USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: C 81 MET CE :methyl -110:sc= -0.359 (180deg=-1.47) USER MOD Set 2.1: C 45 MET CE :methyl 158:sc= -0.201 (180deg=-1.16) USER MOD Set 2.2: C 50 GLN : amide:sc= -0.045 X(o=-0.25,f=-0.25) USER MOD Single : C 5 TYR OH : rot 30:sc= -2.57! USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : C 16 GLN : amide:sc= -12.9! C(o=-13!,f=-21!) USER MOD Single : C 17 LYS NZ :NH3+ 171:sc= -0.0122 (180deg=-0.1) USER MOD Single : C 18 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 54:sc= -0.346! USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.255! 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 47 MET CE :methyl -158:sc= -5.33! (180deg=-8.75!) USER MOD Single : C 51 ASN : amide:sc= -2.53 K(o=-2.5,f=-4!) USER MOD Single : C 53 THR OG1 : rot 70:sc= 1.09 USER MOD Single : C 58 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.14) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot 180:sc= -0.816 USER MOD Single : C 71 THR OG1 : rot -170:sc= -0.233 USER MOD Single : C 84 CYS SG : rot 71:sc= 0.969 USER MOD Single : C 85 MET CE :methyl -126:sc= -1.08 (180deg=-3.53!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 40:sc= 0.892 USER MOD Single : I 153 MET CE :methyl 165:sc= -1.72 (180deg=-2.39) USER MOD Single : I 154 MET CE :methyl -166:sc= -0.0363 (180deg=-0.381) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.421 -16.331 -1.443 1.00 0.00 N ATOM 64 CA TYR C 5 86.304 -15.099 -0.668 1.00 0.00 C ATOM 65 C TYR C 5 85.269 -15.259 0.440 1.00 0.00 C ATOM 66 O TYR C 5 85.350 -14.610 1.482 1.00 0.00 O ATOM 67 CB TYR C 5 85.891 -13.934 -1.570 1.00 0.00 C ATOM 68 CG TYR C 5 86.976 -13.673 -2.587 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.008 -14.407 -3.779 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.950 -12.699 -2.339 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.014 -14.166 -4.723 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.956 -12.458 -3.283 1.00 0.00 C ATOM 73 CZ TYR C 5 88.988 -13.191 -4.475 1.00 0.00 C ATOM 74 OH TYR C 5 89.979 -12.953 -5.405 1.00 0.00 O ATOM 0 HA TYR C 5 87.278 -14.889 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.953 -14.166 -2.075 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.717 -13.040 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR C 5 86.257 -15.159 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.926 -12.133 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR C 5 88.039 -14.732 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.707 -11.706 -3.091 1.00 0.00 H new ATOM 0 HH TYR C 5 89.637 -13.143 -6.303 1.00 0.00 H new ATOM 84 N LYS C 6 84.292 -16.131 0.203 1.00 0.00 N ATOM 85 CA LYS C 6 83.242 -16.367 1.190 1.00 0.00 C ATOM 86 C LYS C 6 83.851 -16.714 2.546 1.00 0.00 C ATOM 87 O LYS C 6 83.399 -16.232 3.585 1.00 0.00 O ATOM 88 CB LYS C 6 82.328 -17.509 0.743 1.00 0.00 C ATOM 89 CG LYS C 6 81.203 -16.947 -0.128 1.00 0.00 C ATOM 90 CD LYS C 6 80.233 -16.147 0.744 1.00 0.00 C ATOM 91 CE LYS C 6 79.223 -15.422 -0.147 1.00 0.00 C ATOM 92 NZ LYS C 6 79.574 -13.975 -0.221 1.00 0.00 N ATOM 0 H LYS C 6 84.205 -16.680 -0.653 1.00 0.00 H new ATOM 0 HA LYS C 6 82.656 -15.452 1.280 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.900 -18.250 0.184 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.911 -18.017 1.612 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.617 -16.309 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.675 -17.759 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.713 -16.813 1.433 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.782 -15.426 1.350 1.00 0.00 H new ATOM 0 HE2 LYS C 6 79.224 -15.859 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.216 -15.543 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.887 -13.482 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.552 -13.563 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.528 -13.869 -0.622 1.00 0.00 H new ATOM 106 N ALA C 7 84.883 -17.553 2.525 1.00 0.00 N ATOM 107 CA ALA C 7 85.547 -17.953 3.763 1.00 0.00 C ATOM 108 C ALA C 7 86.162 -16.737 4.446 1.00 0.00 C ATOM 109 O ALA C 7 86.179 -16.637 5.673 1.00 0.00 O ATOM 110 CB ALA C 7 86.647 -18.976 3.478 1.00 0.00 C ATOM 0 H ALA C 7 85.274 -17.964 1.677 1.00 0.00 H new ATOM 0 HA ALA C 7 84.800 -18.403 4.418 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.130 -19.261 4.413 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.211 -19.859 3.011 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.386 -18.538 2.807 1.00 0.00 H new ATOM 116 N ALA C 8 86.658 -15.808 3.635 1.00 0.00 N ATOM 117 CA ALA C 8 87.261 -14.592 4.168 1.00 0.00 C ATOM 118 C ALA C 8 86.172 -13.571 4.471 1.00 0.00 C ATOM 119 O ALA C 8 86.298 -12.753 5.382 1.00 0.00 O ATOM 120 CB ALA C 8 88.247 -13.993 3.162 1.00 0.00 C ATOM 0 H ALA C 8 86.655 -15.872 2.617 1.00 0.00 H new ATOM 0 HA ALA C 8 87.798 -14.845 5.082 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.686 -13.086 3.579 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.036 -14.715 2.952 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.722 -13.750 2.238 1.00 0.00 H new ATOM 126 N VAL C 9 85.091 -13.643 3.697 1.00 0.00 N ATOM 127 CA VAL C 9 83.964 -12.734 3.883 1.00 0.00 C ATOM 128 C VAL C 9 83.080 -13.235 5.018 1.00 0.00 C ATOM 129 O VAL C 9 82.323 -12.474 5.622 1.00 0.00 O ATOM 130 CB VAL C 9 83.132 -12.643 2.601 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.819 -11.913 2.891 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.920 -11.873 1.539 1.00 0.00 C ATOM 0 H VAL C 9 84.973 -14.317 2.940 1.00 0.00 H new ATOM 0 HA VAL C 9 84.354 -11.746 4.126 1.00 0.00 H new ATOM 0 HB VAL C 9 82.914 -13.647 2.238 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.228 -11.849 1.977 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.258 -12.461 3.648 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.034 -10.908 3.255 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.330 -11.807 0.625 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.138 -10.869 1.904 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.855 -12.394 1.331 1.00 0.00 H new ATOM 142 N GLU C 10 83.198 -14.528 5.305 1.00 0.00 N ATOM 143 CA GLU C 10 82.420 -15.137 6.377 1.00 0.00 C ATOM 144 C GLU C 10 83.089 -14.857 7.716 1.00 0.00 C ATOM 145 O GLU C 10 82.462 -14.922 8.773 1.00 0.00 O ATOM 146 CB GLU C 10 82.318 -16.651 6.169 1.00 0.00 C ATOM 147 CG GLU C 10 81.351 -16.945 5.021 1.00 0.00 C ATOM 148 CD GLU C 10 80.004 -17.384 5.586 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.214 -16.517 5.922 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.782 -18.580 5.673 1.00 0.00 O ATOM 0 H GLU C 10 83.820 -15.170 4.814 1.00 0.00 H new ATOM 0 HA GLU C 10 81.418 -14.709 6.368 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.301 -17.065 5.945 1.00 0.00 H new ATOM 0 HB3 GLU C 10 81.970 -17.132 7.083 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.225 -16.057 4.402 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.759 -17.726 4.379 1.00 0.00 H new ATOM 157 N GLN C 11 84.378 -14.536 7.649 1.00 0.00 N ATOM 158 CA GLN C 11 85.151 -14.233 8.848 1.00 0.00 C ATOM 159 C GLN C 11 84.615 -12.975 9.517 1.00 0.00 C ATOM 160 O GLN C 11 84.239 -12.984 10.689 1.00 0.00 O ATOM 161 CB GLN C 11 86.616 -14.001 8.482 1.00 0.00 C ATOM 162 CG GLN C 11 87.257 -15.328 8.070 1.00 0.00 C ATOM 163 CD GLN C 11 88.151 -15.834 9.197 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.346 -16.056 8.999 1.00 0.00 O ATOM 165 NE2 GLN C 11 87.638 -16.033 10.380 1.00 0.00 N ATOM 0 H GLN C 11 84.908 -14.479 6.779 1.00 0.00 H new ATOM 0 HA GLN C 11 85.067 -15.078 9.531 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.688 -13.282 7.666 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.151 -13.575 9.331 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.484 -16.063 7.847 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.842 -15.194 7.160 1.00 0.00 H new ATOM 0 HE21 GLN C 11 86.648 -15.849 10.544 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.227 -16.372 11.141 1.00 0.00 H new ATOM 174 N LEU C 12 84.596 -11.889 8.752 1.00 0.00 N ATOM 175 CA LEU C 12 84.116 -10.612 9.264 1.00 0.00 C ATOM 176 C LEU C 12 82.847 -10.801 10.087 1.00 0.00 C ATOM 177 O LEU C 12 81.797 -11.172 9.561 1.00 0.00 O ATOM 178 CB LEU C 12 83.822 -9.654 8.110 1.00 0.00 C ATOM 179 CG LEU C 12 85.075 -9.501 7.247 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.879 -8.348 6.262 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.276 -9.205 8.148 1.00 0.00 C ATOM 0 H LEU C 12 84.906 -11.867 7.780 1.00 0.00 H new ATOM 0 HA LEU C 12 84.896 -10.193 9.899 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.996 -10.034 7.508 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.513 -8.683 8.498 1.00 0.00 H new ATOM 0 HG LEU C 12 85.252 -10.423 6.693 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.772 -8.239 5.647 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.021 -8.558 5.623 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.703 -7.424 6.813 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.171 -9.095 7.536 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.098 -8.282 8.700 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.415 -10.027 8.851 1.00 0.00 H new ATOM 193 N THR C 13 82.954 -10.536 11.385 1.00 0.00 N ATOM 194 CA THR C 13 81.808 -10.673 12.277 1.00 0.00 C ATOM 195 C THR C 13 80.872 -9.480 12.116 1.00 0.00 C ATOM 196 O THR C 13 81.226 -8.477 11.497 1.00 0.00 O ATOM 197 CB THR C 13 82.266 -10.750 13.736 1.00 0.00 C ATOM 198 OG1 THR C 13 83.673 -10.950 13.779 1.00 0.00 O ATOM 199 CG2 THR C 13 81.560 -11.913 14.434 1.00 0.00 C ATOM 0 H THR C 13 83.814 -10.228 11.839 1.00 0.00 H new ATOM 0 HA THR C 13 81.284 -11.592 12.015 1.00 0.00 H new ATOM 0 HB THR C 13 82.016 -9.820 14.246 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.968 -10.998 14.712 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.887 -11.967 15.472 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.482 -11.757 14.401 1.00 0.00 H new ATOM 0 HG23 THR C 13 81.807 -12.846 13.927 1.00 0.00 H new ATOM 207 N GLU C 14 79.675 -9.597 12.681 1.00 0.00 N ATOM 208 CA GLU C 14 78.700 -8.516 12.593 1.00 0.00 C ATOM 209 C GLU C 14 79.312 -7.216 13.106 1.00 0.00 C ATOM 210 O GLU C 14 78.851 -6.123 12.777 1.00 0.00 O ATOM 211 CB GLU C 14 77.454 -8.845 13.416 1.00 0.00 C ATOM 212 CG GLU C 14 77.813 -8.871 14.903 1.00 0.00 C ATOM 213 CD GLU C 14 76.758 -8.106 15.694 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.645 -8.596 15.786 1.00 0.00 O ATOM 215 OE2 GLU C 14 77.078 -7.041 16.196 1.00 0.00 O ATOM 0 H GLU C 14 79.359 -10.418 13.198 1.00 0.00 H new ATOM 0 