1187 CB THR A 78 16.334 14.674 -29.340 1.00 53.35 C ATOM 1188 OG1 THR A 78 17.394 14.947 -28.417 1.00 64.21 O ATOM 1189 CG2 THR A 78 16.915 14.385 -30.716 1.00 22.23 C ATOM 0 H THR A 78 15.142 15.561 -27.334 1.00 61.42 H new ATOM 0 HA THR A 78 15.920 16.767 -29.669 1.00 71.11 H new ATOM 0 HB THR A 78 15.778 13.798 -29.007 1.00 53.35 H new ATOM 0 HG1 THR A 78 17.129 14.656 -27.520 1.00 64.21 H new ATOM 0 HG21 THR A 78 17.597 13.537 -30.652 1.00 22.23 H new ATOM 0 HG22 THR A 78 16.108 14.150 -31.410 1.00 22.23 H new ATOM 0 HG23 THR A 78 17.457 15.260 -31.073 1.00 22.23 H new ATOM 1197 N THR A 79 13.704 14.407 -30.389 1.00 23.15 N ATOM 1198 CA THR A 79 12.668 14.021 -31.338 1.00 23.15 C ATOM 1199 C THR A 79 11.279 14.330 -30.792 1.00 13.33 C ATOM 1200 O THR A 79 10.276 14.159 -31.485 1.00 42.41 O ATOM 1201 CB THR A 79 12.751 12.522 -31.681 1.00 30.03 C ATOM 1202 OG1 THR A 79 11.637 12.144 -32.499 1.00 53.24 O ATOM 1203 CG2 THR A 79 12.765 11.677 -30.416 1.00 44.43 C ATOM 0 H THR A 79 13.924 13.695 -29.693 1.00 23.15 H new ATOM 0 HA THR A 79 12.837 14.603 -32.244 1.00 23.15 H new ATOM 0 HB THR A 79 13.679 12.348 -32.226 1.00 30.03 H new ATOM 0 HG1 THR A 79 11.010 12.894 -32.565 1.00 53.24 H new ATOM 0 HG21 THR A 79 12.824 10.622 -30.684 1.00 44.43 H new ATOM 0 HG22 THR A 79 13.629 11.946 -29.808 1.00 44.43 H new ATOM 0 HG23 THR A 79 11.852 11.857 -29.848 1.00 44.43 H new ATOM 1211 N GLY A 80 11.226 14.787 -29.544 1.00 74.31 N ATOM 1212 CA GLY A 80 9.954 15.113 -28.927 1.00 44.34 C ATOM 1213 C GLY A 80 9.197 13.880 -28.471 1.00 51.35 C ATOM 1214 O GLY A 80 8.081 13.981 -27.961 1.00 61.24 O ATOM 0 H GLY A 80 12.041 14.937 -28.950 1.00 74.31 H new ATOM 0 HA2 GLY A 80 10.126 15.767 -28.072 1.00 44.34 H new ATOM 0 HA3 GLY A 80 9.342 15.670 -29.636 1.00 44.34 H new ATOM 1218 N THR A 81 9.806 12.713 -28.658 1.00 24.34 N ATOM 1219 CA THR A 81 9.181 11.456 -28.265 1.00 70.45 C ATOM 1220 C THR A 81 10.155 10.577 -27.488 1.00 35.44 C ATOM 1221 O THR A 81 11.371 10.695 -27.643 1.00 31.01 O ATOM 1222 CB THR A 81 8.669 10.675 -29.491 1.00 52.34 C ATOM 1223 OG1 THR A 81 9.776 10.176 -30.250 1.00 52.21 O ATOM 1224 CG2 THR A 81 7.802 11.562 -30.373 1.00 22.23 C ATOM 0 H THR A 81 10.730 12.612 -29.078 1.00 24.34 H new ATOM 0 HA THR A 81 8.335 11.710 -27.626 1.00 70.45 H new ATOM 0 HB THR A 81 8.065 9.839 -29.137 1.00 52.34 H new ATOM 0 HG1 THR A 81 9.443 9.679 -31.026 1.00 52.21 H new ATOM 0 HG21 THR A 81 7.452 10.990 -31.232 1.00 22.23 H new ATOM 0 HG22 THR A 81 6.945 11.918 -29.801 1.00 22.23 H new ATOM 0 HG23 THR A 81 8.387 12.414 -30.719 1.00 22.23 H new ATOM 1232 N ARG A 82 9.613 9.697 -26.653 1.00 74.54 N ATOM 1233 CA ARG A 82 10.435 8.799 -25.852 1.00 63.54 C ATOM 1234 C ARG A 82 10.182 7.343 -26.233 1.00 33.42 C ATOM 1235 O ARG A 82 9.062 6.968 -26.579 1.00 21.25 O ATOM 1236 CB ARG A 82 10.151 9.004 -24.363 1.00 2.04 C ATOM 1237 CG ARG A 82 11.002 8.132 -23.453 1.00 13.24 C ATOM 1238 CD ARG A 82 12.486 8.380 -23.674 1.00 50.21 C ATOM 1239 NE ARG A 82 13.184 7.174 -24.110 1.00 15.43 N ATOM 1240 CZ ARG A 82 14.470 7.149 -24.441 1.00 34.23 C ATOM 1241 NH1 ARG A 82 15.194 8.258 -24.387 1.00 62.35 N ATOM 1242 NH2 ARG A 82 15.033 6.012 -24.829 1.00 70.32 N ATOM 0 H ARG A 82 8.609 9.587 -26.514 1.00 74.54 H new ATOM 0 HA ARG A 82 11.481 9.032 -26.051 1.00 63.54 H new ATOM 0 HB2 ARG A 82 10.320 10.051 -24.111 1.00 2.04 H new ATOM 0 HB3 ARG A 82 9.098 8.796 -24.171 1.00 2.04 H new ATOM 0 HG2 ARG A 82 10.749 8.334 -22.412 1.00 13.24 H new ATOM 0 HG3 ARG A 82 10.776 7.082 -23.638 1.00 13.24 H new ATOM 0 HD2 ARG A 82 12.615 9.163 -24.421 1.00 50.21 H new ATOM 0 HD3 ARG A 82 12.934 8.744 -22.749 1.00 50.21 H new ATOM 0 HE ARG A 82 12.655 6.303 -24.163 1.00 15.43 H new ATOM 0 HH11 ARG A 82 14.764 9.134 -24.091 1.00 62.35 H new ATOM 0 HH12 ARG A 82 16.181 8.235 -24.642 1.00 62.35 H new ATOM 0 HH21 ARG A 82 14.478 5.157 -24.873 1.00 70.32 H new ATOM 0 HH22 ARG A 82 16.021 5.993 -25.083 1.00 70.32 H new ATOM 1256 N SER A 83 11.230 6.528 -26.168 1.00 4.15 N ATOM 1257 CA SER A 83 11.121 5.115 -26.510 1.00 71.35 C ATOM 1258 C SER A 83 11.192 4.245 -25.258 1.00 32.32 C ATOM 1259 O SER A 83 11.960 4.524 -24.339 1.00 63.12 O ATOM 1260 CB SER A 83 12.233 4.717 -27.484 1.00 1.34 C ATOM 1261 OG SER A 83 13.508 5.061 -26.970 1.00 31.15 O ATOM 0 H SER A 83 12.164 6.822 -25.882 1.00 4.15 H new ATOM 0 HA SER A 83 10.154 4.956 -26.988 1.00 71.35 H new ATOM 0 HB2 SER A 83 12.190 3.644 -27.671 1.00 1.34 H new ATOM 0 HB3 SER A 83 12.077 5.214 -28.442 1.00 1.34 H new ATOM 0 HG SER A 83 14.201 4.795 -27.610 1.00 31.15 H new ATOM 1267 N ARG A 84 10.383 3.191 -25.232 1.00 31.11 N ATOM 1268 CA ARG A 84 10.351 2.280 -24.094 1.00 53.13 C ATOM 1269 C ARG A 84 10.652 0.850 -24.533 1.00 53.33 C ATOM 1270 O ARG A 84 10.230 0.417 -25.605 1.00 64.11 O ATOM 1271 CB ARG A 84 8.987 2.338 -23.406 1.00 20.33 C ATOM 1272 CG ARG A 84 8.770 1.228 -22.390 1.00 13.21 C ATOM 1273 CD ARG A 84 9.790 1.297 -21.263 1.00 34.34 C ATOM 1274 NE ARG A 84 9.953 0.010 -20.594 1.00 72.04 N ATOM 1275 CZ ARG A 84 10.568 -0.137 -19.426 1.00 42.31 C ATOM 1276 NH1 ARG A 84 11.074 0.917 -18.801 1.00 32.15 N ATOM 1277 NH2 ARG A 84 10.678 -1.341 -18.879 1.00 60.20 N ATOM 0 H ARG A 84 9.741 2.947 -25.986 1.00 31.11 H new ATOM 0 HA ARG A 84 11.120 2.594 -23.388 1.00 53.13 H new ATOM 0 HB2 ARG A 84 8.882 3.301 -22.907 1.00 20.33 H new ATOM 0 HB3 ARG A 84 8.205 2.284 -24.163 1.00 20.33 H new ATOM 0 HG2 ARG A 84 7.764 1.303 -21.977 1.00 13.21 H new ATOM 0 HG3 ARG A 84 8.840 0.260 -22.886 1.00 13.21 H new ATOM 0 HD2 ARG A 84 10.751 1.622 -21.663 1.00 34.34 H new ATOM 0 HD3 ARG A 84 9.477 2.046 -20.536 1.00 34.34 H