USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -141:sc= -7.49! (180deg=-8.17!) USER MOD Set 1.2: I 8 MET CE :methyl 154:sc= -10.1! (180deg=-8.92!) USER MOD Single : C 5 TYR OH : rot 31:sc= -0.599! USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : C 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.0378 X(o=0.038,f=-0.085) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -1:sc= -0.207 USER MOD Single : C 37 SER OG : rot 180:sc= -0.822 USER MOD Single : C 38 THR OG1 : rot -68:sc= 0.263 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -141:sc= -11.6! (180deg=-13.4!) USER MOD Single : C 47 MET CE :methyl 154:sc= -8.22! (180deg=-9.35!) USER MOD Single : C 50 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.696 K(o=-0.7,f=-1.2) USER MOD Single : C 53 THR OG1 : rot -150:sc= -2.7! USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 MET CE :methyl 154:sc= -2.32 (180deg=-2.62) USER MOD Single : C 69 SER OG : rot -110:sc= 1.28 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -150:sc= -0.326 (180deg=-1.25) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 51:sc= -0.0759 USER MOD Single : C 85 MET CE :methyl -175:sc= -0.0357 (180deg=-0.0741) USER MOD Single : I 3 SER OG : rot -32:sc= 0.0753 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.330 -10.525 14.095 1.00 0.00 N ATOM 45 CA ILE C 4 54.188 -9.864 13.400 1.00 0.00 C ATOM 46 C ILE C 4 54.497 -9.705 11.907 1.00 0.00 C ATOM 47 O ILE C 4 53.632 -9.847 11.066 1.00 0.00 O ATOM 48 CB ILE C 4 54.054 -8.498 14.078 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.681 -7.902 13.757 1.00 0.00 C ATOM 50 CG2 ILE C 4 55.148 -7.557 13.570 1.00 0.00 C ATOM 51 CD1 ILE C 4 52.310 -6.873 14.826 1.00 0.00 C ATOM 0 HA ILE C 4 53.267 -10.443 13.468 1.00 0.00 H new ATOM 0 HB ILE C 4 54.157 -8.621 15.156 1.00 0.00 H new ATOM 0 HG12 ILE C 4 52.698 -7.431 12.774 1.00 0.00 H new ATOM 0 HG13 ILE C 4 51.930 -8.691 13.720 1.00 0.00 H new ATOM 0 HG21 ILE C 4 55.048 -6.586 14.056 1.00 0.00 H new ATOM 0 HG22 ILE C 4 56.126 -7.979 13.800 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.051 -7.434 12.491 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.332 -6.448 14.598 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.277 -7.358 15.802 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.056 -6.079 14.841 1.00 0.00 H new ATOM 63 N TYR C 5 55.723 -9.409 11.574 1.00 0.00 N ATOM 64 CA TYR C 5 56.085 -9.241 10.138 1.00 0.00 C ATOM 65 C TYR C 5 56.300 -10.608 9.482 1.00 0.00 C ATOM 66 O TYR C 5 55.631 -10.962 8.531 1.00 0.00 O ATOM 67 CB TYR C 5 57.385 -8.437 10.150 1.00 0.00 C ATOM 68 CG TYR C 5 57.202 -7.203 11.001 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.129 -6.339 10.756 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.102 -6.926 12.038 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.955 -5.196 11.547 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.928 -5.785 12.829 1.00 0.00 C ATOM 73 CZ TYR C 5 56.855 -4.919 12.584 1.00 0.00 C ATOM 74 OH TYR C 5 56.682 -3.794 13.365 1.00 0.00 O ATOM 0 H TYR C 5 56.490 -9.276 12.234 1.00 0.00 H new ATOM 0 HA TYR C 5 55.302 -8.739 9.570 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.199 -9.046 10.543 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.660 -8.154 9.134 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.435 -6.553 9.957 1.00 0.00 H new ATOM 0 HD2 TYR C 5 58.930 -7.593 12.227 1.00 0.00 H new ATOM 0 HE1 TYR C 5 55.127 -4.529 11.357 1.00 0.00 H new ATOM 0 HE2 TYR C 5 58.622 -5.572 13.629 1.00 0.00 H new ATOM 0 HH TYR C 5 55.727 -3.586 13.432 1.00 0.00 H new ATOM 84 N LYS C 6 57.226 -11.379 9.982 1.00 0.00 N ATOM 85 CA LYS C 6 57.478 -12.722 9.385 1.00 0.00 C ATOM 86 C LYS C 6 56.151 -13.419 9.074 1.00 0.00 C ATOM 87 O LYS C 6 56.049 -14.198 8.148 1.00 0.00 O ATOM 88 CB LYS C 6 58.254 -13.494 10.454 1.00 0.00 C ATOM 89 CG LYS C 6 59.574 -12.778 10.744 1.00 0.00 C ATOM 90 CD LYS C 6 60.547 -13.749 11.417 1.00 0.00 C ATOM 91 CE LYS C 6 61.519 -12.968 12.302 1.00 0.00 C ATOM 92 NZ LYS C 6 62.247 -14.006 13.083 1.00 0.00 N ATOM 0 H LYS C 6 57.818 -11.138 10.777 1.00 0.00 H new ATOM 0 HA LYS C 6 58.031 -12.660 8.448 1.00 0.00 H new ATOM 0 HB2 LYS C 6 57.661 -13.569 11.366 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.447 -14.512 10.114 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.005 -12.399 9.817 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.399 -11.917 11.389 1.00 0.00 H new ATOM 0 HD2 LYS C 6 59.997 -14.475 12.016 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.097 -14.310 10.662 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.206 -12.371 11.702 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.988 -12.279 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.934 -13.547 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.568 -14.554 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.748 -14.643 12.431 1.00 0.00 H new ATOM 106 N ALA C 7 55.133 -13.144 9.843 1.00 0.00 N ATOM 107 CA ALA C 7 53.811 -13.787 9.590 1.00 0.00 C ATOM 108 C ALA C 7 53.079 -13.061 8.460 1.00 0.00 C ATOM 109 O ALA C 7 52.518 -13.675 7.574 1.00 0.00 O ATOM 110 CB ALA C 7 53.046 -13.644 10.905 1.00 0.00 C ATOM 0 H ALA C 7 55.159 -12.502 10.635 1.00 0.00 H new ATOM 0 HA ALA C 7 53.908 -14.829 9.286 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.059 -14.094 10.802 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.594 -14.148 11.701 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.940 -12.587 11.151 1.00 0.00 H new ATOM 116 N ALA C 8 53.080 -11.756 8.483 1.00 0.00 N ATOM 117 CA ALA C 8 52.385 -10.988 7.410 1.00 0.00 C ATOM 118 C ALA C 8 53.060 -11.240 6.059 1.00 0.00 C ATOM 119 O ALA C 8 52.405 -11.434 5.054 1.00 0.00 O ATOM 120 CB ALA C 8 52.527 -9.521 7.817 1.00 0.00 C ATOM 0 H ALA C 8 53.532 -11.188 9.199 1.00 0.00 H new ATOM 0 HA ALA C 8 51.341 -11.280 7.302 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.039 -8.889 7.075 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.059 -9.366 8.789 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.584 -9.261 7.877 1.00 0.00 H new ATOM 126 N VAL C 9 54.365 -11.240 6.029 1.00 0.00 N ATOM 127 CA VAL C 9 55.078 -11.482 4.741 1.00 0.00 C ATOM 128 C VAL C 9 54.573 -12.776 4.099 1.00 0.00 C ATOM 129 O VAL C 9 54.133 -12.790 2.967 1.00 0.00 O ATOM 130 CB VAL C 9 56.553 -11.620 5.119 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.400 -11.706 3.849 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.986 -10.402 5.940 1.00 0.00 C ATOM 0 H VAL C 9 54.967 -11.084 6.837 1.00 0.00 H new ATOM 0 HA VAL C 9 54.915 -10.678 4.023 1.00 0.00 H new ATOM 0 HB VAL C 9 56.693 -12.525 5.710 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.451 -11.804 4.119 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.093 -12.573 3.265 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.261 -10.802 3.257 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.038 -10.500 6.210 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.846 -9.497 5.349 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.383 -10.341 6.846 1.00 0.00 H new ATOM 142 N GLU C 10 54.635 -13.862 4.818 1.00 0.00 N ATOM 143 CA GLU C 10 54.159 -15.159 4.256 1.00 0.00 C ATOM 144 C GLU C 10 52.701 -15.039 3.805 1.00 0.00 C ATOM 145 O GLU C 10 52.226 -15.811 2.996 1.00 0.00 O ATOM 146 CB GLU C 10 54.286 -16.155 5.408 1.00 0.00 C ATOM 147 CG GLU C 10 55.765 -16.415 5.699 1.00 0.00 C ATOM 148 CD GLU C 10 56.253 -17.594 4.854 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.689 -18.667 4.990 1.00 0.00 O ATOM 150 OE2 GLU C 10 57.182 -17.404 4.088 1.00 0.00 O ATOM 0 H GLU C 10 54.995 -13.908 5.771 1.00 0.00 H new ATOM 0 HA GLU C 10 54.734 -15.468 3.383 1.00 0.00 H new ATOM 0 HB2 GLU C 10 53.793 -15.763 6.298 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.785 -17.089 5.152 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.353 -15.525 5.474 1.00 0.00 H new ATOM 0 HG3 GLU C 10 55.906 -16.630 6.758 1.00 0.00 H new ATOM 157 N GLN C 11 51.987 -14.075 4.321 1.00 0.00 N ATOM 158 CA GLN C 11 50.560 -13.905 3.921 1.00 0.00 C ATOM 159 C GLN C 11 50.472 -13.194 2.567 1.00 0.00 C ATOM 160 O GLN C 11 49.434 -13.168 1.936 1.00 0.00 O ATOM 161 CB GLN C 11 49.941 -13.041 5.020 1.00 0.00 C ATOM 162 CG GLN C 11 48.970 -13.883 5.850 1.00 0.00 C ATOM 163 CD GLN C 11 48.643 -13.149 7.151 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.429 -11.953 7.150 1.00 0.00 O ATOM 165 NE2 GLN C 11 48.596 -13.819 8.270 1.00 0.00 N ATOM 0 H GLN C 11 52.330 -13.398 5.002 1.00 0.00 H new ATOM 0 HA GLN C 11 50.045 -14.859 3.814 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.724 -12.634 5.660 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.417 -12.193 4.578 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.057 -14.067 5.284 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.411 -14.855 6.069 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.776 -14.823 8.271 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.380 -13.339 9.143 1.00 0.00 H new ATOM 174 N LEU C 12 51.553 -12.619 2.117 1.00 0.00 N ATOM 175 CA LEU C 12 51.530 -11.910 0.806 1.00 0.00 C ATOM 176 C LEU C 12 51.200 -12.892 -0.323 1.00 0.00 C ATOM 177 O LEU C 12 51.561 -14.052 -0.278 1.00 0.00 O ATOM 178 CB LEU C 12 52.943 -11.350 0.634 1.00 0.00 C ATOM 179 CG LEU C 12 53.223 -10.321 1.731 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.728 -10.058 1.811 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.495 -9.015 1.403 1.00 0.00 C ATOM 0 H LEU C 12 52.451 -12.609 2.600 1.00 0.00 H new ATOM 0 HA LEU C 12 50.774 -11.126 0.774 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.674 -12.157 0.683 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.045 -10.887 -0.348 1.00 0.00 H new ATOM 0 HG LEU C 12 52.869 -10.705 2.688 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.928 -9.325 2.592 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.248 -10.987 2.044 1.00 0.00 H new ATOM 0 HD13 LEU C 12 55.082 -9.674 0.854 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.694 -8.281 2.184 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.849 -8.631 0.446 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.423 -9.201 1.345 1.00 0.00 H new ATOM 193 N THR C 13 50.514 -12.436 -1.336 1.00 0.00 N ATOM 194 CA THR C 13 50.161 -13.340 -2.468 1.00 0.00 C ATOM 195 C THR C 13 50.952 -12.953 -3.721 1.00 0.00 C ATOM 196 O THR C 13 51.451 -11.851 -3.834 1.00 0.00 O ATOM 197 CB THR C 13 48.663 -13.129 -2.690 1.00 0.00 C ATOM 198 OG1 THR C 13 48.351 -11.752 -2.527 1.00 0.00 O ATOM 199 CG2 THR C 13 47.873 -13.957 -1.675 1.00 0.00 C ATOM 0 H THR C 13 50.183 -11.476 -1.429 1.00 0.00 H new