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 -169:sc= -5.42! (180deg=-5.6!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.684 K(o=-0.68,f=-0.18) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -8.82! C(o=-8.8!,f=-17!) USER MOD Single : C 17 LYS NZ :NH3+ 173:sc= 0.212 (180deg=-0.204) USER MOD Single : C 18 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1) USER MOD Single : C 21 LYS NZ :NH3+ -162:sc= -0.0871 (180deg=-0.542) USER MOD Single : C 35 CYS SG : rot 180:sc= 0.121 USER MOD Single : C 37 SER OG : rot 180:sc= 0.0425 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.449 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 161:sc= -0.877 (180deg=-2!) USER MOD Single : C 47 MET CE :methyl -156:sc= -0.108 (180deg=-1.47) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : C 51 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.18) USER MOD Single : C 53 THR OG1 : rot 147:sc= -0.0192 USER MOD Single : C 58 GLN : amide:sc= -0.505 K(o=-0.51,f=0.87) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot 133:sc= -0.211 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 84 CYS SG : rot -31:sc= -0.881 USER MOD Single : C 85 MET CE :methyl -167:sc= -0.999 (180deg=-1.27) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 31:sc= 0.15 USER MOD Single : I 153 MET CE :methyl -146:sc= -2.27 (180deg=-7.51!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.538 -15.607 -1.151 1.00 0.00 N ATOM 64 CA TYR C 5 86.565 -14.447 -0.265 1.00 0.00 C ATOM 65 C TYR C 5 85.360 -14.466 0.669 1.00 0.00 C ATOM 66 O TYR C 5 85.425 -13.981 1.798 1.00 0.00 O ATOM 67 CB TYR C 5 86.553 -13.150 -1.076 1.00 0.00 C ATOM 68 CG TYR C 5 87.853 -13.019 -1.830 1.00 0.00 C ATOM 69 CD1 TYR C 5 88.028 -13.693 -3.044 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.886 -12.227 -1.314 1.00 0.00 C ATOM 71 CE1 TYR C 5 89.235 -13.575 -3.744 1.00 0.00 C ATOM 72 CE2 TYR C 5 90.093 -12.108 -2.013 1.00 0.00 C ATOM 73 CZ TYR C 5 90.268 -12.783 -3.228 1.00 0.00 C ATOM 74 OH TYR C 5 91.458 -12.666 -3.916 1.00 0.00 O ATOM 0 HA TYR C 5 87.481 -14.493 0.323 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.714 -13.151 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.416 -12.295 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.231 -14.305 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR C 5 88.752 -11.708 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.369 -14.095 -4.681 1.00 0.00 H new ATOM 0 HE2 TYR C 5 90.889 -11.496 -1.616 1.00 0.00 H new ATOM 0 HH TYR C 5 92.066 -12.079 -3.420 1.00 0.00 H new ATOM 84 N LYS C 6 84.260 -15.040 0.188 1.00 0.00 N ATOM 85 CA LYS C 6 83.047 -15.125 0.995 1.00 0.00 C ATOM 86 C LYS C 6 83.376 -15.717 2.361 1.00 0.00 C ATOM 87 O LYS C 6 82.661 -15.500 3.339 1.00 0.00 O ATOM 88 CB LYS C 6 82.000 -16.003 0.306 1.00 0.00 C ATOM 89 CG LYS C 6 81.319 -15.205 -0.808 1.00 0.00 C ATOM 90 CD LYS C 6 80.623 -13.980 -0.211 1.00 0.00 C ATOM 91 CE LYS C 6 79.278 -13.767 -0.908 1.00 0.00 C ATOM 92 NZ LYS C 6 79.445 -12.795 -2.025 1.00 0.00 N ATOM 0 H LYS C 6 84.184 -15.448 -0.744 1.00 0.00 H new ATOM 0 HA LYS C 6 82.643 -14.120 1.114 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.472 -16.894 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.259 -16.341 1.031 1.00 0.00 H new ATOM 0 HG2 LYS C 6 82.056 -14.892 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.593 -15.832 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.472 -14.120 0.859 1.00 0.00 H new ATOM 0 HD3 LYS C 6 81.251 -13.097 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.900 -14.715 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.542 -13.395 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.531 -12.650 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.787 -11.888 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.134 -13.167 -2.709 1.00 0.00 H new ATOM 106 N ALA C 7 84.482 -16.456 2.416 1.00 0.00 N ATOM 107 CA ALA C 7 84.919 -17.064 3.668 1.00 0.00 C ATOM 108 C ALA C 7 85.644 -16.024 4.511 1.00 0.00 C ATOM 109 O ALA C 7 85.494 -15.975 5.732 1.00 0.00 O ATOM 110 CB ALA C 7 85.863 -18.238 3.400 1.00 0.00 C ATOM 0 H ALA C 7 85.086 -16.646 1.616 1.00 0.00 H new ATOM 0 HA ALA C 7 84.041 -17.432 4.199 1.00 0.00 H new ATOM 0 HB1 ALA C 7 86.176 -18.676 4.347 1.00 0.00 H new ATOM 0 HB2 ALA C 7 85.347 -18.991 2.805 1.00 0.00 H new ATOM 0 HB3 ALA C 7 86.739 -17.884 2.857 1.00 0.00 H new ATOM 116 N ALA C 8 86.422 -15.180 3.836 1.00 0.00 N ATOM 117 CA ALA C 8 87.158 -14.124 4.521 1.00 0.00 C ATOM 118 C ALA C 8 86.180 -13.072 5.026 1.00 0.00 C ATOM 119 O ALA C 8 86.181 -12.711 6.203 1.00 0.00 O ATOM 120 CB ALA C 8 88.161 -13.466 3.573 1.00 0.00 C ATOM 0 H ALA C 8 86.557 -15.207 2.825 1.00 0.00 H new ATOM 0 HA ALA C 8 87.700 -14.563 5.358 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.701 -12.681 4.102 1.00 0.00 H new ATOM 0 HB2 ALA C 8 88.868 -14.214 3.215 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.630 -13.033 2.725 1.00 0.00 H new ATOM 126 N VAL C 9 85.328 -12.598 4.121 1.00 0.00 N ATOM 127 CA VAL C 9 84.325 -11.603 4.482 1.00 0.00 C ATOM 128 C VAL C 9 83.548 -12.087 5.697 1.00 0.00 C ATOM 129 O VAL C 9 83.068 -11.299 6.511 1.00 0.00 O ATOM 130 CB VAL C 9 83.349 -11.392 3.327 1.00 0.00 C ATOM 131 CG1 VAL C 9 84.092 -10.815 2.121 1.00 0.00 C ATOM 132 CG2 VAL C 9 82.725 -12.731 2.947 1.00 0.00 C ATOM 0 H VAL C 9 85.312 -12.884 3.142 1.00 0.00 H new ATOM 0 HA VAL C 9 84.829 -10.663 4.706 1.00 0.00 H new ATOM 0 HB VAL C 9 82.568 -10.696 3.633 1.00 0.00 H new ATOM 0 HG11 VAL C 9 83.392 -10.666 1.299 1.00 0.00 H new ATOM 0 HG12 VAL C 9 84.541 -9.860 2.393 1.00 0.00 H new ATOM 0 HG13 VAL C 9 84.874 -11.508 1.810 1.00 0.00 H new ATOM 0 HG21 VAL C 9 82.027 -12.586 2.122 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.509 -13.424 2.641 1.00 0.00 H new ATOM 0 HG23 VAL C 9 82.193 -13.141 3.805 1.00 0.00 H new ATOM 142 N GLU C 10 83.441 -13.407 5.801 1.00 0.00 N ATOM 143 CA GLU C 10 82.731 -14.030 6.912 1.00 0.00 C ATOM 144 C GLU C 10 83.589 -13.978 8.169 1.00 0.00 C ATOM 145 O GLU C 10 83.099 -13.716 9.267 1.00 0.00 O ATOM 146 CB GLU C 10 82.409 -15.490 6.586 1.00 0.00 C ATOM 147 CG GLU C 10 81.145 -15.555 5.727 1.00 0.00 C ATOM 148 CD GLU C 10 79.931 -15.205 6.580 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.630 -15.963 7.487 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.320 -14.183 6.314 1.00 0.00 O ATOM 0 H GLU C 10 83.836 -14.066 5.130 1.00 0.00 H new ATOM 0 HA GLU C 10 81.802 -13.485 7.077 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.245 -15.948 6.057 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.265 -16.056 7.506 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.226 -14.862 4.889 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.030 -16.553 5.305 1.00 0.00 H new ATOM 157 N GLN C 11 84.883 -14.224 7.988 1.00 0.00 N ATOM 158 CA GLN C 11 85.819 -14.197 9.105 1.00 0.00 C ATOM 159 C GLN C 11 85.554 -12.978 9.974 1.00 0.00 C ATOM 160 O GLN C 11 85.453 -13.072 11.198 1.00 0.00 O ATOM 161 CB GLN C 11 87.254 -14.123 8.590 1.00 0.00 C ATOM 162 CG GLN C 11 87.657 -15.471 7.992 1.00 0.00 C ATOM 163 CD GLN C 11 87.993 -16.445 9.116 1.00 0.00 C ATOM 164 OE1 GLN C 11 87.552 -17.594 9.103 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.756 -16.050 10.099 1.00 0.00 N ATOM 0 H GLN C 11 85.304 -14.443 7.085 1.00 0.00 H new ATOM 0 HA GLN C 11 85.684 -15.108 9.688 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.340 -13.340 7.837 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.929 -13.859 9.404 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.845 -15.868 7.383 1.00 0.00 H new ATOM 0 HG3 GLN C 11 88.517 -15.347 7.335 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.122 -15.098 10.110 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.987 -16.694 10.856 1.00 0.00 H new ATOM 174 N LEU C 12 85.449 -11.827 9.318 1.00 0.00 N ATOM 175 CA LEU C 12 85.201 -10.580 10.027 1.00 0.00 C ATOM 176 C LEU C 12 84.120 -10.778 11.086 1.00 0.00 C ATOM 177 O LEU C 12 83.406 -11.780 11.083 1.00 0.00 O ATOM 178 CB LEU C 12 84.758 -9.488 9.050 1.00 0.00 C ATOM 179 CG LEU C 12 85.783 -9.354 7.918 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.585 -8.015 7.206 1.00 0.00 C ATOM 181 CD2 LEU C 12 87.202 -9.413 8.492 1.00 0.00 C ATOM 0 H LEU C 12 85.531 -11.733 8.306 1.00 0.00 H new ATOM 0 HA LEU C 12 86.129 -10.274 10.511 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.778 -9.732 8.639 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.656 -8.538 9.575 1.00 0.00 H new ATOM 0 HG LEU C 12 85.643 -10.172 7.211 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.314 -7.920 6.401 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.578 -7.969 6.791 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.722 -7.201 7.918 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.926 -9.317 7.683 1.00 0.00 H new ATOM 0 HD22 LEU C 12 87.341 -8.598 9.202 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.350 -10.366 9.000 1.00 0.00 H new ATOM 193 N THR C 13 84.009 -9.812 11.993 1.00 0.00 N ATOM 194 CA THR C 13 83.010 -9.893 13.056 1.00 0.00 C ATOM 195 C THR C 13 81.797 -9.033 12.714 1.00 0.00 C ATOM 196 O THR C 13 81.805 -8.280 11.740 1.00 0.00 O ATOM 197 CB THR C 13 83.599 -9.421 14.387 1.00 0.00 C ATOM 198 OG1 THR C 13 83.763 -8.010 14.357 1.00 0.00 O ATOM 199 CG2 THR C 13 84.956 -10.090 14.613 1.00 0.00 C ATOM 0 H THR C 13 84.590 -8.974 12.015 1.00 0.00 H new ATOM 0 HA THR C 13 82.703 -10.935 13.148 1.00 0.00 H new ATOM 0 HB THR C 13 82.924 -9.691 15.199 1.00 0.00 H new ATOM 0 HG1 THR C 13 84.139 -7.706 15.210 1.00 0.00 H new ATOM 0 HG21 THR C 13 85.374 -9.753 15.561 1.00 0.00 H new ATOM 0 HG22 THR C 13 84.829 -11.172 14.637 1.00 0.00 H new ATOM 0 HG23 THR C 13 85.633 -9.822 13.802 1.00 0.00 H new ATOM 207 N GLU C 14 80.751 -9.157 13.527 1.00 0.00 N ATOM 208 CA GLU C 14 79.529 -8.390 13.304 1.00 0.00 C ATOM 209 C GLU C 14 79.828 -6.894 13.291 1.00 0.00 C ATOM 210 O GLU C 14 79.237 -6.135 12.523 1.00 0.00 O ATOM 211 CB GLU C 14 78.505 -8.683 14.402 1.00 0.00 C ATOM 212 CG GLU C 14 77.216 -9.211 13.770 1.00 0.00 C ATOM 213 CD GLU C 14 77.504 -10.521 13.045 1.00 0.00 C ATOM 214 OE1 GLU C 14 78.158 -11.368 13.630 1.00 0.00 O ATOM 215 OE2 GLU C 14 77.067 -10.657 11.914 1.00 0.00 O ATOM 0 H GLU C 14 80.724 -9.775 14.338 1.00 0.00 H new ATOM 0 HA GLU C 14 79.121 -8.686 12.337 1.00 0.00 H new ATOM 0 HB2 GLU C 14 78.906 -9.416 15.102 1.00 0.00 H new ATOM 0 HB3 GLU C 14 78.298 -7.777 14.972 1.00 0.00 H new ATOM 0 HG2 GLU C 14 76.459 -9.367 14.539 1.00 0.00 H new ATOM 0 HG3 GLU C 14 76.814 -8.477 13.071 1.00 0.00 H new ATOM 222 N GLU C 15 80.752 -6.476 14.153 1.00 0.00 N