new ATOM 0 HE ARG A 84 9.574 -0.821 -21.048 1.00 72.04 H new ATOM 0 HH11 ARG A 84 10.992 1.845 -19.217 1.00 32.15 H new ATOM 0 HH12 ARG A 84 11.546 0.800 -17.904 1.00 32.15 H new ATOM 0 HH21 ARG A 84 10.290 -2.155 -19.356 1.00 60.20 H new ATOM 0 HH22 ARG A 84 11.151 -1.452 -17.982 1.00 60.20 H new ATOM 1291 N SER A 85 11.387 0.123 -23.698 1.00 22.51 N ATOM 1292 CA SER A 85 11.749 -1.257 -24.002 1.00 4.03 C ATOM 1293 C SER A 85 11.110 -2.218 -23.003 1.00 63.33 C ATOM 1294 O SER A 85 11.272 -2.070 -21.792 1.00 30.12 O ATOM 1295 CB SER A 85 13.269 -1.423 -23.986 1.00 13.01 C ATOM 1296 OG SER A 85 13.745 -1.878 -25.241 1.00 0.14 O ATOM 0 H SER A 85 11.744 0.466 -22.806 1.00 22.51 H new ATOM 0 HA SER A 85 11.376 -1.494 -24.998 1.00 4.03 H new ATOM 0 HB2 SER A 85 13.739 -0.471 -23.738 1.00 13.01 H new ATOM 0 HB3 SER A 85 13.553 -2.131 -23.207 1.00 13.01 H new ATOM 0 HG SER A 85 14.720 -1.975 -25.206 1.00 0.14 H new ATOM 1302 N GLY A 86 10.385 -3.205 -23.521 1.00 65.04 N ATOM 1303 CA GLY A 86 9.733 -4.176 -22.662 1.00 2.22 C ATOM 1304 C GLY A 86 10.242 -5.585 -22.890 1.00 64.33 C ATOM 1305 O GLY A 86 10.885 -5.867 -23.901 1.00 15.20 O ATOM 0 H GLY A 86 10.238 -3.349 -24.520 1.00 65.04 H new ATOM 0 HA2 GLY A 86 9.892 -3.900 -21.620 1.00 2.22 H new ATOM 0 HA3 GLY A 86 8.658 -4.148 -22.838 1.00 2.22 H new ATOM 1309 N THR A 87 9.958 -6.477 -21.944 1.00 54.41 N ATOM 1310 CA THR A 87 10.393 -7.863 -22.044 1.00 73.35 C ATOM 1311 C THR A 87 9.205 -8.817 -22.016 1.00 54.22 C ATOM 1312 O THR A 87 8.289 -8.660 -21.208 1.00 42.12 O ATOM 1313 CB THR A 87 11.360 -8.233 -20.904 1.00 51.30 C ATOM 1314 OG1 THR A 87 10.774 -7.903 -19.639 1.00 61.30 O ATOM 1315 CG2 THR A 87 12.685 -7.502 -21.059 1.00 52.14 C ATOM 0 H THR A 87 9.428 -6.262 -21.100 1.00 54.41 H new ATOM 0 HA THR A 87 10.912 -7.962 -22.997 1.00 73.35 H new ATOM 0 HB THR A 87 11.547 -9.306 -20.950 1.00 51.30 H new ATOM 0 HG1 THR A 87 11.394 -8.143 -18.919 1.00 61.30 H new ATOM 0 HG21 THR A 87 13.351 -7.779 -20.242 1.00 52.14 H new ATOM 0 HG22 THR A 87 13.143 -7.776 -22.010 1.00 52.14 H new ATOM 0 HG23 THR A 87 12.512 -6.426 -21.036 1.00 52.14 H new ATOM 1323 N LEU A 88 9.224 -9.805 -22.903 1.00 75.14 N ATOM 1324 CA LEU A 88 8.147 -10.786 -22.980 1.00 64.22 C ATOM 1325 C LEU A 88 8.525 -12.068 -22.247 1.00 22.31 C ATOM 1326 O LEU A 88 9.683 -12.490 -22.265 1.00 10.41 O ATOM 1327 CB LEU A 88 7.817 -11.098 -24.441 1.00 74.21 C ATOM 1328 CG LEU A 88 8.288 -12.458 -24.959 1.00 54.24 C ATOM 1329 CD1 LEU A 88 7.504 -12.856 -26.199 1.00 74.43 C ATOM 1330 CD2 LEU A 88 9.781 -12.426 -25.256 1.00 30.42 C ATOM 0 H LEU A 88 9.974 -9.948 -23.580 1.00 75.14 H new ATOM 0 HA LEU A 88 7.267 -10.360 -22.499 1.00 64.22 H new ATOM 0 HB2 LEU A 88 6.736 -11.037 -24.570 1.00 74.21 H new ATOM 0 HB3 LEU A 88 8.257 -10.321 -25.066 1.00 74.21 H new ATOM 0 HG LEU A 88 8.107 -13.204 -24.185 1.00 54.24 H new ATOM 0 HD11 LEU A 88 7.852 -13.826 -26.554 1.00 74.43 H new ATOM 0 HD12 LEU A 88 6.444 -12.918 -25.955 1.00 74.43 H new ATOM 0 HD13 LEU A 88 7.653 -12.109 -26.979 1.00 74.43 H new ATOM 0 HD21 LEU A 88 10.100 -13.401 -25.624 1.00 30.42 H new ATOM 0 HD22 LEU A 88 9.985 -11.669 -26.013 1.00 30.42 H new ATOM 0 HD23 LEU A 88 10.328 -12.185 -24.345 1.00 30.42 H new ATOM 1342 N LYS A 89 7.541 -12.688 -21.603 1.00 62.15 N ATOM 1343 CA LYS A 89 7.770 -13.926 -20.866 1.00 12.52 C ATOM 1344 C LYS A 89 7.350 -15.136 -21.693 1.00 70.51 C ATOM 1345 O LYS A 89 8.114 -16.090 -21.848 1.00 71.22 O ATOM 1346 CB LYS A 89 6.997 -13.905 -19.545 1.00 43.22 C ATOM 1347 CG LYS A 89 7.645 -13.043 -18.475 1.00 62.52 C ATOM 1348 CD LYS A 89 6.874 -13.106 -17.166 1.00 71.12 C ATOM 1349 CE LYS A 89 7.748 -12.709 -15.986 1.00 31.05 C ATOM 1350 NZ LYS A 89 7.396 -13.469 -14.755 1.00 21.22 N ATOM 0 H LYS A 89 6.578 -12.354 -21.577 1.00 62.15 H new ATOM 0 HA LYS A 89 8.837 -14.004 -20.656 1.00 12.52 H new ATOM 0 HB2 LYS A 89 5.987 -13.541 -19.731 1.00 43.22 H new ATOM 0 HB3 LYS A 89 6.905 -14.925 -19.171 1.00 43.22 H new ATOM 0 HG2 LYS A 89 8.670 -13.375 -18.311 1.00 62.52 H new ATOM 0 HG3 LYS A 89 7.695 -12.010 -18.820 1.00 62.52 H new ATOM 0 HD2 LYS A 89 6.010 -12.444 -17.219 1.00 71.12 H new ATOM 0 HD3 LYS A 89 6.493 -14.116 -17.015 1.00 71.12 H new ATOM 0 HE2 LYS A 89 8.795 -12.884 -16.234 1.00 31.05 H new ATOM 0 HE3 LYS A 89 7.640 -11.641 -15.797 1.00 31.05 H new ATOM 0 HZ1 LYS A 89 8.014 -13.170 -13.974 1.00 21.22 H new ATOM 0 HZ2 LYS A 89 6.404 -13.282 -14.503 1.00 21.22 H new ATOM 0 HZ3 LYS A 89 7.524 -14.487 -14.927 1.00 21.22 H new ATOM 1364 N LYS A 90 6.133 -15.092 -22.224 1.00 54.21 N ATOM 1365 CA LYS A 90 5.613 -16.184 -23.039 1.00 54.42 C ATOM 1366 C LYS A 90 5.705 -15.847 -24.524 1.00 11.50 C ATOM 1367 O LYS A 90 5.204 -14.813 -24.967 1.00 65.24 O ATOM 1368 CB LYS A 90 4.160 -16.483 -22.661 1.00 52.54 C ATOM 1369 CG LYS A 90 3.794 -17.953 -22.765 1.00 42.14 C ATOM 1370 CD LYS A 90 3.327 -18.507 -21.429 1.00 51.40 C ATOM 1371 CE LYS A 90 2.221 -19.536 -21.609 1.00 61.15 C ATOM 1372 NZ LYS A 90 0.874 -18.903 -21.634 1.00 21.12 N ATOM 0 H LYS A 90 5.488 -14.311 -22.105 1.00 54.21 H new ATOM 0 HA LYS A 90 6.221 -17.068 -22.847 1.00 54.42 H new ATOM 0 HB2 LYS A 90 3.982 -16.144 -21.640 1.00 52.54 H new ATOM 0 HB3 LYS A 90 3.499 -15.906 -23.308 1.00 52.54 H new ATOM 0 HG2 LYS A 90 3.007 -18.081 -23.508 1.00 42.14 H new ATOM 0 HG3 LYS A 90 4.657 -18.520 -23.113 1.00 42.14 H new ATOM 0 HD2 LYS A 90 4.169 -18.963 -20.909 1.00 51.40 H new ATOM 0 HD3 LYS A 90 2.968 -17.692 -20.801 1.00 51.40 H new ATOM 0 HE2 LYS A 90 2.382 -20.084 -22.537 1.00 61.15 H new ATOM 0 HE3 LYS A 90 2.266 -20.263 -20.798 1.00 61.15 H new ATOM 0 HZ1 LYS A 90 