USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -0.422 K(o=2.6,f=-1.8!) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.731 X(o=2.6,f=2.2!) USER MOD Set 1.3: A 102 ASN : amide:sc= 1.9 K(o=2.6,f=-0.78!) USER MOD Set 1.4: A 104 SER OG : rot 58:sc= 0.114 USER MOD Set 1.5: A 108 SER OG : rot -153:sc= 0.237 USER MOD Set 2.1: A 99 LYS NZ :NH3+ 150:sc= 3.32 (180deg=0.945) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -170:sc= 1.38 (180deg=0.828) USER MOD Set 3.1: A 76 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0347) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 53 THR OG1 : rot 112:sc= 2.4 USER MOD Set 4.2: A 109 ASN : amide:sc= 0.947 K(o=4.6,f=-0.29) USER MOD Set 4.3: A 111 SER OG : rot -87:sc= 1.25 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00732 USER MOD Single : A 21 TYR OH : rot 165:sc= -0.602 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -119:sc= 0.212 (180deg=0) USER MOD Single : A 32 CYS SG : rot 147:sc= 0.126 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5.3!) USER MOD Single : A 52 SER OG : rot 120:sc= 0 USER MOD Single : A 59 MET CE :methyl -151:sc= -0.634 (180deg=-2.17!) USER MOD Single : A 60 THR OG1 : rot 56:sc= 1.23 USER MOD Single : A 66 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.81) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.683 K(o=-0.68,f=-5.5!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.03) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 82:sc= 0.0934 USER MOD Single : A 92 SER OG : rot 104:sc= 1.35 USER MOD Single : A 95 SER OG : rot -170:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.259 F(o=-1.5,f=-0.26) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.155 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.202 -7.108 -1.233 1.00 0.00 N ATOM 92 CA ALA A 19 -4.248 -6.719 -0.214 1.00 0.00 C ATOM 93 C ALA A 19 -2.915 -7.377 -0.485 1.00 0.00 C ATOM 94 O ALA A 19 -2.437 -8.146 0.335 1.00 0.00 O ATOM 95 CB ALA A 19 -4.761 -7.179 1.141 1.00 0.00 C ATOM 0 HA ALA A 19 -4.126 -5.636 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.050 -6.891 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.726 -6.713 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.875 -8.263 1.138 1.00 0.00 H new ATOM 101 N THR A 20 -2.251 -6.952 -1.549 1.00 0.00 N ATOM 102 CA THR A 20 -1.108 -7.697 -2.056 1.00 0.00 C ATOM 103 C THR A 20 0.050 -6.806 -2.462 1.00 0.00 C ATOM 104 O THR A 20 -0.039 -6.063 -3.438 1.00 0.00 O ATOM 105 CB THR A 20 -1.519 -8.556 -3.260 1.00 0.00 C ATOM 106 OG1 THR A 20 -2.898 -8.923 -3.133 1.00 0.00 O ATOM 107 CG2 THR A 20 -0.661 -9.809 -3.352 1.00 0.00 C ATOM 0 H THR A 20 -2.479 -6.107 -2.072 1.00 0.00 H new ATOM 0 HA THR A 20 -0.770 -8.328 -1.234 1.00 0.00 H new ATOM 0 HB THR A 20 -1.372 -7.974 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.163 -9.470 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.972 -10.401 -4.213 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.385 -9.526 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.781 -10.400 -2.444 1.00 0.00 H new ATOM 115 N TYR A 21 1.129 -6.888 -1.708 1.00 0.00 N ATOM 116 CA TYR A 21 2.374 -6.222 -2.051 1.00 0.00 C ATOM 117 C TYR A 21 3.525 -7.122 -1.632 1.00 0.00 C ATOM 118 O TYR A 21 4.143 -6.916 -0.591 1.00 0.00 O ATOM 119 CB TYR A 21 2.490 -4.858 -1.356 1.00 0.00 C ATOM 120 CG TYR A 21 1.407 -3.867 -1.733 1.00 0.00 C ATOM 121 CD1 TYR A 21 0.156 -3.903 -1.125 1.00 0.00 C ATOM 122 CD2 TYR A 21 1.636 -2.897 -2.696 1.00 0.00 C ATOM 123 CE1 TYR A 21 -0.832 -3.002 -1.470 1.00 0.00 C ATOM 124 CE2 TYR A 21 0.652 -1.993 -3.042 1.00 0.00 C ATOM 125 CZ TYR A 21 -0.579 -2.049 -2.430 1.00 0.00 C ATOM 126 OH TYR A 21 -1.560 -1.148 -2.781 1.00 0.00 O ATOM 0 H TYR A 21 1.169 -7.419 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 21 2.401 -6.041 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.466 -5.011 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.461 -4.424 -1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.046 -4.649 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.599 -2.848 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.798 -3.045 -0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.848 -1.242 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.160 -0.407 -3.282 1.00 0.00 H new ATOM 136 N THR A 22 3.787 -8.138 -2.433 1.00 0.00 N ATOM 137 CA THR A 22 4.818 -9.108 -2.114 1.00 0.00 C ATOM 138 C THR A 22 5.803 -9.238 -3.263 1.00 0.00 C ATOM 139 O THR A 22 5.414 -9.562 -4.387 1.00 0.00 O ATOM 140 CB THR A 22 4.198 -10.486 -1.817 1.00 0.00 C ATOM 141 OG1 THR A 22 2.772 -10.423 -1.986 1.00 0.00 O ATOM 142 CG2 THR A 22 4.530 -10.935 -0.404 1.00 0.00 C ATOM 0 H THR A 22 3.299 -8.313 -3.311 1.00 0.00 H new ATOM 0 HA THR A 22 5.344 -8.755 -1.227 1.00 0.00 H new ATOM 0 HB THR A 22 4.616 -11.211 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.381 -11.302 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.081 -11.911 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.612 -11.005 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.135 -10.212 0.310 1.00 0.00 H new ATOM 150 N GLY A 23 7.069 -8.968 -2.991 1.00 0.00 N ATOM 151 CA GLY A 23 8.072 -9.069 -4.026 1.00 0.00 C ATOM 152 C GLY A 23 9.415 -8.544 -3.587 1.00 0.00 C ATOM 153 O GLY A 23 9.654 -8.339 -2.396 1.00 0.00 O ATOM 0 H GLY A 23 7.418 -8.682 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.175 -10.112 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.739 -8.515 -4.904 1.00 0.00 H new ATOM 157 N THR A 24 10.287 -8.324 -4.555 1.00 0.00 N ATOM 158 CA THR A 24 11.621 -7.822 -4.290 1.00 0.00 C ATOM 159 C THR A 24 11.798 -6.437 -4.903 1.00 0.00 C ATOM 160 O THR A 24 11.787 -6.282 -6.124 1.00 0.00 O ATOM 161 CB THR A 24 12.695 -8.774 -4.851 1.00 0.00 C ATOM 162 OG1 THR A 24 12.128 -10.072 -5.080 1.00 0.00 O ATOM 163 CG2 THR A 24 13.869 -8.892 -3.893 1.00 0.00 C ATOM 0 H THR A 24 10.090 -8.488 -5.542 1.00 0.00 H new ATOM 0 HA THR A 24 11.743 -7.758 -3.209 1.00 0.00 H new ATOM 0 HB THR A 24 13.056 -8.362 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.816 -10.671 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.613 -9.569 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.316 -7.909 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.520 -9.282 -2.937 1.00 0.00 H new ATOM 171 N ILE A 25 11.946 -5.435 -4.055 1.00 0.00 N ATOM 172 CA ILE A 25 12.114 -4.066 -4.512 1.00 0.00 C ATOM 173 C ILE A 25 13.595 -3.762 -4.739 1.00 0.00 C ATOM 174 O ILE A 25 14.466 -4.328 -4.068 1.00 0.00 O ATOM 175 CB ILE A 25 11.496 -3.059 -3.509 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.646 -1.618 -4.010 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.120 -3.214 -2.131 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.382 -0.797 -3.879 1.00 0.00 C ATOM 0 H ILE A 25 11.953 -5.544 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 25 11.585 -3.957 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 25 10.432 -3.280 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.446 -1.130 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.951 -1.636 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.670 -2.497 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.945 -4.225 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.193 -3.031 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.562 0.211 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.585 -1.262 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.087 -0.748 -2.831 1.00 0.00 H new ATOM 190 N GLN A 26 13.877 -2.893 -5.703 1.00 0.00 N ATOM 191 CA GLN A 26 15.248 -2.542 -6.038 1.00 0.00 C ATOM 192 C GLN A 26 15.866 -1.674 -4.949 1.00 0.00 C ATOM 193 O GLN A 26 15.153 -1.077 -4.133 1.00 0.00 O ATOM 194 CB GLN A 26 15.296 -1.810 -7.379 1.00 0.00 C ATOM 195 CG GLN A 26 15.248 -2.736 -8.580 1.00 0.00 C ATOM 196 CD GLN A 26 16.619 -3.243 -8.981 1.00 0.00 C ATOM 197 OE1 GLN A 26 17.439 -2.502 -9.523 1.00 0.00 O ATOM 198 NE2 GLN A 26 16.875 -4.516 -8.727 1.00 0.00 N ATOM 0 H GLN A 26 13.171 -2.419 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 26 15.825 -3.463 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.459 -1.114 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.208 -1.215 -7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.603 -3.585 -8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.799 -2.210 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.169 -5.098 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.778 -4.915 -8.982 1.00 0.00 H new ATOM 207 N GLY A 27 17.190 -1.616 -4.938 1.00 0.00 N ATOM 208 CA GLY A 27 17.896 -0.837 -3.943 1.00 0.00 C ATOM 209 C GLY A 27 17.561 0.637 -4.010 1.00 0.00 C ATOM 210 O GLY A 27 17.723 1.267 -5.058 1.00 0.00 O ATOM 0 H GLY A 27 17.791 -2.099 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.652 -1.216 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.969 -0.968 -4.079 1.00 0.00 H new ATOM 214 N LYS A 28 17.081 1.172 -2.887 1.00 0.00 N ATOM 215 CA LYS A 28 16.720 2.584 -2.763 1.00 0.00 C ATOM 216 C LYS A 28 15.623 2.972 -3.749 1.00 0.00 C ATOM 217 O LYS A 28 15.512 4.134 -4.144 1.00 0.00 O ATOM 218 CB LYS A 28 17.949 3.476 -2.965 1.00 0.00 C ATOM 219 CG LYS A 28 18.625 3.885 -1.666 1.00 0.00 C ATOM 220 CD LYS A 28 17.634 4.499 -0.691 1.00 0.00 C ATOM 221 CE LYS A 28 18.213 5.720 0.000 1.00 0.00 C ATOM 222 NZ LYS A 28 18.790 5.391 1.333 1.00 0.00 N ATOM 0 H LYS A 28 16.931 0.635 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 28 16.335 2.734 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.670 2.950 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.651 4.373 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.094 3.014 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.419 4.601 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.725 4.778 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.351 3.758 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.986 6.160 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.433 6.472 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.285 5.923 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.691 4.371 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.797 5.649 1.348 1.00 0.00 H new ATOM 236 N GLY A 29 14.808 2.002 -4.134 1.00 0.00 N ATOM 237 CA GLY A 29 13.763 2.267 -5.095 1.00 0.00 C ATOM 238 C GLY A 29 12.445 2.627 -4.449 1.00 0.00 C ATOM 239 O GLY A 29 12.219 2.338 -3.273 1.00 0.00 O ATOM 0 H GLY A 29 14.853 1.040 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.076 3.082 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.625 1.388 -5.725 1.00 0.00 H new ATOM 243 N GLU A 30 11.575 3.255 -5.224 1.00 0.00 N ATOM 244 CA GLU A 30 10.267 3.668 -4.744 1.00 0.00 C ATOM 245 C GLU A 30 9.208 3.351 -5.787 1.00 0.00 C ATOM 246 O GLU A 30 9.307 3.784 -6.935 1.00 0.00 O ATOM 247 CB GLU A 30 10.253 5.167 -4.418 1.00 0.00 C ATOM 248 CG GLU A 30 11.117 6.009 -5.340 1.00 0.00 C ATOM 249 CD GLU A 30 11.439 7.365 -4.748 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.540 8.229 -4.699 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.590 7.573 -4.312 1.00 0.00 O ATOM 0 H GLU A 30 11.755 3.492 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 30 10.046 3.117 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.226 5.529 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.591 5.308 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.045 5.477 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.604 6.144 -6.292 1.00 0.00 H new ATOM 258 N VAL A 31 8.208 2.581 -5.393 1.00 0.00 N ATOM 259 CA VAL A 31 7.142 2.191 -6.305 1.00 0.00 C ATOM 260 C VAL A 31 5.801 2.722 -5.840 1.00 0.00 C ATOM 261 O VAL A 31 5.613 3.054 -4.666 1.00 0.00 O ATOM 262 CB VAL A 31 7.050 0.655 -6.467 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.358 0.081 -6.989 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.665 -0.009 -5.153 1.00 0.00 C ATOM 0 H VAL A 31 8.110 2.212 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 31 7.390 2.628 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 31 6.270 0.445 -7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.265 -1.000 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.587 0.521 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.161 0.310 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.607 -1.088 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.416 0.218 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.695 0.367 -4.826 1.00 0.00 H new ATOM 274 N CYS A 32 4.880 2.796 -6.777 1.00 0.00 N ATOM 275 CA CYS A 32 3.546 3.284 -6.515 1.00 0.00 C ATOM 276 C CYS A 32 2.545 2.198 -6.864 1.00 0.00 C ATOM 277 O CYS A 32 2.665 1.562 -7.905 1.00 0.00 O ATOM 278 CB CYS A 32 3.294 4.553 -7.345 1.00 0.00 C ATOM 279 SG CYS A 32 1.610 4.717 -8.034 1.00 0.00 S ATOM 0 H CYS A 32 5.038 2.518 -7.746 1.00 0.00 H new ATOM 0 HA CYS A 32 3.435 3.537 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.499 5.422 -6.720 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.009 4.577 -8.168 1.00 0.00 H new ATOM 0 HG CYS A 32 1.279 5.973 -8.076 1.00 0.00 H new ATOM 284 N ILE A 33 1.603 1.940 -5.974 1.00 0.00 N ATOM 285 CA ILE A 33 0.508 1.028 -6.273 1.00 0.00 C ATOM 286 C ILE A 33 -0.781 1.578 -5.684 1.00 0.00 C ATOM 287 O ILE A 33 -0.828 1.944 -4.507 1.00 0.00 O ATOM 288 CB ILE A 33 0.735 -0.398 -5.720 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.188 -0.863 -5.934 1.00 0.00 C ATOM 290 CG2 ILE A 33 -0.252 -1.376 -6.352 1.00 0.00 C ATOM 291 CD1 ILE A 33 2.430 -1.593 -7.239 1.00 0.00 C ATOM 0 H ILE A 33 1.572 2.347 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 33 0.450 0.953 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 33 0.558 -0.374 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.844 0.007 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.472 -1.516 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.080 -2.376 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.271 -1.064 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.111 -1.388 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.479 -1.883 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.804 -2.484 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.182 -0.938 -8.074 1.00 0.00 H new ATOM 476 N LEU A 46 -6.880 4.185 5.185 1.00 0.00 N ATOM 477 CA LEU A 46 -6.208 3.044 4.527 1.00 0.00 C ATOM 478 C LEU A 46 -5.372 2.180 5.487 1.00 0.00 C ATOM 479 O LEU A 46 -4.475 2.668 6.170 1.00 0.00 O ATOM 480 CB LEU A 46 -5.320 3.530 3.376 1.00 0.00 C ATOM 481 CG LEU A 46 -6.046 3.963 2.102 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.839 5.232 2.350 1.00 0.00 C ATOM 483 CD2 LEU A 46 -5.042 4.178 0.985 1.00 0.00 C ATOM 0 HA LEU A 46 -7.010 2.412 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.724 4.370 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.624 2.732 3.119 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.741 3.176 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.350 5.527 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.575 5.054 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.163 6.029 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.565 4.486 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.334 4.953 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.505 3.249 0.795 1.00 0.00 H new ATOM 495 N TYR A 47 -5.667 0.878 5.504 1.00 0.00 N ATOM 496 CA TYR A 47 -4.916 -0.080 6.318 1.00 0.00 C ATOM 497 C TYR A 47 -3.876 -0.795 5.459 1.00 0.00 C ATOM 498 O TYR A 47 -4.180 -1.246 4.354 1.00 0.00 O ATOM 499 CB TYR A 47 -5.871 -1.107 6.969 1.00 0.00 C ATOM 500 CG TYR A 47 -5.196 -2.321 7.613 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.592 -3.315 6.841 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.182 -2.484 8.994 1.00 0.00 C ATOM 503 CE1 TYR A 47 -3.994 -4.416 7.421 1.00 0.00 C ATOM 504 CE2 TYR A 47 -4.586 -3.587 9.581 1.00 0.00 C ATOM 505 CZ TYR A 47 -3.995 -4.549 8.790 1.00 0.00 C ATOM 506 OH TYR A 47 -3.407 -5.648 9.372 1.00 0.00 O ATOM 0 H TYR A 47 -6.424 0.462 4.961 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.405 0.464 7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.462 -0.596 7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.568 -1.461 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.593 -3.221 5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.645 -1.736 9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.528 -5.169 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.584 -3.694 10.656 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.494 -5.588 10.346 1.00 0.00 H new ATOM 516 N ALA A 48 -2.659 -0.905 5.978 1.00 0.00 N ATOM 517 CA ALA A 48 -1.601 -1.652 5.307 1.00 0.00 C ATOM 518 C ALA A 48 -0.578 -2.158 6.312 1.00 0.00 C ATOM 519 O ALA A 48 -0.084 -1.395 7.138 1.00 0.00 O ATOM 520 CB ALA A 48 -0.911 -0.791 4.264 1.00 0.00 C ATOM 0 H ALA A 48 -2.379 -0.485 6.864 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.061 -2.506 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.126 -1.369 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.639 -0.468 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.472 0.083 4.746 1.00 0.00 H new ATOM 526 N VAL A 49 -0.262 -3.444 6.243 1.00 0.00 N ATOM 527 CA VAL A 49 0.755 -4.014 7.112 1.00 0.00 C ATOM 528 C VAL A 49 1.979 -4.440 6.301 1.00 0.00 C ATOM 529 O VAL A 49 1.980 -5.471 5.622 1.00 0.00 O ATOM 530 CB VAL A 49 0.214 -5.203 7.945 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.468 -6.242 7.070 