HA GLU C 14 78.415 -8.399 11.547 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.678 -8.102 13.232 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.050 -9.811 13.112 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.872 -9.901 15.256 1.00 0.00 H new ATOM 0 HG3 GLU C 14 78.795 -8.424 15.059 1.00 0.00 H new ATOM 222 N GLU C 15 80.361 -7.350 13.914 1.00 0.00 N ATOM 223 CA GLU C 15 81.039 -6.180 14.468 1.00 0.00 C ATOM 224 C GLU C 15 81.569 -5.296 13.348 1.00 0.00 C ATOM 225 O GLU C 15 81.091 -4.182 13.135 1.00 0.00 O ATOM 226 CB GLU C 15 82.213 -6.604 15.353 1.00 0.00 C ATOM 227 CG GLU C 15 81.731 -7.608 16.402 1.00 0.00 C ATOM 228 CD GLU C 15 82.380 -7.290 17.745 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.627 -6.123 18.000 1.00 0.00 O ATOM 230 OE2 GLU C 15 82.622 -8.219 18.498 1.00 0.00 O ATOM 0 H GLU C 15 80.757 -8.246 14.198 1.00 0.00 H new ATOM 0 HA GLU C 15 80.314 -5.627 15.065 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.999 -7.050 14.743 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.646 -5.732 15.842 1.00 0.00 H new ATOM 0 HG2 GLU C 15 80.646 -7.564 16.491 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.985 -8.622 16.094 1.00 0.00 H new ATOM 237 N GLN C 16 82.568 -5.808 12.635 1.00 0.00 N ATOM 238 CA GLN C 16 83.166 -5.058 11.535 1.00 0.00 C ATOM 239 C GLN C 16 82.124 -4.785 10.452 1.00 0.00 C ATOM 240 O GLN C 16 82.149 -3.744 9.794 1.00 0.00 O ATOM 241 CB GLN C 16 84.348 -5.833 10.937 1.00 0.00 C ATOM 242 CG GLN C 16 83.841 -6.905 9.970 1.00 0.00 C ATOM 243 CD GLN C 16 83.742 -6.315 8.568 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.656 -6.239 7.994 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.824 -5.889 7.976 1.00 0.00 N ATOM 0 H GLN C 16 82.977 -6.728 12.796 1.00 0.00 H new ATOM 0 HA GLN C 16 83.530 -4.108 11.925 1.00 0.00 H new ATOM 0 HB2 GLN C 16 85.015 -5.147 10.414 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.929 -6.297 11.734 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.517 -7.760 9.970 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.866 -7.270 10.293 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.724 -5.952 8.452 1.00 0.00 H new ATOM 0 HE22 GLN C 16 84.770 -5.493 7.038 1.00 0.00 H new ATOM 254 N LYS C 17 81.205 -5.733 10.277 1.00 0.00 N ATOM 255 CA LYS C 17 80.155 -5.584 9.274 1.00 0.00 C ATOM 256 C LYS C 17 79.413 -4.268 9.479 1.00 0.00 C ATOM 257 O LYS C 17 79.010 -3.610 8.521 1.00 0.00 O ATOM 258 CB LYS C 17 79.156 -6.740 9.361 1.00 0.00 C ATOM 259 CG LYS C 17 78.873 -7.276 7.956 1.00 0.00 C ATOM 260 CD LYS C 17 79.735 -8.513 7.698 1.00 0.00 C ATOM 261 CE LYS C 17 81.014 -8.102 6.966 1.00 0.00 C ATOM 262 NZ LYS C 17 81.137 -8.883 5.703 1.00 0.00 N ATOM 0 H LYS C 17 81.166 -6.602 10.810 1.00 0.00 H new ATOM 0 HA LYS C 17 80.625 -5.590 8.291 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.556 -7.534 9.991 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.230 -6.401 9.826 1.00 0.00 H new ATOM 0 HG2 LYS C 17 77.817 -7.529 7.858 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.088 -6.509 7.212 1.00 0.00 H new ATOM 0 HD2 LYS C 17 79.984 -8.999 8.641 1.00 0.00 H new ATOM 0 HD3 LYS C 17 79.180 -9.238 7.103 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.992 -7.035 6.745 1.00 0.00 H new ATOM 0 HE3 LYS C 17 81.882 -8.279 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 81.918 -8.500 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 81.329 -9.880 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.250 -8.814 5.165 1.00 0.00 H new ATOM 276 N ASN C 18 79.242 -3.889 10.743 1.00 0.00 N ATOM 277 CA ASN C 18 78.552 -2.644 11.066 1.00 0.00 C ATOM 278 C ASN C 18 79.364 -1.453 10.570 1.00 0.00 C ATOM 279 O ASN C 18 78.939 -0.720 9.676 1.00 0.00 O ATOM 280 CB ASN C 18 78.348 -2.517 12.576 1.00 0.00 C ATOM 281 CG ASN C 18 77.309 -3.535 13.034 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.428 -3.921 12.266 1.00 0.00 O ATOM 283 ND2 ASN C 18 77.359 -3.998 14.253 1.00 0.00 N ATOM 0 H ASN C 18 79.567 -4.419 11.551 1.00 0.00 H new ATOM 0 HA ASN C 18 77.579 -2.657 10.574 1.00 0.00 H new ATOM 0 HB2 ASN C 18 79.291 -2.684 13.097 1.00 0.00 H new ATOM 0 HB3 ASN C 18 78.020 -1.508 12.826 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.668 -4.679 14.569 1.00 0.00 H new ATOM 0 HD22 ASN C 18 78.089 -3.679 14.890 1.00 0.00 H new ATOM 290 N GLU C 19 80.544 -1.272 11.157 1.00 0.00 N ATOM 291 CA GLU C 19 81.416 -0.170 10.761 1.00 0.00 C ATOM 292 C GLU C 19 81.524 -0.112 9.242 1.00 0.00 C ATOM 293 O GLU C 19 81.705 0.954 8.656 1.00 0.00 O ATOM 294 CB GLU C 19 82.815 -0.346 11.357 1.00 0.00 C ATOM 295 CG GLU C 19 83.291 -1.784 11.139 1.00 0.00 C ATOM 296 CD GLU C 19 84.631 -1.986 11.837 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.827 -1.390 12.884 1.00 0.00 O ATOM 298 OE2 GLU C 19 85.443 -2.733 11.316 1.00 0.00 O ATOM 0 H GLU C 19 80.915 -1.866 11.899 1.00 0.00 H new ATOM 0 HA GLU C 19 80.984 0.758 11.136 1.00 0.00 H new ATOM 0 HB2 GLU C 19 83.510 0.352 10.890 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.799 -0.116 12.422 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.555 -2.486 11.531 1.00 0.00 H new ATOM 0 HG3 GLU C 19 83.390 -1.988 10.073 1.00 0.00 H new ATOM 305 N PHE C 20 81.399 -1.274 8.610 1.00 0.00 N ATOM 306 CA PHE C 20 81.471 -1.350 7.154 1.00 0.00 C ATOM 307 C PHE C 20 80.112 -1.015 6.553 1.00 0.00 C ATOM 308 O PHE C 20 79.963 -0.027 5.835 1.00 0.00 O ATOM 309 CB PHE C 20 81.892 -2.753 6.708 1.00 0.00 C ATOM 310 CG PHE C 20 83.381 -2.786 6.437 1.00 0.00 C ATOM 311 CD1 PHE C 20 84.222 -1.791 6.958 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.921 -3.819 5.660 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.598 -1.832 6.702 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.297 -3.858 5.405 1.00 0.00 C ATOM 315 CZ PHE C 20 86.135 -2.866 5.925 1.00 0.00 C ATOM 0 H PHE C 20 81.249 -2.168 9.077 1.00 0.00 H new ATOM 0 HA PHE C 20 82.214 -0.632 6.807 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.638 -3.480 7.480 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.344 -3.037 5.810 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.808 -0.993 7.557 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.276 -4.586 5.258 1.00 0.00 H new ATOM 0 HE1 PHE C 20 86.245 -1.066 7.104 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.712 -4.655 4.806 1.00 0.00 H new ATOM 0 HZ PHE C 20 87.196 -2.898 5.727 1.00 0.00 H new ATOM 325 N LYS C 21 79.114 -1.838 6.869 1.00 0.00 N ATOM 326 CA LYS C 21 77.766 -1.598 6.363 1.00 0.00 C ATOM 327 C LYS C 21 77.461 -0.111 6.434 1.00 0.00 C ATOM 328 O LYS C 21 77.178 0.535 5.425 1.00 0.00 O ATOM 329 CB LYS C 21 76.734 -2.355 7.195 1.00 0.00 C ATOM 330 CG LYS C 21 76.724 -3.819 6.771 1.00 0.00 C ATOM 331 CD LYS C 21 75.330 -4.188 6.258 1.00 0.00 C ATOM 332 CE LYS C 21 75.449 -4.892 4.905 1.00 0.00 C ATOM 333 NZ LYS C 21 74.088 -5.115 4.341 1.00 0.00 N ATOM 0 H LYS C 21 79.210 -2.662 7.462 1.00 0.00 H new ATOM 0 HA LYS C 21 77.715 -1.948 5.332 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.973 -2.273 8.255 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.746 -1.917 7.056 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.467 -3.989 5.992 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.994 -4.455 7.614 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.829 -4.839 6.975 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.719 -3.291 6.160 1.00 0.00 H new ATOM 0 HE2 LYS C 21 76.044 -4.288 4.220 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.966 -5.844 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 74.168 -5.594 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.535 -5.707 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 73.610 -4.200 4.215 1.00 0.00 H new ATOM 347 N ALA C 22 77.546 0.424 7.645 1.00 0.00 N ATOM 348 CA ALA C 22 77.301 1.848 7.853 1.00 0.00 C ATOM 349 C ALA C 22 78.063 2.650 6.807 1.00 0.00 C ATOM 350 O ALA C 22 77.492 3.484 6.104 1.00 0.00 O ATOM 351 CB ALA C 22 77.762 2.276 9.247 1.00 0.00 C ATOM 0 H ALA C 22 77.780 -0.098 8.490 1.00 0.00 H new ATOM 0 HA ALA C 22 76.231 2.034 7.763 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.571 3.341 9.383 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.215 1.710 10.001 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.830 2.083 9.352 1.00 0.00 H new ATOM 357 N ALA C 23 79.359 2.371 6.699 1.00 0.00 N ATOM 358 CA ALA C 23 80.192 3.056 5.719 1.00 0.00 C ATOM 359 C ALA C 23 79.707 2.710 4.316 1.00 0.00 C ATOM 360 O ALA C 23 79.906 3.464 3.364 1.00 0.00 O ATOM 361 CB ALA C 23 81.657 2.638 5.867 1.00 0.00 C ATOM 0 H ALA C 23 79.849 1.684 7.271 1.00 0.00 H new ATOM 0 HA ALA C 23 80.117 4.130 5.887 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.261 3.161 5.126 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.009 2.892 6.867 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.746 1.562 5.714 1.00 0.00 H new ATOM 367 N PHE C 24 79.051 1.558 4.213 1.00 0.00 N ATOM 368 CA PHE C 24 78.511 1.098 2.938 1.00 0.00 C ATOM 369 C PHE C 24 77.381 2.017 2.489 1.00 0.00 C ATOM 370 O PHE C 24 77.154 2.213 1.295 1.00 0.00 O ATOM 371 CB PHE C 24 77.961 -0.323 3.082 1.00 0.00 C ATOM 372 CG PHE C 24 78.509 -1.203 1.985 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.316 -0.854 0.643 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.207 -2.372 2.311 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.821 -1.675 -0.373 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.712 -3.192 1.296 1.00 0.00 C ATOM 377 CZ PHE C 24 79.519 -2.844 -0.046 1.00 0.00 C ATOM 0 H PHE C 24 78.881 0.927 4.996 1.00 0.00 H new ATOM 0 HA PHE C 24 79.312 1.109 2.199 1.00 0.00 H new ATOM 0 HB2 PHE C 24 78.233 -0.730 4.056 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.872 -0.307 3.036 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.778 0.048 0.391 1.00 0.00 H new ATOM 0 HD2 PHE C 24 79.356 -2.641 3.346 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.672 -1.407 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.251 -4.093 1.548 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.909 -3.477 -0.829 1.00 0.00 H new ATOM 387 N ASP C 25 76.671 2.573 3.467 1.00 0.00 N ATOM 388 CA ASP C 25 75.556 3.470 3.176 1.00 0.00 C ATOM 389 C ASP C 25 76.059 4.883 2.888 1.00 0.00 C ATOM 390 O ASP C 25 75.270 5.810 2.708 1.00 0.00 O ATOM 391 CB ASP C 25 74.588 3.518 4.360 1.00 0.00 C ATOM 392 CG ASP C 25 73.568 2.392 4.228 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.962 1.245 4.355 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.407 2.694 4.002 1.00 0.00 O ATOM 0 H ASP C 25 76.846 2.420 4.460 1.00 0.00 H new ATOM 0 HA ASP C 25 75.040 3.086 2.296 