0.148 -19.637 -21.758 1.00 21.12 H new ATOM 0 HZ2 LYS A 90 0.710 -18.401 -20.738 1.00 21.12 H new ATOM 0 HZ3 LYS A 90 0.822 -18.228 -22.423 1.00 21.12 H new ATOM 1386 N ALA A 91 6.346 -16.725 -25.287 1.00 21.51 N ATOM 1387 CA ALA A 91 6.500 -16.522 -26.723 1.00 4.33 C ATOM 1388 C ALA A 91 5.332 -17.132 -27.491 1.00 32.30 C ATOM 1389 O ALA A 91 4.405 -16.429 -27.893 1.00 31.11 O ATOM 1390 CB ALA A 91 7.817 -17.113 -27.202 1.00 24.21 C ATOM 0 H ALA A 91 6.768 -17.585 -24.935 1.00 21.51 H new ATOM 0 HA ALA A 91 6.506 -15.449 -26.915 1.00 4.33 H new ATOM 0 HB1 ALA A 91 7.918 -16.954 -28.276 1.00 24.21 H new ATOM 0 HB2 ALA A 91 8.644 -16.627 -26.684 1.00 24.21 H new ATOM 0 HB3 ALA A 91 7.834 -18.182 -26.990 1.00 24.21 H new ATOM 1396 N LEU A 92 5.385 -18.445 -27.693 1.00 13.34 N ATOM 1397 CA LEU A 92 4.332 -19.150 -28.415 1.00 22.11 C ATOM 1398 C LEU A 92 4.031 -18.466 -29.745 1.00 61.14 C ATOM 1399 O LEU A 92 4.772 -17.587 -30.185 1.00 60.51 O ATOM 1400 CB LEU A 92 3.062 -19.220 -27.565 1.00 54.44 C ATOM 1401 CG LEU A 92 3.271 -19.339 -26.055 1.00 24.31 C ATOM 1402 CD1 LEU A 92 1.939 -19.534 -25.346 1.00 1.11 C ATOM 1403 CD2 LEU A 92 4.219 -20.486 -25.737 1.00 12.02 C ATOM 0 H LEU A 92 6.145 -19.042 -27.367 1.00 13.34 H new ATOM 0 HA LEU A 92 4.681 -20.162 -28.619 1.00 22.11 H new ATOM 0 HB2 LEU A 92 2.468 -18.327 -27.760 1.00 54.44 H new ATOM 0 HB3 LEU A 92 2.472 -20.074 -27.898 1.00 54.44 H new ATOM 0 HG LEU A 92 3.719 -18.413 -25.695 1.00 24.31 H new ATOM 0 HD11 LEU A 92 2.107 -19.617 -24.272 1.00 1.11 H new ATOM 0 HD12 LEU A 92 1.291 -18.681 -25.547 1.00 1.11 H new ATOM 0 HD13 LEU A 92 1.463 -20.445 -25.710 1.00 1.11 H new ATOM 0 HD21 LEU A 92 4.356 -20.556 -24.658 1.00 12.02 H new ATOM 0 HD22 LEU A 92 3.799 -21.420 -26.111 1.00 12.02 H new ATOM 0 HD23 LEU A 92 5.182 -20.305 -26.214 1.00 12.02 H new ATOM 1415 N PHE A 93 2.937 -18.874 -30.379 1.00 71.30 N ATOM 1416 CA PHE A 93 2.536 -18.300 -31.659 1.00 63.34 C ATOM 1417 C PHE A 93 3.596 -18.558 -32.726 1.00 61.34 C ATOM 1418 O PHE A 93 4.661 -17.942 -32.721 1.00 4.01 O ATOM 1419 CB PHE A 93 2.298 -16.796 -31.514 1.00 35.00 C ATOM 1420 CG PHE A 93 1.836 -16.138 -32.783 1.00 75.00 C ATOM 1421 CD1 PHE A 93 0.866 -16.732 -33.574 1.00 4.23 C ATOM 1422 CD2 PHE A 93 2.372 -14.925 -33.185 1.00 10.12 C ATOM 1423 CE1 PHE A 93 0.437 -16.130 -34.742 1.00 43.34 C ATOM 1424 CE2 PHE A 93 1.947 -14.317 -34.352 1.00 25.43 C ATOM 1425 CZ PHE A 93 0.980 -14.920 -35.131 1.00 23.51 C ATOM 0 H PHE A 93 2.312 -19.600 -30.028 1.00 71.30 H new ATOM 0 HA PHE A 93 1.608 -18.780 -31.970 1.00 63.34 H new ATOM 0 HB2 PHE A 93 1.555 -16.627 -30.735 1.00 35.00 H new ATOM 0 HB3 PHE A 93 3.221 -16.320 -31.182 1.00 35.00 H new ATOM 0 HD1 PHE A 93 0.439 -17.678 -33.274 1.00 4.23 H new ATOM 0 HD2 PHE A 93 3.130 -14.449 -32.580 1.00 10.12 H new ATOM 0 HE1 PHE A 93 -0.320 -16.604 -35.349 1.00 43.34 H new ATOM 0 HE2 PHE A 93 2.371 -13.371 -34.654 1.00 25.43 H new ATOM 0 HZ PHE A 93 0.648 -14.447 -36.043 1.00 23.51 H new ATOM 1435 N ASN A 94 3.296 -19.475 -33.641 1.00 4.22 N ATOM 1436 CA ASN A 94 4.222 -19.817 -34.714 1.00 70.12 C ATOM 1437 C ASN A 94 5.457 -20.523 -34.162 1.00 71.12 C ATOM 1438 O ASN A 94 5.580 -21.744 -34.256 1.00 13.33 O ATOM 1439 CB ASN A 94 4.639 -18.558 -35.476 1.00 1.41 C ATOM 1440 CG ASN A 94 4.069 -18.517 -36.882 1.00 62.33 C ATOM 1441 OD1 ASN A 94 4.604 -19.144 -37.797 1.00 20.13 O ATOM 1442 ND2 ASN A 94 2.980 -17.779 -37.058 1.00 41.14 N ATOM 0 H ASN A 94 2.418 -19.994 -33.660 1.00 4.22 H new ATOM 0 HA ASN A 94 3.712 -20.496 -35.398 1.00 70.12 H new ATOM 0 HB2 ASN A 94 4.307 -17.677 -34.926 1.00 1.41 H new ATOM 0 HB3 ASN A 94 5.727 -18.511 -35.526 1.00 1.41 H new ATOM 0 HD21 ASN A 94 2.552 -17.714 -37.981 1.00 41.14 H new ATOM 0 HD22 ASN A 94 2.571 -17.277 -36.270 1.00 41.14 H new ATOM 1449 N ALA A 95 6.369 -19.746 -33.587 1.00 11.40 N ATOM 1450 CA ALA A 95 7.593 -20.296 -33.018 1.00 32.43 C ATOM 1451 C ALA A 95 8.007 -19.532 -31.766 1.00 65.23 C ATOM 1452 O ALA A 95 7.910 -20.049 -30.652 1.00 33.14 O ATOM 1453 CB ALA A 95 8.712 -20.271 -34.049 1.00 2.31 C ATOM 0 H ALA A 95 6.283 -18.733 -33.503 1.00 11.40 H new ATOM 0 HA ALA A 95 7.400 -21.330 -32.733 1.00 32.43 H new ATOM 0 HB1 ALA A 95 9.620 -20.685 -33.610 1.00 2.31 H new ATOM 0 HB2 ALA A 95 8.423 -20.867 -34.914 1.00 2.31 H new ATOM 0 HB3 ALA A 95 8.896 -19.243 -34.362 1.00 2.31 H new ATOM 1459 N GLU A 96 8.471 -18.302 -31.955 1.00 2.22 N ATOM 1460 CA GLU A 96 8.902 -17.469 -30.838 1.00 42.34 C ATOM 1461 C GLU A 96 8.656 -15.991 -31.134 1.00 32.41 C ATOM 1462 O GLU A 96 8.650 -15.572 -32.291 1.00 34.10 O ATOM 1463 CB GLU A 96 10.385 -17.700 -30.542 1.00 33.21 C ATOM 1464 CG GLU A 96 10.640 -18.396 -29.217 1.00 45.21 C ATOM 1465 CD GLU A 96 11.918 -19.213 -29.222 1.00 72.21 C ATOM 1466 OE1 GLU A 96 12.244 -19.798 -30.276 1.00 30.41 O ATOM 1467 OE2 GLU A 96 12.592 -19.268 -28.172 1.00 3.33 O ATOM 0 H GLU A 96 8.558 -17.860 -32.870 1.00 2.22 H new ATOM 0 HA GLU A 96 8.316 -17.750 -29.963 1.00 42.34 H new ATOM 0 HB2 GLU A 96 10.818 -18.296 -31.345 1.00 33.21 H new ATOM 0 HB3 GLU A 96 10.901 -16.740 -30.544 1.00 33.21 H new ATOM 0 HG2 GLU A 96 10.693 -17.650 -28.424 1.00 45.21 H new ATOM 0 HG3 GLU A 96 9.798 -19.048 -28.986 1.00 45.21 H new ATOM 1474 N CYS A 97 8.453 -15.209 -30.080 1.00 40.12 N ATOM 1475 CA CYS A 97 8.205 -13.779 -30.225 1.00 22.30 C ATOM 1476 C CYS A 97 9.456 -12.974 -29.889 1.00 42.54 C ATOM 1477 O CYS A 97 10.408 -13.499 -29.312 1.00 25.40 O ATOM 1478 CB CYS A 97 7.049 -13.347 -29.322 1.00 2.32 C ATOM 1479 SG CYS A 97 5.521 -12.927 -30.221 1.00 1.41 S ATOM 0 H CYS A 97 8.455 -15.541 -29.116 1.00 40.12 H new ATOM 