ATOM 223 CA GLU C 15 81.117 -5.064 14.233 1.00 0.00 C ATOM 224 C GLU C 15 81.501 -4.531 12.855 1.00 0.00 C ATOM 225 O GLU C 15 80.716 -3.843 12.203 1.00 0.00 O ATOM 226 CB GLU C 15 82.289 -4.861 15.196 1.00 0.00 C ATOM 227 CG GLU C 15 81.946 -5.475 16.554 1.00 0.00 C ATOM 228 CD GLU C 15 81.720 -4.363 17.573 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.459 -3.393 17.536 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.812 -4.499 18.376 1.00 0.00 O ATOM 0 H GLU C 15 81.256 -7.085 14.798 1.00 0.00 H new ATOM 0 HA GLU C 15 80.250 -4.516 14.604 1.00 0.00 H new ATOM 0 HB2 GLU C 15 83.189 -5.324 14.793 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.501 -3.798 15.309 1.00 0.00 H new ATOM 0 HG2 GLU C 15 81.052 -6.093 16.470 1.00 0.00 H new ATOM 0 HG3 GLU C 15 82.754 -6.127 16.885 1.00 0.00 H new ATOM 237 N GLN C 16 82.718 -4.848 12.418 1.00 0.00 N ATOM 238 CA GLN C 16 83.182 -4.379 11.111 1.00 0.00 C ATOM 239 C GLN C 16 82.052 -4.475 10.092 1.00 0.00 C ATOM 240 O GLN C 16 81.813 -3.548 9.318 1.00 0.00 O ATOM 241 CB GLN C 16 84.386 -5.184 10.586 1.00 0.00 C ATOM 242 CG GLN C 16 84.750 -6.322 11.545 1.00 0.00 C ATOM 243 CD GLN C 16 85.909 -7.128 10.966 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.089 -8.297 11.304 1.00 0.00 O ATOM 245 NE2 GLN C 16 86.715 -6.568 10.104 1.00 0.00 N ATOM 0 H GLN C 16 83.389 -5.415 12.936 1.00 0.00 H new ATOM 0 HA GLN C 16 83.498 -3.344 11.244 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.153 -5.593 9.603 1.00 0.00 H new ATOM 0 HB3 GLN C 16 85.243 -4.522 10.460 1.00 0.00 H new ATOM 0 HG2 GLN C 16 85.026 -5.917 12.518 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.887 -6.969 11.702 1.00 0.00 H new ATOM 0 HE21 GLN C 16 86.567 -5.599 9.823 1.00 0.00 H new ATOM 0 HE22 GLN C 16 87.492 -7.100 9.712 1.00 0.00 H new ATOM 254 N LYS C 17 81.357 -5.610 10.101 1.00 0.00 N ATOM 255 CA LYS C 17 80.249 -5.821 9.173 1.00 0.00 C ATOM 256 C LYS C 17 79.284 -4.640 9.222 1.00 0.00 C ATOM 257 O LYS C 17 78.853 -4.129 8.188 1.00 0.00 O ATOM 258 CB LYS C 17 79.489 -7.102 9.524 1.00 0.00 C ATOM 259 CG LYS C 17 79.363 -7.980 8.277 1.00 0.00 C ATOM 260 CD LYS C 17 80.286 -9.194 8.408 1.00 0.00 C ATOM 261 CE LYS C 17 79.859 -10.035 9.612 1.00 0.00 C ATOM 262 NZ LYS C 17 78.372 -10.119 9.657 1.00 0.00 N ATOM 0 H LYS C 17 81.538 -6.390 10.733 1.00 0.00 H new ATOM 0 HA LYS C 17 80.664 -5.912 8.169 1.00 0.00 H new ATOM 0 HB2 LYS C 17 80.013 -7.644 10.312 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.500 -6.856 9.910 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.331 -8.307 8.153 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.624 -7.406 7.388 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.245 -9.794 7.499 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.319 -8.867 8.528 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.288 -11.034 9.542 1.00 0.00 H new ATOM 0 HE3 LYS C 17 80.237 -9.590 10.532 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.084 -10.785 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 77.977 -9.179 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 78.015 -10.452 8.739 1.00 0.00 H new ATOM 276 N ASN C 18 78.953 -4.211 10.437 1.00 0.00 N ATOM 277 CA ASN C 18 78.039 -3.086 10.614 1.00 0.00 C ATOM 278 C ASN C 18 78.634 -1.820 10.008 1.00 0.00 C ATOM 279 O ASN C 18 78.201 -1.354 8.955 1.00 0.00 O ATOM 280 CB ASN C 18 77.767 -2.843 12.099 1.00 0.00 C ATOM 281 CG ASN C 18 76.928 -3.986 12.658 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.024 -4.487 11.990 1.00 0.00 O ATOM 283 ND2 ASN C 18 77.177 -4.434 13.858 1.00 0.00 N ATOM 0 H ASN C 18 79.299 -4.620 11.305 1.00 0.00 H new ATOM 0 HA ASN C 18 77.104 -3.330 10.110 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.708 -2.769 12.644 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.245 -1.896 12.233 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.622 -5.199 14.242 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.926 -4.019 14.412 1.00 0.00 H new ATOM 290 N GLU C 19 79.635 -1.269 10.689 1.00 0.00 N ATOM 291 CA GLU C 19 80.289 -0.054 10.212 1.00 0.00 C ATOM 292 C GLU C 19 80.457 -0.104 8.697 1.00 0.00 C ATOM 293 O GLU C 19 80.340 0.912 8.012 1.00 0.00 O ATOM 294 CB GLU C 19 81.664 0.108 10.863 1.00 0.00 C ATOM 295 CG GLU C 19 82.468 -1.182 10.690 1.00 0.00 C ATOM 296 CD GLU C 19 83.826 -1.031 11.367 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.632 -0.262 10.870 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.041 -1.688 12.372 1.00 0.00 O ATOM 0 H GLU C 19 80.008 -1.639 11.563 1.00 0.00 H new ATOM 0 HA GLU C 19 79.661 0.795 10.482 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.196 0.944 10.409 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.551 0.339 11.922 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.925 -2.022 11.124 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.601 -1.401 9.630 1.00 0.00 H new ATOM 305 N PHE C 20 80.726 -1.301 8.183 1.00 0.00 N ATOM 306 CA PHE C 20 80.901 -1.476 6.744 1.00 0.00 C ATOM 307 C PHE C 20 79.590 -1.184 6.021 1.00 0.00 C ATOM 308 O PHE C 20 79.502 -0.259 5.213 1.00 0.00 O ATOM 309 CB PHE C 20 81.343 -2.907 6.425 1.00 0.00 C ATOM 310 CG PHE C 20 82.815 -2.918 6.082 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.351 -1.917 5.262 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.643 -3.931 6.581 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.714 -1.929 4.943 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.007 -3.942 6.262 1.00 0.00 C ATOM 315 CZ PHE C 20 85.542 -2.941 5.442 1.00 0.00 C ATOM 0 H PHE C 20 80.827 -2.154 8.733 1.00 0.00 H new ATOM 0 HA PHE C 20 81.670 -0.782 6.406 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.154 -3.556 7.280 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.762 -3.301 5.591 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.713 -1.136 4.876 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.230 -4.704 7.212 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.127 -1.157 4.311 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.646 -4.722 6.648 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.593 -2.950 5.195 1.00 0.00 H new ATOM 325 N LYS C 21 78.568 -1.978 6.330 1.00 0.00 N ATOM 326 CA LYS C 21 77.259 -1.791 5.713 1.00 0.00 C ATOM 327 C LYS C 21 76.862 -0.320 5.770 1.00 0.00 C ATOM 328 O LYS C 21 76.501 0.280 4.758 1.00 0.00 O ATOM 329 CB LYS C 21 76.203 -2.627 6.438 1.00 0.00 C ATOM 330 CG LYS C 21 76.600 -4.104 6.383 1.00 0.00 C ATOM 331 CD LYS C 21 75.425 -4.928 5.857 1.00 0.00 C ATOM 332 CE LYS C 21 75.475 -4.969 4.329 1.00 0.00 C ATOM 333 NZ LYS C 21 74.704 -3.819 3.776 1.00 0.00 N ATOM 0 H LYS C 21 78.620 -2.749 6.996 1.00 0.00 H new ATOM 0 HA LYS C 21 77.319 -2.114 4.674 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.114 -2.301 7.474 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.227 -2.483 5.973 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.468 -4.235 5.737 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.887 -4.452 7.375 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.467 -5.940 6.260 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.483 -4.491 6.189 1.00 0.00 H new ATOM 0 HE2 LYS C 21 76.509 -4.926 3.987 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.058 -5.908 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 74.476 -4.002 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.823 -3.700 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 75.274 -2.952 3.848 1.00 0.00 H new ATOM 347 N ALA C 22 76.946 0.258 6.966 1.00 0.00 N ATOM 348 CA ALA C 22 76.606 1.666 7.140 1.00 0.00 C ATOM 349 C ALA C 22 77.416 2.511 6.168 1.00 0.00 C ATOM 350 O ALA C 22 76.866 3.299 5.399 1.00 0.00 O ATOM 351 CB ALA C 22 76.906 2.122 8.569 1.00 0.00 C ATOM 0 H ALA C 22 77.242 -0.219 7.817 1.00 0.00 H new ATOM 0 HA ALA C 22 75.541 1.790 6.945 1.00 0.00 H new ATOM 0 HB1 ALA C 22 76.645 3.175 8.677 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.320 1.529 9.271 1.00 0.00 H new ATOM 0 HB3 ALA C 22 77.967 1.988 8.779 1.00 0.00 H new ATOM 357 N ALA C 23 78.732 2.323 6.200 1.00 0.00 N ATOM 358 CA ALA C 23 79.612 3.061 5.304 1.00 0.00 C ATOM 359 C ALA C 23 79.275 2.720 3.858 1.00 0.00 C ATOM 360 O ALA C 23 79.615 3.456 2.931 1.00 0.00 O ATOM 361 CB ALA C 23 81.075 2.712 5.574 1.00 0.00 C ATOM 0 H ALA C 23 79.206 1.675 6.828 1.00 0.00 H new ATOM 0 HA ALA C 23 79.465 4.127 5.479 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.715 3.274 4.894 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.326 2.968 6.603 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.229 1.644 5.418 1.00 0.00 H new ATOM 367 N PHE C 24 78.591 1.592 3.681 1.00 0.00 N ATOM 368 CA PHE C 24 78.194 1.149 2.351 1.00 0.00 C ATOM 369 C PHE C 24 77.121 2.075 1.793 1.00 0.00 C ATOM 370 O PHE C 24 77.064 2.337 0.591 1.00 0.00 O ATOM 371 CB PHE C 24 77.639 -0.276 2.411 1.00 0.00 C ATOM 372 CG PHE C 24 78.265 -1.109 1.320 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.108 -0.738 -0.020 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.000 -2.254 1.649 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.686 -1.512 -1.033 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.579 -3.028 0.636 1.00 0.00 C ATOM 377 CZ PHE C 24 79.422 -2.657 -0.705 1.00 0.00 C ATOM 0 H PHE C 24 78.302 0.973 4.438 1.00 0.00 H new ATOM 0 HA PHE C 24 79.071 1.170 1.704 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.848 -0.718 3.385 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.555 -0.260 2.294 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.541 0.146 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE C 24 79.120 -2.540 2.683 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.564 -1.226 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.147 -3.911 0.889 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.869 -3.254 -1.486 1.00 0.00 H new ATOM 387 N ASP C 25 76.271 2.569 2.688 1.00 0.00 N ATOM 388 CA ASP C 25 75.196 3.471 2.290 1.00 0.00 C ATOM 389 C ASP C 25 75.731 4.886 2.086 1.00 0.00 C ATOM 390 O ASP C 25 74.977 5.808 1.776 1.00 0.00 O ATOM 391 CB ASP C 25 74.098 3.501 3.355 1.00 0.00 C ATOM 392 CG ASP C 25 73.013 2.492 2.995 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.326 1.315 2.919 1.00 0.00 O ATOM 394 OD2 ASP C 25 71.884 2.910 2.799 1.00 0.00 O ATOM 0 H ASP C 25 76.305 2.362 3.686 1.00 0.00 H new ATOM 0 HA ASP C 25 74.781 3.102 1.352 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.518 3.266 4.333 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.671 4.501 3.424 1.00 0.00 H new ATOM 399 N ILE C 26 77.043 5.049 2.251 1.00 0.00 N ATOM 400 CA ILE C 26 77.659 6.361 2.067 