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.333 -5.833 8.758 1.00 0.00 C ATOM 0 H VAL A 49 -0.692 -4.107 5.599 1.00 0.00 H new ATOM 0 HA VAL A 49 1.050 -3.235 7.815 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.539 -4.812 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.833 -7.059 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.306 -5.783 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.245 -6.631 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.937 -6.667 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.111 -6.195 8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.755 -5.089 9.434 1.00 0.00 H new ATOM 542 N LEU A 50 3.013 -3.615 6.354 1.00 0.00 N ATOM 543 CA LEU A 50 4.236 -3.886 5.617 1.00 0.00 C ATOM 544 C LEU A 50 5.136 -4.807 6.422 1.00 0.00 C ATOM 545 O LEU A 50 5.628 -4.425 7.479 1.00 0.00 O ATOM 546 CB LEU A 50 4.970 -2.576 5.290 1.00 0.00 C ATOM 547 CG LEU A 50 6.124 -2.707 4.288 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.681 -2.279 2.900 1.00 0.00 C ATOM 549 CD2 LEU A 50 7.328 -1.889 4.738 1.00 0.00 C ATOM 0 H LEU A 50 3.029 -2.753 6.899 1.00 0.00 H new ATOM 0 HA LEU A 50 3.976 -4.378 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.247 -1.862 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.361 -2.156 6.217 1.00 0.00 H new ATOM 0 HG LEU A 50 6.418 -3.756 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.515 -2.380 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.856 -2.910 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.354 -1.239 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.134 -1.998 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.047 -0.839 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.666 -2.245 5.711 1.00 0.00 H new ATOM 561 N HIS A 51 5.305 -6.032 5.944 1.00 0.00 N ATOM 562 CA HIS A 51 6.238 -6.973 6.555 1.00 0.00 C ATOM 563 C HIS A 51 7.530 -7.001 5.752 1.00 0.00 C ATOM 564 O HIS A 51 7.599 -6.441 4.658 1.00 0.00 O ATOM 565 CB HIS A 51 5.654 -8.387 6.608 1.00 0.00 C ATOM 566 CG HIS A 51 4.508 -8.559 7.555 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.637 -8.521 8.930 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.203 -8.807 7.311 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.462 -8.743 9.484 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.573 -8.921 8.525 1.00 0.00 N ATOM 0 H HIS A 51 4.808 -6.400 5.133 1.00 0.00 H new ATOM 0 HA HIS A 51 6.430 -6.640 7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.325 -8.666 5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.446 -9.081 6.889 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.505 -8.348 9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.740 -8.899 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.260 -8.774 10.545 1.00 0.00 H new ATOM 579 N SER A 52 8.537 -7.670 6.281 1.00 0.00 N ATOM 580 CA SER A 52 9.835 -7.743 5.631 1.00 0.00 C ATOM 581 C SER A 52 10.357 -9.176 5.631 1.00 0.00 C ATOM 582 O SER A 52 10.692 -9.724 6.678 1.00 0.00 O ATOM 583 CB SER A 52 10.819 -6.822 6.353 1.00 0.00 C ATOM 584 OG SER A 52 10.266 -6.353 7.574 1.00 0.00 O ATOM 0 H SER A 52 8.481 -8.175 7.166 1.00 0.00 H new ATOM 0 HA SER A 52 9.730 -7.420 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.747 -7.358 6.551 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.069 -5.976 5.713 1.00 0.00 H new ATOM 0 HG SER A 52 10.833 -6.637 8.321 1.00 0.00 H new ATOM 590 N THR A 53 10.417 -9.782 4.457 1.00 0.00 N ATOM 591 CA THR A 53 10.875 -11.159 4.334 1.00 0.00 C ATOM 592 C THR A 53 12.282 -11.221 3.745 1.00 0.00 C ATOM 593 O THR A 53 12.519 -11.898 2.742 1.00 0.00 O ATOM 594 CB THR A 53 9.913 -11.971 3.449 1.00 0.00 C ATOM 595 OG1 THR A 53 8.891 -11.107 2.921 1.00 0.00 O ATOM 596 CG2 THR A 53 9.276 -13.104 4.239 1.00 0.00 C ATOM 0 H THR A 53 10.155 -9.343 3.574 1.00 0.00 H new ATOM 0 HA THR A 53 10.896 -11.590 5.335 1.00 0.00 H new ATOM 0 HB THR A 53 10.483 -12.404 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.010 -11.013 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.600 -13.664 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.054 -13.769 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.716 -12.692 5.079 1.00 0.00 H new ATOM 604 N ASN A 54 13.215 -10.513 4.373 1.00 0.00 N ATOM 605 CA ASN A 54 14.586 -10.446 3.882 1.00 0.00 C ATOM 606 C ASN A 54 15.499 -9.849 4.947 1.00 0.00 C ATOM 607 O ASN A 54 15.022 -9.379 5.979 1.00 0.00 O ATOM 608 CB ASN A 54 14.647 -9.634 2.578 1.00 0.00 C ATOM 609 CG ASN A 54 15.124 -8.209 2.767 1.00 0.00 C ATOM 610 OD1 ASN A 54 16.296 -7.912 2.575 1.00 0.00 O ATOM 611 ND2 ASN A 54 14.212 -7.320 3.125 1.00 0.00 N ATOM 0 H ASN A 54 13.046 -9.977 5.224 1.00 0.00 H new ATOM 0 HA ASN A 54 14.935 -11.456 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.311 -10.140 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.656 -9.618 2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.475 -6.343 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.246 -7.612 3.274 1.00 0.00 H new ATOM 618 N VAL A 55 16.804 -9.881 4.687 1.00 0.00 N ATOM 619 CA VAL A 55 17.806 -9.399 5.634 1.00 0.00 C ATOM 620 C VAL A 55 17.660 -7.901 5.901 1.00 0.00 C ATOM 621 O VAL A 55 17.358 -7.495 7.021 1.00 0.00 O ATOM 622 CB VAL A 55 19.231 -9.689 5.127 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.263 -9.304 6.175 1.00 0.00 C ATOM 624 CG2 VAL A 55 19.372 -11.156 4.750 1.00 0.00 C ATOM 0 H VAL A 55 17.196 -10.241 3.817 1.00 0.00 H new ATOM 0 HA VAL A 55 17.639 -9.936 6.568 1.00 0.00 H new ATOM 0 HB VAL A 55 19.409 -9.085 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.263 -9.517 5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.178 -8.240 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.089 -9.879 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.385 -11.344 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.173 -11.777 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.659 -11.399 3.962 1.00 0.00 H new ATOM 634 N ASN A 56 17.878 -7.084 4.876 1.00 0.00 N ATOM 635 CA ASN A 56 17.731 -5.634 5.010 1.00 0.00 C ATOM 636 C ASN A 56 16.255 -5.275 5.079 1.00 0.00 C ATOM 637 O ASN A 56 15.613 -5.002 4.062 1.00 0.00 O ATOM 638 CB ASN A 56 18.411 -4.882 3.856 1.00 0.00 C ATOM 639 CG ASN A 56 18.525 -5.704 2.586 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.354 -6.607 2.487 1.00 0.00 O ATOM 641 ND2 ASN A 56 17.704 -5.392 1.599 1.00 0.00 N ATOM 0 H ASN A 56 18.156 -7.397 3.946 1.00 0.00 H new ATOM 0 HA ASN A 56 18.225 -5.328 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.848 -3.973 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.408 -4.573 4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.745 -5.907 0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.029 -4.637 1.717 1.00 0.00 H new ATOM 648 N ALA A 57 15.722 -5.294 6.290 1.00 0.00 N ATOM 649 CA ALA A 57 14.296 -5.134 6.507 1.00 0.00 C ATOM 650 C ALA A 57 13.872 -3.674 6.547 1.00 0.00 C ATOM 651 O ALA A 57 12.705 -3.376 6.335 1.00 0.00 O ATOM 652 CB ALA A 57 13.882 -5.825 7.794 1.00 0.00 C ATOM 0 H ALA A 57 16.264 -5.420 7.145 1.00 0.00 H new ATOM 0 HA ALA A 57 13.791 -5.596 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.810 -5.698 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.116 -6.888 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.422 -5.386 8.633 1.00 0.00 H new ATOM 658 N ASP A 58 14.810 -2.767 6.812 1.00 0.00 N ATOM 659 CA ASP A 58 14.469 -1.353 6.966 1.00 0.00 C ATOM 660 C ASP A 58 13.895 -0.785 5.675 1.00 0.00 C ATOM 661 O ASP A 58 14.620 -0.465 4.732 1.00 0.00 O ATOM 662 CB ASP A 58 15.677 -0.530 7.413 1.00 0.00 C ATOM 663 CG ASP A 58 15.273 0.822 7.975 1.00 0.00 C ATOM 664 OD1 ASP A 58 14.058 1.068 8.154 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.169 1.649 8.247 1.00 0.00 O ATOM 0 H ASP A 58 15.801 -2.981 6.924 1.00 0.00 H new ATOM 0 HA ASP A 58 13.708 -1.288 7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.233 -1.085 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.348 -0.384 6.567 1.00 0.00 H new ATOM 670 N MET A 59 12.577 -0.676 5.648 1.00 0.00 N ATOM 671 CA MET A 59 11.859 -0.186 4.487 1.00 0.00 C ATOM 672 C MET A 59 10.862 0.879 4.920 1.00 0.00 C ATOM 673 O MET A 59 10.248 0.763 5.978 1.00 0.00 O ATOM 674 CB MET A 59 11.133 -1.343 3.798 1.00 0.00 C ATOM 675 CG MET A 59 11.460 -1.477 2.319 1.00 0.00 C ATOM 676 SD MET A 59 11.040 -3.102 1.654 1.00 0.00 S ATOM 677 CE MET A 59 11.829 -4.175 2.850 1.00 0.00 C ATOM 0 H MET A 59 11.975 -0.926 6.433 1.00 0.00 H new ATOM 0 HA MET A 59 12.565 0.252 3.781 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.390 -2.274 4.303 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.058 -1.205 3.912 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.921 -0.711 