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.137 3.418 5.297 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.080 4.482 4.389 1.00 0.00 H new ATOM 399 N ILE C 26 77.380 5.039 2.844 1.00 0.00 N ATOM 400 CA ILE C 26 77.971 6.347 2.573 1.00 0.00 C ATOM 401 C ILE C 26 78.528 6.387 1.154 1.00 0.00 C ATOM 402 O ILE C 26 78.309 7.343 0.411 1.00 0.00 O ATOM 403 CB ILE C 26 79.105 6.653 3.556 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.911 5.846 4.843 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.099 8.146 3.888 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.702 6.379 5.610 1.00 0.00 C ATOM 0 H ILE C 26 78.054 4.287 2.990 1.00 0.00 H new ATOM 0 HA ILE C 26 77.187 7.096 2.688 1.00 0.00 H new ATOM 0 HB ILE C 26 80.057 6.380 3.101 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.766 4.792 4.604 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.805 5.912 5.463 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.905 8.366 4.588 1.00 0.00 H new ATOM 0 HG22 ILE C 26 79.244 8.722 2.974 1.00 0.00 H new ATOM 0 HG23 ILE C 26 78.144 8.415 4.339 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.568 5.802 6.525 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.864 7.427 5.863 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.810 6.289 4.990 1.00 0.00 H new ATOM 418 N PHE C 27 79.250 5.331 0.789 1.00 0.00 N ATOM 419 CA PHE C 27 79.836 5.245 -0.545 1.00 0.00 C ATOM 420 C PHE C 27 78.754 5.397 -1.608 1.00 0.00 C ATOM 421 O PHE C 27 78.959 6.039 -2.638 1.00 0.00 O ATOM 422 CB PHE C 27 80.539 3.899 -0.734 1.00 0.00 C ATOM 423 CG PHE C 27 81.422 3.623 0.460 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.389 4.559 0.846 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.272 2.434 1.182 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.206 4.305 1.954 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.089 2.179 2.290 1.00 0.00 C ATOM 428 CZ PHE C 27 83.056 3.115 2.676 1.00 0.00 C ATOM 0 H PHE C 27 79.442 4.531 1.391 1.00 0.00 H new ATOM 0 HA PHE C 27 80.564 6.050 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.802 3.104 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.136 3.913 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.505 5.477 0.289 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.526 1.712 0.884 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.952 5.027 2.252 1.00 0.00 H new ATOM 0 HE2 PHE C 27 81.973 1.261 2.847 1.00 0.00 H new ATOM 0 HZ PHE C 27 83.686 2.919 3.531 1.00 0.00 H new ATOM 438 N VAL C 28 77.594 4.801 -1.343 1.00 0.00 N ATOM 439 CA VAL C 28 76.477 4.878 -2.281 1.00 0.00 C ATOM 440 C VAL C 28 75.330 5.675 -1.670 1.00 0.00 C ATOM 441 O VAL C 28 74.157 5.411 -1.938 1.00 0.00 O ATOM 442 CB VAL C 28 75.974 3.478 -2.637 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.995 2.780 -3.536 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.786 2.666 -1.354 1.00 0.00 C ATOM 0 H VAL C 28 77.404 4.265 -0.496 1.00 0.00 H new ATOM 0 HA VAL C 28 76.830 5.375 -3.185 1.00 0.00 H new ATOM 0 HB VAL C 28 75.023 3.556 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.635 1.783 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.131 3.359 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.947 2.700 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.427 1.668 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.738 2.589 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.058 3.163 -0.713 1.00 0.00 H new ATOM 454 N LEU C 29 75.683 6.654 -0.841 1.00 0.00 N ATOM 455 CA LEU C 29 74.677 7.487 -0.189 1.00 0.00 C ATOM 456 C LEU C 29 73.920 8.322 -1.222 1.00 0.00 C ATOM 457 O LEU C 29 72.904 8.946 -0.916 1.00 0.00 O ATOM 458 CB LEU C 29 75.338 8.411 0.846 1.00 0.00 C ATOM 459 CG LEU C 29 75.916 9.651 0.156 1.00 0.00 C ATOM 460 CD1 LEU C 29 74.869 10.767 0.148 1.00 0.00 C ATOM 461 CD2 LEU C 29 77.158 10.125 0.914 1.00 0.00 C ATOM 0 H LEU C 29 76.648 6.888 -0.607 1.00 0.00 H new ATOM 0 HA LEU C 29 73.969 6.833 0.320 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.606 8.711 1.596 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.130 7.875 1.370 1.00 0.00 H new ATOM 0 HG LEU C 29 76.188 9.401 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU C 29 75.281 11.649 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.984 10.431 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.596 11.017 1.173 1.00 0.00 H new ATOM 0 HD21 LEU C 29 77.569 11.007 0.423 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.885 10.374 1.939 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.905 9.332 0.920 1.00 0.00 H new ATOM 473 N GLY C 30 74.430 8.320 -2.449 1.00 0.00 N ATOM 474 CA GLY C 30 73.802 9.075 -3.530 1.00 0.00 C ATOM 475 C GLY C 30 73.919 8.321 -4.850 1.00 0.00 C ATOM 476 O GLY C 30 74.204 8.907 -5.895 1.00 0.00 O ATOM 0 H GLY C 30 75.270 7.809 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.752 9.249 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.275 10.053 -3.620 1.00 0.00 H new ATOM 480 N ALA C 31 73.698 7.012 -4.788 1.00 0.00 N ATOM 481 CA ALA C 31 73.782 6.176 -5.983 1.00 0.00 C ATOM 482 C ALA C 31 72.425 5.558 -6.298 1.00 0.00 C ATOM 483 O ALA C 31 71.554 5.453 -5.434 1.00 0.00 O ATOM 484 CB ALA C 31 74.806 5.059 -5.782 1.00 0.00 C ATOM 0 H ALA C 31 73.461 6.510 -3.932 1.00 0.00 H new ATOM 0 HA ALA C 31 74.093 6.808 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.856 4.445 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.786 5.495 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.507 4.439 -4.936 1.00 0.00 H new ATOM 490 N GLU C 32 72.260 5.151 -7.552 1.00 0.00 N ATOM 491 CA GLU C 32 71.009 4.543 -7.993 1.00 0.00 C ATOM 492 C GLU C 32 70.706 3.283 -7.186 1.00 0.00 C ATOM 493 O GLU C 32 69.603 3.112 -6.667 1.00 0.00 O ATOM 494 CB GLU C 32 71.099 4.176 -9.474 1.00 0.00 C ATOM 495 CG GLU C 32 69.723 4.330 -10.126 1.00 0.00 C ATOM 496 CD GLU C 32 69.758 5.478 -11.129 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.707 5.542 -11.894 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.836 6.277 -11.118 1.00 0.00 O ATOM 0 H GLU C 32 72.972 5.230 -8.278 1.00 0.00 H new ATOM 0 HA GLU C 32 70.208 5.267 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.824 4.818 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.452 3.151 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.441 3.404 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.968 4.522 -9.364 1.00 0.00 H new ATOM 505 N ASP C 33 71.698 2.402 -7.089 1.00 0.00 N ATOM 506 CA ASP C 33 71.527 1.157 -6.345 1.00 0.00 C ATOM 507 C ASP C 33 72.515 1.087 -5.183 1.00 0.00 C ATOM 508 O ASP C 33 72.221 1.534 -4.074 1.00 0.00 O ATOM 509 CB ASP C 33 71.740 -0.054 -7.260 1.00 0.00 C ATOM 510 CG ASP C 33 72.702 0.313 -8.385 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.625 1.068 -8.126 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.502 -0.165 -9.490 1.00 0.00 O ATOM 0 H ASP C 33 72.619 2.524 -7.511 1.00 0.00 H new ATOM 0 HA ASP C 33 70.509 1.138 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.139 -0.890 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.787 -0.380 -7.676 1.00 0.00 H new ATOM 517 N GLY C 34 73.690 0.521 -5.448 1.00 0.00 N ATOM 518 CA GLY C 34 74.714 0.399 -4.414 1.00 0.00 C ATOM 519 C GLY C 34 76.103 0.321 -5.035 1.00 0.00 C ATOM 520 O GLY C 34 77.020 -0.277 -4.472 1.00 0.00 O ATOM 0 H GLY C 34 73.955 0.144 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.660 1.253 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.528 -0.492 -3.815 1.00 0.00 H new ATOM 524 N CYS C 35 76.249 0.937 -6.205 1.00 0.00 N ATOM 525 CA CYS C 35 77.534 0.935 -6.898 1.00 0.00 C ATOM 526 C CYS C 35 78.265 2.251 -6.654 1.00 0.00 C ATOM 527 O CYS C 35 77.752 3.329 -6.954 1.00 0.00 O ATOM 528 CB CYS C 35 77.341 0.746 -8.404 1.00 0.00 C ATOM 529 SG CYS C 35 75.926 -0.344 -8.707 1.00 0.00 S ATOM 0 H CYS C 35 75.504 1.438 -6.688 1.00 0.00 H new ATOM 0 HA CYS C 35 78.124 0.106 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.178 1.711 -8.883 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.242 0.319 -8.845 1.00 0.00 H new ATOM 0 HG CYS C 35 74.883 0.115 -8.081 1.00 0.00 H new ATOM 535 N ILE C 36 79.469 2.148 -6.102 1.00 0.00 N ATOM 536 CA ILE C 36 80.270 3.335 -5.814 1.00 0.00 C ATOM 537 C ILE C 36 80.940 3.851 -7.083 1.00 0.00 C ATOM 538 O ILE C 36 81.279 3.083 -7.983 1.00 0.00 O ATOM 539 CB ILE C 36 81.349 3.015 -4.780 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.738 2.200 -3.637 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.923 4.318 -4.224 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.856 1.607 -2.780 1.00 0.00 C ATOM 0 H ILE C 36 79.910 1.264 -5.847 1.00 0.00 H new ATOM 0 HA ILE C 36 79.602 4.100 -5.419 1.00 0.00 H new ATOM 0 HB ILE C 36 82.144 2.438 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.095 2.834 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.111 1.404 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.693 4.091 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.359 4.899 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.127 4.894 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.422 1.027 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.481 0.959 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.464 2.412 -2.367 1.00 0.00 H new ATOM 554 N SER C 37 81.132 5.165 -7.137 1.00 0.00 N ATOM 555 CA SER C 37 81.768 5.788 -8.292 1.00 0.00 C ATOM 556 C SER C 37 82.856 6.752 -7.830 1.00 0.00 C ATOM 557 O SER C 37 82.844 7.218 -6.691 1.00 0.00 O ATOM 558 CB SER C 37 80.740 6.556 -9.124 1.00 0.00 C ATOM 559 OG SER C 37 80.956 6.288 -10.503 1.00 0.00 O ATOM 0 H SER C 37 80.859 5.815 -6.400 1.00 0.00 H new ATOM 0 HA SER C 37 82.208 5.001 -8.905 1.00 0.00 H new ATOM 0 HB2 SER C 37 79.730 6.261 -8.838 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.826 7.626 -8.932 1.00 0.00 H new ATOM 0 HG SER C 37 80.297 6.778 -11.038 1.00 0.00 H new ATOM 565 N THR C 38 83.796 7.046 -8.725 1.00 0.00 N ATOM 566 CA THR C 38 84.886 7.959 -8.390 1.00 0.00 C ATOM 567 C THR C 38 84.361 9.107 -7.537 1.00 0.00 C ATOM 568 O THR C 38 84.719 9.248 -6.368 1.00 0.00 O ATOM 569 CB THR C 38 85.521 8.535 -9.659 1.00 0.00 C ATOM 570 OG1 THR C 38 84.560 9.320 -10.351 1.00 0.00 O ATOM 571 CG2 THR C 38 85.999 7.396 -10.561 1.00 0.00 C ATOM 0 H THR C 38 83.826 6.672 -9.674 1.00 0.00 H new ATOM 0 HA THR C 38 85.638 7.398 -7.836 1.00 0.00 H new ATOM 0 HB THR C 38 86.374 9.157 -9.387 1.00 0.00 H new ATOM 0 HG1 THR C 38 84.964 9.691 -11.163 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.450 7.811 -11.463 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.737 6.796 -10.029 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.151 