0 HA CYS A 97 7.938 -13.585 -31.264 1.00 22.30 H new ATOM 0 HB2 CYS A 97 6.834 -14.149 -28.616 1.00 2.32 H new ATOM 0 HB3 CYS A 97 7.363 -12.483 -28.736 1.00 2.32 H new ATOM 1485 N GLN A 98 9.447 -11.695 -30.253 1.00 25.32 N ATOM 1486 CA GLN A 98 10.580 -10.818 -29.990 1.00 43.31 C ATOM 1487 C GLN A 98 10.905 -10.780 -28.500 1.00 2.42 C ATOM 1488 O GLN A 98 10.007 -10.728 -27.659 1.00 65.32 O ATOM 1489 CB GLN A 98 10.287 -9.404 -30.496 1.00 25.20 C ATOM 1490 CG GLN A 98 9.702 -9.370 -31.899 1.00 74.13 C ATOM 1491 CD GLN A 98 10.274 -10.451 -32.796 1.00 41.41 C ATOM 1492 OE1 GLN A 98 11.487 -10.533 -32.992 1.00 15.34 O ATOM 1493 NE2 GLN A 98 9.401 -11.288 -33.345 1.00 13.52 N ATOM 0 H GLN A 98 8.667 -11.244 -30.731 1.00 25.32 H new ATOM 0 HA GLN A 98 11.445 -11.215 -30.522 1.00 43.31 H new ATOM 0 HB2 GLN A 98 9.593 -8.918 -29.810 1.00 25.20 H new ATOM 0 HB3 GLN A 98 11.209 -8.823 -30.481 1.00 25.20 H new ATOM 0 HG2 GLN A 98 8.620 -9.487 -31.840 1.00 74.13 H new ATOM 0 HG3 GLN A 98 9.894 -8.394 -32.345 1.00 74.13 H new ATOM 0 HE21 GLN A 98 8.404 -11.183 -33.155 1.00 13.52 H new ATOM 0 HE22 GLN A 98 9.727 -12.036 -33.957 1.00 13.52 H new ATOM 1502 N THR A 99 12.195 -10.804 -28.179 1.00 54.03 N ATOM 1503 CA THR A 99 12.639 -10.774 -26.792 1.00 1.35 C ATOM 1504 C THR A 99 12.692 -9.345 -26.263 1.00 65.42 C ATOM 1505 O THR A 99 13.130 -9.104 -25.137 1.00 41.20 O ATOM 1506 CB THR A 99 14.028 -11.420 -26.631 1.00 1.15 C ATOM 1507 OG1 THR A 99 14.877 -11.031 -27.716 1.00 40.30 O ATOM 1508 CG2 THR A 99 13.916 -12.937 -26.587 1.00 62.10 C ATOM 0 H THR A 99 12.951 -10.844 -28.862 1.00 54.03 H new ATOM 0 HA THR A 99 11.912 -11.346 -26.216 1.00 1.35 H new ATOM 0 HB THR A 99 14.459 -11.075 -25.691 1.00 1.15 H new ATOM 0 HG1 THR A 99 15.759 -11.444 -27.606 1.00 40.30 H new ATOM 0 HG21 THR A 99 14.909 -13.372 -26.473 1.00 62.10 H new ATOM 0 HG22 THR A 99 13.292 -13.231 -25.743 1.00 62.10 H new ATOM 0 HG23 THR A 99 13.467 -13.296 -27.513 1.00 62.10 H new ATOM 1516 N THR A 100 12.243 -8.399 -27.080 1.00 33.15 N ATOM 1517 CA THR A 100 12.239 -6.993 -26.695 1.00 51.12 C ATOM 1518 C THR A 100 11.294 -6.183 -27.575 1.00 72.44 C ATOM 1519 O THR A 100 11.087 -6.510 -28.744 1.00 72.54 O ATOM 1520 CB THR A 100 13.652 -6.384 -26.781 1.00 33.02 C ATOM 1521 OG1 THR A 100 14.631 -7.426 -26.850 1.00 43.24 O ATOM 1522 CG2 THR A 100 13.932 -5.496 -25.578 1.00 64.20 C ATOM 0 H THR A 100 11.877 -8.581 -28.014 1.00 33.15 H new ATOM 0 HA THR A 100 11.894 -6.949 -25.662 1.00 51.12 H new ATOM 0 HB THR A 100 13.707 -5.775 -27.683 1.00 33.02 H new ATOM 0 HG1 THR A 100 15.526 -7.031 -26.906 1.00 43.24 H new ATOM 0 HG21 THR A 100 14.935 -5.077 -25.660 1.00 64.20 H new ATOM 0 HG22 THR A 100 13.202 -4.687 -25.545 1.00 64.20 H new ATOM 0 HG23 THR A 100 13.859 -6.087 -24.665 1.00 64.20 H new ATOM 1530 N ILE A 101 10.725 -5.126 -27.008 1.00 2.41 N ATOM 1531 CA ILE A 101 9.803 -4.269 -27.743 1.00 52.25 C ATOM 1532 C ILE A 101 10.369 -2.861 -27.901 1.00 3.12 C ATOM 1533 O ILE A 101 10.999 -2.326 -26.988 1.00 32.43 O ATOM 1534 CB ILE A 101 8.434 -4.184 -27.043 1.00 11.55 C ATOM 1535 CG1 ILE A 101 8.414 -5.080 -25.803 1.00 55.50 C ATOM 1536 CG2 ILE A 101 7.323 -4.577 -28.006 1.00 4.51 C ATOM 1537 CD1 ILE A 101 7.086 -5.080 -25.079 1.00 52.11 C ATOM 0 H ILE A 101 10.886 -4.842 -26.042 1.00 2.41 H new ATOM 0 HA ILE A 101 9.671 -4.718 -28.727 1.00 52.25 H new ATOM 0 HB ILE A 101 8.267 -3.155 -26.726 1.00 11.55 H new ATOM 0 HG12 ILE A 101 8.658 -6.101 -26.098 1.00 55.50 H new ATOM 0 HG13 ILE A 101 9.194 -4.752 -25.115 1.00 55.50 H new ATOM 0 HG21 ILE A 101 6.361 -4.512 -27.498 1.00 4.51 H new ATOM 0 HG22 ILE A 101 7.327 -3.902 -28.862 1.00 4.51 H new ATOM 0 HG23 ILE A 101 7.484 -5.599 -28.349 1.00 4.51 H new ATOM 0 HD11 ILE A 101 7.145 -5.736 -24.211 1.00 52.11 H new ATOM 0 HD12 ILE A 101 6.849 -4.067 -24.753 1.00 52.11 H new ATOM 0 HD13 ILE A 101 6.305 -5.436 -25.751 1.00 52.11 H new ATOM 1549 N LYS A 102 10.139 -2.265 -29.066 1.00 34.33 N ATOM 1550 CA LYS A 102 10.622 -0.918 -29.345 1.00 71.14 C ATOM 1551 C LYS A 102 9.465 0.016 -29.684 1.00 43.10 C ATOM 1552 O LYS A 102 9.080 0.148 -30.845 1.00 40.10 O ATOM 1553 CB LYS A 102 11.626 -0.942 -30.500 1.00 25.32 C ATOM 1554 CG LYS A 102 12.871 -1.762 -30.206 1.00 74.30 C ATOM 1555 CD LYS A 102 13.768 -1.069 -29.195 1.00 64.34 C ATOM 1556 CE LYS A 102 14.604 0.022 -29.846 1.00 73.31 C ATOM 1557 NZ LYS A 102 15.881 -0.512 -30.396 1.00 54.31 N ATOM 0 H LYS A 102 9.621 -2.694 -29.833 1.00 34.33 H new ATOM 0 HA LYS A 102 11.117 -0.545 -28.449 1.00 71.14 H new ATOM 0 HB2 LYS A 102 11.137 -1.344 -31.387 1.00 25.32 H new ATOM 0 HB3 LYS A 102 11.922 0.081 -30.735 1.00 25.32 H new ATOM 0 HG2 LYS A 102 12.581 -2.742 -29.826 1.00 74.30 H new ATOM 0 HG3 LYS A 102 13.424 -1.930 -31.130 1.00 74.30 H new ATOM 0 HD2 LYS A 102 13.158 -0.637 -28.402 1.00 64.34 H new ATOM 0 HD3 LYS A 102 14.425 -1.802 -28.728 1.00 64.34 H new ATOM 0 HE2 LYS A 102 14.031 0.490 -30.647 1.00 73.31 H new ATOM 0 HE3 LYS A 102 14.821 0.799 -29.113 1.00 73.31 H new ATOM 0 HZ1 LYS A 102 16.422 0.262 -30.831 1.00 54.31 H new ATOM 0 HZ2 LYS A 102 16.440 -0.936 -29.628 1.00 54.31 H new ATOM 0 HZ3 LYS A 102 15.674 -1.236 -31.114 1.00 54.31 H new ATOM 1571 N VAL A 103 8.915 0.664 -28.661 1.00 20.20 N ATOM 1572 CA VAL A 103 7.803 1.588 -28.852 1.00 3.14 C ATOM 1573 C VAL A 103 8.246 3.031 -28.638 1.00 3.14 C ATOM 1574 O VAL A 103 9.231 3.293 -27.948 1.00 12.52 O ATOM 1575 CB VAL A 103 6.640 1.271 -27.893 1.00 2.34 C ATOM 1576 CG1 VAL A 103 5.895 0.026 -28.349 1.00 12.25 C ATOM 1577 CG2 VAL A 103 7.153 1.104 -26.471 1.00 3.23 C ATOM 0 H VAL A 103 9.221 0.566 -27.693 1.00 20.20 