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.524 -1.292 2.168 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.117 -5.109 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.717 -3.684 3.249 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.135 -4.386 3.663 1.00 0.00 H new ATOM 687 N THR A 60 10.717 1.918 4.121 1.00 0.00 N ATOM 688 CA THR A 60 9.814 3.009 4.453 1.00 0.00 C ATOM 689 C THR A 60 8.605 3.037 3.521 1.00 0.00 C ATOM 690 O THR A 60 8.715 3.428 2.361 1.00 0.00 O ATOM 691 CB THR A 60 10.542 4.365 4.382 1.00 0.00 C ATOM 692 OG1 THR A 60 11.672 4.274 3.501 1.00 0.00 O ATOM 693 CG2 THR A 60 11.014 4.797 5.759 1.00 0.00 C ATOM 0 H THR A 60 11.212 2.032 3.236 1.00 0.00 H new ATOM 0 HA THR A 60 9.467 2.838 5.472 1.00 0.00 H new ATOM 0 HB THR A 60 9.839 5.106 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.375 3.969 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.525 5.757 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.156 4.894 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.700 4.051 6.159 1.00 0.00 H new ATOM 701 N LEU A 61 7.457 2.611 4.021 1.00 0.00 N ATOM 702 CA LEU A 61 6.233 2.673 3.243 1.00 0.00 C ATOM 703 C LEU A 61 5.504 3.972 3.545 1.00 0.00 C ATOM 704 O LEU A 61 5.229 4.278 4.703 1.00 0.00 O ATOM 705 CB LEU A 61 5.328 1.480 3.554 1.00 0.00 C ATOM 706 CG LEU A 61 3.895 1.600 3.027 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.844 1.300 1.536 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.971 0.667 3.790 1.00 0.00 C ATOM 0 H LEU A 61 7.348 2.221 4.957 1.00 0.00 H new ATOM 0 HA LEU A 61 6.491 2.637 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.780 0.581 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.291 1.343 4.635 1.00 0.00 H new ATOM 0 HG LEU A 61 3.557 2.625 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.817 1.391 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.477 2.008 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.202 0.286 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.956 0.764 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.310 -0.362 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.983 0.928 4.848 1.00 0.00 H new ATOM 720 N ILE A 62 5.211 4.747 2.518 1.00 0.00 N ATOM 721 CA ILE A 62 4.532 6.012 2.714 1.00 0.00 C ATOM 722 C ILE A 62 3.090 5.950 2.234 1.00 0.00 C ATOM 723 O ILE A 62 2.794 5.465 1.138 1.00 0.00 O ATOM 724 CB ILE A 62 5.299 7.190 2.051 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.713 8.198 3.121 1.00 0.00 C ATOM 726 CG2 ILE A 62 4.480 7.890 0.967 1.00 0.00 C ATOM 727 CD1 ILE A 62 7.101 7.959 3.673 1.00 0.00 C ATOM 0 H ILE A 62 5.431 4.525 1.547 1.00 0.00 H new ATOM 0 HA ILE A 62 4.515 6.203 3.787 1.00 0.00 H new ATOM 0 HB ILE A 62 6.180 6.771 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.666 9.202 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.994 8.162 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.064 8.704 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.225 7.175 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.565 8.291 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.327 8.712 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.147 6.968 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.830 8.024 2.865 1.00 0.00 H new ATOM 739 N LEU A 63 2.201 6.401 3.096 1.00 0.00 N ATOM 740 CA LEU A 63 0.801 6.549 2.757 1.00 0.00 C ATOM 741 C LEU A 63 0.570 7.974 2.273 1.00 0.00 C ATOM 742 O LEU A 63 0.623 8.923 3.060 1.00 0.00 O ATOM 743 CB LEU A 63 -0.074 6.225 3.978 1.00 0.00 C ATOM 744 CG LEU A 63 -1.431 6.925 4.024 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.363 6.350 2.971 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.040 6.804 5.410 1.00 0.00 C ATOM 0 H LEU A 63 2.429 6.675 4.052 1.00 0.00 H new ATOM 0 HA LEU A 63 0.527 5.854 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.240 5.148 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.480 6.487 4.879 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.285 7.983 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.325 6.861 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.926 6.491 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.508 5.286 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.007 7.307 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.175 5.751 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.376 7.267 6.141 1.00 0.00 H new ATOM 758 N LEU A 64 0.366 8.130 0.976 1.00 0.00 N ATOM 759 CA LEU A 64 0.238 9.450 0.388 1.00 0.00 C ATOM 760 C LEU A 64 -0.958 9.516 -0.543 1.00 0.00 C ATOM 761 O LEU A 64 -1.395 8.499 -1.076 1.00 0.00 O ATOM 762 CB LEU A 64 1.535 9.810 -0.351 1.00 0.00 C ATOM 763 CG LEU A 64 1.459 9.878 -1.880 1.00 0.00 C ATOM 764 CD1 LEU A 64 1.289 11.312 -2.360 1.00 0.00 C ATOM 765 CD2 LEU A 64 2.715 9.272 -2.477 1.00 0.00 C ATOM 0 H LEU A 64 0.286 7.360 0.312 1.00 0.00 H new ATOM 0 HA LEU A 64 0.072 10.178 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.879 10.777 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.296 9.078 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 64 0.588 9.311 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.238 11.328 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.369 11.727 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.138 11.910 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.661 9.320 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.587 9.828 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.801 8.231 -2.164 1.00 0.00 H new ATOM 777 N ARG A 65 -1.494 10.713 -0.728 1.00 0.00 N ATOM 778 CA ARG A 65 -2.519 10.917 -1.731 1.00 0.00 C ATOM 779 C ARG A 65 -2.263 12.207 -2.496 1.00 0.00 C ATOM 780 O ARG A 65 -2.468 13.308 -1.989 1.00 0.00 O ATOM 781 CB ARG A 65 -3.917 10.944 -1.107 1.00 0.00 C ATOM 782 CG ARG A 65 -4.045 11.856 0.105 1.00 0.00 C ATOM 783 CD ARG A 65 -5.065 12.960 -0.135 1.00 0.00 C ATOM 784 NE ARG A 65 -5.485 13.606 1.108 1.00 0.00 N ATOM 785 CZ ARG A 65 -4.886 14.673 1.640 1.00 0.00 C ATOM 786 NH1 ARG A 65 -3.829 15.220 1.049 1.00 0.00 N ATOM 787 NH2 ARG A 65 -5.347 15.191 2.773 1.00 0.00 N ATOM 0 H ARG A 65 -1.237 11.548 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.476 10.076 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.634 11.262 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.191 9.930 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.340 11.269 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.075 12.298 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.638 13.707 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.937 12.543 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.288 13.215 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.469 14.824 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.378 16.036 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.156 14.773 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.892 16.007 3.183 1.00 0.00 H new ATOM 801 N ASN A 66 -1.786 12.047 -3.710 1.00 0.00 N ATOM 802 CA ASN A 66 -1.659 13.142 -4.649 1.00 0.00 C ATOM 803 C ASN A 66 -2.187 12.665 -5.984 1.00 0.00 C ATOM 804 O ASN A 66 -2.141 11.471 -6.266 1.00 0.00 O ATOM 805 CB ASN A 66 -0.196 13.609 -4.766 1.00 0.00 C ATOM 806 CG ASN A 66 0.279 13.741 -6.205 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.176 14.806 -6.817 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.797 12.657 -6.751 1.00 0.00 N ATOM 0 H ASN A 66 -1.473 11.148 -4.077 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.233 14.001 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.088 14.571 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.447 12.902 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.130 12.681 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.864 11.795 -6.209 1.00 0.00 H new ATOM 815 N VAL A 67 -2.704 13.562 -6.794 1.00 0.00 N ATOM 816 CA VAL A 67 -3.138 13.180 -8.119 1.00 0.00 C ATOM 817 C VAL A 67 -3.316 14.421 -8.995 1.00 0.00 C ATOM 818 O VAL A 67 -4.189 14.495 -9.864 1.00 0.00 O ATOM 819 CB VAL A 67 -4.421 12.315 -8.036 1.00 0.00 C ATOM 820 CG1 VAL A 67 -5.625 13.138 -7.590 1.00 0.00 C ATOM 821 CG2 VAL A 67 -4.700 11.605 -9.355 1.00 0.00 C ATOM 0 H VAL A 67 -2.833 14.547 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.372 12.565 -8.591 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.246 11.551 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.506 12.498 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.431 13.561 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.799 13.944 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.607 11.007 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.832 12.344 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.861 10.955 -9.603 1.00 0.00 H