6.769 -10.835 1.00 0.00 H new ATOM 579 N LYS C 39 83.502 9.921 -8.139 1.00 0.00 N ATOM 580 CA LYS C 39 82.918 11.059 -7.433 1.00 0.00 C ATOM 581 C LYS C 39 82.500 10.655 -6.021 1.00 0.00 C ATOM 582 O LYS C 39 83.076 11.112 -5.033 1.00 0.00 O ATOM 583 CB LYS C 39 81.691 11.583 -8.184 1.00 0.00 C ATOM 584 CG LYS C 39 82.079 11.923 -9.625 1.00 0.00 C ATOM 585 CD LYS C 39 81.098 12.954 -10.188 1.00 0.00 C ATOM 586 CE LYS C 39 81.790 14.316 -10.292 1.00 0.00 C ATOM 587 NZ LYS C 39 81.586 15.075 -9.025 1.00 0.00 N ATOM 0 H LYS C 39 83.195 9.817 -9.106 1.00 0.00 H new ATOM 0 HA LYS C 39 83.673 11.843 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.900 10.833 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.296 12.468 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.095 12.317 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.068 11.022 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS C 39 80.746 12.638 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.222 13.028 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.855 14.181 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.386 14.878 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.056 16.000 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 80.568 15.215 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 81.992 14.540 -8.231 1.00 0.00 H new ATOM 601 N GLU C 40 81.489 9.794 -5.939 1.00 0.00 N ATOM 602 CA GLU C 40 80.994 9.331 -4.644 1.00 0.00 C ATOM 603 C GLU C 40 82.152 9.107 -3.676 1.00 0.00 C ATOM 604 O GLU C 40 82.195 9.684 -2.589 1.00 0.00 O ATOM 605 CB GLU C 40 80.219 8.020 -4.805 1.00 0.00 C ATOM 606 CG GLU C 40 78.738 8.263 -4.512 1.00 0.00 C ATOM 607 CD GLU C 40 78.568 8.669 -3.052 1.00 0.00 C ATOM 608 OE1 GLU C 40 79.507 8.488 -2.294 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.502 9.157 -2.713 1.00 0.00 O ATOM 0 H GLU C 40 81.000 9.405 -6.745 1.00 0.00 H new ATOM 0 HA GLU C 40 80.332 10.099 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.342 7.635 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.616 7.265 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.351 9.045 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.163 7.361 -4.719 1.00 0.00 H new ATOM 616 N LEU C 41 83.088 8.257 -4.085 1.00 0.00 N ATOM 617 CA LEU C 41 84.250 7.950 -3.253 1.00 0.00 C ATOM 618 C LEU C 41 84.731 9.197 -2.514 1.00 0.00 C ATOM 619 O LEU C 41 84.940 9.176 -1.301 1.00 0.00 O ATOM 620 CB LEU C 41 85.393 7.414 -4.121 1.00 0.00 C ATOM 621 CG LEU C 41 85.852 6.050 -3.600 1.00 0.00 C ATOM 622 CD1 LEU C 41 86.590 6.229 -2.273 1.00 0.00 C ATOM 623 CD2 LEU C 41 84.636 5.145 -3.389 1.00 0.00 C ATOM 0 H LEU C 41 83.067 7.770 -4.981 1.00 0.00 H new ATOM 0 HA LEU C 41 83.953 7.195 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU C 41 85.063 7.325 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU C 41 86.227 8.115 -4.112 1.00 0.00 H new ATOM 0 HG LEU C 41 86.522 5.593 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.916 5.257 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU C 41 87.459 6.870 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU C 41 85.922 6.688 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU C 41 84.965 4.174 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU C 41 83.964 5.602 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU C 41 84.112 5.013 -4.336 1.00 0.00 H new ATOM 635 N GLY C 42 84.911 10.283 -3.262 1.00 0.00 N ATOM 636 CA GLY C 42 85.376 11.538 -2.674 1.00 0.00 C ATOM 637 C GLY C 42 84.553 11.909 -1.443 1.00 0.00 C ATOM 638 O GLY C 42 85.098 12.153 -0.366 1.00 0.00 O ATOM 0 H GLY C 42 84.744 10.321 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.427 11.446 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.309 12.336 -3.414 1.00 0.00 H new ATOM 642 N LYS C 43 83.236 11.955 -1.618 1.00 0.00 N ATOM 643 CA LYS C 43 82.340 12.305 -0.517 1.00 0.00 C ATOM 644 C LYS C 43 82.793 11.640 0.779 1.00 0.00 C ATOM 645 O LYS C 43 83.334 12.292 1.672 1.00 0.00 O ATOM 646 CB LYS C 43 80.909 11.863 -0.830 1.00 0.00 C ATOM 647 CG LYS C 43 80.000 13.091 -0.914 1.00 0.00 C ATOM 648 CD LYS C 43 79.138 13.003 -2.175 1.00 0.00 C ATOM 649 CE LYS C 43 79.198 14.333 -2.929 1.00 0.00 C ATOM 650 NZ LYS C 43 79.832 14.122 -4.260 1.00 0.00 N ATOM 0 H LYS C 43 82.767 11.757 -2.502 1.00 0.00 H new ATOM 0 HA LYS C 43 82.369 13.388 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.885 11.315 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.550 11.184 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.365 13.148 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.601 14.000 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.492 12.194 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.107 12.770 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.194 14.738 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS C 43 79.768 15.063 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 79.873 15.026 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 80.796 13.753 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.271 13.439 -4.808 1.00 0.00 H new ATOM 664 N VAL C 44 82.558 10.335 0.874 1.00 0.00 N ATOM 665 CA VAL C 44 82.940 9.587 2.068 1.00 0.00 C ATOM 666 C VAL C 44 84.282 10.075 2.605 1.00 0.00 C ATOM 667 O VAL C 44 84.383 10.526 3.747 1.00 0.00 O ATOM 668 CB VAL C 44 83.042 8.093 1.756 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.249 7.312 3.056 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.752 7.622 1.081 1.00 0.00 C ATOM 0 H VAL C 44 82.110 9.778 0.147 1.00 0.00 H new ATOM 0 HA VAL C 44 82.170 9.750 2.822 1.00 0.00 H new ATOM 0 HB VAL C 44 83.886 7.920 1.089 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.322 6.247 2.833 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.168 7.645 3.538 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.405 7.486 3.723 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.825 6.557 0.859 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.908 7.796 1.748 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.603 8.176 0.154 1.00 0.00 H new ATOM 680 N MET C 45 85.313 9.976 1.772 1.00 0.00 N ATOM 681 CA MET C 45 86.650 10.406 2.175 1.00 0.00 C ATOM 682 C MET C 45 86.598 11.783 2.829 1.00 0.00 C ATOM 683 O MET C 45 87.126 11.987 3.923 1.00 0.00 O ATOM 684 CB MET C 45 87.584 10.466 0.965 1.00 0.00 C ATOM 685 CG MET C 45 87.696 9.077 0.334 1.00 0.00 C ATOM 686 SD MET C 45 89.336 8.389 0.671 1.00 0.00 S ATOM 687 CE MET C 45 89.017 7.869 2.375 1.00 0.00 C ATOM 0 H MET C 45 85.252 9.606 0.823 1.00 0.00 H new ATOM 0 HA MET C 45 87.030 9.678 2.892 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.203 11.179 0.234 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.569 10.818 1.270 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.925 8.420 0.737 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.531 9.140 -0.742 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.726 7.090 2.657 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.131 8.722 3.043 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.002 7.481 2.453 1.00 0.00 H new ATOM 697 N ARG C 46 85.959 12.728 2.145 1.00 0.00 N ATOM 698 CA ARG C 46 85.847 14.089 2.665 1.00 0.00 C ATOM 699 C ARG C 46 85.388 14.072 4.120 1.00 0.00 C ATOM 700 O ARG C 46 85.979 14.726 4.980 1.00 0.00 O ATOM 701 CB ARG C 46 84.847 14.901 1.839 1.00 0.00 C ATOM 702 CG ARG C 46 85.511 15.357 0.537 1.00 0.00 C ATOM 703 CD ARG C 46 84.453 15.942 -0.400 1.00 0.00 C ATOM 704 NE ARG C 46 84.335 15.137 -1.613 1.00 0.00 N ATOM 705 CZ ARG C 46 83.662 15.585 -2.669 1.00 0.00 C ATOM 706 NH1 ARG C 46 83.096 16.760 -2.628 1.00 0.00 N ATOM 707 NH2 ARG C 46 83.569 14.851 -3.744 1.00 0.00 N ATOM 0 H ARG C 46 85.515 12.580 1.239 1.00 0.00 H new ATOM 0 HA ARG C 46 86.832 14.551 2.600 1.00 0.00 H new ATOM 0 HB2 ARG C 46 83.966 14.298 1.619 1.00 0.00 H new ATOM 0 HB3 ARG C 46 84.506 15.766 2.408 1.00 0.00 H new ATOM 0 HG2 ARG C 46 86.276 16.104 0.749 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.011 14.515 0.057 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.491 15.983 0.110 1.00 0.00 H new ATOM 0 HD3 ARG C 46 84.718 16.966 -0.662 1.00 0.00 H new ATOM 0 HE ARG C 46 84.775 14.218 -1.651 1.00 0.00 H new ATOM 0 HH11 ARG C 46 83.170 17.333 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG C 46 82.579 17.106 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.013 13.933 -3.775 1.00 0.00 H new ATOM 0 HH22 ARG C 46 83.053 15.195 -4.553 1.00 0.00 H new ATOM 721 N MET C 47 84.325 13.319 4.385 1.00 0.00 N ATOM 722 CA MET C 47 83.789 13.225 5.740 1.00 0.00 C ATOM 723 C MET C 47 84.811 12.588 6.677 1.00 0.00 C ATOM 724 O MET C 47 84.746 12.754 7.895 1.00 0.00 O ATOM 725 CB MET C 47 82.508 12.388 5.754 1.00 0.00 C ATOM 726 CG MET C 47 81.651 12.744 4.537 1.00 0.00 C ATOM 727 SD MET C 47 79.901 12.519 4.943 1.00 0.00 S ATOM 728 CE MET C 47 80.045 10.866 5.664 1.00 0.00 C ATOM 0 H MET C 47 83.822 12.770 3.688 1.00 0.00 H new ATOM 0 HA MET C 47 83.565 14.235 6.082 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.755 11.326 5.740 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.950 12.574 6.672 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.836 13.776 4.238 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.923 12.113 3.691 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.076 10.368 5.630 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.772 10.284 5.098 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.374 10.948 6.700 1.00 0.00 H new ATOM 738 N LEU C 48 85.757 11.856 6.095 1.00 0.00 N ATOM 739 CA LEU C 48 86.791 11.195 6.889 1.00 0.00 C ATOM 740 C LEU C 48 87.920 12.167 7.214 1.00 0.00 C ATOM 741 O LEU C 48 88.590 12.042 8.239 1.00 0.00 O ATOM 742 CB LEU C 48 87.367 9.997 6.131 1.00 0.00 C ATOM 743 CG LEU C 48 86.668 8.717 6.594 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.192 8.768 6.193 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.333 7.505 5.937 1.00 0.00 C ATOM 0 H LEU C 48 85.830 11.706 5.089 1.00 0.00 H new ATOM 0 HA LEU C 48 86.331 10.851 7.815 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.229 10.132 5.058 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.440 9.923 6.308 1.00 0.00 H new ATOM 0 HG LEU C 48 86.748 8.632 7.678 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.694 7.856 6.523 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.717 9.630 6.661 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.112 8.854 5.109 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.835 6.593 6.267 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.254 7.590 4.853 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.384 