1.00 0.00 C ATOM 401 C ILE C 26 78.426 6.392 0.751 1.00 0.00 C ATOM 402 O ILE C 26 78.357 7.362 -0.004 1.00 0.00 O ATOM 403 CB ILE C 26 78.621 6.704 3.208 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.325 5.833 4.431 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.445 8.176 3.581 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.020 6.280 5.087 1.00 0.00 C ATOM 0 H ILE C 26 77.690 4.303 2.507 1.00 0.00 H new ATOM 0 HA ILE C 26 76.857 7.099 2.059 1.00 0.00 H new ATOM 0 HB ILE C 26 79.645 6.518 2.882 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.253 4.787 4.134 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.144 5.905 5.146 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.126 8.430 4.393 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.665 8.800 2.715 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.418 8.350 3.902 1.00 0.00 H new ATOM 0 HD11 ILE C 26 76.817 5.655 5.956 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.108 7.320 5.401 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.202 6.184 4.373 1.00 0.00 H new ATOM 418 N PHE C 27 79.155 5.311 0.483 1.00 0.00 N ATOM 419 CA PHE C 27 79.930 5.211 -0.750 1.00 0.00 C ATOM 420 C PHE C 27 78.995 5.194 -1.953 1.00 0.00 C ATOM 421 O PHE C 27 79.283 5.783 -2.995 1.00 0.00 O ATOM 422 CB PHE C 27 80.768 3.930 -0.756 1.00 0.00 C ATOM 423 CG PHE C 27 81.768 3.972 0.375 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.529 5.126 0.597 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.934 2.854 1.201 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.456 5.162 1.645 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.861 2.890 2.250 1.00 0.00 C ATOM 428 CZ PHE C 27 83.622 4.044 2.471 1.00 0.00 C ATOM 0 H PHE C 27 79.225 4.499 1.097 1.00 0.00 H new ATOM 0 HA PHE C 27 80.592 6.075 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.120 3.060 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.286 3.827 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.401 5.988 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.347 1.964 1.029 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.043 6.052 1.816 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.989 2.028 2.888 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.338 4.072 3.279 1.00 0.00 H new ATOM 438 N VAL C 28 77.867 4.508 -1.792 1.00 0.00 N ATOM 439 CA VAL C 28 76.882 4.411 -2.864 1.00 0.00 C ATOM 440 C VAL C 28 75.640 5.225 -2.514 1.00 0.00 C ATOM 441 O VAL C 28 74.571 5.039 -3.095 1.00 0.00 O ATOM 442 CB VAL C 28 76.482 2.950 -3.089 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.736 2.074 -3.088 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.545 2.491 -1.967 1.00 0.00 C ATOM 0 H VAL C 28 77.614 4.014 -0.936 1.00 0.00 H new ATOM 0 HA VAL C 28 77.329 4.806 -3.776 1.00 0.00 H new ATOM 0 HB VAL C 28 75.971 2.861 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.453 1.034 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL C 28 78.405 2.395 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.245 2.168 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.263 1.451 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.054 2.582 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.650 3.113 -1.963 1.00 0.00 H new ATOM 454 N LEU C 29 75.797 6.127 -1.550 1.00 0.00 N ATOM 455 CA LEU C 29 74.686 6.967 -1.117 1.00 0.00 C ATOM 456 C LEU C 29 74.071 7.699 -2.310 1.00 0.00 C ATOM 457 O LEU C 29 74.744 8.454 -3.010 1.00 0.00 O ATOM 458 CB LEU C 29 75.164 7.974 -0.058 1.00 0.00 C ATOM 459 CG LEU C 29 75.724 9.237 -0.722 1.00 0.00 C ATOM 460 CD1 LEU C 29 74.580 10.206 -1.026 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.717 9.908 0.229 1.00 0.00 C ATOM 0 H LEU C 29 76.675 6.294 -1.058 1.00 0.00 H new ATOM 0 HA LEU C 29 73.921 6.330 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.335 8.240 0.598 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.931 7.515 0.567 1.00 0.00 H new ATOM 0 HG LEU C 29 76.227 8.968 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.979 11.104 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.868 9.728 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.077 10.477 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU C 29 77.118 10.807 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.209 10.177 1.155 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.532 9.219 0.449 1.00 0.00 H new ATOM 473 N GLY C 30 72.782 7.460 -2.533 1.00 0.00 N ATOM 474 CA GLY C 30 72.080 8.096 -3.644 1.00 0.00 C ATOM 475 C GLY C 30 72.094 7.199 -4.878 1.00 0.00 C ATOM 476 O GLY C 30 71.200 7.264 -5.721 1.00 0.00 O ATOM 0 H GLY C 30 72.207 6.837 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.051 8.309 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.550 9.051 -3.878 1.00 0.00 H new ATOM 480 N ALA C 31 73.123 6.361 -4.975 1.00 0.00 N ATOM 481 CA ALA C 31 73.249 5.452 -6.112 1.00 0.00 C ATOM 482 C ALA C 31 71.953 4.676 -6.322 1.00 0.00 C ATOM 483 O ALA C 31 71.079 4.650 -5.456 1.00 0.00 O ATOM 484 CB ALA C 31 74.392 4.462 -5.883 1.00 0.00 C ATOM 0 H ALA C 31 73.874 6.292 -4.289 1.00 0.00 H new ATOM 0 HA ALA C 31 73.461 6.051 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.471 3.793 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.327 5.008 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.193 3.878 -4.984 1.00 0.00 H new ATOM 490 N GLU C 32 71.843 4.044 -7.486 1.00 0.00 N ATOM 491 CA GLU C 32 70.652 3.266 -7.812 1.00 0.00 C ATOM 492 C GLU C 32 70.691 1.911 -7.112 1.00 0.00 C ATOM 493 O GLU C 32 69.715 1.488 -6.492 1.00 0.00 O ATOM 494 CB GLU C 32 70.558 3.046 -9.322 1.00 0.00 C ATOM 495 CG GLU C 32 69.181 3.491 -9.819 1.00 0.00 C ATOM 496 CD GLU C 32 69.052 3.182 -11.306 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.051 3.281 -11.999 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.957 2.851 -11.730 1.00 0.00 O ATOM 0 H GLU C 32 72.557 4.054 -8.214 1.00 0.00 H new ATOM 0 HA GLU C 32 69.780 3.824 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.340 3.610 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.719 1.994 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.398 2.978 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.048 4.559 -9.646 1.00 0.00 H new ATOM 505 N ASP C 33 71.833 1.238 -7.216 1.00 0.00 N ATOM 506 CA ASP C 33 71.996 -0.071 -6.586 1.00 0.00 C ATOM 507 C ASP C 33 72.919 0.038 -5.377 1.00 0.00 C ATOM 508 O ASP C 33 72.465 0.186 -4.242 1.00 0.00 O ATOM 509 CB ASP C 33 72.585 -1.085 -7.573 1.00 0.00 C ATOM 510 CG ASP C 33 73.416 -0.358 -8.626 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.843 0.062 -9.618 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.612 -0.229 -8.423 1.00 0.00 O ATOM 0 H ASP C 33 72.652 1.571 -7.724 1.00 0.00 H new ATOM 0 HA ASP C 33 71.011 -0.414 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.206 -1.806 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.784 -1.647 -8.053 1.00 0.00 H new ATOM 517 N GLY C 34 74.223 -0.035 -5.634 1.00 0.00 N ATOM 518 CA GLY C 34 75.207 0.059 -4.561 1.00 0.00 C ATOM 519 C GLY C 34 76.618 0.116 -5.133 1.00 0.00 C ATOM 520 O GLY C 34 77.515 -0.600 -4.686 1.00 0.00 O ATOM 0 H GLY C 34 74.619 -0.158 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.015 0.949 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.112 -0.800 -3.897 1.00 0.00 H new ATOM 524 N CYS C 35 76.806 0.974 -6.133 1.00 0.00 N ATOM 525 CA CYS C 35 78.114 1.112 -6.763 1.00 0.00 C ATOM 526 C CYS C 35 78.883 2.279 -6.155 1.00 0.00 C ATOM 527 O CYS C 35 78.299 3.196 -5.578 1.00 0.00 O ATOM 528 CB CYS C 35 77.965 1.337 -8.270 1.00 0.00 C ATOM 529 SG CYS C 35 76.757 2.651 -8.572 1.00 0.00 S ATOM 0 H CYS C 35 76.079 1.576 -6.520 1.00 0.00 H new ATOM 0 HA CYS C 35 78.667 0.189 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS C 35 78.927 1.607 -8.704 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.644 0.415 -8.755 1.00 0.00 H new ATOM 0 HG CYS C 35 76.634 2.841 -9.852 1.00 0.00 H new ATOM 535 N ILE C 36 80.206 2.225 -6.283 1.00 0.00 N ATOM 536 CA ILE C 36 81.057 3.277 -5.733 1.00 0.00 C ATOM 537 C ILE C 36 81.885 3.935 -6.832 1.00 0.00 C ATOM 538 O ILE C 36 83.060 3.616 -7.017 1.00 0.00 O ATOM 539 CB ILE C 36 82.007 2.697 -4.685 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.202 1.934 -3.631 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.779 3.833 -4.011 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.131 1.492 -2.500 1.00 0.00 C ATOM 0 H ILE C 36 80.708 1.474 -6.757 1.00 0.00 H new ATOM 0 HA ILE C 36 80.408 4.023 -5.274 1.00 0.00 H new ATOM 0 HB ILE C 36 82.708 2.017 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.407 2.567 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.723 1.065 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.456 3.419 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.354 4.377 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE C 36 82.077 4.513 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.557 0.949 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.910 0.843 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.589 2.369 -2.042 1.00 0.00 H new ATOM 554 N SER C 37 81.266 4.862 -7.554 1.00 0.00 N ATOM 555 CA SER C 37 81.967 5.562 -8.626 1.00 0.00 C ATOM 556 C SER C 37 83.044 6.472 -8.043 1.00 0.00 C ATOM 557 O SER C 37 83.040 6.777 -6.850 1.00 0.00 O ATOM 558 CB SER C 37 80.990 6.404 -9.448 1.00 0.00 C ATOM 559 OG SER C 37 79.703 5.803 -9.408 1.00 0.00 O ATOM 0 H SER C 37 80.295 5.144 -7.421 1.00 0.00 H new ATOM 0 HA SER C 37 82.429 4.816 -9.273 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.943 7.418 -9.051 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.336 6.481 -10.479 1.00 0.00 H new ATOM 0 HG SER C 37 79.074 6.341 -9.933 1.00 0.00 H new ATOM 565 N THR C 38 83.969 6.899 -8.897 1.00 0.00 N ATOM 566 CA THR C 38 85.055 7.772 -8.457 1.00 0.00 C ATOM 567 C THR C 38 84.501 8.998 -7.735 1.00 0.00 C ATOM 568 O THR C 38 84.963 9.360 -6.653 1.00 0.00 O ATOM 569 CB THR C 38 85.888 8.233 -9.654 1.00 0.00 C ATOM 570 OG1 THR C 38 85.195 9.268 -10.339 1.00 0.00 O ATOM 571 CG2 THR C 38 86.117 7.055 -10.602 1.00 0.00 C ATOM 0 H THR C 38 83.990 6.659 -9.888 1.00 0.00 H new ATOM 0 HA THR C 38 85.684 7.204 -7.772 1.00 0.00 H new ATOM 0 HB THR C 38 86.851 8.608 -9.306 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.728 9.566 -11.106 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.711 7.384 -11.455 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.647 6.262 -10.075 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.156 6.678 -10.953 1.00 0.00 H new ATOM 579 N LYS C 39 83.508 9.635 -8.349 1.00 0.00 N ATOM 580 CA