H new ATOM 0 HA VAL A 103 7.460 1.465 -29.879 1.00 3.14 H new ATOM 0 HB VAL A 103 5.942 2.108 -27.908 1.00 2.34 H new ATOM 0 HG11 VAL A 103 5.077 -0.182 -27.659 1.00 12.25 H new ATOM 0 HG12 VAL A 103 5.494 0.188 -29.349 1.00 12.25 H new ATOM 0 HG13 VAL A 103 6.580 -0.822 -28.366 1.00 12.25 H new ATOM 0 HG21 VAL A 103 6.318 0.881 -25.807 1.00 3.23 H new ATOM 0 HG22 VAL A 103 7.872 0.286 -26.437 1.00 3.23 H new ATOM 0 HG23 VAL A 103 7.637 2.026 -26.148 1.00 3.23 H new ATOM 1587 N SER A 104 7.510 3.965 -29.233 1.00 3.14 N ATOM 1588 CA SER A 104 7.827 5.383 -29.110 1.00 23.20 C ATOM 1589 C SER A 104 6.562 6.232 -29.188 1.00 63.03 C ATOM 1590 O SER A 104 5.662 5.955 -29.980 1.00 31.11 O ATOM 1591 CB SER A 104 8.806 5.804 -30.207 1.00 74.03 C ATOM 1592 OG SER A 104 9.662 4.733 -30.567 1.00 43.42 O ATOM 0 H SER A 104 6.690 3.765 -29.805 1.00 3.14 H new ATOM 0 HA SER A 104 8.291 5.543 -28.137 1.00 23.20 H new ATOM 0 HB2 SER A 104 8.252 6.141 -31.083 1.00 74.03 H new ATOM 0 HB3 SER A 104 9.402 6.649 -29.862 1.00 74.03 H new ATOM 0 HG SER A 104 10.277 5.028 -31.271 1.00 43.42 H new ATOM 1598 N LYS A 105 6.501 7.267 -28.357 1.00 30.22 N ATOM 1599 CA LYS A 105 5.348 8.160 -28.330 1.00 23.03 C ATOM 1600 C LYS A 105 5.756 9.562 -27.891 1.00 23.13 C ATOM 1601 O LYS A 105 6.533 9.744 -26.954 1.00 12.31 O ATOM 1602 CB LYS A 105 4.274 7.610 -27.387 1.00 50.31 C ATOM 1603 CG LYS A 105 3.259 6.716 -28.077 1.00 62.34 C ATOM 1604 CD LYS A 105 1.863 7.312 -28.023 1.00 3.42 C ATOM 1605 CE LYS A 105 1.155 6.959 -26.723 1.00 53.32 C ATOM 1606 NZ LYS A 105 0.712 8.174 -25.985 1.00 55.13 N ATOM 0 H LYS A 105 7.237 7.508 -27.693 1.00 30.22 H new ATOM 0 HA LYS A 105 4.941 8.219 -29.339 1.00 23.03 H new ATOM 0 HB2 LYS A 105 4.757 7.048 -26.588 1.00 50.31 H new ATOM 0 HB3 LYS A 105 3.752 8.444 -26.919 1.00 50.31 H new ATOM 0 HG2 LYS A 105 3.552 6.566 -29.116 1.00 62.34 H new ATOM 0 HG3 LYS A 105 3.255 5.735 -27.603 1.00 62.34 H new ATOM 0 HD2 LYS A 105 1.925 8.396 -28.122 1.00 3.42 H new ATOM 0 HD3 LYS A 105 1.278 6.948 -28.868 1.00 3.42 H new ATOM 0 HE2 LYS A 105 0.291 6.330 -26.939 1.00 53.32 H new ATOM 0 HE3 LYS A 105 1.825 6.375 -26.092 1.00 53.32 H new ATOM 0 HZ1 LYS A 105 0.234 7.891 -25.106 1.00 55.13 H new ATOM 0 HZ2 LYS A 105 1.539 8.762 -25.756 1.00 55.13 H new ATOM 0 HZ3 LYS A 105 0.053 8.719 -26.577 1.00 55.13 H new ATOM 1620 N PRO A 106 5.220 10.579 -28.583 1.00 4.41 N ATOM 1621 CA PRO A 106 5.512 11.983 -28.280 1.00 55.01 C ATOM 1622 C PRO A 106 4.900 12.431 -26.958 1.00 71.21 C ATOM 1623 O PRO A 106 3.702 12.263 -26.727 1.00 73.01 O ATOM 1624 CB PRO A 106 4.872 12.738 -29.449 1.00 1.21 C ATOM 1625 CG PRO A 106 3.789 11.838 -29.934 1.00 2.20 C ATOM 1626 CD PRO A 106 4.286 10.436 -29.712 1.00 23.23 C ATOM 0 HA PRO A 106 6.582 12.163 -28.172 1.00 55.01 H new ATOM 0 HB2 PRO A 106 4.473 13.700 -29.128 1.00 1.21 H new ATOM 0 HB3 PRO A 106 5.600 12.941 -30.235 1.00 1.21 H new ATOM 0 HG2 PRO A 106 2.862 12.014 -29.389 1.00 2.20 H new ATOM 0 HG3 PRO A 106 3.578 12.015 -30.989 1.00 2.20 H new ATOM 0 HD2 PRO A 106 3.470 9.754 -29.474 1.00 23.23 H new ATOM 0 HD3 PRO A 106 4.784 10.041 -30.598 1.00 23.23 H new ATOM 1634 N CYS A 107 5.729 13.002 -26.091 1.00 51.25 N ATOM 1635 CA CYS A 107 5.271 13.475 -24.791 1.00 1.15 C ATOM 1636 C CYS A 107 6.022 14.736 -24.374 1.00 43.04 C ATOM 1637 O CYS A 107 7.202 14.901 -24.686 1.00 62.24 O ATOM 1638 CB CYS A 107 5.455 12.385 -23.734 1.00 44.12 C ATOM 1639 SG CYS A 107 7.196 12.033 -23.325 1.00 22.22 S ATOM 0 H CYS A 107 6.723 13.148 -26.266 1.00 51.25 H new ATOM 0 HA CYS A 107 4.211 13.716 -24.874 1.00 1.15 H new ATOM 0 HB2 CYS A 107 4.932 12.683 -22.825 1.00 44.12 H new ATOM 0 HB3 CYS A 107 4.983 11.468 -24.087 1.00 44.12 H new ATOM 1645 N THR A 108 5.332 15.624 -23.665 1.00 22.42 N ATOM 1646 CA THR A 108 5.933 16.870 -23.206 1.00 22.20 C ATOM 1647 C THR A 108 6.484 16.726 -21.792 1.00 20.13 C ATOM 1648 O THR A 108 5.952 15.984 -20.965 1.00 53.43 O ATOM 1649 CB THR A 108 4.917 18.027 -23.233 1.00 61.30 C ATOM 1650 OG1 THR A 108 3.616 17.546 -22.877 1.00 31.31 O ATOM 1651 CG2 THR A 108 4.866 18.669 -24.611 1.00 51.24 C ATOM 0 H THR A 108 4.356 15.503 -23.396 1.00 22.42 H new ATOM 0 HA THR A 108 6.750 17.098 -23.890 1.00 22.20 H new ATOM 0 HB THR A 108 5.236 18.778 -22.510 1.00 61.30 H new ATOM 0 HG1 THR A 108 2.977 18.288 -22.895 1.00 31.31 H new ATOM 0 HG21 THR A 108 4.142 19.484 -24.606 1.00 51.24 H new ATOM 0 HG22 THR A 108 5.851 19.060 -24.867 1.00 51.24 H new ATOM 0 HG23 THR A 108 4.569 17.924 -25.349 1.00 51.24 H new ATOM 1659 N PRO A 109 7.575 17.451 -21.504 1.00 73.13 N ATOM 1660 CA PRO A 109 8.221 17.420 -20.189 1.00 54.42 C ATOM 1661 C PRO A 109 7.373 18.089 -19.111 1.00 53.20 C ATOM 1662 O PRO A 109 7.232 17.567 -18.005 1.00 53.11 O ATOM 1663 CB PRO A 109 9.516 18.205 -20.412 1.00 43.03 C ATOM 1664 CG PRO A 109 9.220 19.108 -21.560 1.00 62.33 C ATOM 1665 CD PRO A 109 8.262 18.355 -22.441 1.00 14.45 C ATOM 0 HA PRO A 109 8.379 16.401 -19.836 1.00 54.42 H new ATOM 0 HB2 PRO A 109 9.793 18.772 -19.523 1.00 43.03 H new ATOM 0 HB3 PRO A 109 10.349 17.539 -20.637 1.00 43.03 H new ATOM 0 HG2 PRO A 109 8.781 20.045 -21.217 1.00 62.33 H new ATOM 0 HG3 PRO A 109 10.131 19.362 -22.102 1.00 62.33 H new ATOM 0 HD2 PRO A 109 7.562 19.026 -22.938 1.00 14.45 H new ATOM 0 HD3 PRO A 109 8.784 17.803 -23.222 1.00 14.45 H new ATOM 1673 N LYS A 110 6.810 19.246 -19.441 1.00 73.15 N ATOM 1674 CA LYS A 110 5.975 19.986 -18.503 1.00 11.15 C ATOM 1675 C LYS A 110 5.313 21.178 -19.187 1.00 44.42 C ATOM 1676 O LYS A 110 5.461 21.377 -20.394 1.00 4.22 O ATOM 1677 CB LYS A 110 6.808 20.465 -17.313 1.00 61.13 C ATOM 1678 CG