7.468 6.222 1.00 0.00 H new ATOM 757 N GLY C 49 88.122 13.139 6.329 1.00 0.00 N ATOM 758 CA GLY C 49 89.174 14.132 6.533 1.00 0.00 C ATOM 759 C GLY C 49 90.048 14.269 5.289 1.00 0.00 C ATOM 760 O GLY C 49 90.993 15.058 5.263 1.00 0.00 O ATOM 0 H GLY C 49 87.579 13.261 5.474 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.727 15.096 6.775 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.790 13.844 7.385 1.00 0.00 H new ATOM 764 N GLN C 50 89.725 13.492 4.259 1.00 0.00 N ATOM 765 CA GLN C 50 90.491 13.536 3.017 1.00 0.00 C ATOM 766 C GLN C 50 89.591 13.944 1.855 1.00 0.00 C ATOM 767 O GLN C 50 88.487 13.424 1.694 1.00 0.00 O ATOM 768 CB GLN C 50 91.105 12.166 2.714 1.00 0.00 C ATOM 769 CG GLN C 50 91.379 11.424 4.025 1.00 0.00 C ATOM 770 CD GLN C 50 92.285 10.228 3.754 1.00 0.00 C ATOM 771 OE1 GLN C 50 91.896 9.083 3.982 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.482 10.426 3.276 1.00 0.00 N ATOM 0 H GLN C 50 88.948 12.832 4.258 1.00 0.00 H new ATOM 0 HA GLN C 50 91.288 14.270 3.139 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.428 11.583 2.089 1.00 0.00 H new ATOM 0 HB3 GLN C 50 92.032 12.288 2.153 1.00 0.00 H new ATOM 0 HG2 GLN C 50 91.850 12.095 4.743 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.441 11.090 4.469 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.805 11.375 3.087 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.095 9.632 3.091 1.00 0.00 H new ATOM 781 N ASN C 51 90.076 14.885 1.049 1.00 0.00 N ATOM 782 CA ASN C 51 89.307 15.361 -0.097 1.00 0.00 C ATOM 783 C ASN C 51 90.007 14.992 -1.400 1.00 0.00 C ATOM 784 O ASN C 51 90.680 15.819 -2.015 1.00 0.00 O ATOM 785 CB ASN C 51 89.140 16.881 -0.037 1.00 0.00 C ATOM 786 CG ASN C 51 87.939 17.297 -0.880 1.00 0.00 C ATOM 787 OD1 ASN C 51 86.961 17.830 -0.357 1.00 0.00 O ATOM 788 ND2 ASN C 51 87.955 17.083 -2.167 1.00 0.00 N ATOM 0 H ASN C 51 90.987 15.329 1.166 1.00 0.00 H new ATOM 0 HA ASN C 51 88.327 14.886 -0.063 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.001 17.201 0.996 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.042 17.371 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN C 51 87.157 17.358 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN C 51 88.766 16.641 -2.600 1.00 0.00 H new ATOM 795 N PRO C 52 89.847 13.744 -1.830 1.00 0.00 N ATOM 796 CA PRO C 52 90.463 13.253 -3.075 1.00 0.00 C ATOM 797 C PRO C 52 89.689 13.684 -4.319 1.00 0.00 C ATOM 798 O PRO C 52 88.488 13.946 -4.262 1.00 0.00 O ATOM 799 CB PRO C 52 90.404 11.742 -2.891 1.00 0.00 C ATOM 800 CG PRO C 52 89.281 11.458 -1.900 1.00 0.00 C ATOM 801 CD PRO C 52 89.042 12.744 -1.102 1.00 0.00 C ATOM 0 HA PRO C 52 91.468 13.645 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.214 11.245 -3.842 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.354 11.362 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.374 11.156 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.553 10.638 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.986 13.015 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.366 12.642 -0.066 1.00 0.00 H new ATOM 809 N THR C 53 90.394 13.756 -5.444 1.00 0.00 N ATOM 810 CA THR C 53 89.771 14.157 -6.701 1.00 0.00 C ATOM 811 C THR C 53 89.334 12.925 -7.486 1.00 0.00 C ATOM 812 O THR C 53 89.577 11.793 -7.069 1.00 0.00 O ATOM 813 CB THR C 53 90.760 14.970 -7.540 1.00 0.00 C ATOM 814 OG1 THR C 53 92.042 14.922 -6.929 1.00 0.00 O ATOM 815 CG2 THR C 53 90.289 16.424 -7.624 1.00 0.00 C ATOM 0 H THR C 53 91.389 13.544 -5.511 1.00 0.00 H new ATOM 0 HA THR C 53 88.898 14.770 -6.477 1.00 0.00 H new ATOM 0 HB THR C 53 90.816 14.551 -8.545 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.416 14.021 -7.023 1.00 0.00 H new ATOM 0 HG21 THR C 53 90.995 17.001 -8.222 1.00 0.00 H new ATOM 0 HG22 THR C 53 89.304 16.461 -8.089 1.00 0.00 H new ATOM 0 HG23 THR C 53 90.233 16.847 -6.621 1.00 0.00 H new ATOM 823 N PRO C 54 88.690 13.133 -8.633 1.00 0.00 N ATOM 824 CA PRO C 54 88.223 12.025 -9.482 1.00 0.00 C ATOM 825 C PRO C 54 89.354 11.417 -10.307 1.00 0.00 C ATOM 826 O PRO C 54 89.155 10.459 -11.055 1.00 0.00 O ATOM 827 CB PRO C 54 87.190 12.707 -10.370 1.00 0.00 C ATOM 828 CG PRO C 54 87.533 14.192 -10.393 1.00 0.00 C ATOM 829 CD PRO C 54 88.392 14.481 -9.157 1.00 0.00 C ATOM 0 HA PRO C 54 87.825 11.186 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.212 12.290 -11.377 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.184 12.550 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.073 14.447 -11.305 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.626 14.796 -10.380 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.302 15.023 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.856 15.088 -8.427 1.00 0.00 H new ATOM 837 N GLU C 55 90.549 11.984 -10.151 1.00 0.00 N ATOM 838 CA GLU C 55 91.717 11.490 -10.869 1.00 0.00 C ATOM 839 C GLU C 55 92.370 10.357 -10.085 1.00 0.00 C ATOM 840 O GLU C 55 92.751 9.330 -10.647 1.00 0.00 O ATOM 841 CB GLU C 55 92.740 12.609 -11.071 1.00 0.00 C ATOM 842 CG GLU C 55 92.113 13.734 -11.895 1.00 0.00 C ATOM 843 CD GLU C 55 93.177 14.368 -12.785 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.052 15.027 -12.249 1.00 0.00 O ATOM 845 OE2 GLU C 55 93.101 14.184 -13.989 1.00 0.00 O ATOM 0 H GLU C 55 90.731 12.779 -9.539 1.00 0.00 H new ATOM 0 HA GLU C 55 91.388 11.126 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.070 12.992 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.623 12.221 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.300 13.342 -12.506 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.682 14.486 -11.234 1.00 0.00 H new ATOM 852 N GLU C 56 92.489 10.556 -8.774 1.00 0.00 N ATOM 853 CA GLU C 56 93.092 9.545 -7.912 1.00 0.00 C ATOM 854 C GLU C 56 92.058 8.492 -7.535 1.00 0.00 C ATOM 855 O GLU C 56 92.313 7.290 -7.617 1.00 0.00 O ATOM 856 CB GLU C 56 93.641 10.186 -6.635 1.00 0.00 C ATOM 857 CG GLU C 56 94.813 11.105 -6.988 1.00 0.00 C ATOM 858 CD GLU C 56 94.318 12.543 -7.098 1.00 0.00 C ATOM 859 OE1 GLU C 56 93.392 12.887 -6.382 1.00 0.00 O ATOM 860 OE2 GLU C 56 94.872 13.279 -7.898 1.00 0.00 O ATOM 0 H GLU C 56 92.179 11.399 -8.290 1.00 0.00 H new ATOM 0 HA GLU C 56 93.910 9.076 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.857 10.755 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.968 9.413 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.588 11.033 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.264 10.791 -7.930 1.00 0.00 H new ATOM 867 N LEU C 57 90.882 8.959 -7.123 1.00 0.00 N ATOM 868 CA LEU C 57 89.807 8.051 -6.738 1.00 0.00 C ATOM 869 C LEU C 57 89.673 6.932 -7.764 1.00 0.00 C ATOM 870 O LEU C 57 89.567 5.758 -7.411 1.00 0.00 O ATOM 871 CB LEU C 57 88.482 8.806 -6.632 1.00 0.00 C ATOM 872 CG LEU C 57 88.441 9.572 -5.310 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.140 10.371 -5.218 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.511 8.579 -4.147 1.00 0.00 C ATOM 0 H LEU C 57 90.651 9.950 -7.048 1.00 0.00 H new ATOM 0 HA LEU C 57 90.051 7.623 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.376 9.496 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.647 8.108 -6.687 1.00 0.00 H new ATOM 0 HG LEU C 57 89.289 10.256 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.114 10.916 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.087 11.077 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.290 9.690 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.482 9.122 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.662 7.897 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.438 8.010 -4.210 1.00 0.00 H new ATOM 886 N GLN C 58 89.689 7.307 -9.041 1.00 0.00 N ATOM 887 CA GLN C 58 89.581 6.319 -10.109 1.00 0.00 C ATOM 888 C GLN C 58 90.513 5.151 -9.814 1.00 0.00 C ATOM 889 O GLN C 58 90.168 3.989 -10.029 1.00 0.00 O ATOM 890 CB GLN C 58 89.956 6.936 -11.460 1.00 0.00 C ATOM 891 CG GLN C 58 90.113 5.829 -12.507 1.00 0.00 C ATOM 892 CD GLN C 58 88.758 5.183 -12.776 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.800 5.865 -13.140 1.00 0.00 O ATOM 894 NE2 GLN C 58 88.619 3.896 -12.617 1.00 0.00 N ATOM 0 H GLN C 58 89.774 8.273 -9.357 1.00 0.00 H new ATOM 0 HA GLN C 58 88.549 5.972 -10.158 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.187 7.641 -11.775 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.885 7.498 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.520 6.243 -13.430 1.00 0.00 H new ATOM 0 HG3 GLN C 58 90.821 5.079 -12.155 1.00 0.00 H new ATOM 0 HE21 GLN C 58 89.413 3.331 -12.315 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.717 3.455 -12.794 1.00 0.00 H new ATOM 903 N GLU C 59 91.697 5.477 -9.299 1.00 0.00 N ATOM 904 CA GLU C 59 92.675 4.452 -8.955 1.00 0.00 C ATOM 905 C GLU C 59 92.058 3.470 -7.967 1.00 0.00 C ATOM 906 O GLU C 59 92.305 2.265 -8.024 1.00 0.00 O ATOM 907 CB GLU C 59 93.915 5.085 -8.321 1.00 0.00 C ATOM 908 CG GLU C 59 95.175 4.516 -8.975 1.00 0.00 C ATOM 909 CD GLU C 59 95.496 5.309 -10.237 1.00 0.00 C ATOM 910 OE1 GLU C 59 94.622 6.020 -10.704 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.611 5.194 -10.718 1.00 0.00 O ATOM 0 H GLU C 59 91.999 6.433 -9.113 1.00 0.00 H new ATOM 0 HA GLU C 59 92.967 3.931 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.886 6.168 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.929 4.887 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU C 59 96.013 4.565 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.027 3.465 -9.221 1.00 0.00 H new ATOM 918 N MET C 60 91.242 4.006 -7.062 1.00 0.00 N ATOM 919 CA MET C 60 90.576 3.179 -6.063 1.00 0.00 C ATOM 920 C MET C 60 89.429 2.408 -6.706 1.00 0.00 C ATOM 921 O MET C 60 88.943 1.417 -6.161 1.00 0.00 O ATOM 922 CB MET C 60 90.027 4.047 -4.926 1.00 0.00 C ATOM 923 CG MET C 60 91.091 5.061 -4.499 1.00 0.00 C ATOM 924 SD MET C 60 91.951 4.452 -3.027 1.00 0.00 S ATOM 925 CE MET C 60 90.997 5.383 -1.804 1.00 0.00 C ATOM 0 H MET C 60 91.028 5.001 -7.001 1.00 0.00 H new ATOM 0 HA MET C 60 91.305 2.479 -5.656 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.126 4.565 -5.253 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.746 3.421 -4.079 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.803 5.220 -5.309 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.627 6.025 -4.289 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.366 5.155 -0.804 1.00 0.00 H new ATOM 0 HE2 MET C 60 91.104 6.451 -1.995 1.00 0.00 H new ATOM 0 HE3 MET C 60 89.945 5.105 -1.875 1.00 0.00 H new ATOM 935 N ILE C 61 89.005 2.875 -7.879 1.00 0.00 N ATOM 936 CA ILE C 61 87.916 2.224 -8.600 1.00 0.00 C ATOM 937 C ILE C 61 88.461 1.115 -9.496 1.00 0.00 C ATOM 938 O ILE C 