ATOM 0 HA THR C 13 50.398 -14.382 -2.255 1.00 0.00 H new ATOM 0 HB THR C 13 48.397 -13.445 -3.699 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.391 -11.615 -2.671 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.805 -13.806 -1.834 1.00 0.00 H new ATOM 0 HG22 THR C 13 48.113 -15.013 -1.801 1.00 0.00 H new ATOM 0 HG23 THR C 13 48.137 -13.643 -0.665 1.00 0.00 H new ATOM 207 N GLU C 14 51.071 -13.850 -4.660 1.00 0.00 N ATOM 208 CA GLU C 14 51.832 -13.531 -5.903 1.00 0.00 C ATOM 209 C GLU C 14 51.296 -12.245 -6.539 1.00 0.00 C ATOM 210 O GLU C 14 52.047 -11.428 -7.035 1.00 0.00 O ATOM 211 CB GLU C 14 51.593 -14.725 -6.829 1.00 0.00 C ATOM 212 CG GLU C 14 52.153 -14.413 -8.218 1.00 0.00 C ATOM 213 CD GLU C 14 52.248 -15.703 -9.032 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.462 -16.745 -8.434 1.00 0.00 O ATOM 215 OE2 GLU C 14 52.104 -15.629 -10.242 1.00 0.00 O ATOM 0 H GLU C 14 50.675 -14.789 -4.622 1.00 0.00 H new ATOM 0 HA GLU C 14 52.892 -13.370 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU C 14 52.073 -15.615 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.526 -14.940 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.510 -13.695 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU C 14 53.137 -13.953 -8.130 1.00 0.00 H new ATOM 222 N GLU C 15 50.005 -12.059 -6.528 1.00 0.00 N ATOM 223 CA GLU C 15 49.424 -10.826 -7.134 1.00 0.00 C ATOM 224 C GLU C 15 49.859 -9.590 -6.343 1.00 0.00 C ATOM 225 O GLU C 15 50.592 -8.753 -6.833 1.00 0.00 O ATOM 226 CB GLU C 15 47.910 -11.017 -7.042 1.00 0.00 C ATOM 227 CG GLU C 15 47.372 -11.498 -8.391 1.00 0.00 C ATOM 228 CD GLU C 15 46.978 -10.291 -9.243 1.00 0.00 C ATOM 229 OE1 GLU C 15 47.871 -9.617 -9.730 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.789 -10.058 -9.392 1.00 0.00 O ATOM 0 H GLU C 15 49.327 -12.706 -6.126 1.00 0.00 H new ATOM 0 HA GLU C 15 49.755 -10.676 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.671 -11.742 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU C 15 47.431 -10.079 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU C 15 48.129 -12.089 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.509 -12.147 -8.240 1.00 0.00 H new ATOM 237 N GLN C 16 49.413 -9.465 -5.123 1.00 0.00 N ATOM 238 CA GLN C 16 49.801 -8.282 -4.303 1.00 0.00 C ATOM 239 C GLN C 16 51.302 -8.016 -4.439 1.00 0.00 C ATOM 240 O GLN C 16 51.729 -6.894 -4.626 1.00 0.00 O ATOM 241 CB GLN C 16 49.453 -8.667 -2.864 1.00 0.00 C ATOM 242 CG GLN C 16 50.076 -7.657 -1.896 1.00 0.00 C ATOM 243 CD GLN C 16 48.988 -7.095 -0.978 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.190 -6.278 -1.392 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.924 -7.499 0.261 1.00 0.00 N ATOM 0 H GLN C 16 48.796 -10.131 -4.658 1.00 0.00 H new ATOM 0 HA GLN C 16 49.287 -7.374 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.371 -8.690 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.821 -9.669 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.855 -8.137 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.551 -6.849 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.594 -8.185 0.609 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.204 -7.129 0.882 1.00 0.00 H new ATOM 254 N LYS C 17 52.105 -9.041 -4.348 1.00 0.00 N ATOM 255 CA LYS C 17 53.578 -8.847 -4.473 1.00 0.00 C ATOM 256 C LYS C 17 53.903 -8.068 -5.751 1.00 0.00 C ATOM 257 O LYS C 17 54.832 -7.287 -5.795 1.00 0.00 O ATOM 258 CB LYS C 17 54.157 -10.261 -4.544 1.00 0.00 C ATOM 259 CG LYS C 17 54.389 -10.790 -3.127 1.00 0.00 C ATOM 260 CD LYS C 17 54.357 -12.320 -3.140 1.00 0.00 C ATOM 261 CE LYS C 17 55.501 -12.863 -2.282 1.00 0.00 C ATOM 262 NZ LYS C 17 56.324 -13.682 -3.217 1.00 0.00 N ATOM 0 H LYS C 17 51.805 -10.004 -4.193 1.00 0.00 H new ATOM 0 HA LYS C 17 53.993 -8.277 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.474 -10.918 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.095 -10.254 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.350 -10.439 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.622 -10.406 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.401 -12.677 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.449 -12.687 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.086 -12.054 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.124 -13.466 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.131 -14.090 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.742 -14.448 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.674 -13.080 -3.989 1.00 0.00 H new ATOM 276 N ASN C 18 53.140 -8.272 -6.791 1.00 0.00 N ATOM 277 CA ASN C 18 53.403 -7.540 -8.063 1.00 0.00 C ATOM 278 C ASN C 18 52.984 -6.074 -7.922 1.00 0.00 C ATOM 279 O ASN C 18 53.288 -5.247 -8.758 1.00 0.00 O ATOM 280 CB ASN C 18 52.544 -8.246 -9.113 1.00 0.00 C ATOM 281 CG ASN C 18 53.377 -9.321 -9.815 1.00 0.00 C ATOM 282 OD1 ASN C 18 54.385 -9.021 -10.425 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.997 -10.567 -9.758 1.00 0.00 N ATOM 0 H ASN C 18 52.347 -8.913 -6.815 1.00 0.00 H new ATOM 0 HA ASN C 18 54.459 -7.545 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.672 -8.698 -8.641 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.174 -7.524 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN C 18 53.545 -11.289 -10.225 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.151 -10.819 -9.246 1.00 0.00 H new ATOM 290 N GLU C 19 52.291 -5.749 -6.866 1.00 0.00 N ATOM 291 CA GLU C 19 51.853 -4.338 -6.665 1.00 0.00 C ATOM 292 C GLU C 19 52.957 -3.539 -5.967 1.00 0.00 C ATOM 293 O GLU C 19 53.273 -2.431 -6.350 1.00 0.00 O ATOM 294 CB GLU C 19 50.613 -4.433 -5.774 1.00 0.00 C ATOM 295 CG GLU C 19 49.539 -5.264 -6.479 1.00 0.00 C ATOM 296 CD GLU C 19 48.176 -4.978 -5.847 1.00 0.00 C ATOM 297 OE1 GLU C 19 47.928 -5.484 -4.765 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.403 -4.257 -6.456 1.00 0.00 O ATOM 0 H GLU C 19 52.009 -6.399 -6.133 1.00 0.00 H new ATOM 0 HA GLU C 19 51.640 -3.831 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.873 -4.890 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.231 -3.435 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.517 -5.023 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.774 -6.325 -6.398 1.00 0.00 H new ATOM 305 N PHE C 20 53.548 -4.096 -4.944 1.00 0.00 N ATOM 306 CA PHE C 20 54.633 -3.370 -4.223 1.00 0.00 C ATOM 307 C PHE C 20 55.898 -3.320 -5.083 1.00 0.00 C ATOM 308 O PHE C 20 56.673 -2.387 -5.006 1.00 0.00 O ATOM 309 CB PHE C 20 54.878 -4.186 -2.953 1.00 0.00 C ATOM 310 CG PHE C 20 53.755 -3.943 -1.972 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.285 -2.642 -1.751 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.185 -5.019 -1.281 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.246 -2.418 -0.839 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.145 -4.796 -0.370 1.00 0.00 C ATOM 315 CZ PHE C 20 51.677 -3.495 -0.149 1.00 0.00 C ATOM 0 H PHE C 20 53.327 -5.021 -4.577 1.00 0.00 H new ATOM 0 HA PHE C 20 54.362 -2.338 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE C 20 54.939 -5.247 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE C 20 55.832 -3.906 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.724 -1.812 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.548 -6.022 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.884 -1.415 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE C 20 51.704 -5.627 0.161 1.00 0.00 H new ATOM 0 HZ PHE C 20 50.876 -3.322 0.555 1.00 0.00 H new ATOM 325 N LYS C 21 56.113 -4.312 -5.902 1.00 0.00 N ATOM 326 CA LYS C 21 57.330 -4.309 -6.765 1.00 0.00 C ATOM 327 C LYS C 21 57.428 -2.982 -7.521 1.00 0.00 C ATOM 328 O LYS C 21 58.504 -2.519 -7.848 1.00 0.00 O ATOM 329 CB LYS C 21 57.134 -5.475 -7.738 1.00 0.00 C ATOM 330 CG LYS C 21 56.123 -5.084 -8.818 1.00 0.00 C ATOM 331 CD LYS C 21 56.844 -4.350 -9.950 1.00 0.00 C ATOM 332 CE LYS C 21 56.843 -5.222 -11.207 1.00 0.00 C ATOM 333 NZ LYS C 21 57.293 -4.319 -12.302 1.00 0.00 N ATOM 0 H LYS C 21 55.502 -5.122 -6.012 1.00 0.00 H new ATOM 0 HA LYS C 21 58.249 -4.417 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.086 -5.741 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.783 -6.355 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.626 -5.974 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.348 -4.446 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS C 21 56.350 -3.400 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.868 -4.121 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS C 21 57.514 -6.074 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS C 21 55.850 -5.623 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 57.318 -4.846 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 56.632 -3.521 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.244 -3.958 -12.086 1.00 0.00 H new ATOM 347 N ALA C 22 56.312 -2.365 -7.798 1.00 0.00 N ATOM 348 CA ALA C 22 56.337 -1.067 -8.529 1.00 0.00 C ATOM 349 C ALA C 22 57.133 -0.032 -7.730 1.00 0.00 C ATOM 350 O ALA C 22 58.062 0.571 -8.230 1.00 0.00 O ATOM 351 CB ALA C 22 54.871 -0.649 -8.643 1.00 0.00 C ATOM 0 H ALA C 22 55.383 -2.704 -7.549 1.00 0.00 H new ATOM 0 HA ALA C 22 56.812 -1.149 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.804 0.302 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.317 -1.410 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.445 -0.541 -7.646 1.00 0.00 H new ATOM 357 N ALA C 23 56.781 0.174 -6.490 1.00 0.00 N ATOM 358 CA ALA C 23 57.525 1.165 -5.661 1.00 0.00 C ATOM 359 C ALA C 23 58.985 0.730 -5.516 1.00 0.00 C ATOM 360 O ALA C 23 59.896 1.456 -5.862 1.00 0.00 O ATOM 361 CB ALA C 23 56.827 1.157 -4.302 1.00 0.00 C ATOM 0 H ALA C 23 56.012 -0.300 -6.016 1.00 0.00 H new ATOM 0 HA ALA C 23 57.527 2.159 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.320 1.864 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.783 1.444 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA C 23 56.879 0.157 -3.872 1.00 0.00 H new ATOM 367 N PHE C 24 59.215 -0.452 -5.013 1.00 0.00 N ATOM 368 CA PHE C 24 60.617 -0.931 -4.856 1.00 0.00 C ATOM 369 C PHE C 24 61.411 -0.634 -6.130 1.00 0.00 C ATOM 370 O PHE C 24 62.524 -0.150 -6.082 1.00 0.00 O ATOM 371 CB PHE C 24 60.502 -2.440 -4.631 1.00 0.00 C ATOM 372 CG PHE C 24 61.861 -3.077 -4.798 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.757 -3.108 -3.723 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.224 -3.638 -6.027 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.017 -3.699 -3.878 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.483 -4.229 -6.183 1.00 0.00 C ATOM 377 CZ PHE C 24 64.380 -4.259 -5.108 1.00 0.00 C ATOM 0 H PHE C 24 58.495 -1.105 -4.705 1.00 0.00 H new ATOM 0 HA PHE C 24 61.135 -0.441 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.114 -2.641 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.796 -2.872 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.476 -2.676 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.532 -3.615 -6.856 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.708 -3.723 -3.049 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.763 -4.662 -7.132 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.352 -4.714 -5.228 1.00 0.00 H new ATOM 387 N ASP C 25 60.840 -0.916 -7.269 1.00 0.00 N ATOM 388 CA ASP C 25 61.555 -0.645 -8.549 1.00 0.00 C ATOM 389 C ASP C 25 62.003 0.818 -8.595 1.00 0.00 C ATOM 390 O ASP C 25 63.141 1.120 -8.896 1.00 0.00 O ATOM 391 CB ASP C 25 60.524 -0.925 -9.643 1.00 0.00 C ATOM 392 CG ASP C 25 61.054 -2.013 -10.579 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.996 -2.688 -10.198 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.507 -2.154 -11.661 1.00 0.00 O ATOM 0 H ASP C 25 59.910 -1.322 -7.369 1.00 0.00 H new ATOM 0 HA ASP C 25 62.449 -1.258 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.582 -1.242 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.319 -0.014 -10.206 1.00 0.00 H new ATOM 399 N ILE C 26 61.118 1.729 -8.291 1.00 0.00 N ATOM 400 CA ILE C 26 61.495 3.171 -8.311 1.00 0.00 C ATOM 401 C ILE C 26 62.495 3.458 -7.186 1.00 0.00 C ATOM 402 O ILE C 26 63.318 4.346 -7.284 1.00 0.00 O ATOM 403 CB ILE C 26 60.182 3.929 -8.081 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.409 4.020 -9.398 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.480 5.342 -7.574 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.346 2.921 -9.446 1.00 0.00 C ATOM 0 H ILE C 26 60.151 1.537 -8.030 1.00 0.00 H new ATOM 0 HA ILE C 26 61.970 3.469 -9.246 1.00 0.00 H new ATOM 0 HB ILE C 26 59.587 3.396 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.939 4.999 -9.488 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.093 3.916 -10.241 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.543 5.876 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.031 5.283 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.078 5.875 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.796 2.987 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE C 26 58.828 1.946 -9.376 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.656 3.046 -8.612 1.00 0.00 H new ATOM 418 N PHE C 27 62.428 2.708 -6.120 1.00 0.00 N ATOM 419 CA PHE C 27 63.371 2.932 -4.988 1.00 0.00 C ATOM 420 C PHE C 27 64.803 2.596 -5.416 1.00 0.00 C ATOM 421 O PHE C 27 65.758 2.985 -4.775 1.00 0.00 O ATOM 422 CB PHE C 27 62.902 1.975 -3.891 1.00 0.00 C ATOM 423 CG PHE C 27 62.190 2.755 -2.810 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.007 3.442 -3.107 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.712 2.788 -1.512 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.346 4.163 -2.106 1.00 0.00 C ATOM 427 CE2 PHE C 27 62.051 3.509 -0.509 1.00 0.00 C ATOM 428 CZ PHE C 27 60.867 4.197 -0.807 1.00 0.00 C ATOM 0 H PHE C 27 61.760 1.949 -5.984 1.00 0.00 H new ATOM 0 HA PHE C 27 63.376 3.969 -4.653 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.234 1.223 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.755 1.444 -3.469 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.604 3.416 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.625 2.258 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.434 4.693 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE C 27 62.453 3.535 0.493 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.357 4.753 -0.035 1.00 0.00 H new ATOM 438 N VAL C 28 64.959 1.877 -6.495 1.00 0.00 N ATOM 439 CA VAL C 28 66.329 1.517 -6.962 1.00 0.00 C ATOM 440 C VAL C 28 66.595 2.132 -8.339 1.00 0.00 C ATOM 441 O VAL C 28 67.420 1.655 -9.093 1.00 0.00 O ATOM 442 CB VAL C 28 66.325 -0.007 -7.055 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.015 -0.602 -5.680 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.255 -0.451 -8.055 1.00 0.00 C ATOM 0 H VAL C 28 64.197 1.523 -7.073 1.00 0.00 H new ATOM 0 HA VAL C 28 67.105 1.886 -6.291 1.00 0.00 H new ATOM 0 HB VAL C 28 67.303 -0.354 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.012 -1.690 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.775 -0.284 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.037 -0.256 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.250 -1.539 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.278 -0.104 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.474 -0.027 -9.035 1.00 0.00 H new ATOM 454 N LEU C 29 65.901 3.185 -8.672 1.00 0.00 N ATOM 455 CA LEU C 29 66.115 3.825 -10.002 1.00 0.00 C ATOM 456 C LEU C 29 67.525 4.414 -10.083 1.00 0.00 C ATOM 457 O LEU C 29 67.793 5.483 -9.571 1.00 0.00 O ATOM 458 CB LEU C 29 65.063 4.931 -10.082 1.00 0.00 C ATOM 459 CG LEU C 29 64.569 5.060 -11.524 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.341 5.971 -11.564 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.678 5.661 -12.390 1.00 0.00 C ATOM 0 H LEU C 29 65.197 3.630 -8.083 1.00 0.00 H new ATOM 0 HA LEU C 29 66.021 3.115 -10.824 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.228 4.703 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.488 5.877 -9.746 1.00 0.00 H new ATOM 0 HG LEU C 29 64.302 4.075 -11.906 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.989 6.063 -12.592 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.551 5.544 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.607 6.957 -11.182 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.327 5.753 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.945 6.646 -12.008 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.553 5.012 -12.362 1.00 0.00 H new ATOM 473 N GLY C 30 68.429 3.724 -10.721 1.00 0.00 N ATOM 474 CA GLY C 30 69.821 4.243 -10.835 1.00 0.00 C ATOM 475 C GLY C 30 70.798 3.204 -10.283 1.00 0.00 C ATOM 476 O GLY C 30 71.940 3.133 -10.694 1.00 0.00 O ATOM 0 H GLY C 30 68.264 2.822 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.055 4.461 -11.877 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.918 5.178 -10.284 1.00 0.00 H new ATOM 480 N ALA C 31 70.362 2.398 -9.355 1.00 0.00 N ATOM 481 CA ALA C 31 71.271 1.365 -8.779 1.00 0.00 C ATOM 482 C ALA C 31 71.720 0.391 -9.872 1.00 0.00 C ATOM 483 O ALA C 31 71.085 0.258 -10.899 1.00 0.00 O ATOM 484 CB ALA C 31 70.434 0.641 -7.724 1.00 0.00 C ATOM 0 H ALA C 31 69.417 2.409 -8.970 1.00 0.00 H new ATOM 0 HA ALA C 31 72.174 1.801 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.035 -0.137 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.106 1.354 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.563 0.189 -8.198 1.00 0.00 H new ATOM 490 N GLU C 32 72.812 -0.291 -9.657 1.00 0.00 N ATOM 491 CA GLU C 32 73.302 -1.256 -10.684 1.00 0.00 C ATOM 492 C GLU C 32 72.763 -2.658 -10.388 1.00 0.00 C ATOM 493 O GLU C 32 72.185 -3.304 -11.238 1.00 0.00 O ATOM 494 CB GLU C 32 74.826 -1.227 -10.558 1.00 0.00 C ATOM 495 CG GLU C 32 75.450 -1.063 -11.944 1.00 0.00 C ATOM 496 CD GLU C 32 76.748 -0.260 -11.828 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.785 0.653 -11.019 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.681 -0.573 -12.549 1.00 0.00 O ATOM 0 H GLU C 32 73.386 -0.222 -8.816 1.00 0.00 H new ATOM 0 HA GLU C 32 72.972 -0.995 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.132 -0.406 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.181 -2.148 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.653 -2.041 -12.381 1.00 0.00 H new ATOM 0 HG3 GLU C 32 74.753 -0.554 -12.610 1.00 0.00 H new ATOM 505 N ASP C 33 72.950 -3.133 -9.186 1.00 0.00 N ATOM 506 CA ASP C 33 72.447 -4.492 -8.834 1.00 0.00 C ATOM 507 C ASP C 33 70.930 -4.456 -8.628 1.00 0.00 C ATOM 508 O ASP C 33 70.177 -5.037 -9.383 1.00 0.00 O ATOM 509 CB ASP C 33 73.153 -4.851 -7.528 1.00 0.00 C ATOM 510 CG ASP C 33 74.483 -5.541 -7.837 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.349 -4.892 -8.402 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.615 -6.707 -7.501 1.00 0.00 O ATOM 0 H ASP C 33 73.429 -2.639 -8.433 1.00 0.00 H new ATOM 0 HA ASP C 33 72.646 -5.221 -9.619 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.327 -3.951 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.521 -5.508 -6.930 1.00 0.00 H new ATOM 517 N GLY C 34 70.480 -3.777 -7.610 1.00 0.00 N ATOM 518 CA GLY C 34 69.014 -3.700 -7.351 1.00 0.00 C ATOM 519 C GLY C 34 68.773 -3.528 -5.852 1.00 0.00 C ATOM 520 O GLY C 34 68.093 -4.318 -5.226 1.00 0.00 O ATOM 0 H GLY C 34 71.065 -3.271 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.580 -2.864 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.522 -4.605 -7.708 1.00 0.00 H new ATOM 524 N CYS C 35 69.325 -2.499 -5.270 1.00 0.00 N ATOM 525 CA CYS C 35 69.129 -2.272 -3.810 1.00 0.00 C ATOM 526 C CYS C 35 68.855 -0.791 -3.542 1.00 0.00 C ATOM 527 O CYS C 35 68.834 0.019 -4.447 1.00 0.00 O ATOM 528 CB CYS C 35 70.447 -2.699 -3.162 1.00 0.00 C ATOM 529 SG CYS C 35 70.654 -4.489 -3.336 1.00 0.00 S ATOM 0 H CYS C 35 69.904 -1.805 -5.743 1.00 0.00 H new ATOM 0 HA CYS C 35 68.281 -2.831 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.281 -2.178 -3.632 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.452 -2.422 -2.108 1.00 0.00 H new ATOM 0 HG CYS C 35 69.625 -4.987 -3.955 1.00 0.00 H new ATOM 535 N ILE C 36 68.643 -0.428 -2.306 1.00 0.00 N ATOM 536 CA ILE C 36 68.372 1.004 -1.993 1.00 0.00 C ATOM 537 C ILE C 36 69.384 1.529 -0.972 1.00 0.00 C ATOM 538 O ILE C 36 69.898 0.795 -0.151 1.00 0.00 O ATOM 539 CB ILE C 36 66.961 1.024 -1.408 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.961 0.576 -2.476 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.617 2.444 -0.955 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.825 -0.206 -1.813 1.00 0.00 C ATOM 0 H ILE C 36 68.646 -1.057 -1.503 1.00 0.00 H new ATOM 0 HA ILE C 36 68.457 1.639 -2.875 1.00 0.00 H new ATOM 0 HB ILE C 36 66.912 0.347 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.562 1.443 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.460 -0.046 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.610 2.459 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.330 2.766 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.666 3.120 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.112 -0.526 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.233 -1.081 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.320 0.431 -1.087 1.00 0.00 H new ATOM 554 N SER C 37 