LYS C 39 82.898 10.824 -7.758 1.00 0.00 C ATOM 581 C LYS C 39 81.945 10.435 -6.633 1.00 0.00 C ATOM 582 O LYS C 39 81.557 11.267 -5.812 1.00 0.00 O ATOM 583 CB LYS C 39 82.126 11.612 -8.818 1.00 0.00 C ATOM 584 CG LYS C 39 82.772 12.986 -9.003 1.00 0.00 C ATOM 585 CD LYS C 39 82.172 13.674 -10.230 1.00 0.00 C ATOM 586 CE LYS C 39 83.295 14.267 -11.082 1.00 0.00 C ATOM 587 NZ LYS C 39 82.707 15.106 -12.165 1.00 0.00 N ATOM 0 H LYS C 39 83.112 9.353 -9.245 1.00 0.00 H new ATOM 0 HA LYS C 39 83.697 11.446 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.126 11.068 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.085 11.725 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.610 13.598 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.850 12.879 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.596 12.958 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.483 14.460 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.958 14.869 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS C 39 83.899 13.469 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.470 15.510 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 82.091 14.519 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.149 15.876 -11.744 1.00 0.00 H new ATOM 601 N GLU C 40 81.571 9.159 -6.604 1.00 0.00 N ATOM 602 CA GLU C 40 80.660 8.665 -5.574 1.00 0.00 C ATOM 603 C GLU C 40 81.411 8.418 -4.269 1.00 0.00 C ATOM 604 O GLU C 40 80.860 8.577 -3.180 1.00 0.00 O ATOM 605 CB GLU C 40 79.999 7.362 -6.024 1.00 0.00 C ATOM 606 CG GLU C 40 78.507 7.603 -6.262 1.00 0.00 C ATOM 607 CD GLU C 40 77.887 8.217 -5.011 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.411 7.977 -3.936 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.898 8.918 -5.147 1.00 0.00 O ATOM 0 H GLU C 40 81.880 8.454 -7.274 1.00 0.00 H new ATOM 0 HA GLU C 40 79.894 9.423 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.470 6.999 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.137 6.591 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.366 8.267 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.010 6.664 -6.504 1.00 0.00 H new ATOM 616 N LEU C 41 82.677 8.027 -4.392 1.00 0.00 N ATOM 617 CA LEU C 41 83.499 7.761 -3.214 1.00 0.00 C ATOM 618 C LEU C 41 84.086 9.062 -2.673 1.00 0.00 C ATOM 619 O LEU C 41 84.296 9.213 -1.469 1.00 0.00 O ATOM 620 CB LEU C 41 84.642 6.804 -3.563 1.00 0.00 C ATOM 621 CG LEU C 41 85.634 6.747 -2.400 1.00 0.00 C ATOM 622 CD1 LEU C 41 84.876 6.500 -1.096 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.628 5.608 -2.637 1.00 0.00 C ATOM 0 H LEU C 41 83.152 7.888 -5.284 1.00 0.00 H new ATOM 0 HA LEU C 41 82.864 7.304 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.247 5.809 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.147 7.139 -4.469 1.00 0.00 H new ATOM 0 HG LEU C 41 86.173 7.692 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.582 6.459 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.166 7.310 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.338 5.554 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.336 5.565 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.089 4.663 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.168 5.784 -3.568 1.00 0.00 H new ATOM 635 N GLY C 42 84.349 9.998 -3.579 1.00 0.00 N ATOM 636 CA GLY C 42 84.914 11.286 -3.187 1.00 0.00 C ATOM 637 C GLY C 42 84.032 11.971 -2.148 1.00 0.00 C ATOM 638 O GLY C 42 84.477 12.863 -1.425 1.00 0.00 O ATOM 0 H GLY C 42 84.182 9.892 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY C 42 85.915 11.141 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.015 11.926 -4.064 1.00 0.00 H new ATOM 642 N LYS C 43 82.775 11.543 -2.084 1.00 0.00 N ATOM 643 CA LYS C 43 81.830 12.120 -1.131 1.00 0.00 C ATOM 644 C LYS C 43 82.142 11.648 0.285 1.00 0.00 C ATOM 645 O LYS C 43 82.249 12.450 1.213 1.00 0.00 O ATOM 646 CB LYS C 43 80.398 11.713 -1.484 1.00 0.00 C ATOM 647 CG LYS C 43 79.734 12.823 -2.301 1.00 0.00 C ATOM 648 CD LYS C 43 78.734 13.575 -1.420 1.00 0.00 C ATOM 649 CE LYS C 43 77.391 13.684 -2.145 1.00 0.00 C ATOM 650 NZ LYS C 43 76.513 14.647 -1.421 1.00 0.00 N ATOM 0 H LYS C 43 82.389 10.806 -2.674 1.00 0.00 H new ATOM 0 HA LYS C 43 81.924 13.205 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.403 10.783 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.828 11.527 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.489 13.511 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.225 12.398 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.605 13.053 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS C 43 79.115 14.569 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS C 43 77.545 14.017 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS C 43 76.912 12.706 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 75.600 14.722 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 76.356 14.311 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 76.970 15.581 -1.395 1.00 0.00 H new ATOM 664 N VAL C 44 82.283 10.335 0.442 1.00 0.00 N ATOM 665 CA VAL C 44 82.578 9.763 1.754 1.00 0.00 C ATOM 666 C VAL C 44 83.939 10.240 2.251 1.00 0.00 C ATOM 667 O VAL C 44 84.041 10.886 3.294 1.00 0.00 O ATOM 668 CB VAL C 44 82.573 8.235 1.688 1.00 0.00 C ATOM 669 CG1 VAL C 44 82.684 7.666 3.104 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.265 7.761 1.050 1.00 0.00 C ATOM 0 H VAL C 44 82.199 9.653 -0.312 1.00 0.00 H new ATOM 0 HA VAL C 44 81.805 10.095 2.446 1.00 0.00 H new ATOM 0 HB VAL C 44 83.417 7.891 1.090 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.681 6.577 3.060 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.612 8.008 3.562 1.00 0.00 H new ATOM 0 HG13 VAL C 44 81.838 8.007 3.701 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.258 6.672 1.001 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.422 8.103 1.651 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.182 8.170 0.043 1.00 0.00 H new ATOM 680 N MET C 45 84.984 9.917 1.494 1.00 0.00 N ATOM 681 CA MET C 45 86.336 10.323 1.872 1.00 0.00 C ATOM 682 C MET C 45 86.329 11.746 2.415 1.00 0.00 C ATOM 683 O MET C 45 87.035 12.067 3.371 1.00 0.00 O ATOM 684 CB MET C 45 87.273 10.263 0.665 1.00 0.00 C ATOM 685 CG MET C 45 87.381 8.822 0.169 1.00 0.00 C ATOM 686 SD MET C 45 88.984 8.135 0.654 1.00 0.00 S ATOM 687 CE MET C 45 88.621 7.932 2.415 1.00 0.00 C ATOM 0 H MET C 45 84.924 9.383 0.627 1.00 0.00 H new ATOM 0 HA MET C 45 86.689 9.636 2.641 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.897 10.905 -0.132 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.259 10.639 0.939 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.574 8.221 0.588 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.273 8.790 -0.915 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.325 7.225 2.853 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.713 8.894 2.919 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.606 7.555 2.536 1.00 0.00 H new ATOM 697 N ARG C 46 85.521 12.597 1.790 1.00 0.00 N ATOM 698 CA ARG C 46 85.421 13.986 2.207 1.00 0.00 C ATOM 699 C ARG C 46 84.975 14.068 3.666 1.00 0.00 C ATOM 700 O ARG C 46 85.497 14.864 4.446 1.00 0.00 O ATOM 701 CB ARG C 46 84.418 14.722 1.308 1.00 0.00 C ATOM 702 CG ARG C 46 83.923 15.990 2.000 1.00 0.00 C ATOM 703 CD ARG C 46 85.100 16.941 2.227 1.00 0.00 C ATOM 704 NE ARG C 46 84.740 17.991 3.175 1.00 0.00 N ATOM 705 CZ ARG C 46 85.676 18.695 3.805 1.00 0.00 C ATOM 706 NH1 ARG C 46 86.938 18.449 3.579 1.00 0.00 N ATOM 707 NH2 ARG C 46 85.333 19.629 4.649 1.00 0.00 N ATOM 0 H ARG C 46 84.930 12.348 0.997 1.00 0.00 H new ATOM 0 HA ARG C 46 86.399 14.457 2.115 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.888 14.977 0.358 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.575 14.070 1.081 1.00 0.00 H new ATOM 0 HG2 ARG C 46 83.162 16.476 1.390 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.456 15.739 2.952 1.00 0.00 H new ATOM 0 HD2 ARG C 46 85.957 16.383 2.603 1.00 0.00 H new ATOM 0 HD3 ARG C 46 85.401 17.387 1.279 1.00 0.00 H new ATOM 0 HE ARG C 46 83.756 18.188 3.357 1.00 0.00 H new ATOM 0 HH11 ARG C 46 87.205 17.718 2.920 1.00 0.00 H new ATOM 0 HH12 ARG C 46 87.657 18.988 4.061 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.347 19.819 4.826 1.00 0.00 H new ATOM 0 HH22 ARG C 46 86.051 20.169 5.132 1.00 0.00 H new ATOM 721 N MET C 47 84.003 13.235 4.023 1.00 0.00 N ATOM 722 CA MET C 47 83.491 13.220 5.391 1.00 0.00 C ATOM 723 C MET C 47 84.481 12.531 6.325 1.00 0.00 C ATOM 724 O MET C 47 84.382 12.638 7.547 1.00 0.00 O ATOM 725 CB MET C 47 82.155 12.480 5.454 1.00 0.00 C ATOM 726 CG MET C 47 81.313 12.842 4.229 1.00 0.00 C ATOM 727 SD MET C 47 79.556 12.735 4.651 1.00 0.00 S ATOM 728 CE MET C 47 79.571 11.028 5.254 1.00 0.00 C ATOM 0 H MET C 47 83.557 12.568 3.393 1.00 0.00 H new ATOM 0 HA MET C 47 83.351 14.254 5.707 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.324 11.404 5.487 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.622 12.747 6.367 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.556 13.850 3.892 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.542 12.166 3.405 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.570 10.604 5.170 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.266 10.438 4.658 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.885 11.014 6.298 1.00 0.00 H new ATOM 738 N LEU C 48 85.437 11.819 5.736 1.00 0.00 N ATOM 739 CA LEU C 48 86.439 11.112 6.526 1.00 0.00 C ATOM 740 C LEU C 48 87.711 11.947 6.651 1.00 0.00 C ATOM 741 O LEU C 48 88.792 11.423 6.917 1.00 0.00 O ATOM 742 CB LEU C 48 86.781 9.769 5.878 1.00 0.00 C ATOM 743 CG LEU C 48 85.723 8.733 6.267 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.376 9.116 5.648 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.145 7.356 5.752 1.00 0.00 C ATOM 0 H LEU C 48 85.539 11.717 4.726 1.00 0.00 H new ATOM 0 HA LEU C 48 86.023 10.939 7.519 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.821 9.875 4.794 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.767 9.437 6.202 1.00 0.00 H new ATOM 0 HG LEU C 48 85.628 8.704 7.352 1.00 0.00 H new ATOM 0 HD11 LEU C 48 83.624 8.377 5.926 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.073 10.097 6.014 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.470 9.147 4.562 1.00 0.00 H new ATOM 0 HD21 LEU C 48 85.392 6.618 6.029 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.241 7.387 4.667 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.103 7.080 6.193 1.00 0.00 H new ATOM 757 N GLY C 49 87.566 13.256 6.461 1.00 0.00 N ATOM 758 CA GLY C 49 88.707 14.163 6.559 1.00 0.00 C ATOM 759 