61 87.805 0.097 -9.718 1.00 0.00 O ATOM 939 CB ILE C 61 87.158 3.237 -9.463 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.892 4.509 -8.654 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.827 2.631 -9.910 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.127 4.160 -7.377 1.00 0.00 C ATOM 0 H ILE C 61 89.395 3.694 -8.346 1.00 0.00 H new ATOM 0 HA ILE C 61 87.234 1.797 -7.864 1.00 0.00 H new ATOM 0 HB ILE C 61 87.759 3.485 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE C 61 87.835 4.995 -8.403 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.317 5.217 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.287 3.352 -10.524 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.015 1.728 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.229 2.381 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.940 5.069 -6.805 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.177 3.694 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.718 3.468 -6.777 1.00 0.00 H new ATOM 954 N ASP C 62 89.671 1.325 -10.009 1.00 0.00 N ATOM 955 CA ASP C 62 90.301 0.337 -10.883 1.00 0.00 C ATOM 956 C ASP C 62 90.574 -0.956 -10.120 1.00 0.00 C ATOM 957 O ASP C 62 90.696 -2.029 -10.711 1.00 0.00 O ATOM 958 CB ASP C 62 91.622 0.875 -11.436 1.00 0.00 C ATOM 959 CG ASP C 62 92.234 -0.152 -12.381 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.563 -0.534 -13.326 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.366 -0.543 -12.147 1.00 0.00 O ATOM 0 H ASP C 62 90.230 2.161 -9.838 1.00 0.00 H new ATOM 0 HA ASP C 62 89.617 0.135 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.452 1.814 -11.963 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.311 1.088 -10.618 1.00 0.00 H new ATOM 966 N GLU C 63 90.670 -0.840 -8.798 1.00 0.00 N ATOM 967 CA GLU C 63 90.931 -2.007 -7.958 1.00 0.00 C ATOM 968 C GLU C 63 89.710 -2.918 -7.915 1.00 0.00 C ATOM 969 O GLU C 63 89.815 -4.108 -7.617 1.00 0.00 O ATOM 970 CB GLU C 63 91.272 -1.576 -6.531 1.00 0.00 C ATOM 971 CG GLU C 63 92.057 -0.263 -6.566 1.00 0.00 C ATOM 972 CD GLU C 63 92.917 -0.150 -5.310 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.817 -0.959 -5.158 1.00 0.00 O ATOM 974 OE2 GLU C 63 92.662 0.744 -4.520 1.00 0.00 O ATOM 0 H GLU C 63 90.572 0.039 -8.289 1.00 0.00 H new ATOM 0 HA GLU C 63 91.775 -2.545 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.358 -1.450 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.860 -2.350 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.687 -0.227 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.371 0.582 -6.627 1.00 0.00 H new ATOM 981 N VAL C 64 88.548 -2.344 -8.207 1.00 0.00 N ATOM 982 CA VAL C 64 87.305 -3.110 -8.191 1.00 0.00 C ATOM 983 C VAL C 64 86.701 -3.184 -9.588 1.00 0.00 C ATOM 984 O VAL C 64 86.121 -4.198 -9.975 1.00 0.00 O ATOM 985 CB VAL C 64 86.296 -2.457 -7.248 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.656 -2.797 -5.802 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.335 -0.939 -7.439 1.00 0.00 C ATOM 0 H VAL C 64 88.440 -1.361 -8.455 1.00 0.00 H new ATOM 0 HA VAL C 64 87.534 -4.118 -7.845 1.00 0.00 H new ATOM 0 HB VAL C 64 85.295 -2.828 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL C 64 85.936 -2.331 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL C 64 86.633 -3.878 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.656 -2.424 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.616 -0.469 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.336 -0.570 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.081 -0.695 -8.471 1.00 0.00 H new ATOM 997 N ASP C 65 86.840 -2.096 -10.339 1.00 0.00 N ATOM 998 CA ASP C 65 86.299 -2.047 -11.694 1.00 0.00 C ATOM 999 C ASP C 65 87.090 -2.961 -12.622 1.00 0.00 C ATOM 1000 O ASP C 65 87.659 -2.516 -13.618 1.00 0.00 O ATOM 1001 CB ASP C 65 86.346 -0.620 -12.241 1.00 0.00 C ATOM 1002 CG ASP C 65 84.985 0.040 -12.052 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.366 -0.206 -11.030 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.581 0.780 -12.933 1.00 0.00 O ATOM 0 H ASP C 65 87.316 -1.246 -10.038 1.00 0.00 H new ATOM 0 HA ASP C 65 85.263 -2.384 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.116 -0.046 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.613 -0.632 -13.298 1.00 0.00 H new ATOM 1009 N GLU C 66 87.114 -4.248 -12.288 1.00 0.00 N ATOM 1010 CA GLU C 66 87.831 -5.223 -13.102 1.00 0.00 C ATOM 1011 C GLU C 66 86.964 -5.657 -14.277 1.00 0.00 C ATOM 1012 O GLU C 66 87.464 -6.105 -15.309 1.00 0.00 O ATOM 1013 CB GLU C 66 88.196 -6.454 -12.270 1.00 0.00 C ATOM 1014 CG GLU C 66 89.533 -6.219 -11.565 1.00 0.00 C ATOM 1015 CD GLU C 66 90.073 -7.547 -11.047 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.730 -8.235 -11.810 1.00 0.00 O ATOM 1017 OE2 GLU C 66 89.820 -7.857 -9.894 1.00 0.00 O ATOM 0 H GLU C 66 86.650 -4.637 -11.467 1.00 0.00 H new ATOM 0 HA GLU C 66 88.744 -4.755 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.416 -6.653 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.261 -7.333 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.246 -5.768 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.403 -5.520 -10.739 1.00 0.00 H new ATOM 1024 N ASP C 67 85.653 -5.516 -14.105 1.00 0.00 N ATOM 1025 CA ASP C 67 84.710 -5.893 -15.154 1.00 0.00 C ATOM 1026 C ASP C 67 84.525 -4.743 -16.138 1.00 0.00 C ATOM 1027 O ASP C 67 84.112 -4.943 -17.280 1.00 0.00 O ATOM 1028 CB ASP C 67 83.351 -6.254 -14.549 1.00 0.00 C ATOM 1029 CG ASP C 67 82.676 -4.993 -14.021 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.913 -4.655 -12.873 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.931 -4.385 -14.772 1.00 0.00 O ATOM 0 H ASP C 67 85.222 -5.147 -13.257 1.00 0.00 H new ATOM 0 HA ASP C 67 85.115 -6.759 -15.677 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.721 -6.728 -15.301 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.481 -6.975 -13.742 1.00 0.00 H new ATOM 1036 N GLY C 68 84.838 -3.534 -15.680 1.00 0.00 N ATOM 1037 CA GLY C 68 84.706 -2.352 -16.527 1.00 0.00 C ATOM 1038 C GLY C 68 83.280 -1.812 -16.490 1.00 0.00 C ATOM 1039 O GLY C 68 82.704 -1.471 -17.523 1.00 0.00 O ATOM 0 H GLY C 68 85.181 -3.348 -14.738 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.400 -1.581 -16.193 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.978 -2.602 -17.552 1.00 0.00 H new ATOM 1043 N SER C 69 82.717 -1.735 -15.287 1.00 0.00 N ATOM 1044 CA SER C 69 81.356 -1.231 -15.125 1.00 0.00 C ATOM 1045 C SER C 69 81.371 0.282 -14.931 1.00 0.00 C ATOM 1046 O SER C 69 80.520 0.998 -15.459 1.00 0.00 O ATOM 1047 CB SER C 69 80.681 -1.881 -13.918 1.00 0.00 C ATOM 1048 OG SER C 69 81.677 -2.397 -13.045 1.00 0.00 O ATOM 0 H SER C 69 83.176 -2.012 -14.419 1.00 0.00 H new ATOM 0 HA SER C 69 80.796 -1.479 -16.027 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.065 -1.150 -13.394 1.00 0.00 H new ATOM 0 HB3 SER C 69 80.017 -2.682 -14.245 1.00 0.00 H new ATOM 0 HG SER C 69 81.248 -2.814 -12.269 1.00 0.00 H new ATOM 1054 N GLY C 70 82.351 0.760 -14.168 1.00 0.00 N ATOM 1055 CA GLY C 70 82.471 2.192 -13.910 1.00 0.00 C ATOM 1056 C GLY C 70 82.113 2.516 -12.463 1.00 0.00 C ATOM 1057 O GLY C 70 82.404 3.603 -11.965 1.00 0.00 O ATOM 0 H GLY C 70 83.066 0.184 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.490 2.519 -14.119 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.815 2.743 -14.583 1.00 0.00 H new ATOM 1061 N THR C 71 81.477 1.558 -11.794 1.00 0.00 N ATOM 1062 CA THR C 71 81.082 1.754 -10.401 1.00 0.00 C ATOM 1063 C THR C 71 81.532 0.575 -9.544 1.00 0.00 C ATOM 1064 O THR C 71 82.180 -0.353 -10.028 1.00 0.00 O ATOM 1065 CB THR C 71 79.563 1.897 -10.289 1.00 0.00 C ATOM 1066 OG1 THR C 71 78.936 0.869 -11.042 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.135 3.262 -10.828 1.00 0.00 C ATOM 0 H THR C 71 81.227 0.650 -12.186 1.00 0.00 H new ATOM 0 HA THR C 71 81.561 2.666 -10.044 1.00 0.00 H new ATOM 0 HB THR C 71 79.266 1.814 -9.243 1.00 0.00 H new ATOM 0 HG1 THR C 71 77.974 1.048 -11.103 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.053 3.362 -10.747 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.616 4.049 -10.248 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.431 3.349 -11.874 1.00 0.00 H new ATOM 1075 N VAL C 72 81.181 0.626 -8.262 1.00 0.00 N ATOM 1076 CA VAL C 72 81.552 -0.439 -7.334 1.00 0.00 C ATOM 1077 C VAL C 72 80.328 -0.921 -6.563 1.00 0.00 C ATOM 1078 O VAL C 72 79.947 -0.341 -5.545 1.00 0.00 O ATOM 1079 CB VAL C 72 82.603 0.065 -6.344 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.388 -1.119 -5.777 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.563 1.012 -7.067 1.00 0.00 C ATOM 0 H VAL C 72 80.645 1.386 -7.844 1.00 0.00 H new ATOM 0 HA VAL C 72 81.964 -1.267 -7.911 1.00 0.00 H new ATOM 0 HB VAL C 72 82.109 0.593 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.136 -0.756 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.705 -1.796 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.883 -1.650 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.314 1.374 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.054 0.480 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.005 1.858 -7.470 1.00 0.00 H new ATOM 1091 N ASP C 73 79.712 -1.989 -7.062 1.00 0.00 N ATOM 1092 CA ASP C 73 78.525 -2.544 -6.417 1.00 0.00 C ATOM 1093 C ASP C 73 78.809 -2.865 -4.951 1.00 0.00 C ATOM 1094 O ASP C 73 79.862 -2.517 -4.416 1.00 0.00 O ATOM 1095 CB ASP C 73 78.073 -3.819 -7.132 1.00 0.00 C ATOM 1096 CG ASP C 73 79.247 -4.785 -7.245 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.637 -5.334 -6.228 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.737 -4.963 -8.348 1.00 0.00 O ATOM 0 H ASP C 73 80.011 -2.484 -7.902 1.00 0.00 H new ATOM 0 HA ASP C 73 77.733 -1.797 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.256 -4.286 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.692 -3.576 -8.124 1.00 0.00 H new ATOM 1103 N PHE C 74 77.850 -3.526 -4.308 1.00 0.00 N ATOM 1104 CA PHE C 74 77.992 -3.887 -2.899 1.00 0.00 C ATOM 1105 C PHE C 74 78.860 -5.135 -2.739 1.00 0.00 C ATOM 1106 O PHE C 74 79.201 -5.530 -1.624 1.00 0.00 O ATOM 1107 CB PHE C 74 76.616 -4.154 -2.283 1.00 0.00 C ATOM 1108 CG PHE C 74 76.774 -4.586 -0.844 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.920 -5.943 -0.532 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.770 -3.629 0.178 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.064 -6.343 0.803 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.914 -4.029 1.512 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.061 -5.386 1.824 1.00 0.00 C ATOM 0 H PHE C 74 76.972 -3.821 -4.736 1.00 0.00 H new ATOM 0 HA