69.670 2.799 -1.024 1.00 0.00 N ATOM 555 CA SER C 37 70.646 3.394 -0.068 1.00 0.00 C ATOM 556 C SER C 37 70.330 4.875 0.117 1.00 0.00 C ATOM 557 O SER C 37 71.209 5.693 0.276 1.00 0.00 O ATOM 558 CB SER C 37 71.997 3.229 -0.741 1.00 0.00 C ATOM 559 OG SER C 37 72.963 2.835 0.225 1.00 0.00 O ATOM 0 H SER C 37 69.267 3.456 -1.692 1.00 0.00 H new ATOM 0 HA SER C 37 70.618 2.922 0.914 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.932 2.482 -1.532 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.298 4.165 -1.211 1.00 0.00 H new ATOM 0 HG SER C 37 73.835 2.727 -0.209 1.00 0.00 H new ATOM 565 N THR C 38 69.072 5.206 0.068 1.00 0.00 N ATOM 566 CA THR C 38 68.619 6.629 0.210 1.00 0.00 C ATOM 567 C THR C 38 68.862 7.385 -1.100 1.00 0.00 C ATOM 568 O THR C 38 67.999 8.086 -1.589 1.00 0.00 O ATOM 569 CB THR C 38 69.422 7.260 1.362 1.00 0.00 C ATOM 570 OG1 THR C 38 70.638 7.801 0.865 1.00 0.00 O ATOM 571 CG2 THR C 38 69.717 6.217 2.443 1.00 0.00 C ATOM 0 H THR C 38 68.314 4.537 -0.068 1.00 0.00 H new ATOM 0 HA THR C 38 67.552 6.678 0.429 1.00 0.00 H new ATOM 0 HB THR C 38 68.828 8.060 1.804 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.223 7.073 0.568 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.285 6.680 3.250 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.779 5.827 2.838 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.297 5.401 2.012 1.00 0.00 H new ATOM 579 N LYS C 39 70.022 7.242 -1.684 1.00 0.00 N ATOM 580 CA LYS C 39 70.296 7.946 -2.969 1.00 0.00 C ATOM 581 C LYS C 39 69.161 7.669 -3.959 1.00 0.00 C ATOM 582 O LYS C 39 68.701 8.553 -4.655 1.00 0.00 O ATOM 583 CB LYS C 39 71.610 7.350 -3.477 1.00 0.00 C ATOM 584 CG LYS C 39 72.132 8.187 -4.644 1.00 0.00 C ATOM 585 CD LYS C 39 73.616 7.887 -4.865 1.00 0.00 C ATOM 586 CE LYS C 39 73.767 6.823 -5.955 1.00 0.00 C ATOM 587 NZ LYS C 39 74.839 7.338 -6.852 1.00 0.00 N ATOM 0 H LYS C 39 70.788 6.671 -1.328 1.00 0.00 H new ATOM 0 HA LYS C 39 70.364 9.027 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.346 7.328 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.455 6.319 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.566 7.962 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.992 9.248 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.142 8.797 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.069 7.539 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.039 5.857 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS C 39 72.833 6.680 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.999 6.661 -7.625 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.549 8.255 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.718 7.458 -6.309 1.00 0.00 H new ATOM 601 N GLU C 40 68.704 6.448 -4.020 1.00 0.00 N ATOM 602 CA GLU C 40 67.593 6.108 -4.958 1.00 0.00 C ATOM 603 C GLU C 40 66.250 6.227 -4.233 1.00 0.00 C ATOM 604 O GLU C 40 65.219 6.436 -4.839 1.00 0.00 O ATOM 605 CB GLU C 40 67.839 4.652 -5.363 1.00 0.00 C ATOM 606 CG GLU C 40 69.316 4.442 -5.704 1.00 0.00 C ATOM 607 CD GLU C 40 69.622 5.071 -7.065 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.153 6.171 -7.306 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.321 4.441 -7.842 1.00 0.00 O ATOM 0 H GLU C 40 69.052 5.669 -3.461 1.00 0.00 H new ATOM 0 HA GLU C 40 67.565 6.773 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.547 3.986 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.220 4.396 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.945 4.891 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.547 3.377 -5.724 1.00 0.00 H new ATOM 616 N LEU C 41 66.261 6.082 -2.936 1.00 0.00 N ATOM 617 CA LEU C 41 64.994 6.170 -2.157 1.00 0.00 C ATOM 618 C LEU C 41 64.603 7.640 -1.938 1.00 0.00 C ATOM 619 O LEU C 41 63.479 8.035 -2.183 1.00 0.00 O ATOM 620 CB LEU C 41 65.317 5.446 -0.834 1.00 0.00 C ATOM 621 CG LEU C 41 64.827 6.247 0.379 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.301 6.332 0.354 1.00 0.00 C ATOM 623 CD2 LEU C 41 65.276 5.545 1.662 1.00 0.00 C ATOM 0 H LEU C 41 67.098 5.905 -2.380 1.00 0.00 H new ATOM 0 HA LEU C 41 64.141 5.717 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.850 4.461 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.393 5.289 -0.757 1.00 0.00 H new ATOM 0 HG LEU C 41 65.246 7.253 0.345 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.954 6.901 1.216 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.979 6.828 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.880 5.327 0.389 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.930 6.111 2.527 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.855 4.540 1.694 1.00 0.00 H new ATOM 0 HD23 LEU C 41 66.364 5.483 1.681 1.00 0.00 H new ATOM 635 N GLY C 42 65.515 8.450 -1.474 1.00 0.00 N ATOM 636 CA GLY C 42 65.186 9.885 -1.237 1.00 0.00 C ATOM 637 C GLY C 42 64.613 10.503 -2.512 1.00 0.00 C ATOM 638 O GLY C 42 63.891 11.480 -2.468 1.00 0.00 O ATOM 0 H GLY C 42 66.473 8.181 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.465 9.973 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.081 10.427 -0.930 1.00 0.00 H new ATOM 642 N LYS C 43 64.926 9.947 -3.650 1.00 0.00 N ATOM 643 CA LYS C 43 64.394 10.512 -4.923 1.00 0.00 C ATOM 644 C LYS C 43 62.864 10.470 -4.922 1.00 0.00 C ATOM 645 O LYS C 43 62.211 11.246 -5.591 1.00 0.00 O ATOM 646 CB LYS C 43 64.955 9.610 -6.023 1.00 0.00 C ATOM 647 CG LYS C 43 66.409 9.994 -6.305 1.00 0.00 C ATOM 648 CD LYS C 43 66.545 10.448 -7.760 1.00 0.00 C ATOM 649 CE LYS C 43 65.536 11.564 -8.044 1.00 0.00 C ATOM 650 NZ LYS C 43 66.034 12.228 -9.280 1.00 0.00 N ATOM 0 H LYS C 43 65.525 9.128 -3.754 1.00 0.00 H new ATOM 0 HA LYS C 43 64.682 11.554 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS C 43 64.896 8.566 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.359 9.710 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.722 10.793 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.064 9.144 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.558 10.803 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.372 9.607 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.533 11.162 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS C 43 65.481 12.267 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.393 13.006 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 66.988 12.607 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.069 11.536 -10.056 1.00 0.00 H new ATOM 664 N VAL C 44 62.285 9.571 -4.173 1.00 0.00 N ATOM 665 CA VAL C 44 60.797 9.483 -4.130 1.00 0.00 C ATOM 666 C VAL C 44 60.240 10.462 -3.094 1.00 0.00 C ATOM 667 O VAL C 44 59.143 10.967 -3.231 1.00 0.00 O ATOM 668 CB VAL C 44 60.497 8.037 -3.726 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.057 7.930 -3.218 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.675 7.124 -4.940 1.00 0.00 C ATOM 0 H VAL C 44 62.777 8.894 -3.590 1.00 0.00 H new ATOM 0 HA VAL C 44 60.339 9.740 -5.085 1.00 0.00 H new ATOM 0 HB VAL C 44 61.182 7.734 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.848 6.899 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.927 8.580 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.369 8.234 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.462 6.094 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL C 44 59.989 7.431 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.701 7.196 -5.302 1.00 0.00 H new ATOM 680 N MET C 45 60.985 10.734 -2.056 1.00 0.00 N ATOM 681 CA MET C 45 60.491 11.680 -1.014 1.00 0.00 C ATOM 682 C MET C 45 60.117 13.021 -1.649 1.00 0.00 C ATOM 683 O MET C 45 59.093 13.599 -1.341 1.00 0.00 O ATOM 684 CB MET C 45 61.661 11.852 -0.046 1.00 0.00 C ATOM 685 CG MET C 45 61.571 10.794 1.055 1.00 0.00 C ATOM 686 SD MET C 45 61.707 9.146 0.319 1.00 0.00 S ATOM 687 CE MET C 45 59.954 8.921 -0.067 1.00 0.00 C ATOM 0 H MET C 45 61.912 10.343 -1.885 1.00 0.00 H new ATOM 0 HA MET C 45 59.598 11.308 -0.511 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.606 11.757 -0.580 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.641 12.850 0.391 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.366 10.945 1.785 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.626 10.889 1.589 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.667 7.888 0.131 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.356 9.589 0.553 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.781 9.150 -1.118 1.00 0.00 H new ATOM 697 N ARG C 46 60.937 13.522 -2.533 1.00 0.00 N ATOM 698 CA ARG C 46 60.621 14.827 -3.183 1.00 0.00 C ATOM 699 C ARG C 46 59.440 14.663 -4.143 1.00 0.00 C ATOM 700 O ARG C 46 58.602 15.534 -4.267 1.00 0.00 O ATOM 701 CB ARG C 46 61.889 15.208 -3.948 1.00 0.00 C ATOM 702 CG ARG C 46 62.613 16.331 -3.203 1.00 0.00 C ATOM 703 CD ARG C 46 63.738 16.888 -4.079 1.00 0.00 C ATOM 704 NE ARG C 46 64.668 17.558 -3.128 1.00 0.00 N ATOM 705 CZ ARG C 46 65.662 18.273 -3.581 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.430 19.408 -4.178 1.00 0.00 N ATOM 707 NH2 ARG C 46 66.889 17.851 -3.435 1.00 0.00 N ATOM 0 H ARG C 46 61.809 13.086 -2.833 1.00 0.00 H new ATOM 0 HA ARG C 46 60.339 15.593 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.542 14.341 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.635 15.531 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.910 17.124 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.021 15.954 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.241 16.093 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.353 17.592 -4.817 1.00 0.00 H new ATOM 0 HE ARG C 46 64.528 17.458 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.472 19.738 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG C 46 66.207 19.966 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG C 46 67.071 16.963 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG C 46 67.666 18.409 -3.789 1.00 0.00 H new ATOM 721 N MET C 47 59.364 13.550 -4.819 1.00 0.00 N ATOM 722 CA MET C 47 58.233 13.330 -5.766 1.00 0.00 C ATOM 723 C MET C 47 56.905 13.350 -5.005 1.00 0.00 C ATOM 724 O MET C 47 55.892 13.788 -5.513 1.00 0.00 O ATOM 725 CB MET C 47 58.487 11.949 -6.371 1.00 0.00 C ATOM 726 CG MET C 47 58.692 12.080 -7.882 1.00 0.00 C ATOM 727 SD MET C 47 59.926 10.875 -8.430 1.00 0.00 S ATOM 728 CE MET C 47 59.178 9.420 -7.656 1.00 0.00 C ATOM 0 H MET C 47 60.035 12.784 -4.757 1.00 0.00 H new ATOM 0 HA MET C 47 58.174 14.103 -6.532 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.366 11.496 -5.913 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.644 11.290 -6.164 1.00 0.00 H new ATOM 0 HG2 MET C 47 57.749 11.914 -8.403 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.019 