C GLY C 49 89.656 13.978 5.380 1.00 0.00 C ATOM 760 O GLY C 49 90.806 14.415 5.416 1.00 0.00 O ATOM 0 H GLY C 49 86.679 13.709 6.240 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.355 15.194 6.588 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.241 13.982 7.492 1.00 0.00 H new ATOM 764 N GLN C 50 89.161 13.327 4.331 1.00 0.00 N ATOM 765 CA GLN C 50 89.974 13.091 3.142 1.00 0.00 C ATOM 766 C GLN C 50 89.297 13.684 1.910 1.00 0.00 C ATOM 767 O GLN C 50 88.143 13.380 1.612 1.00 0.00 O ATOM 768 CB GLN C 50 90.184 11.591 2.923 1.00 0.00 C ATOM 769 CG GLN C 50 90.929 10.996 4.120 1.00 0.00 C ATOM 770 CD GLN C 50 92.386 10.748 3.740 1.00 0.00 C ATOM 771 OE1 GLN C 50 92.673 9.970 2.831 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.332 11.369 4.391 1.00 0.00 N ATOM 0 H GLN C 50 88.212 12.957 4.279 1.00 0.00 H new ATOM 0 HA GLN C 50 90.940 13.572 3.294 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.222 11.094 2.797 1.00 0.00 H new ATOM 0 HB3 GLN C 50 90.752 11.423 2.008 1.00 0.00 H new ATOM 0 HG2 GLN C 50 90.874 11.676 4.970 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.458 10.062 4.427 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.094 12.014 5.145 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.309 11.209 4.146 1.00 0.00 H new ATOM 781 N ASN C 51 90.029 14.535 1.198 1.00 0.00 N ATOM 782 CA ASN C 51 89.489 15.168 -0.002 1.00 0.00 C ATOM 783 C ASN C 51 90.244 14.696 -1.240 1.00 0.00 C ATOM 784 O ASN C 51 91.147 15.374 -1.730 1.00 0.00 O ATOM 785 CB ASN C 51 89.601 16.690 0.099 1.00 0.00 C ATOM 786 CG ASN C 51 89.181 17.322 -1.224 1.00 0.00 C ATOM 787 OD1 ASN C 51 89.905 18.146 -1.783 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.043 16.982 -1.762 1.00 0.00 N ATOM 0 H ASN C 51 90.987 14.801 1.427 1.00 0.00 H new ATOM 0 HA ASN C 51 88.440 14.886 -0.087 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.969 17.059 0.907 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.625 16.974 0.341 1.00 0.00 H new ATOM 0 HD21 ASN C 51 87.752 17.399 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN C 51 87.444 16.299 -1.298 1.00 0.00 H new ATOM 795 N PRO C 52 89.876 13.525 -1.752 1.00 0.00 N ATOM 796 CA PRO C 52 90.517 12.944 -2.945 1.00 0.00 C ATOM 797 C PRO C 52 89.985 13.540 -4.246 1.00 0.00 C ATOM 798 O PRO C 52 89.103 14.400 -4.238 1.00 0.00 O ATOM 799 CB PRO C 52 90.141 11.473 -2.827 1.00 0.00 C ATOM 800 CG PRO C 52 88.879 11.402 -1.974 1.00 0.00 C ATOM 801 CD PRO C 52 88.796 12.705 -1.171 1.00 0.00 C ATOM 0 HA PRO C 52 91.590 13.133 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO C 52 89.966 11.040 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO C 52 90.949 10.904 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO C 52 87.997 11.282 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO C 52 88.915 10.541 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.823 13.184 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO C 52 88.949 12.533 -0.106 1.00 0.00 H new ATOM 809 N THR C 53 90.533 13.073 -5.364 1.00 0.00 N ATOM 810 CA THR C 53 90.110 13.564 -6.672 1.00 0.00 C ATOM 811 C THR C 53 89.501 12.432 -7.491 1.00 0.00 C ATOM 812 O THR C 53 89.522 11.271 -7.084 1.00 0.00 O ATOM 813 CB THR C 53 91.302 14.143 -7.437 1.00 0.00 C ATOM 814 OG1 THR C 53 92.504 13.823 -6.751 1.00 0.00 O ATOM 815 CG2 THR C 53 91.160 15.662 -7.538 1.00 0.00 C ATOM 0 H THR C 53 91.264 12.362 -5.392 1.00 0.00 H new ATOM 0 HA THR C 53 89.365 14.344 -6.515 1.00 0.00 H new ATOM 0 HB THR C 53 91.330 13.717 -8.440 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.228 13.699 -7.400 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.010 16.071 -8.083 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.238 15.907 -8.066 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.130 16.092 -6.537 1.00 0.00 H new ATOM 823 N PRO C 54 88.958 12.767 -8.658 1.00 0.00 N ATOM 824 CA PRO C 54 88.340 11.777 -9.556 1.00 0.00 C ATOM 825 C PRO C 54 89.379 11.019 -10.377 1.00 0.00 C ATOM 826 O PRO C 54 89.122 9.924 -10.877 1.00 0.00 O ATOM 827 CB PRO C 54 87.467 12.650 -10.447 1.00 0.00 C ATOM 828 CG PRO C 54 88.063 14.054 -10.416 1.00 0.00 C ATOM 829 CD PRO C 54 88.930 14.155 -9.156 1.00 0.00 C ATOM 0 HA PRO C 54 87.793 11.000 -9.023 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.446 12.262 -11.465 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.438 12.660 -10.088 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.661 14.237 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.274 14.806 -10.401 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.931 14.522 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.499 14.838 -8.424 1.00 0.00 H new ATOM 837 N GLU C 55 90.559 11.618 -10.502 1.00 0.00 N ATOM 838 CA GLU C 55 91.644 10.998 -11.256 1.00 0.00 C ATOM 839 C GLU C 55 92.436 10.051 -10.361 1.00 0.00 C ATOM 840 O GLU C 55 93.077 9.114 -10.836 1.00 0.00 O ATOM 841 CB GLU C 55 92.587 12.068 -11.809 1.00 0.00 C ATOM 842 CG GLU C 55 93.402 12.670 -10.664 1.00 0.00 C ATOM 843 CD GLU C 55 93.654 14.148 -10.941 1.00 0.00 C ATOM 844 OE1 GLU C 55 93.736 14.507 -12.104 1.00 0.00 O ATOM 845 OE2 GLU C 55 93.762 14.899 -9.986 1.00 0.00 O ATOM 0 H GLU C 55 90.788 12.525 -10.095 1.00 0.00 H new ATOM 0 HA GLU C 55 91.207 10.438 -12.082 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.253 11.632 -12.553 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.015 12.848 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU C 55 92.867 12.552 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.350 12.142 -10.561 1.00 0.00 H new ATOM 852 N GLU C 56 92.385 10.308 -9.055 1.00 0.00 N ATOM 853 CA GLU C 56 93.104 9.474 -8.095 1.00 0.00 C ATOM 854 C GLU C 56 92.232 8.307 -7.642 1.00 0.00 C ATOM 855 O GLU C 56 92.715 7.190 -7.453 1.00 0.00 O ATOM 856 CB GLU C 56 93.514 10.298 -6.873 1.00 0.00 C ATOM 857 CG GLU C 56 94.788 11.083 -7.191 1.00 0.00 C ATOM 858 CD GLU C 56 95.148 11.972 -6.007 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.484 11.431 -4.966 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.082 13.181 -6.157 1.00 0.00 O ATOM 0 H GLU C 56 91.860 11.078 -8.641 1.00 0.00 H new ATOM 0 HA GLU C 56 93.997 9.087 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.712 10.982 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.682 9.642 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.607 10.396 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.640 11.691 -8.084 1.00 0.00 H new ATOM 867 N LEU C 57 90.940 8.576 -7.470 1.00 0.00 N ATOM 868 CA LEU C 57 90.007 7.538 -7.039 1.00 0.00 C ATOM 869 C LEU C 57 89.805 6.509 -8.147 1.00 0.00 C ATOM 870 O LEU C 57 89.691 5.311 -7.888 1.00 0.00 O ATOM 871 CB LEU C 57 88.652 8.150 -6.675 1.00 0.00 C ATOM 872 CG LEU C 57 88.756 8.855 -5.323 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.544 9.768 -5.126 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.793 7.810 -4.205 1.00 0.00 C ATOM 0 H LEU C 57 90.519 9.493 -7.620 1.00 0.00 H new ATOM 0 HA LEU C 57 90.431 7.050 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.343 8.859 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.889 7.372 -6.634 1.00 0.00 H new ATOM 0 HG LEU C 57 89.668 9.452 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.620 10.270 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.516 10.513 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.631 9.173 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.867 8.312 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.881 7.213 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.657 7.160 -4.343 1.00 0.00 H new ATOM 886 N GLN C 58 89.759 6.991 -9.385 1.00 0.00 N ATOM 887 CA GLN C 58 89.568 6.107 -10.532 1.00 0.00 C ATOM 888 C GLN C 58 90.416 4.848 -10.383 1.00 0.00 C ATOM 889 O GLN C 58 90.047 3.774 -10.857 1.00 0.00 O ATOM 890 CB GLN C 58 89.956 6.820 -11.829 1.00 0.00 C ATOM 891 CG GLN C 58 89.852 5.845 -13.003 1.00 0.00 C ATOM 892 CD GLN C 58 88.434 5.291 -13.083 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.171 4.171 -12.644 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.494 6.017 -13.624 1.00 0.00 N ATOM 0 H GLN C 58 89.850 7.979 -9.620 1.00 0.00 H new ATOM 0 HA GLN C 58 88.514 5.832 -10.572 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.301 7.676 -11.995 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.972 7.206 -11.753 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.108 6.352 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN C 58 90.565 5.030 -12.877 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.712 6.945 -13.988 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.542 5.657 -13.683 1.00 0.00 H new ATOM 903 N GLU C 59 91.559 4.992 -9.719 1.00 0.00 N ATOM 904 CA GLU C 59 92.456 3.858 -9.513 1.00 0.00 C ATOM 905 C GLU C 59 91.837 2.863 -8.538 1.00 0.00 C ATOM 906 O GLU C 59 91.981 1.650 -8.690 1.00 0.00 O ATOM 907 CB GLU C 59 93.802 4.329 -8.960 1.00 0.00 C ATOM 908 CG GLU C 59 94.706 4.754 -10.119 1.00 0.00 C ATOM 909 CD GLU C 59 95.923 5.493 -9.573 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.837 4.830 -9.113 1.00 0.00 O ATOM 911 OE2 GLU C 59 95.922 6.712 -9.623 1.00 0.00 O ATOM 0 H GLU C 59 91.884 5.872 -9.318 1.00 0.00 H new ATOM 0 HA GLU C 59 92.613 3.374 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.654 5.163 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.274 3.528 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.023 3.879 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.156 5.397 -10.806 1.00 0.00 H new ATOM 918 N MET C 60 91.145 3.390 -7.533 1.00 0.00 N ATOM 919 CA MET C 60 90.504 2.540 -6.537 1.00 0.00 C ATOM 920 C MET C 60 89.502 1.603 -7.205 1.00 0.00 C ATOM 921 O MET C 60 89.416 0.422 -6.869 1.00 0.00 O ATOM 922 CB MET C 60 89.778 3.391 -5.493 1.00 0.00 C ATOM 923 CG MET C 60 90.760 4.389 -4.878 1.00 0.00 C ATOM 924 SD MET C 60 91.284 3.799 -3.249 1.00 0.00 S ATOM 925 CE MET C 60 90.810 5.273 -2.313 1.00 0.00 C ATOM 0 H MET C 60 91.015 4.391 -7.387 1.00 0.00 H new ATOM 0 HA MET C 60 91.279 1.952 -6.045 1.00 0.00 H new ATOM 0 HB2 MET C 60 88.945 3.921 -5.955 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.357 2.752 -4.716 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.626 4.510 -5.528 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.290 5.368 -4.788 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.048 5.127 -1.259 1.00 0.00 H new ATOM 0 HE2 MET C 60 91.357 6.136 -2.692 1.00 0.00 H new ATOM 0 HE3 MET C 60 89.739 5.445 -2.423 1.00 0.00 H new ATOM 935 N ILE C 61 88.749 2.143 -8.161 1.00 0.00 N ATOM 936 CA ILE C 61 87.758 1.343 -8.877 1.00 0.00 C ATOM 937 C ILE C 61 88.455 0.311 -9.762 