LYS A 110 6.226 20.076 -15.965 1.00 11.41 C ATOM 1679 CD LYS A 110 6.383 21.192 -14.946 1.00 52.14 C ATOM 1680 CE LYS A 110 6.676 20.643 -13.559 1.00 3.02 C ATOM 1681 NZ LYS A 110 5.563 20.915 -12.608 1.00 22.25 N ATOM 0 H LYS A 110 6.917 19.692 -20.352 1.00 73.15 H new ATOM 0 HA LYS A 110 5.194 19.315 -18.144 1.00 11.15 H new ATOM 0 HB2 LYS A 110 7.814 20.055 -17.396 1.00 61.13 H new ATOM 0 HB3 LYS A 110 6.901 21.550 -17.359 1.00 61.13 H new ATOM 0 HG2 LYS A 110 5.170 19.834 -16.080 1.00 11.41 H new ATOM 0 HG3 LYS A 110 6.722 19.176 -15.600 1.00 11.41 H new ATOM 0 HD2 LYS A 110 7.191 21.856 -15.254 1.00 52.14 H new ATOM 0 HD3 LYS A 110 5.472 21.790 -14.917 1.00 52.14 H new ATOM 0 HE2 LYS A 110 6.845 19.568 -13.622 1.00 3.02 H new ATOM 0 HE3 LYS A 110 7.595 21.088 -13.179 1.00 3.02 H new ATOM 0 HZ1 LYS A 110 5.801 20.525 -11.674 1.00 22.25 H new ATOM 0 HZ2 LYS A 110 5.418 21.942 -12.528 1.00 22.25 H new ATOM 0 HZ3 LYS A 110 4.691 20.469 -12.957 1.00 22.25 H new ATOM 1695 N THR A 111 4.584 21.972 -18.408 1.00 61.33 N ATOM 1696 CA THR A 111 3.900 23.145 -18.939 1.00 42.14 C ATOM 1697 C THR A 111 2.995 22.773 -20.106 1.00 24.55 C ATOM 1698 O THR A 111 3.288 23.058 -21.267 1.00 23.20 O ATOM 1699 CB THR A 111 4.903 24.217 -19.404 1.00 70.13 C ATOM 1700 OG1 THR A 111 6.035 24.242 -18.526 1.00 53.23 O ATOM 1701 CG2 THR A 111 4.251 25.591 -19.438 1.00 24.35 C ATOM 0 H THR A 111 4.452 21.824 -17.407 1.00 61.33 H new ATOM 0 HA THR A 111 3.294 23.551 -18.129 1.00 42.14 H new ATOM 0 HB THR A 111 5.230 23.963 -20.412 1.00 70.13 H new ATOM 0 HG1 THR A 111 6.669 24.925 -18.829 1.00 53.23 H new ATOM 0 HG21 THR A 111 4.979 26.331 -19.769 1.00 24.35 H new ATOM 0 HG22 THR A 111 3.408 25.577 -20.129 1.00 24.35 H new ATOM 0 HG23 THR A 111 3.898 25.851 -18.440 1.00 24.35 H new ATOM 1709 N PRO A 112 1.865 22.119 -19.794 1.00 12.04 N ATOM 1710 CA PRO A 112 0.891 21.694 -20.805 1.00 53.13 C ATOM 1711 C PRO A 112 0.154 22.873 -21.431 1.00 11.14 C ATOM 1712 O PRO A 112 -0.871 23.321 -20.917 1.00 43.30 O ATOM 1713 CB PRO A 112 -0.080 20.815 -20.014 1.00 34.21 C ATOM 1714 CG PRO A 112 0.025 21.301 -18.611 1.00 3.42 C ATOM 1715 CD PRO A 112 1.451 21.746 -18.432 1.00 23.11 C ATOM 0 HA PRO A 112 1.368 21.181 -21.640 1.00 53.13 H new ATOM 0 HB2 PRO A 112 -1.098 20.912 -20.391 1.00 34.21 H new ATOM 0 HB3 PRO A 112 0.189 19.761 -20.089 1.00 34.21 H new ATOM 0 HG2 PRO A 112 -0.666 22.124 -18.430 1.00 3.42 H new ATOM 0 HG3 PRO A 112 -0.229 20.511 -17.904 1.00 3.42 H new ATOM 0 HD2 PRO A 112 1.526 22.588 -17.744 1.00 23.11 H new ATOM 0 HD3 PRO A 112 2.073 20.948 -18.027 1.00 23.11 H new ATOM 1723 N LYS A 113 0.681 23.372 -22.544 1.00 22.04 N ATOM 1724 CA LYS A 113 0.072 24.498 -23.242 1.00 53.30 C ATOM 1725 C LYS A 113 -0.967 24.016 -24.250 1.00 64.34 C ATOM 1726 O LYS A 113 -0.974 22.857 -24.663 1.00 72.21 O ATOM 1727 CB LYS A 113 1.145 25.323 -23.956 1.00 41.24 C ATOM 1728 CG LYS A 113 1.456 26.641 -23.267 1.00 42.12 C ATOM 1729 CD LYS A 113 2.950 26.919 -23.241 1.00 21.41 C ATOM 1730 CE LYS A 113 3.368 27.824 -24.390 1.00 65.33 C ATOM 1731 NZ LYS A 113 4.816 28.166 -24.326 1.00 71.22 N ATOM 0 H LYS A 113 1.530 23.014 -22.982 1.00 22.04 H new ATOM 0 HA LYS A 113 -0.427 25.124 -22.503 1.00 53.30 H new ATOM 0 HB2 LYS A 113 2.059 24.734 -24.024 1.00 41.24 H new ATOM 0 HB3 LYS A 113 0.818 25.524 -24.976 1.00 41.24 H new ATOM 0 HG2 LYS A 113 0.943 27.452 -23.784 1.00 42.12 H new ATOM 0 HG3 LYS A 113 1.071 26.619 -22.247 1.00 42.12 H new ATOM 0 HD2 LYS A 113 3.218 27.385 -22.293 1.00 21.41 H new ATOM 0 HD3 LYS A 113 3.497 25.978 -23.300 1.00 21.41 H new ATOM 0 HE2 LYS A 113 3.153 27.331 -25.338 1.00 65.33 H new ATOM 0 HE3 LYS A 113 2.777 28.739 -24.365 1.00 65.33 H new ATOM 0 HZ1 LYS A 113 5.062 28.784 -25.125 1.00 71.22 H new ATOM 0 HZ2 LYS A 113 5.017 28.659 -23.433 1.00 71.22 H new ATOM 0 HZ3 LYS A 113 5.381 27.294 -24.375 1.00 71.22 H new ATOM 1745 N PRO A 114 -1.865 24.926 -24.657 1.00 60.23 N ATOM 1746 CA PRO A 114 -2.923 24.617 -25.623 1.00 21.41 C ATOM 1747 C PRO A 114 -2.376 24.384 -27.027 1.00 54.14 C ATOM 1748 O PRO A 114 -1.354 24.955 -27.409 1.00 51.51 O ATOM 1749 CB PRO A 114 -3.806 25.866 -25.593 1.00 2.54 C ATOM 1750 CG PRO A 114 -2.899 26.962 -25.149 1.00 30.41 C ATOM 1751 CD PRO A 114 -1.915 26.327 -24.206 1.00 3.20 C ATOM 0 HA PRO A 114 -3.452 23.698 -25.369 1.00 21.41 H new ATOM 0 HB2 PRO A 114 -4.228 26.076 -26.576 1.00 2.54 H new ATOM 0 HB3 PRO A 114 -4.643 25.742 -24.906 1.00 2.54 H new ATOM 0 HG2 PRO A 114 -2.389 27.415 -25.999 1.00 30.41 H new ATOM 0 HG3 PRO A 114 -3.459 27.755 -24.653 1.00 30.41 H new ATOM 0 HD2 PRO A 114 -0.936 26.803 -24.266 1.00 3.20 H new ATOM 0 HD3 PRO A 114 -2.244 26.404 -23.170 1.00 3.20 H new ATOM 1759 N LYS A 115 -3.062 23.543 -27.793 1.00 30.43 N ATOM 1760 CA LYS A 115 -2.648 23.235 -29.156 1.00 53.42 C ATOM 1761 C LYS A 115 -2.659 24.490 -30.024 1.00 10.21 C ATOM 1762 O LYS A 115 -1.864 24.622 -30.953 1.00 20.54 O ATOM 1763 CB LYS A 115 -3.566 22.174 -29.764 1.00 73.44 C ATOM 1764 CG LYS A 115 -4.972 22.673 -30.044 1.00 14.23 C ATOM 1765 CD LYS A 115 -5.985 21.541 -30.007 1.00 31.02 C ATOM 1766 CE LYS A 115 -6.370 21.091 -31.408 1.00 10.33 C ATOM 1767 NZ LYS A 115 -5.330 20.214 -32.013 1.00 33.55 N ATOM 0 H LYS A 115 -3.909 23.062 -27.492 1.00 30.43 H new ATOM 0 HA LYS A 115 -1.630 22.847 -29.120 1.00 53.42 H new ATOM 0 HB2 LYS A 115 -3.125 21.815 -30.694 1.00 73.44 H new ATOM 0 HB3 LYS A 115 -3.620 21.322 -29.087 1.00 73.44 H new ATOM 0 HG2 LYS A 115 -5.244 23.429 -29.308 1.00 14.23 H new ATOM 0 HG3 LYS A 115 -5.000 23.155 -31.021 1.00 14.23 H new ATOM 0 HD2 LYS A 115 -5.570 20.698 -29.454 1.00 31.02 H new