13.090 -8.129 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.470 8.525 -8.205 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.520 9.340 -6.624 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.092 9.517 -7.672 1.00 0.00 H new ATOM 738 N LEU C 48 56.905 12.883 -3.786 1.00 0.00 N ATOM 739 CA LEU C 48 55.646 12.879 -2.987 1.00 0.00 C ATOM 740 C LEU C 48 55.360 14.285 -2.455 1.00 0.00 C ATOM 741 O LEU C 48 54.242 14.615 -2.111 1.00 0.00 O ATOM 742 CB LEU C 48 55.911 11.914 -1.831 1.00 0.00 C ATOM 743 CG LEU C 48 56.259 10.531 -2.386 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.152 9.791 -1.388 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.973 9.732 -2.606 1.00 0.00 C ATOM 0 H LEU C 48 57.723 12.504 -3.309 1.00 0.00 H new ATOM 0 HA LEU C 48 54.781 12.577 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.729 12.286 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.032 11.849 -1.190 1.00 0.00 H new ATOM 0 HG LEU C 48 56.786 10.642 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.400 8.806 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU C 48 58.068 10.359 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.625 9.680 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.220 8.747 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.447 9.621 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.335 10.258 -3.316 1.00 0.00 H new ATOM 757 N GLY C 49 56.365 15.115 -2.384 1.00 0.00 N ATOM 758 CA GLY C 49 56.156 16.500 -1.875 1.00 0.00 C ATOM 759 C GLY C 49 56.865 16.662 -0.529 1.00 0.00 C ATOM 760 O GLY C 49 56.538 17.533 0.253 1.00 0.00 O ATOM 0 H GLY C 49 57.323 14.893 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.543 17.224 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY C 49 55.090 16.701 -1.763 1.00 0.00 H new ATOM 764 N GLN C 50 57.832 15.830 -0.252 1.00 0.00 N ATOM 765 CA GLN C 50 58.558 15.939 1.046 1.00 0.00 C ATOM 766 C GLN C 50 60.070 15.966 0.814 1.00 0.00 C ATOM 767 O GLN C 50 60.537 16.135 -0.296 1.00 0.00 O ATOM 768 CB GLN C 50 58.160 14.685 1.825 1.00 0.00 C ATOM 769 CG GLN C 50 57.257 15.077 2.996 1.00 0.00 C ATOM 770 CD GLN C 50 55.869 14.466 2.796 1.00 0.00 C ATOM 771 OE1 GLN C 50 54.886 15.175 2.709 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.747 13.169 2.719 1.00 0.00 N ATOM 0 H GLN C 50 58.150 15.081 -0.867 1.00 0.00 H new ATOM 0 HA GLN C 50 58.306 16.854 1.582 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.640 13.986 1.169 1.00 0.00 H new ATOM 0 HB3 GLN C 50 59.050 14.175 2.193 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.688 14.728 3.934 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.182 16.162 3.064 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.572 12.574 2.792 1.00 0.00 H new ATOM 0 HE22 GLN C 50 54.826 12.750 2.586 1.00 0.00 H new ATOM 781 N ASN C 51 60.838 15.798 1.855 1.00 0.00 N ATOM 782 CA ASN C 51 62.322 15.810 1.706 1.00 0.00 C ATOM 783 C ASN C 51 62.983 15.667 3.080 1.00 0.00 C ATOM 784 O ASN C 51 63.315 16.648 3.715 1.00 0.00 O ATOM 785 CB ASN C 51 62.651 17.172 1.092 1.00 0.00 C ATOM 786 CG ASN C 51 64.162 17.404 1.143 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.658 18.054 2.042 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.920 16.895 0.210 1.00 0.00 N ATOM 0 H ASN C 51 60.501 15.652 2.807 1.00 0.00 H new ATOM 0 HA ASN C 51 62.684 14.990 1.086 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.301 17.212 0.060 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.133 17.962 1.635 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.929 17.043 0.235 1.00 0.00 H new ATOM 0 HD22 ASN C 51 64.503 16.349 -0.544 1.00 0.00 H new ATOM 795 N PRO C 52 63.146 14.440 3.492 1.00 0.00 N ATOM 796 CA PRO C 52 63.768 14.154 4.808 1.00 0.00 C ATOM 797 C PRO C 52 65.267 14.461 4.771 1.00 0.00 C ATOM 798 O PRO C 52 65.836 14.709 3.727 1.00 0.00 O ATOM 799 CB PRO C 52 63.519 12.661 5.005 1.00 0.00 C ATOM 800 CG PRO C 52 63.357 12.111 3.624 1.00 0.00 C ATOM 801 CD PRO C 52 62.772 13.214 2.780 1.00 0.00 C ATOM 0 HA PRO C 52 63.358 14.759 5.617 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.352 12.187 5.524 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.627 12.485 5.607 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.317 11.785 3.223 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.702 11.240 3.630 1.00 0.00 H new ATOM 0 HD2 PRO C 52 63.177 13.200 1.768 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.690 13.118 2.691 1.00 0.00 H new ATOM 809 N THR C 53 65.910 14.446 5.907 1.00 0.00 N ATOM 810 CA THR C 53 67.372 14.737 5.942 1.00 0.00 C ATOM 811 C THR C 53 68.168 13.505 5.507 1.00 0.00 C ATOM 812 O THR C 53 67.619 12.433 5.354 1.00 0.00 O ATOM 813 CB THR C 53 67.669 15.080 7.402 1.00 0.00 C ATOM 814 OG1 THR C 53 66.773 14.369 8.244 1.00 0.00 O ATOM 815 CG2 THR C 53 67.492 16.584 7.620 1.00 0.00 C ATOM 0 H THR C 53 65.486 14.245 6.813 1.00 0.00 H new ATOM 0 HA THR C 53 67.649 15.547 5.267 1.00 0.00 H new ATOM 0 HB THR C 53 68.694 14.799 7.641 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.611 14.887 9.060 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.704 16.828 8.661 1.00 0.00 H new ATOM 0 HG22 THR C 53 68.179 17.129 6.972 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.467 16.868 7.382 1.00 0.00 H new ATOM 823 N PRO C 54 69.446 13.704 5.325 1.00 0.00 N ATOM 824 CA PRO C 54 70.336 12.595 4.906 1.00 0.00 C ATOM 825 C PRO C 54 70.549 11.621 6.067 1.00 0.00 C ATOM 826 O PRO C 54 70.633 10.423 5.878 1.00 0.00 O ATOM 827 CB PRO C 54 71.638 13.302 4.538 1.00 0.00 C ATOM 828 CG PRO C 54 71.619 14.579 5.318 1.00 0.00 C ATOM 829 CD PRO C 54 70.174 14.966 5.492 1.00 0.00 C ATOM 0 HA PRO C 54 69.933 12.004 4.083 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.504 12.694 4.798 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.693 13.495 3.467 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.102 14.447 6.286 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.167 15.361 4.792 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.994 15.404 6.474 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.867 15.705 4.752 1.00 0.00 H new ATOM 837 N GLU C 55 70.631 12.126 7.267 1.00 0.00 N ATOM 838 CA GLU C 55 70.831 11.231 8.443 1.00 0.00 C ATOM 839 C GLU C 55 69.540 10.460 8.734 1.00 0.00 C ATOM 840 O GLU C 55 69.564 9.367 9.263 1.00 0.00 O ATOM 841 CB GLU C 55 71.169 12.169 9.602 1.00 0.00 C ATOM 842 CG GLU C 55 72.674 12.449 9.612 1.00 0.00 C ATOM 843 CD GLU C 55 72.920 13.927 9.302 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.988 14.703 9.436 1.00 0.00 O ATOM 845 OE2 GLU C 55 74.035 14.257 8.935 1.00 0.00 O ATOM 0 H GLU C 55 70.568 13.120 7.485 1.00 0.00 H new ATOM 0 HA GLU C 55 71.616 10.493 8.277 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.616 13.103 9.501 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.866 11.719 10.548 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.095 12.195 10.585 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.176 11.823 8.874 1.00 0.00 H new ATOM 852 N GLU C 56 68.415 11.024 8.387 1.00 0.00 N ATOM 853 CA GLU C 56 67.121 10.327 8.638 1.00 0.00 C ATOM 854 C GLU C 56 66.884 9.255 7.571 1.00 0.00 C ATOM 855 O GLU C 56 66.466 8.154 7.869 1.00 0.00 O ATOM 856 CB GLU C 56 66.058 11.421 8.548 1.00 0.00 C ATOM 857 CG GLU C 56 66.129 12.304 9.796 1.00 0.00 C ATOM 858 CD GLU C 56 66.040 11.428 11.046 1.00 0.00 C ATOM 859 OE1 GLU C 56 65.169 10.575 11.087 1.00 0.00 O ATOM 860 OE2 GLU C 56 66.844 11.625 11.943 1.00 0.00 O ATOM 0 H GLU C 56 68.336 11.938 7.940 1.00 0.00 H new ATOM 0 HA GLU C 56 67.103 9.822 9.604 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.216 12.024 7.653 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.067 10.974 8.461 1.00 0.00 H new ATOM 0 HG2 GLU C 56 67.060 12.870 9.801 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.315 13.029 9.788 1.00 0.00 H new ATOM 867 N LEU C 57 67.151 9.567 6.331 1.00 0.00 N ATOM 868 CA LEU C 57 66.943 8.560 5.251 1.00 0.00 C ATOM 869 C LEU C 57 67.470 7.199 5.707 1.00 0.00 C ATOM 870 O LEU C 57 66.759 6.213 5.704 1.00 0.00 O ATOM 871 CB LEU C 57 67.749 9.078 4.059 1.00 0.00 C ATOM 872 CG LEU C 57 66.798 9.434 2.915 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.596 10.037 1.757 1.00 0.00 C ATOM 874 CD2 LEU C 57 66.084 8.169 2.434 1.00 0.00 C ATOM 0 H LEU C 57 67.503 10.472 6.020 1.00 0.00 H new ATOM 0 HA LEU C 57 65.891 8.431 4.998 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.327 9.954 4.351 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.461 8.321 3.731 1.00 0.00 H new ATOM 0 HG LEU C 57 66.062 10.157 3.266 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.919 10.291 0.942 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.107 10.937 2.097 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.331 9.313 1.406 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.406 8.422 1.619 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.821 7.447 2.083 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.516 7.736 3.258 1.00 0.00 H new ATOM 886 N GLN C 58 68.711 7.138 6.109 1.00 0.00 N ATOM 887 CA GLN C 58 69.275 5.841 6.575 1.00 0.00 C ATOM 888 C GLN C 58 68.354 5.233 7.635 1.00 0.00 C ATOM 889 O GLN C 58 68.272 4.031 7.783 1.00 0.00 O ATOM 890 CB GLN C 58 70.639 6.187 7.175 1.00 0.00 C ATOM 891 CG GLN C 58 71.738 5.869 6.157 1.00 0.00 C ATOM 892 CD GLN C 58 72.745 4.900 6.779 1.00 0.00 C ATOM 893 OE1 GLN C 58 73.536 5.283 7.618 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.750 3.651 6.400 1.00 0.00 N ATOM 0 H GLN C 58 69.356 7.928 6.134 1.00 0.00 H new ATOM 0 HA GLN C 58 69.368 5.112 5.770 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.673 7.242 7.445 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.801 5.618 8.091 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.301 5.430 5.260 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.241 6.786 5.851 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.086 3.329 5.696 1.00 0.00 H new ATOM 0 HE22 GLN C 58 73.418 2.997 6.808 1.00 0.00 H new ATOM 903 N GLU C 59 67.650 6.057 8.366 1.00 0.00 N ATOM 904 CA GLU C 59 66.725 5.520 9.402 1.00 0.00 C ATOM 905 C GLU C 59 65.655 4.661 8.727 1.00 0.00 C ATOM 906 O GLU C 59 65.250 3.636 9.238 1.00 0.00 O ATOM 907 CB GLU C 59 66.097 6.752 10.057 1.00 0.00 C ATOM 908 CG GLU C 59 65.793 6.449 11.527 1.00 0.00 C ATOM 909 CD GLU C 59 66.612 7.382 12.422 1.00 0.00 C ATOM 910 OE1 GLU C 59 67.795 7.531 12.163 1.00 0.00 O ATOM 911 OE2 GLU C 59 66.042 7.932 13.349 1.00 0.00 O ATOM 0 H GLU C 59 67.676 7.074 8.290 1.00 0.00 H new ATOM 0 HA GLU C 59 67.232 4.894 10.137 