1.00 0.00 C ATOM 938 O ILE C 61 88.010 -0.829 -9.878 1.00 0.00 O ATOM 939 CB ILE C 61 86.863 2.244 -9.745 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.840 2.983 -8.866 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.105 1.391 -10.767 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.463 3.357 -7.517 1.00 0.00 C ATOM 0 H ILE C 61 88.804 3.118 -8.455 1.00 0.00 H new ATOM 0 HA ILE C 61 87.137 0.829 -8.143 1.00 0.00 H new ATOM 0 HB ILE C 61 87.496 2.968 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.496 3.883 -9.376 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.965 2.352 -8.707 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.472 2.034 -11.379 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.818 0.869 -11.405 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.485 0.663 -10.244 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.725 3.879 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.784 2.452 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.323 4.006 -7.681 1.00 0.00 H new ATOM 954 N ASP C 62 89.556 0.724 -10.383 1.00 0.00 N ATOM 955 CA ASP C 62 90.306 -0.178 -11.254 1.00 0.00 C ATOM 956 C ASP C 62 90.631 -1.475 -10.521 1.00 0.00 C ATOM 957 O ASP C 62 90.637 -2.555 -11.111 1.00 0.00 O ATOM 958 CB ASP C 62 91.613 0.475 -11.707 1.00 0.00 C ATOM 959 CG ASP C 62 91.338 1.403 -12.885 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.230 1.907 -12.971 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.240 1.597 -13.683 1.00 0.00 O ATOM 0 H ASP C 62 89.945 1.663 -10.302 1.00 0.00 H new ATOM 0 HA ASP C 62 89.688 -0.394 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.055 1.036 -10.884 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.334 -0.291 -11.994 1.00 0.00 H new ATOM 966 N GLU C 63 90.901 -1.353 -9.224 1.00 0.00 N ATOM 967 CA GLU C 63 91.226 -2.521 -8.409 1.00 0.00 C ATOM 968 C GLU C 63 90.033 -3.465 -8.336 1.00 0.00 C ATOM 969 O GLU C 63 90.186 -4.687 -8.325 1.00 0.00 O ATOM 970 CB GLU C 63 91.606 -2.101 -6.986 1.00 0.00 C ATOM 971 CG GLU C 63 92.397 -0.792 -7.022 1.00 0.00 C ATOM 972 CD GLU C 63 93.480 -0.876 -8.093 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.191 -0.535 -9.228 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.582 -1.281 -7.762 1.00 0.00 O ATOM 0 H GLU C 63 90.902 -0.467 -8.718 1.00 0.00 H new ATOM 0 HA GLU C 63 92.071 -3.027 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.707 -1.976 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.201 -2.883 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU C 63 91.728 0.043 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.849 -0.602 -6.048 1.00 0.00 H new ATOM 981 N VAL C 64 88.840 -2.882 -8.279 1.00 0.00 N ATOM 982 CA VAL C 64 87.620 -3.677 -8.198 1.00 0.00 C ATOM 983 C VAL C 64 87.045 -3.926 -9.590 1.00 0.00 C ATOM 984 O VAL C 64 86.249 -4.843 -9.795 1.00 0.00 O ATOM 985 CB VAL C 64 86.581 -2.961 -7.325 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.281 -2.336 -6.117 1.00 0.00 C ATOM 987 CG2 VAL C 64 85.877 -1.860 -8.125 1.00 0.00 C ATOM 0 H VAL C 64 88.692 -1.873 -8.287 1.00 0.00 H new ATOM 0 HA VAL C 64 87.866 -4.638 -7.747 1.00 0.00 H new ATOM 0 HB VAL C 64 85.839 -3.687 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.546 -1.826 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.770 -3.117 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.026 -1.618 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.143 -1.362 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.613 -1.133 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.373 -2.301 -8.985 1.00 0.00 H new ATOM 997 N ASP C 65 87.458 -3.096 -10.544 1.00 0.00 N ATOM 998 CA ASP C 65 86.979 -3.231 -11.917 1.00 0.00 C ATOM 999 C ASP C 65 87.835 -4.232 -12.685 1.00 0.00 C ATOM 1000 O ASP C 65 88.545 -3.873 -13.624 1.00 0.00 O ATOM 1001 CB ASP C 65 87.027 -1.882 -12.638 1.00 0.00 C ATOM 1002 CG ASP C 65 85.728 -1.124 -12.387 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.941 -1.586 -11.577 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.539 -0.092 -13.009 1.00 0.00 O ATOM 0 H ASP C 65 88.116 -2.331 -10.395 1.00 0.00 H new ATOM 0 HA ASP C 65 85.949 -3.586 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.876 -1.298 -12.282 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.171 -2.034 -13.708 1.00 0.00 H new ATOM 1009 N GLU C 66 87.757 -5.495 -12.277 1.00 0.00 N ATOM 1010 CA GLU C 66 88.528 -6.545 -12.936 1.00 0.00 C ATOM 1011 C GLU C 66 87.761 -7.088 -14.137 1.00 0.00 C ATOM 1012 O GLU C 66 88.324 -7.761 -15.000 1.00 0.00 O ATOM 1013 CB GLU C 66 88.812 -7.691 -11.964 1.00 0.00 C ATOM 1014 CG GLU C 66 90.164 -7.462 -11.287 1.00 0.00 C ATOM 1015 CD GLU C 66 90.910 -8.787 -11.183 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.296 -9.760 -10.777 1.00 0.00 O ATOM 1017 OE2 GLU C 66 92.085 -8.810 -11.510 1.00 0.00 O ATOM 0 H GLU C 66 87.175 -5.814 -11.503 1.00 0.00 H new ATOM 0 HA GLU C 66 89.472 -6.114 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU C 66 88.023 -7.750 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.817 -8.642 -12.497 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.753 -6.745 -11.859 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.018 -7.035 -10.295 1.00 0.00 H new ATOM 1024 N ASP C 67 86.466 -6.786 -14.180 1.00 0.00 N ATOM 1025 CA ASP C 67 85.621 -7.246 -15.278 1.00 0.00 C ATOM 1026 C ASP C 67 85.601 -6.214 -16.401 1.00 0.00 C ATOM 1027 O ASP C 67 85.376 -6.544 -17.565 1.00 0.00 O ATOM 1028 CB ASP C 67 84.189 -7.475 -14.789 1.00 0.00 C ATOM 1029 CG ASP C 67 83.568 -6.139 -14.393 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.796 -5.710 -13.274 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.873 -5.564 -15.216 1.00 0.00 O ATOM 0 H ASP C 67 85.983 -6.230 -13.475 1.00 0.00 H new ATOM 0 HA ASP C 67 86.033 -8.184 -15.651 1.00 0.00 H new ATOM 0 HB2 ASP C 67 83.596 -7.946 -15.573 1.00 0.00 H new ATOM 0 HB3 ASP C 67 84.188 -8.155 -13.937 1.00 0.00 H new ATOM 1036 N GLY C 68 85.839 -4.957 -16.035 1.00 0.00 N ATOM 1037 CA GLY C 68 85.845 -3.877 -17.018 1.00 0.00 C ATOM 1038 C GLY C 68 84.489 -3.181 -17.062 1.00 0.00 C ATOM 1039 O GLY C 68 84.035 -2.740 -18.118 1.00 0.00 O ATOM 0 H GLY C 68 86.028 -4.663 -15.077 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.622 -3.155 -16.768 1.00 0.00 H new ATOM 0 HA3 GLY C 68 86.087 -4.276 -18.003 1.00 0.00 H new ATOM 1043 N SER C 69 83.848 -3.087 -15.900 1.00 0.00 N ATOM 1044 CA SER C 69 82.541 -2.441 -15.814 1.00 0.00 C ATOM 1045 C SER C 69 82.699 -0.924 -15.820 1.00 0.00 C ATOM 1046 O SER C 69 82.113 -0.227 -16.648 1.00 0.00 O ATOM 1047 CB SER C 69 81.817 -2.864 -14.535 1.00 0.00 C ATOM 1048 OG SER C 69 82.606 -2.503 -13.409 1.00 0.00 O ATOM 0 H SER C 69 84.207 -3.445 -15.015 1.00 0.00 H new ATOM 0 HA SER C 69 81.954 -2.749 -16.679 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.841 -2.382 -14.479 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.642 -3.940 -14.541 1.00 0.00 H new ATOM 0 HG SER C 69 82.040 -2.065 -12.740 1.00 0.00 H new ATOM 1054 N GLY C 70 83.503 -0.420 -14.887 1.00 0.00 N ATOM 1055 CA GLY C 70 83.737 1.018 -14.795 1.00 0.00 C ATOM 1056 C GLY C 70 83.425 1.537 -13.395 1.00 0.00 C ATOM 1057 O GLY C 70 83.908 2.594 -12.989 1.00 0.00 O ATOM 0 H GLY C 70 83.998 -0.979 -14.192 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.775 1.237 -15.044 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.117 1.538 -15.525 1.00 0.00 H new ATOM 1061 N THR C 71 82.611 0.783 -12.661 1.00 0.00 N ATOM 1062 CA THR C 71 82.240 1.183 -11.305 1.00 0.00 C ATOM 1063 C THR C 71 82.277 -0.015 -10.361 1.00 0.00 C ATOM 1064 O THR C 71 82.540 -1.146 -10.774 1.00 0.00 O ATOM 1065 CB THR C 71 80.834 1.788 -11.291 1.00 0.00 C ATOM 1066 OG1 THR C 71 80.051 1.186 -12.312 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.922 3.296 -11.534 1.00 0.00 C ATOM 0 H THR C 71 82.200 -0.096 -12.975 1.00 0.00 H new ATOM 0 HA THR C 71 82.960 1.929 -10.968 1.00 0.00 H new ATOM 0 HB THR C 71 80.370 1.606 -10.322 1.00 0.00 H new ATOM 0 HG1 THR C 71 79.150 1.571 -12.303 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.920 3.725 -11.524 1.00 0.00 H new ATOM 0 HG22 THR C 71 81.522 3.757 -10.749 1.00 0.00 H new ATOM 0 HG23 THR C 71 81.387 3.482 -12.502 1.00 0.00 H new ATOM 1075 N VAL C 72 82.014 0.251 -9.084 1.00 0.00 N ATOM 1076 CA VAL C 72 82.021 -0.802 -8.074 1.00 0.00 C ATOM 1077 C VAL C 72 80.601 -1.256 -7.761 1.00 0.00 C ATOM 1078 O VAL C 72 79.627 -0.652 -8.209 1.00 0.00 O ATOM 1079 CB VAL C 72 82.675 -0.304 -6.787 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.252 -1.491 -6.015 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.799 0.673 -7.136 1.00 0.00 C ATOM 0 H VAL C 72 81.795 1.181 -8.726 1.00 0.00 H new ATOM 0 HA VAL C 72 82.591 -1.641 -8.473 1.00 0.00 H new ATOM 0 HB VAL C 72 81.931 0.201 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL C 72 83.719 -1.135 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.452 -2.189 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.998 -1.996 -6.629 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.268 1.030 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.543 0.167 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.388 1.519 -7.687 1.00 0.00 H new ATOM 1091 N ASP C 73 80.498 -2.330 -6.983 1.00 0.00 N ATOM 1092 CA ASP C 73 79.195 -2.865 -6.600 1.00 0.00 C ATOM 1093 C ASP C 73 79.213 -3.276 -5.129 1.00 0.00 C ATOM 1094 O ASP C 73 80.124 -2.918 -4.383 1.00 0.00 O ATOM 1095 CB ASP C 73 78.829 -4.074 -7.466 1.00 0.00 C ATOM 1096 CG ASP C 73 79.862 -5.180 -7.278 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.463 -5.229 -6.219 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.035 -5.963 -8.196 1.00 0.00 O ATOM 0 H ASP C 73 81.295 -2.844 -6.608 1.00 0.00 H new ATOM 0 HA ASP C 73 78.447 -2.087 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.839 -4.440 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.784 -3.781 -8.515 1.00 0.00 H new ATOM 1103 N PHE C 74 78.196 -4.027 -4.720 1.00 0.00 N ATOM 1104 CA PHE C 74 78.102 -4.476 -3.334 1.00 0.00 C ATOM 1105 C PHE C 74 78.877 -5.776 -3.131 1.00 0.00 C ATOM 1106 O PHE C 74 78.740 -6.441 -2.104 1.00 0.00 O ATOM 1107 CB PHE C 74 76.639 -4.701 -2.943 1.00 0.00 C ATOM 1108 CG PHE C 74 76.556 -5.060 -1.478 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.662 -4.058 -0.505 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.374 -6.393 -1.092 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.585 -4.390 0.853 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.298 -6.725 0.266 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.403 -5.724 1.239 1.00 