PHE C 74 78.472 -3.053 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.003 -3.255 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.098 -4.928 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.922 -6.681 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.656 -2.582 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.177 -7.390 1.044 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.912 -3.291 2.300 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.172 -5.694 2.853 1.00 0.00 H new ATOM 1123 N ASP C 75 79.210 -5.756 -3.863 1.00 0.00 N ATOM 1124 CA ASP C 75 80.034 -6.964 -3.826 1.00 0.00 C ATOM 1125 C ASP C 75 81.518 -6.614 -3.869 1.00 0.00 C ATOM 1126 O ASP C 75 82.211 -6.656 -2.852 1.00 0.00 O ATOM 1127 CB ASP C 75 79.707 -7.872 -5.013 1.00 0.00 C ATOM 1128 CG ASP C 75 78.897 -9.071 -4.530 1.00 0.00 C ATOM 1129 OD1 ASP C 75 79.506 -10.050 -4.131 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.680 -8.992 -4.566 1.00 0.00 O ATOM 0 H ASP C 75 78.941 -5.450 -4.798 1.00 0.00 H new ATOM 0 HA ASP C 75 79.814 -7.483 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.144 -7.318 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.627 -8.210 -5.490 1.00 0.00 H new ATOM 1135 N GLU C 76 82.000 -6.280 -5.063 1.00 0.00 N ATOM 1136 CA GLU C 76 83.410 -5.935 -5.240 1.00 0.00 C ATOM 1137 C GLU C 76 83.899 -5.047 -4.100 1.00 0.00 C ATOM 1138 O GLU C 76 85.007 -5.219 -3.593 1.00 0.00 O ATOM 1139 CB GLU C 76 83.622 -5.202 -6.566 1.00 0.00 C ATOM 1140 CG GLU C 76 82.539 -4.135 -6.741 1.00 0.00 C ATOM 1141 CD GLU C 76 82.591 -3.582 -8.161 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.429 -2.732 -8.415 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.792 -4.016 -8.974 1.00 0.00 O ATOM 0 H GLU C 76 81.442 -6.241 -5.916 1.00 0.00 H new ATOM 0 HA GLU C 76 83.979 -6.865 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.609 -4.739 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.587 -5.910 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.557 -4.563 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.687 -3.330 -6.021 1.00 0.00 H new ATOM 1150 N PHE C 77 83.062 -4.095 -3.700 1.00 0.00 N ATOM 1151 CA PHE C 77 83.426 -3.187 -2.616 1.00 0.00 C ATOM 1152 C PHE C 77 84.090 -3.964 -1.482 1.00 0.00 C ATOM 1153 O PHE C 77 85.288 -3.829 -1.234 1.00 0.00 O ATOM 1154 CB PHE C 77 82.185 -2.469 -2.076 1.00 0.00 C ATOM 1155 CG PHE C 77 82.520 -1.778 -0.774 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.057 -0.485 -0.784 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.295 -2.433 0.443 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.369 0.153 0.423 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.607 -1.795 1.650 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.144 -0.502 1.639 1.00 0.00 C ATOM 0 H PHE C 77 82.139 -3.932 -4.103 1.00 0.00 H new ATOM 0 HA PHE C 77 84.123 -2.448 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.829 -1.740 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.378 -3.185 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.231 0.020 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.881 -3.430 0.451 1.00 0.00 H new ATOM 0 HE1 PHE C 77 83.783 1.150 0.415 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.433 -2.300 2.589 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.385 -0.010 2.570 1.00 0.00 H new ATOM 1170 N LEU C 78 83.293 -4.777 -0.797 1.00 0.00 N ATOM 1171 CA LEU C 78 83.805 -5.575 0.314 1.00 0.00 C ATOM 1172 C LEU C 78 85.067 -6.323 -0.104 1.00 0.00 C ATOM 1173 O LEU C 78 86.160 -6.053 0.393 1.00 0.00 O ATOM 1174 CB LEU C 78 82.753 -6.586 0.775 1.00 0.00 C ATOM 1175 CG LEU C 78 82.067 -6.067 2.039 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.570 -6.381 1.976 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.678 -6.750 3.265 1.00 0.00 C ATOM 0 H LEU C 78 82.299 -4.901 -0.988 1.00 0.00 H new ATOM 0 HA LEU C 78 84.041 -4.898 1.135 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.016 -6.745 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.222 -7.550 0.972 1.00 0.00 H new ATOM 0 HG LEU C 78 82.209 -4.989 2.112 1.00 0.00 H new ATOM 0 HD11 LEU C 78 80.082 -6.011 2.878 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.133 -5.897 1.102 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.427 -7.459 1.903 1.00 0.00 H new ATOM 0 HD21 LEU C 78 82.190 -6.381 4.168 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.535 -7.828 3.190 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.744 -6.528 3.312 1.00 0.00 H new ATOM 1189 N VAL C 79 84.902 -7.271 -1.022 1.00 0.00 N ATOM 1190 CA VAL C 79 86.034 -8.061 -1.502 1.00 0.00 C ATOM 1191 C VAL C 79 87.253 -7.171 -1.733 1.00 0.00 C ATOM 1192 O VAL C 79 88.387 -7.563 -1.457 1.00 0.00 O ATOM 1193 CB VAL C 79 85.677 -8.764 -2.812 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.770 -9.776 -3.162 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.341 -9.493 -2.651 1.00 0.00 C ATOM 0 H VAL C 79 84.005 -7.510 -1.446 1.00 0.00 H new ATOM 0 HA VAL C 79 86.269 -8.805 -0.740 1.00 0.00 H new ATOM 0 HB VAL C 79 85.596 -8.026 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.516 -10.278 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.722 -9.258 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.851 -10.514 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.085 -9.995 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.423 -10.231 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.562 -8.773 -2.401 1.00 0.00 H new ATOM 1205 N MET C 80 87.006 -5.969 -2.247 1.00 0.00 N ATOM 1206 CA MET C 80 88.092 -5.029 -2.518 1.00 0.00 C ATOM 1207 C MET C 80 88.985 -4.872 -1.291 1.00 0.00 C ATOM 1208 O MET C 80 90.204 -5.032 -1.370 1.00 0.00 O ATOM 1209 CB MET C 80 87.532 -3.659 -2.907 1.00 0.00 C ATOM 1210 CG MET C 80 88.628 -2.833 -3.586 1.00 0.00 C ATOM 1211 SD MET C 80 89.692 -2.091 -2.324 1.00 0.00 S ATOM 1212 CE MET C 80 88.896 -0.465 -2.286 1.00 0.00 C ATOM 0 H MET C 80 86.075 -5.625 -2.482 1.00 0.00 H new ATOM 0 HA MET C 80 88.680 -5.428 -3.344 1.00 0.00 H new ATOM 0 HB2 MET C 80 86.683 -3.779 -3.580 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.166 -3.139 -2.022 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.218 -3.466 -4.248 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.181 -2.054 -4.204 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.401 0.171 -1.559 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.957 -0.007 -3.273 1.00 0.00 H new ATOM 0 HE3 MET C 80 87.850 -0.579 -2.003 1.00 0.00 H new ATOM 1222 N MET C 81 88.367 -4.559 -0.156 1.00 0.00 N ATOM 1223 CA MET C 81 89.120 -4.384 1.084 1.00 0.00 C ATOM 1224 C MET C 81 89.730 -5.710 1.523 1.00 0.00 C ATOM 1225 O MET C 81 90.846 -5.758 2.040 1.00 0.00 O ATOM 1226 CB MET C 81 88.209 -3.862 2.197 1.00 0.00 C ATOM 1227 CG MET C 81 88.423 -2.357 2.370 1.00 0.00 C ATOM 1228 SD MET C 81 86.830 -1.505 2.266 1.00 0.00 S ATOM 1229 CE MET C 81 86.688 -1.510 0.462 1.00 0.00 C ATOM 0 H MET C 81 87.360 -4.423 -0.068 1.00 0.00 H new ATOM 0 HA MET C 81 89.913 -3.660 0.898 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.166 -4.066 1.953 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.425 -4.380 3.131 1.00 0.00 H new ATOM 0 HG2 MET C 81 88.894 -2.154 3.332 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.098 -1.984 1.600 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.808 -0.494 0.085 1.00 0.00 H new ATOM 0 HE2 MET C 81 87.463 -2.149 0.038 1.00 0.00 H new ATOM 0 HE3 MET C 81 85.707 -1.890 0.175 1.00 0.00 H new ATOM 1239 N VAL C 82 88.980 -6.787 1.309 1.00 0.00 N ATOM 1240 CA VAL C 82 89.449 -8.118 1.682 1.00 0.00 C ATOM 1241 C VAL C 82 90.586 -8.555 0.765 1.00 0.00 C ATOM 1242 O VAL C 82 91.374 -9.438 1.104 1.00 0.00 O ATOM 1243 CB VAL C 82 88.309 -9.132 1.580 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.863 -10.544 1.781 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.265 -8.835 2.658 1.00 0.00 C ATOM 0 H VAL C 82 88.053 -6.766 0.883 1.00 0.00 H new ATOM 0 HA VAL C 82 89.807 -8.076 2.711 1.00 0.00 H new ATOM 0 HB VAL C 82 87.846 -9.061 0.596 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.051 -11.267 1.708 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.607 -10.756 1.013 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.326 -10.616 2.765 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.452 -9.557 2.586 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.728 -8.907 3.642 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.870 -7.829 2.515 1.00 0.00 H new ATOM 1255 N ARG C 83 90.662 -7.924 -0.403 1.00 0.00 N ATOM 1256 CA ARG C 83 91.707 -8.251 -1.369 1.00 0.00 C ATOM 1257 C ARG C 83 92.989 -7.493 -1.041 1.00 0.00 C ATOM 1258 O ARG C 83 94.090 -8.033 -1.143 1.00 0.00 O ATOM 1259 CB ARG C 83 91.259 -7.887 -2.785 1.00 0.00 C ATOM 1260 CG ARG C 83 91.351 -9.123 -3.683 1.00 0.00 C ATOM 1261 CD ARG C 83 90.157 -9.151 -4.638 1.00 0.00 C ATOM 1262 NE ARG C 83 90.607 -9.147 -6.027 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.316 -10.158 -6.519 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.624 -11.172 -5.756 1.00 0.00 N ATOM 1265 NH2 ARG C 83 91.707 -10.136 -7.764 1.00 0.00 N ATOM 0 H ARG C 83 90.020 -7.190 -0.702 1.00 0.00 H new ATOM 0 HA ARG C 83 91.895 -9.323 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.236 -7.511 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.886 -7.088 -3.182 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.282 -9.106 -4.249 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.365 -10.027 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG C 83 89.554 -10.039 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG C 83 89.518 -8.287 -4.455 1.00 0.00 H new ATOM 0 HE ARG C 83 90.374 -8.357 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG C 83 91.320 -11.188 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG C 83 92.168 -11.948 -6.134 1.00 0.00 H new ATOM 0 HH21 ARG C 83 91.469 -9.343 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG C 83 92.251 -10.912 -8.141 1.00 0.00 H new ATOM 1279 N CYS C 84 92.833 -6.232 -0.646 1.00 0.00 N ATOM 1280 CA CYS C 84 93.985 -5.403 -0.304 1.00 0.00 C ATOM 1281 C CYS C 84 94.481 -5.733 1.100 1.00 0.00 C ATOM 1282 O CYS C 84 95.653 -6.054 1.301 1.00 0.00 O ATOM 1283 CB CYS C 84 93.617 -3.919 -0.366 1.00 0.00 C ATOM 1284 SG CYS C 84 92.807 -3.565 -1.945 1.00 0.00 S ATOM 0 H CYS C 84 91.930 -5.766 -0.555 1.00 0.00 H new ATOM 0 HA CYS C 84 94.774 -5.611 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.954 -3.663 0.461 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.512 -3.306 -0.259 1.00 0.00 H new ATOM 0 HG CYS C 84 91.626 -4.107 -1.958 1.00 0.00 H new