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.775 7.602 9.982 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.181 7.028 9.534 1.00 0.00 H new ATOM 0 HG2 GLU C 59 64.729 6.581 11.724 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.032 5.410 11.752 1.00 0.00 H new ATOM 918 N MET C 60 65.206 5.070 7.572 1.00 0.00 N ATOM 919 CA MET C 60 64.175 4.276 6.848 1.00 0.00 C ATOM 920 C MET C 60 64.761 2.918 6.452 1.00 0.00 C ATOM 921 O MET C 60 64.056 1.940 6.312 1.00 0.00 O ATOM 922 CB MET C 60 63.844 5.098 5.602 1.00 0.00 C ATOM 923 CG MET C 60 62.359 5.463 5.606 1.00 0.00 C ATOM 924 SD MET C 60 61.478 4.422 4.416 1.00 0.00 S ATOM 925 CE MET C 60 61.794 5.434 2.949 1.00 0.00 C ATOM 0 H MET C 60 65.509 5.921 7.098 1.00 0.00 H new ATOM 0 HA MET C 60 63.289 4.086 7.454 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.451 6.003 5.580 1.00 0.00 H new ATOM 0 HB3 MET C 60 64.086 4.529 4.704 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.943 5.325 6.604 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.231 6.515 5.350 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.762 4.805 2.059 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.033 6.210 2.872 1.00 0.00 H new ATOM 0 HE3 MET C 60 62.777 5.897 3.031 1.00 0.00 H new ATOM 935 N ILE C 61 66.053 2.857 6.277 1.00 0.00 N ATOM 936 CA ILE C 61 66.700 1.570 5.894 1.00 0.00 C ATOM 937 C ILE C 61 67.025 0.755 7.148 1.00 0.00 C ATOM 938 O ILE C 61 66.758 -0.429 7.218 1.00 0.00 O ATOM 939 CB ILE C 61 67.983 1.977 5.169 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.637 2.476 3.764 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.919 0.772 5.065 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.416 3.988 3.801 1.00 0.00 C ATOM 0 H ILE C 61 66.690 3.646 6.383 1.00 0.00 H new ATOM 0 HA ILE C 61 66.058 0.950 5.268 1.00 0.00 H new ATOM 0 HB ILE C 61 68.478 2.772 5.728 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.442 2.232 3.071 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.740 1.975 3.399 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.833 1.065 4.548 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.166 0.416 6.065 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.426 -0.025 4.508 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.170 4.344 2.801 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.596 4.219 4.481 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.325 4.480 4.148 1.00 0.00 H new ATOM 954 N ASP C 62 67.597 1.380 8.140 1.00 0.00 N ATOM 955 CA ASP C 62 67.936 0.644 9.392 1.00 0.00 C ATOM 956 C ASP C 62 66.655 0.189 10.095 1.00 0.00 C ATOM 957 O ASP C 62 66.681 -0.655 10.970 1.00 0.00 O ATOM 958 CB ASP C 62 68.692 1.656 10.254 1.00 0.00 C ATOM 959 CG ASP C 62 70.087 1.114 10.575 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.209 -0.088 10.747 1.00 0.00 O ATOM 961 OD2 ASP C 62 71.008 1.910 10.645 1.00 0.00 O ATOM 0 H ASP C 62 67.845 2.369 8.138 1.00 0.00 H new ATOM 0 HA ASP C 62 68.530 -0.250 9.201 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.772 2.608 9.729 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.143 1.846 11.176 1.00 0.00 H new ATOM 966 N GLU C 63 65.534 0.741 9.718 1.00 0.00 N ATOM 967 CA GLU C 63 64.249 0.342 10.361 1.00 0.00 C ATOM 968 C GLU C 63 63.863 -1.076 9.931 1.00 0.00 C ATOM 969 O GLU C 63 63.277 -1.826 10.685 1.00 0.00 O ATOM 970 CB GLU C 63 63.222 1.355 9.853 1.00 0.00 C ATOM 971 CG GLU C 63 61.845 1.021 10.426 1.00 0.00 C ATOM 972 CD GLU C 63 61.700 1.656 11.809 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.370 2.644 12.060 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.920 1.144 12.596 1.00 0.00 O ATOM 0 H GLU C 63 65.452 1.452 8.991 1.00 0.00 H new ATOM 0 HA GLU C 63 64.314 0.338 11.449 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.515 2.363 10.147 1.00 0.00 H new ATOM 0 HB3 GLU C 63 63.188 1.338 8.764 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.064 1.390 9.761 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.721 -0.060 10.496 1.00 0.00 H new ATOM 981 N VAL C 64 64.190 -1.445 8.724 1.00 0.00 N ATOM 982 CA VAL C 64 63.845 -2.812 8.243 1.00 0.00 C ATOM 983 C VAL C 64 65.112 -3.555 7.814 1.00 0.00 C ATOM 984 O VAL C 64 65.118 -4.280 6.837 1.00 0.00 O ATOM 985 CB VAL C 64 62.919 -2.590 7.047 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.570 -2.062 7.536 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.551 -1.570 6.097 1.00 0.00 C ATOM 0 H VAL C 64 64.682 -0.859 8.049 1.00 0.00 H new ATOM 0 HA VAL C 64 63.370 -3.416 9.017 1.00 0.00 H new ATOM 0 HB VAL C 64 62.770 -3.534 6.523 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.910 -1.904 6.683 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.119 -2.787 8.214 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.717 -1.118 8.061 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.892 -1.411 5.244 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.699 -0.627 6.622 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.513 -1.945 5.748 1.00 0.00 H new ATOM 997 N ASP C 65 66.184 -3.380 8.535 1.00 0.00 N ATOM 998 CA ASP C 65 67.451 -4.075 8.169 1.00 0.00 C ATOM 999 C ASP C 65 67.827 -5.087 9.254 1.00 0.00 C ATOM 1000 O ASP C 65 68.381 -4.738 10.277 1.00 0.00 O ATOM 1001 CB ASP C 65 68.501 -2.968 8.080 1.00 0.00 C ATOM 1002 CG ASP C 65 69.555 -3.350 7.039 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.486 -4.053 7.398 1.00 0.00 O ATOM 1004 OD2 ASP C 65 69.413 -2.934 5.901 1.00 0.00 O ATOM 0 H ASP C 65 66.238 -2.786 9.362 1.00 0.00 H new ATOM 0 HA ASP C 65 67.365 -4.628 7.233 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.029 -2.025 7.806 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.971 -2.819 9.052 1.00 0.00 H new ATOM 1009 N GLU C 66 67.529 -6.339 9.038 1.00 0.00 N ATOM 1010 CA GLU C 66 67.868 -7.373 10.056 1.00 0.00 C ATOM 1011 C GLU C 66 69.280 -7.915 9.815 1.00 0.00 C ATOM 1012 O GLU C 66 69.654 -8.949 10.331 1.00 0.00 O ATOM 1013 CB GLU C 66 66.828 -8.476 9.858 1.00 0.00 C ATOM 1014 CG GLU C 66 66.460 -9.081 11.214 1.00 0.00 C ATOM 1015 CD GLU C 66 65.057 -9.686 11.141 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.558 -9.841 10.038 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.505 -9.984 12.187 1.00 0.00 O ATOM 0 H GLU C 66 67.065 -6.691 8.200 1.00 0.00 H new ATOM 0 HA GLU C 66 67.853 -6.974 11.070 1.00 0.00 H new ATOM 0 HB2 GLU C 66 65.939 -8.070 9.376 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.223 -9.249 9.198 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.184 -9.848 11.490 1.00 0.00 H new ATOM 0 HG3 GLU C 66 66.497 -8.314 11.988 1.00 0.00 H new ATOM 1024 N ASP C 67 70.065 -7.223 9.036 1.00 0.00 N ATOM 1025 CA ASP C 67 71.453 -7.700 8.765 1.00 0.00 C ATOM 1026 C ASP C 67 72.442 -6.534 8.858 1.00 0.00 C ATOM 1027 O ASP C 67 73.616 -6.680 8.583 1.00 0.00 O ATOM 1028 CB ASP C 67 71.415 -8.258 7.341 1.00 0.00 C ATOM 1029 CG ASP C 67 70.626 -7.309 6.436 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.942 -6.131 6.429 1.00 0.00 O ATOM 1031 OD2 ASP C 67 69.720 -7.777 5.766 1.00 0.00 O ATOM 0 H ASP C 67 69.807 -6.350 8.576 1.00 0.00 H new ATOM 0 HA ASP C 67 71.777 -8.450 9.486 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.429 -8.380 6.961 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.953 -9.245 7.339 1.00 0.00 H new ATOM 1036 N GLY C 68 71.976 -5.378 9.244 1.00 0.00 N ATOM 1037 CA GLY C 68 72.891 -4.206 9.353 1.00 0.00 C ATOM 1038 C GLY C 68 73.758 -4.118 8.096 1.00 0.00 C ATOM 1039 O GLY C 68 74.963 -3.991 8.170 1.00 0.00 O ATOM 0 H GLY C 68 71.003 -5.194 9.488 1.00 0.00 H new ATOM 0 HA2 GLY C 68 72.313 -3.290 9.474 1.00 0.00 H new ATOM 0 HA3 GLY C 68 73.522 -4.304 10.237 1.00 0.00 H new ATOM 1043 N SER C 69 73.154 -4.187 6.941 1.00 0.00 N ATOM 1044 CA SER C 69 73.945 -4.107 5.679 1.00 0.00 C ATOM 1045 C SER C 69 74.133 -2.646 5.261 1.00 0.00 C ATOM 1046 O SER C 69 75.117 -2.290 4.644 1.00 0.00 O ATOM 1047 CB SER C 69 73.113 -4.859 4.643 1.00 0.00 C ATOM 1048 OG SER C 69 71.768 -4.406 4.703 1.00 0.00 O ATOM 0 H SER C 69 72.147 -4.295 6.816 1.00 0.00 H new ATOM 0 HA SER C 69 74.942 -4.534 5.789 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.520 -4.696 3.645 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.157 -5.931 4.833 1.00 0.00 H new ATOM 0 HG SER C 69 71.201 -5.112 5.078 1.00 0.00 H new ATOM 1054 N GLY C 70 73.198 -1.797 5.593 1.00 0.00 N ATOM 1055 CA GLY C 70 73.328 -0.362 5.213 1.00 0.00 C ATOM 1056 C GLY C 70 72.391 -0.055 4.043 1.00 0.00 C ATOM 1057 O GLY C 70 71.992 1.073 3.835 1.00 0.00 O ATOM 0 H GLY C 70 72.352 -2.035 6.110 1.00 0.00 H new ATOM 0 HA2 GLY C 70 73.084 0.274 6.064 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.358 -0.141 4.935 1.00 0.00 H new ATOM 1061 N THR C 71 72.039 -1.050 3.276 1.00 0.00 N ATOM 1062 CA THR C 71 71.129 -0.813 2.117 1.00 0.00 C ATOM 1063 C THR C 71 69.858 -1.658 2.264 1.00 0.00 C ATOM 1064 O THR C 71 69.719 -2.428 3.193 1.00 0.00 O ATOM 1065 CB THR C 71 71.930 -1.253 0.890 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.252 -2.633 1.000 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.220 -0.435 0.802 1.00 0.00 C ATOM 0 H THR C 71 72.341 -2.016 3.400 1.00 0.00 H new ATOM 0 HA THR C 71 70.812 0.227 2.044 1.00 0.00 H new ATOM 0 HB THR C 71 71.333 -1.091 -0.008 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.763 -2.913 0.212 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.791 -0.748 -0.072 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.974 0.623 0.715 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.815 -0.596 1.701 1.00 0.00 H new ATOM 1075 N VAL C 72 68.931 -1.521 1.355 1.00 0.00 N ATOM 1076 CA VAL C 72 67.674 -2.319 1.450 1.00 0.00 C ATOM 1077 C VAL C 72 67.389 -3.024 0.121 1.00 0.00 C ATOM 1078 O VAL C 72 67.971 -2.707 -0.898 1.00 0.00 O ATOM 1079 CB VAL C 72 66.579 -1.299 1.765 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.209 -1.966 1.631 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.759 -0.785 3.194 1.00 0.00 C ATOM 0 H VAL C 72 68.989 -0.893 0.553 1.00 0.00 H new ATOM 0 HA VAL C 72 67.737 -3.097 2.211 1.00 0.00 H new ATOM 0 HB VAL C 72 66.646 -0.464 1.067 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.427 -1.240 1.855 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.081 -2.334 0.613 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.141 -2.800 2.329 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.979 -0.058 3.420 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.691 -1.619 3.892 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.736 -0.311 3.290 1.00 0.00 H new ATOM 1091 N ASP C 73 66.498 -3.979 0.122 1.00 0.00 N ATOM 1092 CA ASP C 73 66.180 -4.705 -1.143 1.00 