0.00 C ATOM 0 H PHE C 74 77.432 -4.336 -5.321 1.00 0.00 H new ATOM 0 HA PHE C 74 78.534 -3.699 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.057 -3.801 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.209 -5.499 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.803 -3.029 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.292 -7.166 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.666 -3.617 1.603 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.158 -7.754 0.563 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.344 -5.980 2.286 1.00 0.00 H new ATOM 1123 N ASP C 75 79.685 -6.139 -4.125 1.00 0.00 N ATOM 1124 CA ASP C 75 80.468 -7.372 -4.043 1.00 0.00 C ATOM 1125 C ASP C 75 81.967 -7.090 -4.133 1.00 0.00 C ATOM 1126 O ASP C 75 82.766 -7.703 -3.426 1.00 0.00 O ATOM 1127 CB ASP C 75 80.077 -8.327 -5.171 1.00 0.00 C ATOM 1128 CG ASP C 75 79.056 -9.334 -4.653 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.708 -9.247 -3.487 1.00 0.00 O ATOM 1130 OD2 ASP C 75 78.637 -10.176 -5.429 1.00 0.00 O ATOM 0 H ASP C 75 79.815 -5.606 -4.985 1.00 0.00 H new ATOM 0 HA ASP C 75 80.253 -7.828 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.659 -7.767 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.959 -8.847 -5.544 1.00 0.00 H new ATOM 1135 N GLU C 76 82.347 -6.164 -5.012 1.00 0.00 N ATOM 1136 CA GLU C 76 83.765 -5.834 -5.173 1.00 0.00 C ATOM 1137 C GLU C 76 84.278 -5.086 -3.947 1.00 0.00 C ATOM 1138 O GLU C 76 85.414 -5.278 -3.514 1.00 0.00 O ATOM 1139 CB GLU C 76 84.017 -4.967 -6.415 1.00 0.00 C ATOM 1140 CG GLU C 76 82.867 -5.106 -7.414 1.00 0.00 C ATOM 1141 CD GLU C 76 83.382 -4.847 -8.826 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.043 -5.717 -9.366 1.00 0.00 O ATOM 1143 OE2 GLU C 76 83.107 -3.779 -9.346 1.00 0.00 O ATOM 0 H GLU C 76 81.711 -5.639 -5.612 1.00 0.00 H new ATOM 0 HA GLU C 76 84.297 -6.778 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.125 -3.923 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.954 -5.263 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.436 -6.105 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.073 -4.400 -7.170 1.00 0.00 H new ATOM 1150 N PHE C 77 83.427 -4.226 -3.396 1.00 0.00 N ATOM 1151 CA PHE C 77 83.801 -3.446 -2.220 1.00 0.00 C ATOM 1152 C PHE C 77 84.382 -4.352 -1.137 1.00 0.00 C ATOM 1153 O PHE C 77 85.591 -4.370 -0.905 1.00 0.00 O ATOM 1154 CB PHE C 77 82.583 -2.713 -1.658 1.00 0.00 C ATOM 1155 CG PHE C 77 82.967 -2.007 -0.382 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.457 -0.697 -0.428 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.835 -2.662 0.847 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.814 -0.041 0.756 1.00 0.00 C ATOM 1159 CE2 PHE C 77 83.191 -2.008 2.031 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.681 -0.697 1.986 1.00 0.00 C ATOM 0 H PHE C 77 82.483 -4.052 -3.740 1.00 0.00 H new ATOM 0 HA PHE C 77 84.555 -2.720 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.210 -1.993 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.776 -3.420 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.560 -0.192 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE C 77 82.458 -3.673 0.882 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.192 0.970 0.721 1.00 0.00 H new ATOM 0 HE2 PHE C 77 83.088 -2.514 2.980 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.956 -0.192 2.900 1.00 0.00 H new ATOM 1170 N LEU C 78 83.504 -5.099 -0.474 1.00 0.00 N ATOM 1171 CA LEU C 78 83.936 -6.004 0.588 1.00 0.00 C ATOM 1172 C LEU C 78 85.232 -6.713 0.201 1.00 0.00 C ATOM 1173 O LEU C 78 86.257 -6.570 0.869 1.00 0.00 O ATOM 1174 CB LEU C 78 82.857 -7.052 0.869 1.00 0.00 C ATOM 1175 CG LEU C 78 81.778 -6.443 1.767 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.503 -7.283 1.678 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.274 -6.421 3.215 1.00 0.00 C ATOM 0 H LEU C 78 82.499 -5.097 -0.650 1.00 0.00 H new ATOM 0 HA LEU C 78 84.107 -5.408 1.485 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.416 -7.395 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.298 -7.924 1.352 1.00 0.00 H new ATOM 0 HG LEU C 78 81.565 -5.426 1.439 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.735 -6.848 2.318 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.149 -7.299 0.647 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.714 -8.301 2.005 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.506 -5.987 3.856 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.487 -7.439 3.542 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.182 -5.821 3.280 1.00 0.00 H new ATOM 1189 N VAL C 79 85.176 -7.482 -0.883 1.00 0.00 N ATOM 1190 CA VAL C 79 86.352 -8.213 -1.348 1.00 0.00 C ATOM 1191 C VAL C 79 87.550 -7.278 -1.482 1.00 0.00 C ATOM 1192 O VAL C 79 88.576 -7.463 -0.827 1.00 0.00 O ATOM 1193 CB VAL C 79 86.080 -8.866 -2.704 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.344 -9.577 -3.189 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.947 -9.885 -2.560 1.00 0.00 C ATOM 0 H VAL C 79 84.339 -7.615 -1.451 1.00 0.00 H new ATOM 0 HA VAL C 79 86.574 -8.984 -0.611 1.00 0.00 H new ATOM 0 HB VAL C 79 85.793 -8.101 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.151 -10.043 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.153 -8.853 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.630 -10.343 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.752 -10.351 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.235 -10.650 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.046 -9.380 -2.212 1.00 0.00 H new ATOM 1205 N MET C 80 87.408 -6.274 -2.344 1.00 0.00 N ATOM 1206 CA MET C 80 88.485 -5.311 -2.567 1.00 0.00 C ATOM 1207 C MET C 80 89.230 -5.024 -1.267 1.00 0.00 C ATOM 1208 O MET C 80 90.455 -5.117 -1.203 1.00 0.00 O ATOM 1209 CB MET C 80 87.923 -3.999 -3.117 1.00 0.00 C ATOM 1210 CG MET C 80 89.061 -2.995 -3.308 1.00 0.00 C ATOM 1211 SD MET C 80 89.321 -2.078 -1.770 1.00 0.00 S ATOM 1212 CE MET C 80 88.955 -0.433 -2.427 1.00 0.00 C ATOM 0 H MET C 80 86.566 -6.106 -2.895 1.00 0.00 H new ATOM 0 HA MET C 80 89.175 -5.745 -3.290 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.418 -4.177 -4.067 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.179 -3.594 -2.431 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.975 -3.515 -3.593 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.821 -2.307 -4.118 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.056 0.307 -1.633 1.00 0.00 H new ATOM 0 HE2 MET C 80 89.652 -0.199 -3.232 1.00 0.00 H new ATOM 0 HE3 MET C 80 87.936 -0.414 -2.813 1.00 0.00 H new ATOM 1222 N MET C 81 88.474 -4.672 -0.231 1.00 0.00 N ATOM 1223 CA MET C 81 89.070 -4.369 1.068 1.00 0.00 C ATOM 1224 C MET C 81 89.952 -5.524 1.535 1.00 0.00 C ATOM 1225 O MET C 81 91.145 -5.352 1.783 1.00 0.00 O ATOM 1226 CB MET C 81 87.980 -4.120 2.112 1.00 0.00 C ATOM 1227 CG MET C 81 88.108 -2.694 2.653 1.00 0.00 C ATOM 1228 SD MET C 81 86.668 -1.724 2.142 1.00 0.00 S ATOM 1229 CE MET C 81 86.984 -1.773 0.361 1.00 0.00 C ATOM 0 H MET C 81 87.458 -4.590 -0.263 1.00 0.00 H new ATOM 0 HA MET C 81 89.678 -3.471 0.957 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.996 -4.265 1.667 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.070 -4.839 2.926 1.00 0.00 H new ATOM 0 HG2 MET C 81 88.181 -2.711 3.740 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.022 -2.232 2.279 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.322 -1.070 -0.145 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.021 -1.499 0.168 1.00 0.00 H new ATOM 0 HE3 MET C 81 86.799 -2.780 -0.014 1.00 0.00 H new ATOM 1239 N VAL C 82 89.352 -6.704 1.656 1.00 0.00 N ATOM 1240 CA VAL C 82 90.095 -7.881 2.098 1.00 0.00 C ATOM 1241 C VAL C 82 91.307 -8.119 1.201 1.00 0.00 C ATOM 1242 O VAL C 82 92.276 -8.765 1.600 1.00 0.00 O ATOM 1243 CB VAL C 82 89.203 -9.122 2.068 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.795 -10.196 2.981 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.802 -8.754 2.558 1.00 0.00 C ATOM 0 H VAL C 82 88.366 -6.871 1.457 1.00 0.00 H new ATOM 0 HA VAL C 82 90.430 -7.699 3.119 1.00 0.00 H new ATOM 0 HB VAL C 82 89.144 -9.503 1.048 1.00 0.00 H new ATOM 0 HG11 VAL C 82 89.160 -11.082 2.960 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.794 -10.458 2.634 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.853 -9.815 4.001 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.165 -9.638 2.537 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.861 -8.374 3.578 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.379 -7.987 1.909 1.00 0.00 H new ATOM 1255 N ARG C 83 91.240 -7.590 -0.017 1.00 0.00 N ATOM 1256 CA ARG C 83 92.338 -7.752 -0.966 1.00 0.00 C ATOM 1257 C ARG C 83 93.446 -6.743 -0.678 1.00 0.00 C ATOM 1258 O ARG C 83 94.630 -7.041 -0.834 1.00 0.00 O ATOM 1259 CB ARG C 83 91.843 -7.555 -2.401 1.00 0.00 C ATOM 1260 CG ARG C 83 92.333 -8.714 -3.272 1.00 0.00 C ATOM 1261 CD ARG C 83 91.966 -8.445 -4.733 1.00 0.00 C ATOM 1262 NE ARG C 83 92.357 -9.572 -5.577 1.00 0.00 N ATOM 1263 CZ ARG C 83 93.627 -9.757 -5.927 1.00 0.00 C ATOM 1264 NH1 ARG C 83 94.546 -8.924 -5.520 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.955 -10.774 -6.678 1.00 0.00 N ATOM 0 H ARG C 83 90.448 -7.052 -0.368 1.00 0.00 H new ATOM 0 HA ARG C 83 92.730 -8.763 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.754 -7.508 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.210 -6.608 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.413 -8.827 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.882 -9.649 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.893 -8.275 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG C 83 92.461 -7.537 -5.077 1.00 0.00 H new ATOM 0 HE ARG C 83 91.646 -10.226 -5.903 1.00 0.00 H new ATOM 0 HH11 ARG C 83 94.291 -8.130 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG C 83 95.519 -9.067 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.238 -11.426 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG C 83 94.929 -10.916 -6.947 1.00 0.00 H new ATOM 1279 N CYS C 84 93.049 -5.546 -0.254 1.00 0.00 N ATOM 1280 CA CYS C 84 94.019 -4.499 0.056 1.00 0.00 C ATOM 1281 C CYS C 84 94.561 -4.682 1.469 1.00 0.00 C ATOM 1282 O CYS C 84 95.607 -4.138 1.825 1.00 0.00 O ATOM 1283 CB CYS C 84 93.377 -3.114 -0.061 1.00 0.00 C ATOM 1284 SG CYS C 84 92.201 -2.873 1.295 1.00 0.00 S ATOM 0 H CYS C 84 92.074 -5.278 -0.118 1.00 0.00 H new ATOM 0 HA CYS C 84 94.837 -4.575 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.146 -2.342 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.867 -3.018 -1.020 1.00 0.00 H new ATOM 0 HG