new ATOM 831 N GLY A 68 -2.443 15.394 -8.767 1.00 0.00 N ATOM 832 CA GLY A 68 -2.485 16.626 -9.524 1.00 0.00 C ATOM 833 C GLY A 68 -1.350 16.715 -10.522 1.00 0.00 C ATOM 834 O GLY A 68 -1.125 17.765 -11.123 1.00 0.00 O ATOM 0 H GLY A 68 -1.703 15.349 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.437 16.697 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.435 17.474 -8.841 1.00 0.00 H new ATOM 838 N GLY A 69 -0.629 15.612 -10.694 1.00 0.00 N ATOM 839 CA GLY A 69 0.463 15.580 -11.645 1.00 0.00 C ATOM 840 C GLY A 69 1.730 16.195 -11.091 1.00 0.00 C ATOM 841 O GLY A 69 2.305 17.103 -11.696 1.00 0.00 O ATOM 0 H GLY A 69 -0.783 14.739 -10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.660 14.547 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.169 16.113 -12.549 1.00 0.00 H new ATOM 845 N ASN A 70 2.162 15.712 -9.937 1.00 0.00 N ATOM 846 CA ASN A 70 3.369 16.228 -9.302 1.00 0.00 C ATOM 847 C ASN A 70 4.205 15.092 -8.728 1.00 0.00 C ATOM 848 O ASN A 70 4.966 15.279 -7.777 1.00 0.00 O ATOM 849 CB ASN A 70 3.016 17.231 -8.199 1.00 0.00 C ATOM 850 CG ASN A 70 3.996 18.387 -8.135 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.905 19.339 -8.909 1.00 0.00 O ATOM 852 ND2 ASN A 70 4.942 18.317 -7.214 1.00 0.00 N ATOM 0 H ASN A 70 1.698 14.965 -9.420 1.00 0.00 H new ATOM 0 HA ASN A 70 3.956 16.741 -10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.012 17.618 -8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.999 16.719 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.627 19.068 -7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.987 17.512 -6.589 1.00 0.00 H new ATOM 859 N GLY A 71 4.055 13.909 -9.307 1.00 0.00 N ATOM 860 CA GLY A 71 4.829 12.764 -8.867 1.00 0.00 C ATOM 861 C GLY A 71 4.129 12.005 -7.767 1.00 0.00 C ATOM 862 O GLY A 71 2.948 11.699 -7.885 1.00 0.00 O ATOM 0 H GLY A 71 3.410 13.721 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.006 12.099 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.805 13.098 -8.514 1.00 0.00 H new ATOM 866 N TRP A 72 4.863 11.693 -6.707 1.00 0.00 N ATOM 867 CA TRP A 72 4.301 11.072 -5.512 1.00 0.00 C ATOM 868 C TRP A 72 5.068 11.555 -4.284 1.00 0.00 C ATOM 869 O TRP A 72 6.186 11.101 -4.030 1.00 0.00 O ATOM 870 CB TRP A 72 4.376 9.541 -5.590 1.00 0.00 C ATOM 871 CG TRP A 72 3.482 8.921 -6.627 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.889 8.243 -7.736 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.040 8.906 -6.658 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.804 7.815 -8.455 1.00 0.00 N ATOM 875 CE2 TRP A 72 1.661 8.204 -7.818 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.034 9.411 -5.828 1.00 0.00 C ATOM 877 CZ2 TRP A 72 0.328 7.997 -8.165 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -0.285 9.203 -6.174 1.00 0.00 C ATOM 879 CH2 TRP A 72 -0.630 8.501 -7.332 1.00 0.00 C ATOM 0 H TRP A 72 5.867 11.863 -6.650 1.00 0.00 H new ATOM 0 HA TRP A 72 3.252 11.358 -5.439 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.406 9.251 -5.798 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.119 9.128 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.919 8.068 -8.009 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.844 7.289 -9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.286 9.955 -4.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.061 7.457 -9.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -1.067 9.590 -5.537 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.673 8.354 -7.573 1.00 0.00 H new ATOM 890 N GLY A 73 4.472 12.468 -3.526 1.00 0.00 N ATOM 891 CA GLY A 73 5.161 13.057 -2.392 1.00 0.00 C ATOM 892 C GLY A 73 4.986 12.258 -1.116 1.00 0.00 C ATOM 893 O GLY A 73 3.879 11.846 -0.787 1.00 0.00 O ATOM 0 H GLY A 73 3.523 12.811 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.224 13.138 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.791 14.070 -2.234 1.00 0.00 H new ATOM 897 N GLU A 74 6.077 12.044 -0.396 1.00 0.00 N ATOM 898 CA GLU A 74 6.045 11.271 0.840 1.00 0.00 C ATOM 899 C GLU A 74 5.225 11.981 1.922 1.00 0.00 C ATOM 900 O GLU A 74 5.588 13.067 2.378 1.00 0.00 O ATOM 901 CB GLU A 74 7.468 11.023 1.336 1.00 0.00 C ATOM 902 CG GLU A 74 8.133 9.811 0.700 1.00 0.00 C ATOM 903 CD GLU A 74 8.865 10.150 -0.583 1.00 0.00 C ATOM 904 OE1 GLU A 74 9.401 11.268 -0.689 1.00 0.00 O ATOM 905 OE2 GLU A 74 8.918 9.293 -1.488 1.00 0.00 O ATOM 0 H GLU A 74 7.001 12.396 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 74 5.564 10.316 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.073 11.907 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.449 10.890 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.836 9.374 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.377 9.054 0.493 1.00 0.00 H new ATOM 912 N ILE A 75 4.119 11.362 2.324 1.00 0.00 N ATOM 913 CA ILE A 75 3.239 11.943 3.330 1.00 0.00 C ATOM 914 C ILE A 75 3.422 11.261 4.690 1.00 0.00 C ATOM 915 O ILE A 75 4.163 11.757 5.540 1.00 0.00 O ATOM 916 CB ILE A 75 1.755 11.869 2.887 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.527 12.748 1.651 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.813 12.290 4.014 1.00 0.00 C ATOM 919 CD1 ILE A 75 1.937 14.195 1.841 1.00 0.00 C ATOM 0 H ILE A 75 3.811 10.457 1.967 1.00 0.00 H new ATOM 0 HA ILE A 75 3.514 12.992 3.434 1.00 0.00 H new ATOM 0 HB ILE A 75 1.533 10.832 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.084 12.330 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.471 12.712 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.219 12.226 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.951 11.629 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.034 13.316 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.745 14.751 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.362 14.632 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.000 14.244 2.079 1.00 0.00 H new ATOM 931 N LYS A 76 2.751 10.132 4.898 1.00 0.00 N ATOM 932 CA LYS A 76 2.808 9.441 6.180 1.00 0.00 C ATOM 933 C LYS A 76 3.758 8.256 6.124 1.00 0.00 C ATOM 934 O LYS A 76 3.585 7.355 5.306 1.00 0.00 O ATOM 935 CB LYS A 76 1.418 8.970 6.599 1.00 0.00 C ATOM 936 CG LYS A 76 1.153 9.150 8.082 1.00 0.00 C ATOM 937 CD LYS A 76 1.218 7.831 8.831 1.00 0.00 C ATOM 938 CE LYS A 76 1.693 8.033 10.261 1.00 0.00 C ATOM 939 NZ LYS A 76 0.789 8.932 11.027 1.00 0.00 N ATOM 0 H LYS A 76 2.164 9.678 4.198 1.00 0.00 H new ATOM 0 HA LYS A 76 3.182 10.149 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.668 9.521 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.304 7.917 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.884 9.842 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.170 9.600 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.234 7.363 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.893 7.149 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.754 7.067 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.699 8.452 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.872 8.725 12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.055 9.922 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.193 8.779 10.722 1.00 0.00 H new ATOM 953 N ARG A 77 4.747 8.250 7.003 1.00 0.00 N ATOM 954 CA ARG A 77 5.736 7.185 7.029 1.00 0.00 C ATOM 955 C ARG A 77 5.281 6.019 7.899 1.00 0.00 C ATOM 956 O ARG A 77 4.945 6.189 9.071 1.00 0.00 O ATOM 957 CB ARG A 77 7.079 7.710 7.537 1.00 0.00 C ATOM 958 CG ARG A 77 8.227 6.732 7.345 1.00 0.00 C ATOM 959 CD ARG A 77 9.302 6.911 8.408 1.00 0.00 C ATOM 960 NE ARG A 77 10.407 7.740 7.933 1.00 0.00 N ATOM 961 CZ ARG A 77 11.697 7.428 8.079 1.00 0.00 C ATOM 962 NH1 ARG A 77 12.050 6.305 8.697 1.00 0.00 N ATOM 963 NH2 ARG A 77 12.635 8.242 7.605 1.00 0.00 N ATOM 0 H ARG A 77 4.886 8.973 7.709 1.00 0.00 H new ATOM 0 HA ARG A 77 5.852 6.826 6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.315 8.640 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.989 7.948 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.846 5.711 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.665 6.874 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.862 7.366 9.295 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.683 5.934 8.706 1.00 0.00 H new ATOM 0 HE ARG A 77 10.178 8.614 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.334 5.677 9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.037 6.071 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.369 9.105 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.621 8.004 7.716 1.00 0.00 H new ATOM 977 N ASN A 78 5.255 4.846 7.301 1.00 0.00 N ATOM 978 CA ASN A 78 5.014 3.604 8.018 1.00 0.00 C ATOM 979 C ASN A 78 6.313 2.805 8.091 1.00 0.00 C ATOM 980 O ASN A 78 7.032 2.684 7.094 1.00 0.00 O