0.00 C ATOM 1093 C ASP C 73 64.705 -5.116 -1.169 1.00 0.00 C ATOM 1094 O ASP C 73 63.943 -4.799 -0.277 1.00 0.00 O ATOM 1095 CB ASP C 73 67.079 -5.942 -1.127 1.00 0.00 C ATOM 1096 CG ASP C 73 67.048 -6.582 0.263 1.00 0.00 C ATOM 1097 OD1 ASP C 73 65.997 -6.559 0.880 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.077 -7.084 0.685 1.00 0.00 O ATOM 0 H ASP C 73 65.977 -4.288 0.943 1.00 0.00 H new ATOM 0 HA ASP C 73 66.350 -4.086 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.742 -6.659 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.100 -5.665 -1.388 1.00 0.00 H new ATOM 1103 N PHE C 74 64.302 -5.825 -2.188 1.00 0.00 N ATOM 1104 CA PHE C 74 62.881 -6.266 -2.281 1.00 0.00 C ATOM 1105 C PHE C 74 62.488 -7.048 -1.027 1.00 0.00 C ATOM 1106 O PHE C 74 61.323 -7.250 -0.747 1.00 0.00 O ATOM 1107 CB PHE C 74 62.834 -7.171 -3.513 1.00 0.00 C ATOM 1108 CG PHE C 74 61.402 -7.535 -3.824 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.436 -6.530 -3.953 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.041 -8.878 -3.988 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.109 -6.868 -4.244 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.713 -9.215 -4.278 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.748 -8.211 -4.406 1.00 0.00 C ATOM 0 H PHE C 74 64.897 -6.119 -2.962 1.00 0.00 H new ATOM 0 HA PHE C 74 62.190 -5.427 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.284 -6.663 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.418 -8.074 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.714 -5.494 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.786 -9.654 -3.891 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.364 -6.093 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.434 -10.251 -4.403 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.724 -8.472 -4.630 1.00 0.00 H new ATOM 1123 N ASP C 75 63.452 -7.494 -0.269 1.00 0.00 N ATOM 1124 CA ASP C 75 63.134 -8.267 0.965 1.00 0.00 C ATOM 1125 C ASP C 75 62.885 -7.317 2.140 1.00 0.00 C ATOM 1126 O ASP C 75 61.795 -7.249 2.675 1.00 0.00 O ATOM 1127 CB ASP C 75 64.373 -9.125 1.223 1.00 0.00 C ATOM 1128 CG ASP C 75 63.979 -10.355 2.041 1.00 0.00 C ATOM 1129 OD1 ASP C 75 62.944 -10.930 1.749 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.718 -10.701 2.948 1.00 0.00 O ATOM 0 H ASP C 75 64.446 -7.357 -0.451 1.00 0.00 H new ATOM 0 HA ASP C 75 62.234 -8.871 0.852 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.820 -9.432 0.277 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.125 -8.545 1.758 1.00 0.00 H new ATOM 1135 N GLU C 76 63.885 -6.586 2.547 1.00 0.00 N ATOM 1136 CA GLU C 76 63.705 -5.645 3.689 1.00 0.00 C ATOM 1137 C GLU C 76 62.669 -4.573 3.336 1.00 0.00 C ATOM 1138 O GLU C 76 62.009 -4.027 4.199 1.00 0.00 O ATOM 1139 CB GLU C 76 65.082 -5.015 3.902 1.00 0.00 C ATOM 1140 CG GLU C 76 66.083 -6.099 4.307 1.00 0.00 C ATOM 1141 CD GLU C 76 67.474 -5.482 4.453 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.550 -4.329 4.845 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.440 -6.171 4.170 1.00 0.00 O ATOM 0 H GLU C 76 64.820 -6.599 2.139 1.00 0.00 H new ATOM 0 HA GLU C 76 63.344 -6.148 4.586 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.413 -4.522 2.988 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.027 -4.249 4.675 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.777 -6.558 5.247 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.102 -6.890 3.557 1.00 0.00 H new ATOM 1150 N PHE C 77 62.522 -4.267 2.077 1.00 0.00 N ATOM 1151 CA PHE C 77 61.529 -3.230 1.671 1.00 0.00 C ATOM 1152 C PHE C 77 60.109 -3.702 1.996 1.00 0.00 C ATOM 1153 O PHE C 77 59.285 -2.947 2.472 1.00 0.00 O ATOM 1154 CB PHE C 77 61.710 -3.080 0.160 1.00 0.00 C ATOM 1155 CG PHE C 77 60.566 -2.277 -0.410 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.477 -0.903 -0.153 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.593 -2.904 -1.199 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.418 -0.158 -0.683 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.534 -2.159 -1.729 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.446 -0.785 -1.471 1.00 0.00 C ATOM 0 H PHE C 77 63.046 -4.689 1.311 1.00 0.00 H new ATOM 0 HA PHE C 77 61.679 -2.287 2.196 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.657 -2.586 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.748 -4.062 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.227 -0.418 0.455 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.660 -3.963 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.351 0.901 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.784 -2.643 -2.337 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.629 -0.210 -1.880 1.00 0.00 H new ATOM 1170 N LEU C 78 59.817 -4.948 1.740 1.00 0.00 N ATOM 1171 CA LEU C 78 58.451 -5.468 2.032 1.00 0.00 C ATOM 1172 C LEU C 78 58.086 -5.206 3.495 1.00 0.00 C ATOM 1173 O LEU C 78 57.051 -4.643 3.795 1.00 0.00 O ATOM 1174 CB LEU C 78 58.535 -6.971 1.759 1.00 0.00 C ATOM 1175 CG LEU C 78 58.051 -7.257 0.337 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.471 -8.669 -0.074 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.525 -7.146 0.289 1.00 0.00 C ATOM 0 H LEU C 78 60.465 -5.628 1.342 1.00 0.00 H new ATOM 0 HA LEU C 78 57.686 -4.985 1.425 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.561 -7.317 1.882 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.926 -7.517 2.479 1.00 0.00 H new ATOM 0 HG LEU C 78 58.493 -6.534 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.125 -8.871 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.557 -8.750 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.030 -9.394 0.611 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.177 -7.349 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.086 -7.870 0.976 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.224 -6.140 0.581 1.00 0.00 H new ATOM 1189 N VAL C 79 58.928 -5.608 4.408 1.00 0.00 N ATOM 1190 CA VAL C 79 58.628 -5.381 5.852 1.00 0.00 C ATOM 1191 C VAL C 79 58.275 -3.911 6.096 1.00 0.00 C ATOM 1192 O VAL C 79 57.464 -3.590 6.941 1.00 0.00 O ATOM 1193 CB VAL C 79 59.917 -5.748 6.585 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.860 -5.218 8.017 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.073 -7.270 6.612 1.00 0.00 C ATOM 0 H VAL C 79 59.810 -6.083 4.217 1.00 0.00 H new ATOM 0 HA VAL C 79 57.779 -5.973 6.194 1.00 0.00 H new ATOM 0 HB VAL C 79 60.767 -5.304 6.067 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.780 -5.480 8.539 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.749 -4.134 8.000 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.010 -5.661 8.535 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.993 -7.532 7.135 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.222 -7.714 7.129 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.115 -7.650 5.591 1.00 0.00 H new ATOM 1205 N MET C 80 58.882 -3.017 5.365 1.00 0.00 N ATOM 1206 CA MET C 80 58.582 -1.569 5.558 1.00 0.00 C ATOM 1207 C MET C 80 57.147 -1.259 5.124 1.00 0.00 C ATOM 1208 O MET C 80 56.599 -0.227 5.454 1.00 0.00 O ATOM 1209 CB MET C 80 59.584 -0.837 4.666 1.00 0.00 C ATOM 1210 CG MET C 80 60.088 0.415 5.386 1.00 0.00 C ATOM 1211 SD MET C 80 59.608 1.885 4.446 1.00 0.00 S ATOM 1212 CE MET C 80 60.523 1.495 2.935 1.00 0.00 C ATOM 0 H MET C 80 59.572 -3.226 4.643 1.00 0.00 H new ATOM 0 HA MET C 80 58.666 -1.266 6.602 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.421 -1.493 4.426 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.114 -0.562 3.722 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.671 0.461 6.392 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.172 0.375 5.491 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.822 2.420 2.442 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.411 0.915 3.187 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.888 0.915 2.265 1.00 0.00 H new ATOM 1222 N MET C 81 56.534 -2.145 4.387 1.00 0.00 N ATOM 1223 CA MET C 81 55.135 -1.897 3.935 1.00 0.00 C ATOM 1224 C MET C 81 54.150 -2.700 4.790 1.00 0.00 C ATOM 1225 O MET C 81 52.955 -2.658 4.580 1.00 0.00 O ATOM 1226 CB MET C 81 55.098 -2.374 2.482 1.00 0.00 C ATOM 1227 CG MET C 81 55.911 -1.417 1.607 1.00 0.00 C ATOM 1228 SD MET C 81 54.787 -0.417 0.601 1.00 0.00 S ATOM 1229 CE MET C 81 55.176 1.183 1.350 1.00 0.00 C ATOM 0 H MET C 81 56.940 -3.028 4.079 1.00 0.00 H new ATOM 0 HA MET C 81 54.852 -0.849 4.028 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.504 -3.383 2.409 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.068 -2.419 2.129 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.529 -0.772 2.232 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.587 -1.981 0.964 1.00 0.00 H new ATOM 0 HE1 MET C 81 54.583 1.963 0.871 1.00 0.00 H new ATOM 0 HE2 MET C 81 54.944 1.153 2.415 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.236 1.399 1.216 1.00 0.00 H new ATOM 1239 N VAL C 82 54.643 -3.427 5.756 1.00 0.00 N ATOM 1240 CA VAL C 82 53.732 -4.229 6.624 1.00 0.00 C ATOM 1241 C VAL C 82 53.465 -3.486 7.936 1.00 0.00 C ATOM 1242 O VAL C 82 52.380 -3.537 8.480 1.00 0.00 O ATOM 1243 CB VAL C 82 54.483 -5.532 6.893 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.550 -6.528 7.583 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.969 -6.124 5.568 1.00 0.00 C ATOM 0 H VAL C 82 55.635 -3.501 5.982 1.00 0.00 H new ATOM 0 HA VAL C 82 52.765 -4.406 6.154 1.00 0.00 H new ATOM 0 HB VAL C 82 55.339 -5.330 7.537 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.087 -7.457 7.774 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.204 -6.108 8.527 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.693 -6.730 6.940 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.505 -7.054 5.760 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.113 -6.325 4.924 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.636 -5.416 5.076 1.00 0.00 H new ATOM 1255 N ARG C 83 54.448 -2.799 8.448 1.00 0.00 N ATOM 1256 CA ARG C 83 54.255 -2.055 9.725 1.00 0.00 C ATOM 1257 C ARG C 83 53.193 -0.965 9.551 1.00 0.00 C ATOM 1258 O ARG C 83 52.700 -0.407 10.510 1.00 0.00 O ATOM 1259 CB ARG C 83 55.617 -1.433 10.031 1.00 0.00 C ATOM 1260 CG ARG C 83 56.561 -2.510 10.570 1.00 0.00 C ATOM 1261 CD ARG C 83 57.963 -1.922 10.749 1.00 0.00 C ATOM 1262 NE ARG C 83 58.485 -2.548 11.995 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.718 -2.973 12.045 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.101 -3.957 11.278 1.00 0.00 N ATOM 1265 NH2 ARG C 83 60.567 -2.417 12.864 1.00 0.00 N ATOM 0 H ARG C 83 55.378 -2.720 8.037 1.00 0.00 H new ATOM 0 HA