ATOM 0 HD3 LYS A 115 -6.876 21.866 -29.471 1.00 31.02 H new ATOM 0 HE2 LYS A 115 -7.319 20.556 -31.370 1.00 10.33 H new ATOM 0 HE3 LYS A 115 -6.522 21.965 -32.042 1.00 10.33 H new ATOM 0 HZ1 LYS A 115 -5.629 19.928 -32.967 1.00 33.55 H new ATOM 0 HZ2 LYS A 115 -4.430 20.733 -32.073 1.00 33.55 H new ATOM 0 HZ3 LYS A 115 -5.203 19.368 -31.422 1.00 33.55 H new ATOM 1781 N GLY A 116 -3.567 25.411 -29.714 1.00 21.22 N ATOM 1782 CA GLY A 116 -3.664 26.643 -30.474 1.00 23.33 C ATOM 1783 C GLY A 116 -4.726 27.578 -29.930 1.00 33.11 C ATOM 1784 O GLY A 116 -4.553 28.795 -29.936 1.00 51.43 O ATOM 0 H GLY A 116 -4.237 25.325 -28.950 1.00 21.22 H new ATOM 0 HA2 GLY A 116 -2.699 27.149 -30.464 1.00 23.33 H new ATOM 0 HA3 GLY A 116 -3.890 26.408 -31.514 1.00 23.33 H new ATOM 1788 N GLY A 117 -5.831 27.007 -29.460 1.00 74.20 N ATOM 1789 CA GLY A 117 -6.910 27.812 -28.919 1.00 13.13 C ATOM 1790 C GLY A 117 -7.397 28.862 -29.898 1.00 45.45 C ATOM 1791 O GLY A 117 -6.948 28.908 -31.043 1.00 42.55 O ATOM 0 H GLY A 117 -5.998 26.001 -29.444 1.00 74.20 H new ATOM 0 HA2 GLY A 117 -7.741 27.163 -28.644 1.00 13.13 H new ATOM 0 HA3 GLY A 117 -6.572 28.301 -28.005 1.00 13.13 H new ATOM 1795 N GLU A 118 -8.319 29.708 -29.446 1.00 33.43 N ATOM 1796 CA GLU A 118 -8.868 30.760 -30.293 1.00 3.51 C ATOM 1797 C GLU A 118 -9.661 31.767 -29.463 1.00 73.05 C ATOM 1798 O GLU A 118 -10.369 31.397 -28.526 1.00 74.41 O ATOM 1799 CB GLU A 118 -9.765 30.158 -31.377 1.00 42.24 C ATOM 1800 CG GLU A 118 -10.892 29.302 -30.828 1.00 23.04 C ATOM 1801 CD GLU A 118 -11.136 28.056 -31.657 1.00 70.32 C ATOM 1802 OE1 GLU A 118 -11.351 28.191 -32.880 1.00 64.14 O ATOM 1803 OE2 GLU A 118 -11.112 26.947 -31.084 1.00 23.11 O ATOM 0 H GLU A 118 -8.700 29.685 -28.500 1.00 33.43 H new ATOM 0 HA GLU A 118 -8.036 31.280 -30.768 1.00 3.51 H new ATOM 0 HB2 GLU A 118 -10.191 30.965 -31.974 1.00 42.24 H new ATOM 0 HB3 GLU A 118 -9.154 29.553 -32.048 1.00 42.24 H new ATOM 0 HG2 GLU A 118 -10.657 29.012 -29.804 1.00 23.04 H new ATOM 0 HG3 GLU A 118 -11.807 29.893 -30.790 1.00 23.04 H new ATOM 1810 N LYS A 119 -9.535 33.043 -29.813 1.00 75.42 N ATOM 1811 CA LYS A 119 -10.239 34.104 -29.104 1.00 50.04 C ATOM 1812 C LYS A 119 -10.772 35.149 -30.079 1.00 5.22 C ATOM 1813 O LYS A 119 -10.003 35.849 -30.737 1.00 60.31 O ATOM 1814 CB LYS A 119 -9.309 34.768 -28.085 1.00 15.40 C ATOM 1815 CG LYS A 119 -8.005 35.266 -28.686 1.00 12.45 C ATOM 1816 CD LYS A 119 -6.803 34.603 -28.036 1.00 13.31 C ATOM 1817 CE LYS A 119 -6.266 35.435 -26.881 1.00 62.42 C ATOM 1818 NZ LYS A 119 -4.817 35.184 -26.645 1.00 13.32 N ATOM 0 H LYS A 119 -8.951 33.367 -30.584 1.00 75.42 H new ATOM 0 HA LYS A 119 -11.084 33.658 -28.579 1.00 50.04 H new ATOM 0 HB2 LYS A 119 -9.830 35.606 -27.623 1.00 15.40 H new ATOM 0 HB3 LYS A 119 -9.085 34.055 -27.292 1.00 15.40 H new ATOM 0 HG2 LYS A 119 -7.997 35.066 -29.757 1.00 12.45 H new ATOM 0 HG3 LYS A 119 -7.936 36.347 -28.563 1.00 12.45 H new ATOM 0 HD2 LYS A 119 -7.083 33.614 -27.674 1.00 13.31 H new ATOM 0 HD3 LYS A 119 -6.018 34.460 -28.779 1.00 13.31 H new ATOM 0 HE2 LYS A 119 -6.422 36.493 -27.092 1.00 62.42 H new ATOM 0 HE3 LYS A 119 -6.827 35.204 -25.975 1.00 62.42 H new ATOM 0 HZ1 LYS A 119 -4.488 35.769 -25.851 1.00 13.32 H new ATOM 0 HZ2 LYS A 119 -4.671 34.179 -26.419 1.00 13.32 H new ATOM 0 HZ3 LYS A 119 -4.279 35.428 -27.501 1.00 13.32 H new ATOM 1832 N LYS A 120 -12.094 35.251 -30.165 1.00 4.23 N ATOM 1833 CA LYS A 120 -12.732 36.212 -31.056 1.00 12.34 C ATOM 1834 C LYS A 120 -13.923 36.879 -30.375 1.00 43.30 C ATOM 1835 O LYS A 120 -14.843 36.206 -29.910 1.00 34.00 O ATOM 1836 CB LYS A 120 -13.188 35.520 -32.343 1.00 0.40 C ATOM 1837 CG LYS A 120 -12.908 36.326 -33.599 1.00 53.31 C ATOM 1838 CD LYS A 120 -14.160 37.023 -34.107 1.00 45.42 C ATOM 1839 CE LYS A 120 -13.856 37.918 -35.297 1.00 53.23 C ATOM 1840 NZ LYS A 120 -14.973 38.861 -35.582 1.00 23.32 N ATOM 0 H LYS A 120 -12.745 34.679 -29.627 1.00 4.23 H new ATOM 0 HA LYS A 120 -12.001 36.981 -31.304 1.00 12.34 H new ATOM 0 HB2 LYS A 120 -12.689 34.554 -32.423 1.00 0.40 H new ATOM 0 HB3 LYS A 120 -14.258 35.322 -32.280 1.00 0.40 H new ATOM 0 HG2 LYS A 120 -12.137 37.068 -33.392 1.00 53.31 H new ATOM 0 HG3 LYS A 120 -12.517 35.668 -34.375 1.00 53.31 H new ATOM 0 HD2 LYS A 120 -14.902 36.277 -34.392 1.00 45.42 H new ATOM 0 HD3 LYS A 120 -14.597 37.618 -33.305 1.00 45.42 H new ATOM 0 HE2 LYS A 120 -12.944 38.483 -35.103 1.00 53.23 H new ATOM 0 HE3 LYS A 120 -13.668 37.302 -36.176 1.00 53.23 H new ATOM 0 HZ1 LYS A 120 -14.727 39.454 -36.400 1.00 23.32 H new ATOM 0 HZ2 LYS A 120 -15.837 38.322 -35.792 1.00 23.32 H new ATOM 0 HZ3 LYS A 120 -15.136 39.467 -34.752 1.00 23.32 H new ATOM 1854 N LYS A 121 -13.899 38.207 -30.320 1.00 65.40 N ATOM 1855 CA LYS A 121 -14.978 38.966 -29.698 1.00 42.55 C ATOM 1856 C LYS A 121 -16.033 39.355 -30.728 1.00 52.21 C ATOM 1857 O LYS A 121 -15.964 38.946 -31.886 1.00 53.42 O ATOM 1858 CB LYS A 121 -14.422 40.222 -29.023 1.00 73.20 C ATOM 1859 CG LYS A 121 -14.921 40.421 -27.602 1.00 24.41 C ATOM 1860 CD LYS A 121 -14.812 41.873 -27.170 1.00 14.20 C ATOM 1861 CE LYS A 121 -15.682 42.161 -25.956 1.00 74.11 C ATOM 1862 NZ LYS A 121 -16.749 43.154 -26.262 1.00 41.52 N ATOM 0 H LYS A 121 -13.144 38.779 -30.699 1.00 65.40 H new ATOM 0 HA LYS A 121 -15.447 38.333 -28.945 1.00 42.55 H new ATOM 0 HB2 LYS A 121 -13.333 40.167 -29.012 1.00 73.20 H new ATOM 0 HB3 LYS A 121 -14.691 41.094 -29.619 1.00 73.20 H new ATOM 0 HG2 LYS A 121 -15.959 40.097 -27.531 1.00 24.41 H new ATOM 0 HG3 LYS A 121 -14.344 39.794 -26.922 1.00 24.41 H new ATOM 0 HD2 LYS A 121 -13.773 42.108 -26.938 1.00 14.20 H new