ATOM 981 CB ASN A 78 3.903 2.799 7.321 1.00 0.00 C ATOM 982 CG ASN A 78 4.056 1.289 7.450 1.00 0.00 C ATOM 983 OD1 ASN A 78 4.777 0.655 6.683 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.357 0.703 8.409 1.00 0.00 N ATOM 0 H ASN A 78 5.401 4.723 6.299 1.00 0.00 H new ATOM 0 HA ASN A 78 4.681 3.821 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.940 3.093 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.886 3.063 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.406 -0.309 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.769 1.263 9.027 1.00 0.00 H new ATOM 991 N ASP A 79 6.634 2.300 9.275 1.00 0.00 N ATOM 992 CA ASP A 79 7.848 1.514 9.464 1.00 0.00 C ATOM 993 C ASP A 79 7.572 0.039 9.212 1.00 0.00 C ATOM 994 O ASP A 79 6.427 -0.362 9.003 1.00 0.00 O ATOM 995 CB ASP A 79 8.437 1.718 10.867 1.00 0.00 C ATOM 996 CG ASP A 79 7.408 1.607 11.971 1.00 0.00 C ATOM 997 OD1 ASP A 79 7.194 0.492 12.481 1.00 0.00 O ATOM 998 OD2 ASP A 79 6.815 2.644 12.350 1.00 0.00 O ATOM 0 H ASP A 79 6.072 2.420 10.118 1.00 0.00 H new ATOM 0 HA ASP A 79 8.585 1.862 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.221 0.980 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.908 2.700 10.916 1.00 0.00 H new ATOM 1003 N ILE A 80 8.622 -0.766 9.247 1.00 0.00 N ATOM 1004 CA ILE A 80 8.524 -2.161 8.835 1.00 0.00 C ATOM 1005 C ILE A 80 7.923 -3.048 9.917 1.00 0.00 C ATOM 1006 O ILE A 80 8.048 -2.779 11.114 1.00 0.00 O ATOM 1007 CB ILE A 80 9.885 -2.746 8.411 1.00 0.00 C ATOM 1008 CG1 ILE A 80 11.012 -1.719 8.576 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.804 -3.224 6.971 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.867 -1.950 9.802 1.00 0.00 C ATOM 0 H ILE A 80 9.551 -0.480 9.556 1.00 0.00 H new ATOM 0 HA ILE A 80 7.857 -2.155 7.973 1.00 0.00 H new ATOM 0 HB ILE A 80 10.117 -3.590 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.647 -1.744 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.578 -0.721 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.766 -3.638 6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.036 -3.993 6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.552 -2.385 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.643 -1.186 9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.245 -1.896 10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.331 -2.935 9.742 1.00 0.00 H new ATOM 1022 N ASP A 81 7.284 -4.120 9.457 1.00 0.00 N ATOM 1023 CA ASP A 81 6.559 -5.062 10.307 1.00 0.00 C ATOM 1024 C ASP A 81 5.475 -4.345 11.090 1.00 0.00 C ATOM 1025 O ASP A 81 5.173 -4.695 12.233 1.00 0.00 O ATOM 1026 CB ASP A 81 7.498 -5.807 11.252 1.00 0.00 C ATOM 1027 CG ASP A 81 7.000 -7.207 11.543 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.583 -7.901 10.591 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.024 -7.622 12.720 1.00 0.00 O ATOM 0 H ASP A 81 7.254 -4.363 8.467 1.00 0.00 H new ATOM 0 HA ASP A 81 6.092 -5.802 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.493 -5.859 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.591 -5.252 12.185 1.00 0.00 H new ATOM 1034 N LYS A 82 4.878 -3.350 10.460 1.00 0.00 N ATOM 1035 CA LYS A 82 3.874 -2.532 11.118 1.00 0.00 C ATOM 1036 C LYS A 82 2.598 -2.467 10.295 1.00 0.00 C ATOM 1037 O LYS A 82 2.627 -2.117 9.111 1.00 0.00 O ATOM 1038 CB LYS A 82 4.406 -1.115 11.363 1.00 0.00 C ATOM 1039 CG LYS A 82 3.324 -0.111 11.738 1.00 0.00 C ATOM 1040 CD LYS A 82 3.900 1.267 12.014 1.00 0.00 C ATOM 1041 CE LYS A 82 3.730 1.656 13.472 1.00 0.00 C ATOM 1042 NZ LYS A 82 5.030 1.698 14.188 1.00 0.00 N ATOM 0 H LYS A 82 5.070 -3.088 9.493 1.00 0.00 H new ATOM 0 HA LYS A 82 3.646 -2.996 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.150 -1.148 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.916 -0.768 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.595 -0.044 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.791 -0.465 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.958 1.280 11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.407 2.003 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.250 2.632 13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.068 0.943 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.880 2.033 15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.445 0.745 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.677 2.346 13.695 1.00 0.00 H new ATOM 1056 N PRO A 83 1.463 -2.829 10.910 1.00 0.00 N ATOM 1057 CA PRO A 83 0.153 -2.661 10.318 1.00 0.00 C ATOM 1058 C PRO A 83 -0.413 -1.282 10.621 1.00 0.00 C ATOM 1059 O PRO A 83 -0.813 -0.999 11.753 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.699 -3.749 10.989 1.00 0.00 C ATOM 1061 CG PRO A 83 0.136 -4.320 12.096 1.00 0.00 C ATOM 1062 CD PRO A 83 1.363 -3.455 12.229 1.00 0.00 C ATOM 0 HA PRO A 83 0.175 -2.747 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.627 -3.330 11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.975 -4.523 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.425 -4.336 13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.415 -5.350 11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.252 -2.714 13.021 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.249 -4.044 12.466 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.426 -0.423 9.617 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.015 0.896 9.758 1.00 0.00 C ATOM 1072 C LEU A 84 -2.520 0.753 9.663 1.00 0.00 C ATOM 1073 O LEU A 84 -3.055 0.474 8.592 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.505 1.840 8.663 1.00 0.00 C ATOM 1075 CG LEU A 84 0.221 3.093 9.161 1.00 0.00 C ATOM 1076 CD1 LEU A 84 0.489 4.042 8.004 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -0.589 3.792 10.243 1.00 0.00 C ATOM 0 H LEU A 84 -0.035 -0.616 8.695 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.734 1.323 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.170 1.284 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.352 2.151 8.051 1.00 0.00 H new ATOM 0 HG LEU A 84 1.175 2.788 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.005 4.928 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.110 3.543 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.456 4.336 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.054 4.679 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.559 4.085 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.735 3.114 11.083 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.199 0.893 10.786 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.621 0.630 10.818 1.00 0.00 C ATOM 1091 C LYS A 85 -5.423 1.897 10.620 1.00 0.00 C ATOM 1092 O LYS A 85 -5.552 2.721 11.526 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.019 -0.047 12.133 1.00 0.00 C ATOM 1094 CG LYS A 85 -4.395 -1.417 12.327 1.00 0.00 C ATOM 1095 CD LYS A 85 -4.244 -1.759 13.800 1.00 0.00 C ATOM 1096 CE LYS A 85 -4.112 -3.260 14.011 1.00 0.00 C ATOM 1097 NZ LYS A 85 -4.106 -3.621 15.451 1.00 0.00 N ATOM 0 H LYS A 85 -2.794 1.183 11.676 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.847 -0.045 9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.729 0.596 12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.104 -0.143 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.013 -2.171 11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.418 -1.444 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.366 -1.255 14.204 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.107 -1.387 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.937 -3.770 13.513 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.192 -3.612 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.014 -4.652 15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.304 -3.155 15.