ARG C 83 53.912 -2.704 10.531 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.035 -0.986 9.129 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.507 -0.632 10.762 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.190 -2.889 11.522 1.00 0.00 H new ATOM 0 HG3 ARG C 83 56.595 -3.355 9.882 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.600 -2.152 9.895 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.928 -0.836 10.837 1.00 0.00 H new ATOM 0 HE ARG C 83 57.879 -2.645 12.810 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.437 -4.394 10.639 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.065 -4.289 11.317 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.267 -1.650 13.466 1.00 0.00 H new ATOM 0 HH22 ARG C 83 61.531 -2.749 12.903 1.00 0.00 H new ATOM 1279 N CYS C 84 52.840 -0.656 8.332 1.00 0.00 N ATOM 1280 CA CYS C 84 51.812 0.398 8.100 1.00 0.00 C ATOM 1281 C CYS C 84 50.523 -0.230 7.560 1.00 0.00 C ATOM 1282 O CYS C 84 49.999 0.180 6.544 1.00 0.00 O ATOM 1283 CB CYS C 84 52.430 1.333 7.059 1.00 0.00 C ATOM 1284 SG CYS C 84 52.758 0.408 5.538 1.00 0.00 S ATOM 0 H CYS C 84 53.219 -1.087 7.489 1.00 0.00 H new ATOM 0 HA CYS C 84 51.548 0.926 9.016 1.00 0.00 H new ATOM 0 HB2 CYS C 84 51.755 2.164 6.854 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.355 1.762 7.443 1.00 0.00 H new ATOM 0 HG CYS C 84 51.688 -0.241 5.186 1.00 0.00 H new ATOM 1290 N MET C 85 50.011 -1.224 8.233 1.00 0.00 N ATOM 1291 CA MET C 85 48.758 -1.878 7.759 1.00 0.00 C ATOM 1292 C MET C 85 47.908 -2.325 8.952 1.00 0.00 C ATOM 1293 O MET C 85 47.616 -3.493 9.115 1.00 0.00 O ATOM 1294 CB MET C 85 49.226 -3.088 6.950 1.00 0.00 C ATOM 1295 CG MET C 85 49.385 -2.688 5.483 1.00 0.00 C ATOM 1296 SD MET C 85 48.864 -4.061 4.424 1.00 0.00 S ATOM 1297 CE MET C 85 50.505 -4.502 3.804 1.00 0.00 C ATOM 0 H MET C 85 50.406 -1.611 9.090 1.00 0.00 H new ATOM 0 HA MET C 85 48.140 -1.204 7.166 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.174 -3.457 7.342 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.505 -3.901 7.041 1.00 0.00 H new ATOM 0 HG2 MET C 85 48.786 -1.802 5.269 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.423 -2.429 5.276 1.00 0.00 H new ATOM 0 HE1 MET C 85 50.411 -5.285 3.051 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.974 -3.624 3.358 1.00 0.00 H new ATOM 0 HE3 MET C 85 51.120 -4.863 4.628 1.00 0.00 H new ATOM 1411 N SER I 3 53.979 6.974 3.967 1.00 0.00 N ATOM 1412 CA SER I 3 52.698 6.222 4.091 1.00 0.00 C ATOM 1413 C SER I 3 52.458 5.374 2.839 1.00 0.00 C ATOM 1414 O SER I 3 53.380 5.008 2.138 1.00 0.00 O ATOM 1415 CB SER I 3 51.620 7.295 4.228 1.00 0.00 C ATOM 1416 OG SER I 3 51.528 8.028 3.013 1.00 0.00 O ATOM 0 HA SER I 3 52.701 5.538 4.940 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.660 6.834 4.462 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.861 7.965 5.053 1.00 0.00 H new ATOM 0 HG SER I 3 52.409 8.065 2.586 1.00 0.00 H new ATOM 1422 N ALA I 4 51.223 5.058 2.552 1.00 0.00 N ATOM 1423 CA ALA I 4 50.926 4.234 1.346 1.00 0.00 C ATOM 1424 C ALA I 4 50.091 5.040 0.348 1.00 0.00 C ATOM 1425 O ALA I 4 50.197 4.863 -0.851 1.00 0.00 O ATOM 1426 CB ALA I 4 50.132 3.039 1.871 1.00 0.00 C ATOM 0 H ALA I 4 50.409 5.335 3.100 1.00 0.00 H new ATOM 0 HA ALA I 4 51.831 3.924 0.823 1.00 0.00 H new ATOM 0 HB1 ALA I 4 49.874 2.381 1.041 1.00 0.00 H new ATOM 0 HB2 ALA I 4 50.735 2.491 2.594 1.00 0.00 H new ATOM 0 HB3 ALA I 4 49.220 3.391 2.352 1.00 0.00 H new ATOM 1432 N ASP I 5 49.263 5.926 0.830 1.00 0.00 N ATOM 1433 CA ASP I 5 48.426 6.743 -0.094 1.00 0.00 C ATOM 1434 C ASP I 5 49.298 7.759 -0.836 1.00 0.00 C ATOM 1435 O ASP I 5 49.307 7.814 -2.051 1.00 0.00 O ATOM 1436 CB ASP I 5 47.421 7.459 0.810 1.00 0.00 C ATOM 1437 CG ASP I 5 46.062 7.526 0.111 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.832 8.488 -0.602 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.275 6.614 0.302 1.00 0.00 O ATOM 0 H ASP I 5 49.130 6.119 1.823 1.00 0.00 H new ATOM 0 HA ASP I 5 47.932 6.134 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.328 6.930 1.759 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.774 8.465 1.039 1.00 0.00 H new ATOM 1444 N ALA I 6 50.033 8.562 -0.117 1.00 0.00 N ATOM 1445 CA ALA I 6 50.908 9.572 -0.781 1.00 0.00 C ATOM 1446 C ALA I 6 51.926 8.870 -1.684 1.00 0.00 C ATOM 1447 O ALA I 6 52.280 9.361 -2.738 1.00 0.00 O ATOM 1448 CB ALA I 6 51.615 10.297 0.363 1.00 0.00 C ATOM 0 H ALA I 6 50.066 8.563 0.902 1.00 0.00 H new ATOM 0 HA ALA I 6 50.344 10.260 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA I 6 52.280 11.059 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.874 10.769 1.008 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.197 9.581 0.943 1.00 0.00 H new ATOM 1454 N MET I 7 52.397 7.722 -1.279 1.00 0.00 N ATOM 1455 CA MET I 7 53.390 6.986 -2.114 1.00 0.00 C ATOM 1456 C MET I 7 52.858 6.823 -3.540 1.00 0.00 C ATOM 1457 O MET I 7 53.554 7.068 -4.505 1.00 0.00 O ATOM 1458 CB MET I 7 53.541 5.624 -1.436 1.00 0.00 C ATOM 1459 CG MET I 7 55.022 5.340 -1.183 1.00 0.00 C ATOM 1460 SD MET I 7 55.423 3.672 -1.763 1.00 0.00 S ATOM 1461 CE MET I 7 55.957 4.134 -3.429 1.00 0.00 C ATOM 0 H MET I 7 52.138 7.262 -0.407 1.00 0.00 H new ATOM 0 HA MET I 7 54.342 7.511 -2.189 1.00 0.00 H new ATOM 0 HB2 MET I 7 52.992 5.612 -0.495 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.113 4.844 -2.065 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.638 6.075 -1.701 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.244 5.430 -0.120 1.00 0.00 H new ATOM 0 HE1 MET I 7 55.607 3.389 -4.143 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.541 5.108 -3.687 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.045 4.184 -3.461 1.00 0.00 H new ATOM 1471 N MET I 8 51.627 6.414 -3.678 1.00 0.00 N ATOM 1472 CA MET I 8 51.047 6.238 -5.041 1.00 0.00 C ATOM 1473 C MET I 8 50.494 7.571 -5.553 1.00 0.00 C ATOM 1474 O MET I 8 50.070 7.685 -6.686 1.00 0.00 O ATOM 1475 CB MET I 8 49.916 5.223 -4.862 1.00 0.00 C ATOM 1476 CG MET I 8 50.458 3.968 -4.177 1.00 0.00 C ATOM 1477 SD MET I 8 51.762 3.238 -5.201 1.00 0.00 S ATOM 1478 CE MET I 8 53.109 3.395 -4.002 1.00 0.00 C ATOM 0 H MET I 8 50.997 6.194 -2.907 1.00 0.00 H new ATOM 0 HA MET I 8 51.787 5.900 -5.766 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.114 5.658 -4.265 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.488 4.965 -5.831 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.852 4.219 -3.192 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.654 3.248 -4.025 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.863 2.634 -4.201 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.560 4.384 -4.088 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.716 3.262 -2.994 1.00 0.00 H new ATOM 1488 N GLN I 9 50.492 8.580 -4.725 1.00 0.00 N ATOM 1489 CA GLN I 9 49.964 9.904 -5.160 1.00 0.00 C ATOM 1490 C GLN I 9 50.945 10.585 -6.120 1.00 0.00 C ATOM 1491 O GLN I 9 50.569 11.061 -7.173 1.00 0.00 O ATOM 1492 CB GLN I 9 49.827 10.716 -3.870 1.00 0.00 C ATOM 1493 CG GLN I 9 49.146 12.052 -4.172 1.00 0.00 C ATOM 1494 CD GLN I 9 47.634 11.906 -3.993 1.00 0.00 C ATOM 1495 OE1 GLN I 9 46.907 11.769 -4.957 1.00 0.00 O ATOM 1496 NE2 GLN I 9 47.125 11.931 -2.791 1.00 0.00 N ATOM 0 H GLN I 9 50.834 8.544 -3.765 1.00 0.00 H new ATOM 0 HA GLN I 9 49.017 9.813 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.245 10.157 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN I 9 50.810 10.889 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN I 9 49.529 12.826 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN I 9 49.374 12.366 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN I 9 47.735 12.046 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN I 9 46.118 11.836 -2.662 1.00 0.00 H new ATOM 1505 N ALA I 10 52.198 10.643 -5.761 1.00 0.00 N ATOM 1506 CA ALA I 10 53.198 11.302 -6.651 1.00 0.00 C ATOM 1507 C ALA I 10 53.724 10.321 -7.704 1.00 0.00 C ATOM 1508 O ALA I 10 53.744 10.617 -8.882 1.00 0.00 O ATOM 1509 CB ALA I 10 54.326 11.740 -5.718 1.00 0.00 C ATOM 0 H ALA I 10 52.573 10.264 -4.892 1.00 0.00 H new ATOM 0 HA ALA I 10 52.765 12.139 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA I 10 55.105 12.235 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.933 12.431 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.745 10.866 -5.219 1.00 0.00 H new ATOM 1515 N LEU I 11 54.157 9.159 -7.293 1.00 0.00 N ATOM 1516 CA LEU I 11 54.685 8.175 -8.285 1.00 0.00 C ATOM 1517 C LEU I 11 53.775 6.941 -8.360 1.00 0.00 C ATOM 1518 O LEU I 11 52.661 6.951 -7.875 1.00 0.00 O ATOM 1519 CB LEU I 11 56.091 7.803 -7.790 1.00 0.00 C ATOM 1520 CG LEU I 11 56.104 7.690 -6.262 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.215 6.731 -5.829 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.366 9.071 -5.654 1.00 0.00 C ATOM 0 H LEU I 11 54.169 8.849 -6.321 1.00 0.00 H new ATOM 0 HA LEU I 11 54.718 8.591 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.402 6.857 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.809 8.558 -8.112 1.00 0.00 H new ATOM 0 HG LEU I 11 55.141 7.312 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.224 6.651 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.037 5.747 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.177 7.110 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.376 8.994 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.330 9.444 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.579 9.759 -5.962 1.00 0.00 H new ATOM 1534 N LEU I 12 54.234 5.889 -8.987 1.00 0.00 N ATOM 1535 CA LEU I 12 53.390 4.662 -9.121 1.00 0.00 C ATOM 1536 C LEU I 12 52.088 5.008 -9.856 1.00 0.00 C ATOM 1537 O LEU I 12 52.101 5.692 -10.861 1.00 0.00 O ATOM 1538 CB LEU I 12 53.106 4.188 -7.688 1.00 0.00 C ATOM 1539 CG LEU I 12 54.406 3.755 -6.995 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.335 3.055 -7.993 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.107 4.985 -6.422 1.00 0.00 C ATOM 0 H LEU I 12 55.159 5.826 -9.413 1.00 0.00 H new ATOM 0 HA LEU I 12 53.887 3.881 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.635 4.990 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.403 3.355 -7.707 1.00 0.00 H new ATOM 0 HG LEU I 12 54.165 3.059 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.252 2.754 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.837 2.173 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.577 3.739 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.030 4.681 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.338 5.681 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.453 5.472 -5.699 1.00 0.00 H new