CYS C 84 91.677 -4.017 1.623 1.00 0.00 H new ATOM 1290 N MET C 85 93.839 -5.461 2.270 1.00 0.00 N ATOM 1291 CA MET C 85 94.257 -5.718 3.646 1.00 0.00 C ATOM 1292 C MET C 85 95.403 -6.723 3.668 1.00 0.00 C ATOM 1293 O MET C 85 96.527 -6.396 4.050 1.00 0.00 O ATOM 1294 CB MET C 85 93.091 -6.273 4.467 1.00 0.00 C ATOM 1295 CG MET C 85 91.869 -5.370 4.297 1.00 0.00 C ATOM 1296 SD MET C 85 91.499 -4.555 5.870 1.00 0.00 S ATOM 1297 CE MET C 85 89.999 -3.696 5.332 1.00 0.00 C ATOM 0 H MET C 85 92.971 -5.921 1.995 1.00 0.00 H new ATOM 0 HA MET C 85 94.587 -4.775 4.082 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.855 -7.287 4.143 1.00 0.00 H new ATOM 0 HB3 MET C 85 93.369 -6.331 5.519 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.059 -4.625 3.525 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.012 -5.958 3.969 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.723 -2.947 6.074 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.183 -3.208 4.375 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.187 -4.415 5.223 1.00 0.00 H new ATOM 1307 N LYS C 86 95.105 -7.951 3.253 1.00 0.00 N ATOM 1308 CA LYS C 86 96.117 -9.004 3.226 1.00 0.00 C ATOM 1309 C LYS C 86 97.299 -8.587 2.355 1.00 0.00 C ATOM 1310 O LYS C 86 98.457 -8.731 2.746 1.00 0.00 O ATOM 1311 CB LYS C 86 95.525 -10.301 2.668 1.00 0.00 C ATOM 1312 CG LYS C 86 94.847 -11.082 3.796 1.00 0.00 C ATOM 1313 CD LYS C 86 94.512 -12.494 3.310 1.00 0.00 C ATOM 1314 CE LYS C 86 93.495 -13.134 4.257 1.00 0.00 C ATOM 1315 NZ LYS C 86 93.240 -14.542 3.837 1.00 0.00 N ATOM 0 H LYS C 86 94.181 -8.240 2.934 1.00 0.00 H new ATOM 0 HA LYS C 86 96.457 -9.168 4.248 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.803 -10.075 1.883 1.00 0.00 H new ATOM 0 HB3 LYS C 86 96.310 -10.906 2.214 1.00 0.00 H new ATOM 0 HG2 LYS C 86 95.504 -11.131 4.664 1.00 0.00 H new ATOM 0 HG3 LYS C 86 93.938 -10.570 4.112 1.00 0.00 H new ATOM 0 HD2 LYS C 86 94.108 -12.455 2.298 1.00 0.00 H new ATOM 0 HD3 LYS C 86 95.417 -13.100 3.269 1.00 0.00 H new ATOM 0 HE2 LYS C 86 93.870 -13.111 5.280 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.565 -12.566 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 92.549 -14.977 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 92.864 -14.552 2.867 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.129 -15.080 3.869 1.00 0.00 H new ATOM 1392 N ILE I 148 93.855 1.560 5.201 1.00 0.00 N ATOM 1393 CA ILE I 148 92.404 1.439 5.070 1.00 0.00 C ATOM 1394 C ILE I 148 91.743 1.388 6.447 1.00 0.00 C ATOM 1395 O ILE I 148 90.710 0.746 6.633 1.00 0.00 O ATOM 1396 CB ILE I 148 92.043 0.173 4.287 1.00 0.00 C ATOM 1397 CG1 ILE I 148 90.567 0.224 3.877 1.00 0.00 C ATOM 1398 CG2 ILE I 148 92.289 -1.061 5.158 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.304 1.495 3.067 1.00 0.00 C ATOM 0 HA ILE I 148 92.039 2.313 4.531 1.00 0.00 H new ATOM 0 HB ILE I 148 92.665 0.114 3.394 1.00 0.00 H new ATOM 0 HG12 ILE I 148 90.313 -0.656 3.286 1.00 0.00 H new ATOM 0 HG13 ILE I 148 89.932 0.207 4.763 1.00 0.00 H new ATOM 0 HG21 ILE I 148 92.031 -1.959 4.597 1.00 0.00 H new ATOM 0 HG22 ILE I 148 93.340 -1.101 5.444 1.00 0.00 H new ATOM 0 HG23 ILE I 148 91.671 -1.003 6.054 1.00 0.00 H new ATOM 0 HD11 ILE I 148 89.254 1.530 2.776 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.542 2.369 3.674 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.928 1.493 2.174 1.00 0.00 H new ATOM 1411 N SER I 149 92.349 2.076 7.411 1.00 0.00 N ATOM 1412 CA SER I 149 91.805 2.102 8.766 1.00 0.00 C ATOM 1413 C SER I 149 90.297 2.331 8.723 1.00 0.00 C ATOM 1414 O SER I 149 89.808 3.210 8.014 1.00 0.00 O ATOM 1415 CB SER I 149 92.456 3.213 9.589 1.00 0.00 C ATOM 1416 OG SER I 149 92.329 4.446 8.895 1.00 0.00 O ATOM 0 H SER I 149 93.205 2.616 7.283 1.00 0.00 H new ATOM 0 HA SER I 149 92.017 1.140 9.233 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.981 3.283 10.568 1.00 0.00 H new ATOM 0 HB3 SER I 149 93.508 2.986 9.761 1.00 0.00 H new ATOM 0 HG SER I 149 91.505 4.439 8.365 1.00 0.00 H new ATOM 1422 N ALA I 150 89.566 1.524 9.485 1.00 0.00 N ATOM 1423 CA ALA I 150 88.111 1.639 9.523 1.00 0.00 C ATOM 1424 C ALA I 150 87.681 2.701 10.531 1.00 0.00 C ATOM 1425 O ALA I 150 86.623 3.316 10.393 1.00 0.00 O ATOM 1426 CB ALA I 150 87.481 0.299 9.908 1.00 0.00 C ATOM 0 H ALA I 150 89.951 0.790 10.079 1.00 0.00 H new ATOM 0 HA ALA I 150 87.771 1.929 8.529 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.396 0.401 9.932 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.758 -0.458 9.174 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.839 -0.002 10.892 1.00 0.00 H new ATOM 1432 N ASP I 151 88.513 2.907 11.549 1.00 0.00 N ATOM 1433 CA ASP I 151 88.211 3.897 12.581 1.00 0.00 C ATOM 1434 C ASP I 151 87.701 5.191 11.954 1.00 0.00 C ATOM 1435 O ASP I 151 86.889 5.905 12.543 1.00 0.00 O ATOM 1436 CB ASP I 151 89.460 4.204 13.410 1.00 0.00 C ATOM 1437 CG ASP I 151 90.693 4.143 12.516 1.00 0.00 C ATOM 1438 OD1 ASP I 151 90.894 5.075 11.754 1.00 0.00 O ATOM 1439 OD2 ASP I 151 91.418 3.167 12.606 1.00 0.00 O ATOM 0 H ASP I 151 89.393 2.408 11.682 1.00 0.00 H new ATOM 0 HA ASP I 151 87.438 3.480 13.227 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.375 5.192 13.863 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.553 3.487 14.225 1.00 0.00 H new ATOM 1444 N ALA I 152 88.188 5.487 10.752 1.00 0.00 N ATOM 1445 CA ALA I 152 87.777 6.701 10.052 1.00 0.00 C ATOM 1446 C ALA I 152 86.452 6.478 9.330 1.00 0.00 C ATOM 1447 O ALA I 152 85.672 7.409 9.130 1.00 0.00 O ATOM 1448 CB ALA I 152 88.837 7.116 9.028 1.00 0.00 C ATOM 0 H ALA I 152 88.860 4.910 10.247 1.00 0.00 H new ATOM 0 HA ALA I 152 87.659 7.491 10.793 1.00 0.00 H new ATOM 0 HB1 ALA I 152 88.513 8.022 8.516 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.782 7.305 9.538 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.972 6.317 8.299 1.00 0.00 H new ATOM 1454 N MET I 153 86.209 5.231 8.938 1.00 0.00 N ATOM 1455 CA MET I 153 84.976 4.892 8.233 1.00 0.00 C ATOM 1456 C MET I 153 83.777 4.977 9.172 1.00 0.00 C ATOM 1457 O MET I 153 82.725 5.506 8.812 1.00 0.00 O ATOM 1458 CB MET I 153 85.057 3.476 7.662 1.00 0.00 C ATOM 1459 CG MET I 153 83.696 3.082 7.086 1.00 0.00 C ATOM 1460 SD MET I 153 83.883 1.608 6.055 1.00 0.00 S ATOM 1461 CE MET I 153 85.050 2.313 4.865 1.00 0.00 C ATOM 0 H MET I 153 86.841 4.446 9.094 1.00 0.00 H new ATOM 0 HA MET I 153 84.851 5.608 7.420 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.820 3.428 6.886 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.351 2.774 8.442 1.00 0.00 H new ATOM 0 HG2 MET I 153 82.990 2.887 7.893 1.00 0.00 H new ATOM 0 HG3 MET I 153 83.287 3.902 6.496 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.866 1.887 3.879 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.919 3.394 4.824 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.069 2.083 5.175 1.00 0.00 H new ATOM 1471 N MET I 154 83.946 4.445 10.380 1.00 0.00 N ATOM 1472 CA MET I 154 82.868 4.460 11.365 1.00 0.00 C ATOM 1473 C MET I 154 82.464 5.893 11.704 1.00 0.00 C ATOM 1474 O MET I 154 81.424 6.129 12.319 1.00 0.00 O ATOM 1475 CB MET I 154 83.303 3.748 12.647 1.00 0.00 C ATOM 1476 CG MET I 154 82.389 2.547 12.895 1.00 0.00 C ATOM 1477 SD MET I 154 81.720 2.633 14.575 1.00 0.00 S ATOM 1478 CE MET I 154 80.027 3.080 14.120 1.00 0.00 C ATOM 0 H MET I 154 84.809 4.003 10.698 1.00 0.00 H new ATOM 0 HA MET I 154 82.015 3.939 10.931 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.339 3.419 12.560 1.00 0.00 H new ATOM 0 HB3 MET I 154 83.256 4.435 13.492 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.576 2.539 12.169 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.945 1.619 12.761 1.00 0.00 H new ATOM 0 HE1 MET I 154 79.424 3.187 15.022 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.034 4.023 13.574 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.601 2.299 13.490 1.00 0.00 H new ATOM 1488 N GLN I 155 83.299 6.846 11.299 1.00 0.00 N ATOM 1489 CA GLN I 155 83.019 8.255 11.568 1.00 0.00 C ATOM 1490 C GLN I 155 81.994 8.799 10.575 1.00 0.00 C ATOM 1491 O GLN I 155 81.200 9.681 10.902 1.00 0.00 O ATOM 1492 CB GLN I 155 84.302 9.083 11.466 1.00 0.00 C ATOM 1493 CG GLN I 155 84.026 10.515 11.932 1.00 0.00 C ATOM 1494 CD GLN I 155 85.206 11.019 12.756 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.339 11.052 12.275 1.00 0.00 O ATOM 1496 NE2 GLN I 155 85.007 11.416 13.983 1.00 0.00 N ATOM 0 H GLN I 155 84.165 6.673 10.789 1.00 0.00 H new ATOM 0 HA GLN I 155 82.617 8.330 12.578 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.086 8.635 12.077 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.663 9.087 10.438 1.00 0.00 H new ATOM 0 HG2 GLN I 155 83.866 11.164 11.071 1.00 0.00 H new ATOM 0 HG3 GLN I 155 83.114 10.545 12.528 1.00 0.00 H new ATOM 0 HE21 GLN I 155 84.069 11.389 14.382 1.00 0.00 H new ATOM 0 HE22 GLN I 155 85.790 11.753 14.543 1.00 0.00 H new ATOM 1505 N ALA I 156 82.025 8.267 9.356 1.00 0.00 N ATOM 1506 CA ALA I 156 81.098 8.709 8.315 1.00 0.00 C ATOM 1507 C ALA I 156 79.688 8.192 8.588 1.00 0.00 C ATOM 1508 O ALA I 156 78.719 8.649 7.982 1.00 0.00 O ATOM 1509 CB ALA I 156 81.554 8.202 6.947 1.00 0.00 C ATOM 0 H ALA I 156 82.675 7.536 9.065 1.00 0.00 H new ATOM 0 HA ALA I 156 81.088 9.799 8.320 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.854 8.539 6.182 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.548 8.592 6.727 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.586 7.112 6.955 1.00 0.00 H new ATOM 1515 N LEU I 157 79.584 7.236 9.505 1.00 0.00 N ATOM 1516 CA LEU I 157 78.285 6.667 9.846 1.00 0.00 C ATOM 1517 C LEU I 157 78.260 6.245 11.312 1.00 0.00 C ATOM 1518 O LEU I 157 77.810 5.151 11.653 1.00 0.00 O ATOM 1519 CB LEU I 157 77.950 5.454 8.959 1.00 0.00 C ATOM 1520 CG LEU I 157 79.224 4.722 8.510 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.013 5.585 7.520 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.097 4.403 9.725 1.00 0.00 C ATOM 0 H LEU I 157 80.372 6.843 10.020 1.00 0.00 H new ATOM 0 HA LEU I 157 77.534 7.438 9.673 1.00 0.00 H new ATOM 0 HB2 LEU I 157 77.307 4.766 9.508 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.390 5.784 8.084 1.00 0.00 H new ATOM 0 HG LEU I 157 78.937 3.793 8.018 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.913 5.053 7.211 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.396 5.793 6.646 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.292 6.524 7.998 1.00 0.00 H new ATOM 0 HD21 LEU I 157 80.998 3.884 9.399 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.373 5.330 10.228 1.00 0.00 H new ATOM 0 HD23 LEU I 157 79.542 3.768 10.415 1.00 0.00 H new