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.995 -3.309 15.891 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.976 2.023 9.431 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.799 3.154 9.077 1.00 0.00 C ATOM 1113 C TYR A 86 -7.999 2.674 8.262 1.00 0.00 C ATOM 1114 O TYR A 86 -7.892 2.419 7.070 1.00 0.00 O ATOM 1115 CB TYR A 86 -5.966 4.152 8.280 1.00 0.00 C ATOM 1116 CG TYR A 86 -5.125 5.100 9.113 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -5.525 5.490 10.382 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -3.930 5.611 8.617 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -4.762 6.361 11.134 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -3.162 6.480 9.363 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.582 6.851 10.621 1.00 0.00 C ATOM 1122 OH TYR A 86 -2.817 7.721 11.364 1.00 0.00 O ATOM 0 H TYR A 86 -5.865 1.339 8.682 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.167 3.646 9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.307 3.599 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.635 4.741 7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.449 5.106 10.789 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.598 5.322 7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.089 6.657 12.120 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.237 6.867 8.963 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.017 7.969 10.855 1.00 0.00 H new ATOM 1132 N GLU A 87 -9.142 2.525 8.912 1.00 0.00 N ATOM 1133 CA GLU A 87 -10.342 2.072 8.221 1.00 0.00 C ATOM 1134 C GLU A 87 -11.332 3.213 8.045 1.00 0.00 C ATOM 1135 O GLU A 87 -11.614 3.942 8.995 1.00 0.00 O ATOM 1136 CB GLU A 87 -11.012 0.929 8.983 1.00 0.00 C ATOM 1137 CG GLU A 87 -10.054 -0.159 9.432 1.00 0.00 C ATOM 1138 CD GLU A 87 -10.296 -0.582 10.863 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -11.471 -0.622 11.284 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -9.315 -0.872 11.573 1.00 0.00 O ATOM 0 H GLU A 87 -9.266 2.709 9.908 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.037 1.713 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.518 1.337 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.779 0.484 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.158 -1.024 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.029 0.197 9.329 1.00 0.00 H new ATOM 1147 N ASP A 88 -11.828 3.359 6.821 1.00 0.00 N ATOM 1148 CA ASP A 88 -12.877 4.332 6.494 1.00 0.00 C ATOM 1149 C ASP A 88 -12.372 5.770 6.559 1.00 0.00 C ATOM 1150 O ASP A 88 -12.169 6.330 7.636 1.00 0.00 O ATOM 1151 CB ASP A 88 -14.098 4.165 7.406 1.00 0.00 C ATOM 1152 CG ASP A 88 -15.210 5.138 7.059 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -15.301 5.543 5.880 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -15.997 5.501 7.959 1.00 0.00 O ATOM 0 H ASP A 88 -11.516 2.807 6.022 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.175 4.128 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.472 3.144 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.798 4.314 8.443 1.00 0.00 H new ATOM 1159 N TYR A 89 -12.182 6.365 5.390 1.00 0.00 N ATOM 1160 CA TYR A 89 -11.800 7.765 5.304 1.00 0.00 C ATOM 1161 C TYR A 89 -12.985 8.597 4.835 1.00 0.00 C ATOM 1162 O TYR A 89 -12.817 9.666 4.240 1.00 0.00 O ATOM 1163 CB TYR A 89 -10.602 7.962 4.366 1.00 0.00 C ATOM 1164 CG TYR A 89 -10.727 7.268 3.026 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.349 7.890 1.949 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -10.203 5.998 2.834 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -11.451 7.261 0.723 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -10.303 5.364 1.612 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.925 6.000 0.560 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.022 5.373 -0.659 1.00 0.00 O ATOM 0 H TYR A 89 -12.286 5.899 4.489 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.499 8.098 6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.463 9.030 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.703 7.599 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.759 8.881 2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.709 5.497 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.941 7.756 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.895 4.373 1.481 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.600 4.490 -0.607 1.00 0.00 H new ATOM 1180 N TYR A 90 -14.184 8.075 5.099 1.00 0.00 N ATOM 1181 CA TYR A 90 -15.439 8.758 4.793 1.00 0.00 C ATOM 1182 C TYR A 90 -15.656 8.870 3.286 1.00 0.00 C ATOM 1183 O TYR A 90 -14.949 8.240 2.498 1.00 0.00 O ATOM 1184 CB TYR A 90 -15.481 10.139 5.460 1.00 0.00 C ATOM 1185 CG TYR A 90 -15.126 10.103 6.929 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -15.890 9.372 7.829 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -14.021 10.793 7.414 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -15.564 9.328 9.170 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -13.689 10.754 8.753 1.00 0.00 C ATOM 1190 CZ TYR A 90 -14.464 10.021 9.628 1.00 0.00 C ATOM 1191 OH TYR A 90 -14.138 9.982 10.967 1.00 0.00 O ATOM 0 H TYR A 90 -14.311 7.161 5.534 1.00 0.00 H new ATOM 0 HA TYR A 90 -16.255 8.159 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.791 10.806 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -16.479 10.561 5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.753 8.829 7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.413 11.369 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -16.168 8.753 9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.827 11.295 9.114 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.336 10.522 11.124 1.00 0.00 H new ATOM 1201 N THR A 91 -16.629 9.676 2.890 1.00 0.00 N ATOM 1202 CA THR A 91 -17.000 9.802 1.488 1.00 0.00 C ATOM 1203 C THR A 91 -16.092 10.784 0.744 1.00 0.00 C ATOM 1204 O THR A 91 -16.437 11.265 -0.338 1.00 0.00 O ATOM 1205 CB THR A 91 -18.462 10.266 1.365 1.00 0.00 C ATOM 1206 OG1 THR A 91 -19.028 10.434 2.674 1.00 0.00 O ATOM 1207 CG2 THR A 91 -19.290 9.265 0.571 1.00 0.00 C ATOM 0 H THR A 91 -17.179 10.256 3.524 1.00 0.00 H new ATOM 0 HA THR A 91 -16.883 8.819 1.032 1.00 0.00 H new ATOM 0 HB THR A 91 -18.476 11.218 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 91 -18.768 11.308 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 91 -20.319 9.619 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 91 -18.872 9.160 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 91 -19.273 8.298 1.074 1.00 0.00 H new ATOM 1215 N SER A 92 -14.930 11.065 1.322 1.00 0.00 N ATOM 1216 CA SER A 92 -13.977 11.995 0.734 1.00 0.00 C ATOM 1217 C SER A 92 -13.409 11.452 -0.578 1.00 0.00 C ATOM 1218 O SER A 92 -13.055 12.218 -1.475 1.00 0.00 O ATOM 1219 CB SER A 92 -12.854 12.267 1.736 1.00 0.00 C ATOM 1220 OG SER A 92 -13.302 12.035 3.066 1.00 0.00 O ATOM 0 H SER A 92 -14.624 10.657 2.206 1.00 0.00 H new ATOM 0 HA SER A 92 -14.492 12.928 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.001 11.625 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.512 13.297 1.636 1.00 0.00 H new ATOM 0 HG SER A 92 -12.941 11.183 3.389 1.00 0.00 H new ATOM 1226 N GLY A 93 -13.336 10.129 -0.685 1.00 0.00 N ATOM 1227 CA GLY A 93 -12.844 9.504 -1.900 1.00 0.00 C ATOM 1228 C GLY A 93 -11.389 9.827 -2.175 1.00 0.00 C ATOM 1229 O GLY A 93 -10.509 9.422 -1.413 1.00 0.00 O ATOM 0 H GLY A 93 -13.610 9.477 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.964 8.423 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.451 9.832 -2.744 1.00 0.00 H new ATOM 1233 N LEU A 94 -11.151 10.571 -3.260 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.803 10.964 -3.688 1.00 0.00 C ATOM 1235 C LEU A 94 -8.995 9.759 -4.168 1.00 0.00 C ATOM 1236 O LEU A 94 -9.494 8.635 -4.212 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.054 11.688 -2.562 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.998 13.211 -2.692 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -9.668 13.875 -1.497 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.555 13.677 -2.829 1.00 0.00 C ATOM 0 H LEU A 94 -11.891 10.920 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.919 11.652 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.527 11.437 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.034 11.305 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.541 13.503 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.618 14.958 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.711 13.563 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.155 13.580 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.530 14.763 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.990 13.374 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.110 13.228 -3.717 1.00 0.00 H new ATOM 1252 N SER A 95 -7.752 10.008 -4.556 1.00 0.00 N ATOM 1253 CA SER A 95 -6.866 8.950 -5.015 1.00 0.00 C ATOM 1254 C SER A 95 -5.681 8.817 -4.068 1.00 0.00 C ATOM 1255 O SER A 95 -4.923 9.767 -3.871 1.00 0.00 O ATOM 1256 CB SER A 95 -6.384 9.249 -6.437 1.00 0.00 C ATOM 1257 OG SER A 95 -7.437 9.784 -7.231 1.00 0.00 O ATOM 0 H SER A 95 -7.334 10.938 -4.562 1.00 0.00 H new ATOM 0 HA SER A 95 -7.412 8.007 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.555 9.956 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.006 8.336 -6.896 1.00 0.00 H new ATOM 0 HG SER A 95 -7.154 9.819 -8.169 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.536 7.641 -3.477 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.481 7.397 -2.507 1.00 0.00 C ATOM 1265 C TRP A 96 -3.508 6.368 -3.050 1.00 0.00 C ATOM 1266 O TRP A 96 -3.833 5.623 -3.975 1.00 0.00 O ATOM 1267 CB TRP A 96 -5.057 6.895 -1.181 1.00 0.00 C ATOM 1268 CG TRP