ATOM 0 HD3 LYS A 121 -15.109 42.522 -27.994 1.00 14.20 H new ATOM 0 HE2 LYS A 121 -16.137 41.234 -25.607 1.00 74.11 H new ATOM 0 HE3 LYS A 121 -15.059 42.535 -25.143 1.00 74.11 H new ATOM 0 HZ1 LYS A 121 -17.320 43.323 -25.410 1.00 41.52 H new ATOM 0 HZ2 LYS A 121 -16.314 44.047 -26.570 1.00 41.52 H new ATOM 0 HZ3 LYS A 121 -17.359 42.786 -27.020 1.00 41.52 H new ATOM 1876 N GLY A 122 -17.010 40.148 -30.298 1.00 5.20 N ATOM 1877 CA GLY A 122 -18.065 40.580 -31.196 1.00 35.22 C ATOM 1878 C GLY A 122 -18.587 41.961 -30.855 1.00 14.14 C ATOM 1879 O GLY A 122 -19.582 42.099 -30.143 1.00 32.13 O ATOM 0 H GLY A 122 -17.090 40.499 -29.344 1.00 5.20 H new ATOM 0 HA2 GLY A 122 -17.690 40.579 -32.219 1.00 35.22 H new ATOM 0 HA3 GLY A 122 -18.886 39.865 -31.157 1.00 35.22 H new ATOM 1883 N LYS A 123 -17.914 42.988 -31.363 1.00 12.32 N ATOM 1884 CA LYS A 123 -18.316 44.367 -31.109 1.00 64.03 C ATOM 1885 C LYS A 123 -19.257 44.870 -32.198 1.00 21.01 C ATOM 1886 O LYS A 123 -18.941 44.801 -33.385 1.00 72.21 O ATOM 1887 CB LYS A 123 -17.083 45.271 -31.027 1.00 12.12 C ATOM 1888 CG LYS A 123 -16.287 45.100 -29.745 1.00 43.50 C ATOM 1889 CD LYS A 123 -15.038 45.965 -29.745 1.00 2.21 C ATOM 1890 CE LYS A 123 -14.500 46.168 -28.337 1.00 4.32 C ATOM 1891 NZ LYS A 123 -14.110 47.584 -28.090 1.00 13.41 N ATOM 0 H LYS A 123 -17.088 42.892 -31.953 1.00 12.32 H new ATOM 0 HA LYS A 123 -18.845 44.396 -30.156 1.00 64.03 H new ATOM 0 HB2 LYS A 123 -16.434 45.064 -31.878 1.00 12.12 H new ATOM 0 HB3 LYS A 123 -17.399 46.311 -31.113 1.00 12.12 H new ATOM 0 HG2 LYS A 123 -16.911 45.361 -28.890 1.00 43.50 H new ATOM 0 HG3 LYS A 123 -16.006 44.053 -29.627 1.00 43.50 H new ATOM 0 HD2 LYS A 123 -14.272 45.499 -30.365 1.00 2.21 H new ATOM 0 HD3 LYS A 123 -15.265 46.933 -30.192 1.00 2.21 H new ATOM 0 HE2 LYS A 123 -15.257 45.868 -27.612 1.00 4.32 H new ATOM 0 HE3 LYS A 123 -13.636 45.521 -28.182 1.00 4.32 H new ATOM 0 HZ1 LYS A 123 -13.749 47.680 -27.120 1.00 13.41 H new ATOM 0 HZ2 LYS A 123 -13.369 47.863 -28.765 1.00 13.41 H new ATOM 0 HZ3 LYS A 123 -14.940 48.199 -28.213 1.00 13.41 H new ATOM 1905 N GLY A 124 -20.414 45.378 -31.786 1.00 21.35 N ATOM 1906 CA GLY A 124 -21.383 45.887 -32.741 1.00 65.42 C ATOM 1907 C GLY A 124 -22.031 47.176 -32.277 1.00 53.31 C ATOM 1908 O GLY A 124 -22.008 47.501 -31.090 1.00 60.32 O ATOM 0 H GLY A 124 -20.698 45.447 -30.809 1.00 21.35 H new ATOM 0 HA2 GLY A 124 -20.891 46.056 -33.699 1.00 65.42 H new ATOM 0 HA3 GLY A 124 -22.155 45.135 -32.907 1.00 65.42 H new ATOM 1912 N LYS A 125 -22.610 47.916 -33.216 1.00 35.23 N ATOM 1913 CA LYS A 125 -23.267 49.178 -32.900 1.00 14.44 C ATOM 1914 C LYS A 125 -24.769 49.088 -33.153 1.00 1.33 C ATOM 1915 O LYS A 125 -25.202 48.675 -34.228 1.00 70.31 O ATOM 1916 CB LYS A 125 -22.666 50.313 -33.733 1.00 23.14 C ATOM 1917 CG LYS A 125 -21.345 50.831 -33.191 1.00 32.30 C ATOM 1918 CD LYS A 125 -21.037 52.224 -33.713 1.00 12.40 C ATOM 1919 CE LYS A 125 -19.572 52.364 -34.098 1.00 44.22 C ATOM 1920 NZ LYS A 125 -19.362 52.179 -35.560 1.00 14.45 N ATOM 0 H LYS A 125 -22.637 47.663 -34.204 1.00 35.23 H new ATOM 0 HA LYS A 125 -23.106 49.387 -31.842 1.00 14.44 H new ATOM 0 HB2 LYS A 125 -22.518 49.964 -34.755 1.00 23.14 H new ATOM 0 HB3 LYS A 125 -23.379 51.136 -33.778 1.00 23.14 H new ATOM 0 HG2 LYS A 125 -21.379 50.849 -32.102 1.00 32.30 H new ATOM 0 HG3 LYS A 125 -20.542 50.150 -33.473 1.00 32.30 H new ATOM 0 HD2 LYS A 125 -21.664 52.436 -34.579 1.00 12.40 H new ATOM 0 HD3 LYS A 125 -21.286 52.963 -32.951 1.00 12.40 H new ATOM 0 HE2 LYS A 125 -19.211 53.349 -33.801 1.00 44.22 H new ATOM 0 HE3 LYS A 125 -18.981 51.630 -33.551 1.00 44.22 H new ATOM 0 HZ1 LYS A 125 -18.351 52.282 -35.781 1.00 14.45 H new ATOM 0 HZ2 LYS A 125 -19.683 51.230 -35.839 1.00 14.45 H new ATOM 0 HZ3 LYS A 125 -19.905 52.896 -36.082 1.00 14.45 H new ATOM 1934 N GLU A 126 -25.557 49.480 -32.156 1.00 32.51 N ATOM 1935 CA GLU A 126 -27.011 49.442 -32.274 1.00 41.44 C ATOM 1936 C GLU A 126 -27.510 50.556 -33.189 1.00 22.02 C ATOM 1937 O GLU A 126 -28.544 50.419 -33.843 1.00 11.13 O ATOM 1938 CB GLU A 126 -27.658 49.573 -30.894 1.00 1.42 C ATOM 1939 CG GLU A 126 -29.171 49.434 -30.916 1.00 64.22 C ATOM 1940 CD GLU A 126 -29.699 48.607 -29.759 1.00 54.55 C ATOM 1941 OE1 GLU A 126 -29.596 49.072 -28.604 1.00 14.22 O ATOM 1942 OE2 GLU A 126 -30.213 47.498 -30.007 1.00 73.40 O ATOM 0 H GLU A 126 -25.214 49.827 -31.260 1.00 32.51 H new ATOM 0 HA GLU A 126 -27.292 48.483 -32.710 1.00 41.44 H new ATOM 0 HB2 GLU A 126 -27.241 48.813 -30.233 1.00 1.42 H new ATOM 0 HB3 GLU A 126 -27.397 50.543 -30.470 1.00 1.42 H new ATOM 0 HG2 GLU A 126 -29.623 50.425 -30.885 1.00 64.22 H new ATOM 0 HG3 GLU A 126 -29.476 48.973 -31.856 1.00 64.22 H new ATOM 1949 N ASN A 127 -26.770 51.659 -33.230 1.00 71.24 N ATOM 1950 CA ASN A 127 -27.138 52.796 -34.065 1.00 12.20 C ATOM 1951 C ASN A 127 -25.905 53.605 -34.458 1.00 31.11 C ATOM 1952 O ASN A 127 -26.016 54.743 -34.912 1.00 11.12 O ATOM 1953 CB ASN A 127 -28.137 53.693 -33.330 1.00 61.34 C ATOM 1954 CG ASN A 127 -27.545 54.313 -32.079 1.00 41.15 C ATOM 1955 OD1 ASN A 127 -26.502 53.877 -31.590 1.00 75.32 O ATOM 1956 ND2 ASN A 127 -28.209 55.336 -31.554 1.00 71.04 N ATOM 1957 OXT ASN A 127 -24.787 53.113 -34.319 1.00 0.00 O ATOM 0 H ASN A 127 -25.912 51.789 -32.695 1.00 71.24 H new ATOM 0 HA ASN A 127 -27.603 52.412 -34.973 1.00 12.20 H new ATOM 0 HB2 ASN A 127 -28.473 54.484 -34.001 1.00 61.34 H new ATOM 0 HB3 ASN A 127 -29.017 53.108 -33.061 1.00 61.34 H new ATOM 0 HD21 ASN A 127 -27.859 55.793 -30.712 1.00 71.04 H new ATOM 0 HD22 ASN A 127 -29.069 55.664 -31.992 1.00 71.04 H new TER 1964 ASN A 127