ATOM 1290 N MET C 85 93.574 -5.652 2.070 1.00 0.00 N ATOM 1291 CA MET C 85 93.927 -5.946 3.457 1.00 0.00 C ATOM 1292 C MET C 85 94.796 -7.197 3.532 1.00 0.00 C ATOM 1293 O MET C 85 95.749 -7.266 4.309 1.00 0.00 O ATOM 1294 CB MET C 85 92.666 -6.166 4.295 1.00 0.00 C ATOM 1295 CG MET C 85 92.017 -4.818 4.610 1.00 0.00 C ATOM 1296 SD MET C 85 90.973 -4.983 6.079 1.00 0.00 S ATOM 1297 CE MET C 85 89.634 -3.897 5.528 1.00 0.00 C ATOM 0 H MET C 85 92.599 -5.388 1.925 1.00 0.00 H new ATOM 0 HA MET C 85 94.481 -5.094 3.851 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.964 -6.801 3.754 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.918 -6.685 5.220 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.785 -4.063 4.779 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.420 -4.482 3.762 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.455 -3.130 6.281 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.913 -3.424 4.587 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.726 -4.483 5.384 1.00 0.00 H new ATOM 1307 N LYS C 86 94.454 -8.189 2.713 1.00 0.00 N ATOM 1308 CA LYS C 86 95.205 -9.441 2.691 1.00 0.00 C ATOM 1309 C LYS C 86 96.405 -9.331 1.754 1.00 0.00 C ATOM 1310 O LYS C 86 97.492 -9.825 2.054 1.00 0.00 O ATOM 1311 CB LYS C 86 94.311 -10.591 2.222 1.00 0.00 C ATOM 1312 CG LYS C 86 94.223 -11.650 3.322 1.00 0.00 C ATOM 1313 CD LYS C 86 93.218 -12.728 2.911 1.00 0.00 C ATOM 1314 CE LYS C 86 92.573 -13.326 4.162 1.00 0.00 C ATOM 1315 NZ LYS C 86 93.507 -14.310 4.779 1.00 0.00 N ATOM 0 H LYS C 86 93.670 -8.151 2.062 1.00 0.00 H new ATOM 0 HA LYS C 86 95.555 -9.640 3.704 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.316 -10.217 1.982 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.715 -11.031 1.310 1.00 0.00 H new ATOM 0 HG2 LYS C 86 95.203 -12.096 3.491 1.00 0.00 H new ATOM 0 HG3 LYS C 86 93.916 -11.190 4.261 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.453 -12.299 2.264 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.719 -13.509 2.339 1.00 0.00 H new ATOM 0 HE2 LYS C 86 92.336 -12.536 4.875 1.00 0.00 H new ATOM 0 HE3 LYS C 86 91.633 -13.813 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 93.070 -14.717 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.712 -15.069 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.393 -13.831 5.040 1.00 0.00 H new ATOM 1392 N ILE I 148 94.167 0.603 4.554 1.00 0.00 N ATOM 1393 CA ILE I 148 92.718 0.691 4.707 1.00 0.00 C ATOM 1394 C ILE I 148 92.295 0.219 6.094 1.00 0.00 C ATOM 1395 O ILE I 148 92.958 -0.614 6.712 1.00 0.00 O ATOM 1396 CB ILE I 148 92.018 -0.168 3.654 1.00 0.00 C ATOM 1397 CG1 ILE I 148 90.502 -0.007 3.789 1.00 0.00 C ATOM 1398 CG2 ILE I 148 92.393 -1.636 3.861 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.112 1.435 3.460 1.00 0.00 C ATOM 0 HA ILE I 148 92.430 1.734 4.577 1.00 0.00 H new ATOM 0 HB ILE I 148 92.331 0.151 2.660 1.00 0.00 H new ATOM 0 HG12 ILE I 148 89.991 -0.696 3.116 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.187 -0.258 4.802 1.00 0.00 H new ATOM 0 HG21 ILE I 148 91.894 -2.248 3.110 1.00 0.00 H new ATOM 0 HG22 ILE I 148 93.472 -1.753 3.765 1.00 0.00 H new ATOM 0 HG23 ILE I 148 92.080 -1.955 4.855 1.00 0.00 H new ATOM 0 HD11 ILE I 148 89.032 1.551 3.556 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.612 2.114 4.150 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.413 1.669 2.439 1.00 0.00 H new ATOM 1411 N SER I 149 91.182 0.763 6.574 1.00 0.00 N ATOM 1412 CA SER I 149 90.671 0.395 7.891 1.00 0.00 C ATOM 1413 C SER I 149 89.228 0.864 8.051 1.00 0.00 C ATOM 1414 O SER I 149 88.766 1.754 7.337 1.00 0.00 O ATOM 1415 CB SER I 149 91.526 1.026 8.991 1.00 0.00 C ATOM 1416 OG SER I 149 92.550 0.115 9.368 1.00 0.00 O ATOM 0 H SER I 149 90.620 1.454 6.077 1.00 0.00 H new ATOM 0 HA SER I 149 90.712 -0.691 7.978 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.965 1.959 8.637 1.00 0.00 H new ATOM 0 HB3 SER I 149 90.906 1.272 9.853 1.00 0.00 H new ATOM 0 HG SER I 149 92.906 -0.326 8.569 1.00 0.00 H new ATOM 1422 N ALA I 150 88.521 0.252 8.997 1.00 0.00 N ATOM 1423 CA ALA I 150 87.128 0.613 9.245 1.00 0.00 C ATOM 1424 C ALA I 150 87.044 1.750 10.257 1.00 0.00 C ATOM 1425 O ALA I 150 86.096 2.534 10.255 1.00 0.00 O ATOM 1426 CB ALA I 150 86.351 -0.590 9.782 1.00 0.00 C ATOM 0 H ALA I 150 88.884 -0.488 9.598 1.00 0.00 H new ATOM 0 HA ALA I 150 86.691 0.935 8.300 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.315 -0.303 9.961 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.383 -1.399 9.052 1.00 0.00 H new ATOM 0 HB3 ALA I 150 86.801 -0.926 10.716 1.00 0.00 H new ATOM 1432 N ASP I 151 88.050 1.831 11.123 1.00 0.00 N ATOM 1433 CA ASP I 151 88.080 2.878 12.140 1.00 0.00 C ATOM 1434 C ASP I 151 88.192 4.252 11.486 1.00 0.00 C ATOM 1435 O ASP I 151 87.668 5.242 11.995 1.00 0.00 O ATOM 1436 CB ASP I 151 89.268 2.675 13.082 1.00 0.00 C ATOM 1437 CG ASP I 151 88.870 1.729 14.210 1.00 0.00 C ATOM 1438 OD1 ASP I 151 87.931 2.048 14.920 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.510 0.700 14.347 1.00 0.00 O ATOM 0 H ASP I 151 88.846 1.193 11.142 1.00 0.00 H new ATOM 0 HA ASP I 151 87.152 2.821 12.710 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.115 2.265 12.532 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.587 3.633 13.493 1.00 0.00 H new ATOM 1444 N ALA I 152 88.881 4.300 10.348 1.00 0.00 N ATOM 1445 CA ALA I 152 89.056 5.560 9.629 1.00 0.00 C ATOM 1446 C ALA I 152 87.726 6.029 9.051 1.00 0.00 C ATOM 1447 O ALA I 152 87.376 7.207 9.132 1.00 0.00 O ATOM 1448 CB ALA I 152 90.062 5.396 8.488 1.00 0.00 C ATOM 0 H ALA I 152 89.322 3.492 9.908 1.00 0.00 H new ATOM 0 HA ALA I 152 89.430 6.300 10.337 1.00 0.00 H new ATOM 0 HB1 ALA I 152 90.178 6.346 7.966 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.025 5.085 8.894 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.701 4.640 7.791 1.00 0.00 H new ATOM 1454 N MET I 153 86.988 5.091 8.464 1.00 0.00 N ATOM 1455 CA MET I 153 85.694 5.414 7.870 1.00 0.00 C ATOM 1456 C MET I 153 84.608 5.445 8.940 1.00 0.00 C ATOM 1457 O MET I 153 83.556 6.058 8.759 1.00 0.00 O ATOM 1458 CB MET I 153 85.319 4.378 6.808 1.00 0.00 C ATOM 1459 CG MET I 153 85.350 2.978 7.424 1.00 0.00 C ATOM 1460 SD MET I 153 84.550 1.806 6.301 1.00 0.00 S ATOM 1461 CE MET I 153 85.538 2.186 4.833 1.00 0.00 C ATOM 0 H MET I 153 87.260 4.111 8.387 1.00 0.00 H new ATOM 0 HA MET I 153 85.773 6.397 7.406 1.00 0.00 H new ATOM 0 HB2 MET I 153 84.326 4.591 6.413 1.00 0.00 H new ATOM 0 HB3 MET I 153 86.014 4.433 5.970 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.380 2.674 7.610 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.839 2.982 8.387 1.00 0.00 H new ATOM 0 HE1 MET I 153 85.401 1.401 4.089 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.218 3.141 4.416 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.591 2.245 5.108 1.00 0.00 H new ATOM 1471 N MET I 154 84.874 4.776 10.057 1.00 0.00 N ATOM 1472 CA MET I 154 83.911 4.733 11.154 1.00 0.00 C ATOM 1473 C MET I 154 83.499 6.145 11.557 1.00 0.00 C ATOM 1474 O MET I 154 82.450 6.351 12.168 1.00 0.00 O ATOM 1475 CB MET I 154 84.513 4.022 12.367 1.00 0.00 C ATOM 1476 CG MET I 154 83.416 3.250 13.103 1.00 0.00 C ATOM 1477 SD MET I 154 82.797 4.248 14.480 1.00 0.00 S ATOM 1478 CE MET I 154 81.191 3.431 14.650 1.00 0.00 C ATOM 0 H MET I 154 85.738 4.261 10.227 1.00 0.00 H new ATOM 0 HA MET I 154 83.034 4.184 10.811 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.301 3.340 12.048 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.973 4.749 13.037 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.602 3.011 12.418 1.00 0.00 H new ATOM 0 HG3 MET I 154 83.809 2.303 13.474 1.00 0.00 H new ATOM 0 HE1 MET I 154 80.538 4.039 15.276 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.739 3.308 13.666 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.327 2.453 15.111 1.00 0.00 H new ATOM 1488 N GLN I 155 84.338 7.115 11.207 1.00 0.00 N ATOM 1489 CA GLN I 155 84.056 8.509 11.535 1.00 0.00 C ATOM 1490 C GLN I 155 82.800 8.982 10.811 1.00 0.00 C ATOM 1491 O GLN I 155 81.866 9.495 11.427 1.00 0.00 O ATOM 1492 CB GLN I 155 85.229 9.402 11.129 1.00 0.00 C ATOM 1493 CG GLN I 155 85.379 10.539 12.140 1.00 0.00 C ATOM 1494 CD GLN I 155 86.642 11.332 11.827 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.727 11.993 10.792 1.00 0.00 O ATOM 1496 NE2 GLN I 155 87.639 11.305 12.668 1.00 0.00 N ATOM 0 H GLN I 155 85.211 6.964 10.701 1.00 0.00 H new ATOM 0 HA GLN I 155 83.903 8.577 12.612 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.147 8.816 11.085 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.062 9.808 10.131 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.507 11.192 12.101 1.00 0.00 H new ATOM 0 HG3 GLN I 155 85.431 10.136 13.152 1.00 0.00 H new ATOM 0 HE21 GLN I 155 87.568 10.757 13.525 1.00 0.00 H new ATOM 0 HE22 GLN I 155 88.489 11.832 12.468 1.00 0.00 H new ATOM 1505 N ALA I 156 82.789 8.801 9.493 1.00 0.00 N ATOM 1506 CA ALA I 156 81.642 9.210 8.688 1.00 0.00 C ATOM 1507 C ALA I 156 80.387 8.465 9.132 1.00 0.00 C ATOM 1508 O ALA I 156 79.268 8.839 8.780 1.00 0.00 O ATOM 1509 CB ALA I 156 81.895 8.922 7.207 1.00 0.00 C ATOM 0 H ALA I 156 83.552 8.379 8.965 1.00 0.00 H new ATOM 0 HA ALA I 156 81.498 10.281 8.829 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.029 9.233 6.623 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.775 9.473 6.874 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.062 7.854 7.067 1.00 0.00 H new ATOM 1515 N LEU I 157 80.587 7.404 9.909 1.00 0.00 N ATOM 1516 CA LEU I 157 79.465 6.606 10.398 1.00 0.00 C ATOM 1517 C LEU I 157 79.577 6.398 11.905 1.00 0.00 C ATOM 1518 O LEU I 157 79.777 5.279 12.379 1.00 0.00 O ATOM 1519 CB LEU I 157 79.428 5.239 9.706 1.00 0.00 C ATOM 1520 CG LEU I 157 80.823 4.880 9.188 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.949 3.362 9.074 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.033 5.512 7.809 1.00 0.00 C ATOM 0 H LEU I 157 81.505 7.079 10.211 1.00 0.00 H new ATOM 0 HA LEU I 157 78.547 7.148 10.171 1.00 0.00 H new ATOM 0 HB2 LEU I 157 79.083 4.477 10.405 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.718 5.259 8.880 1.00 0.00 H new ATOM 0 HG LEU I 157 81.575 5.257 9.881 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.942 3.106 8.705 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.798 2.910 10.054 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.197 2.985 8.381 1.00 0.00 H new ATOM 0 HD21 LEU I 157 82.026 5.257 7.439 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.280 5.134 7.117 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.942 6.595 7.888 1.00 0.00 H new