A 96 -6.147 7.753 -0.613 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.403 7.933 -1.118 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -6.079 8.539 0.578 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -8.115 8.787 -0.317 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -7.326 9.174 0.733 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -5.086 8.768 1.532 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.602 10.022 1.800 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.360 9.611 2.589 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.610 10.226 2.716 1.00 0.00 C ATOM 0 H TRP A 96 -6.139 6.838 -3.654 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.963 8.340 -2.329 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.444 5.886 -1.326 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.250 6.825 -0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.780 7.470 -2.018 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.077 9.086 -0.477 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -4.120 8.293 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.565 10.501 1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.597 9.799 3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.795 10.877 3.558 1.00 0.00 H new ATOM 1287 N ILE A 97 -2.329 6.318 -2.464 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.296 5.416 -2.928 1.00 0.00 C ATOM 1289 C ILE A 97 -0.448 4.889 -1.771 1.00 0.00 C ATOM 1290 O ILE A 97 -0.267 5.567 -0.755 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.399 6.127 -3.970 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.093 5.198 -5.130 1.00 0.00 C ATOM 1293 CG2 ILE A 97 0.889 6.632 -3.349 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -1.218 5.118 -6.131 1.00 0.00 C ATOM 0 H ILE A 97 -2.063 6.893 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.784 4.561 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.950 6.991 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.811 5.540 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.115 4.200 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.492 7.125 -4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.656 7.342 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.446 5.792 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.940 4.439 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.117 4.748 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.411 6.109 -6.542 1.00 0.00 H new ATOM 1306 N TRP A 98 0.044 3.668 -1.924 1.00 0.00 N ATOM 1307 CA TRP A 98 1.027 3.119 -1.008 1.00 0.00 C ATOM 1308 C TRP A 98 2.399 3.190 -1.666 1.00 0.00 C ATOM 1309 O TRP A 98 2.712 2.394 -2.555 1.00 0.00 O ATOM 1310 CB TRP A 98 0.702 1.664 -0.654 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.577 1.470 0.109 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.692 0.818 -0.333 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.872 1.907 1.446 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.657 0.813 0.642 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.180 1.475 1.743 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.163 2.617 2.423 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.789 1.726 2.970 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.773 2.865 3.644 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.075 2.421 3.909 1.00 0.00 C ATOM 0 H TRP A 98 -0.225 3.037 -2.679 1.00 0.00 H new ATOM 0 HA TRP A 98 1.014 3.700 -0.086 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.650 1.084 -1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.524 1.256 -0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -1.799 0.370 -1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.580 0.386 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.841 2.965 2.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.793 1.383 3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.234 3.411 4.404 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.523 2.630 4.869 1.00 0.00 H new ATOM 1330 N LYS A 99 3.204 4.156 -1.258 1.00 0.00 N ATOM 1331 CA LYS A 99 4.507 4.362 -1.870 1.00 0.00 C ATOM 1332 C LYS A 99 5.589 3.625 -1.096 1.00 0.00 C ATOM 1333 O LYS A 99 5.992 4.048 -0.013 1.00 0.00 O ATOM 1334 CB LYS A 99 4.833 5.853 -1.941 1.00 0.00 C ATOM 1335 CG LYS A 99 5.569 6.260 -3.208 1.00 0.00 C ATOM 1336 CD LYS A 99 6.504 7.431 -2.954 1.00 0.00 C ATOM 1337 CE LYS A 99 7.259 7.825 -4.212 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.110 9.022 -3.995 1.00 0.00 N ATOM 0 H LYS A 99 2.980 4.809 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 99 4.474 3.961 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.906 6.422 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.439 6.125 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.140 5.412 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.847 6.529 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.930 8.284 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.214 7.167 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.881 6.992 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.549 8.025 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.941 8.975 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.563 9.880 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.423 9.051 -3.004 1.00 0.00 H new ATOM 1352 N ILE A 100 6.046 2.517 -1.654 1.00 0.00 N ATOM 1353 CA ILE A 100 7.096 1.725 -1.031 1.00 0.00 C ATOM 1354 C ILE A 100 8.465 2.294 -1.368 1.00 0.00 C ATOM 1355 O ILE A 100 8.995 2.070 -2.456 1.00 0.00 O ATOM 1356 CB ILE A 100 7.032 0.243 -1.461 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.614 -0.304 -1.273 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.037 -0.585 -0.668 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.402 -1.669 -1.892 1.00 0.00 C ATOM 0 H ILE A 100 5.706 2.143 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 100 6.936 1.773 0.046 1.00 0.00 H new ATOM 0 HB ILE A 100 7.290 0.175 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.394 -0.360 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.903 0.397 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.979 -1.627 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.043 -0.207 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.808 -0.514 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.375 -1.992 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.589 -1.615 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.088 -2.384 -1.439 1.00 0.00 H new ATOM 1371 N LYS A 101 9.013 3.056 -0.437 1.00 0.00 N ATOM 1372 CA LYS A 101 10.359 3.577 -0.566 1.00 0.00 C ATOM 1373 C LYS A 101 11.319 2.679 0.195 1.00 0.00 C ATOM 1374 O LYS A 101 11.340 2.673 1.428 1.00 0.00 O ATOM 1375 CB LYS A 101 10.450 5.001 -0.017 1.00 0.00 C ATOM 1376 CG LYS A 101 10.421 6.077 -1.086 1.00 0.00 C ATOM 1377 CD LYS A 101 11.808 6.647 -1.322 1.00 0.00 C ATOM 1378 CE LYS A 101 11.895 8.108 -0.919 1.00 0.00 C ATOM 1379 NZ LYS A 101 11.592 9.013 -2.058 1.00 0.00 N ATOM 0 H LYS A 101 8.539 3.329 0.424 1.00 0.00 H new ATOM 0 HA LYS A 101 10.623 3.599 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.623 5.167 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.370 5.100 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.032 5.661 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.742 6.875 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.539 6.070 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.068 6.545 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.197 8.303 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.895 8.322 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.824 9.992 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.158 8.733 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.581 8.948 -2.293 1.00 0.00 H new ATOM 1393 N ASN A 102 12.095 1.911 -0.528 1.00 0.00 N ATOM 1394 CA ASN A 102 13.026 0.997 0.093 1.00 0.00 C ATOM 1395 C ASN A 102 14.299 1.731 0.503 1.00 0.00 C ATOM 1396 O ASN A 102 14.927 2.408 -0.308 1.00 0.00 O ATOM 1397 CB ASN A 102 13.326 -0.161 -0.854 1.00 0.00 C ATOM 1398 CG ASN A 102 14.495 -1.011 -0.394 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.692 -1.228 0.803 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.279 -1.499 -1.342 1.00 0.00 N ATOM 0 H ASN A 102 12.102 1.899 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 102 12.578 0.586 0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.440 -0.789 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.539 0.234 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.081 -2.078 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.081 -1.296 -2.322 1.00 0.00 H new ATOM 1407 N ASN A 103 14.654 1.601 1.774 1.00 0.00 N ATOM 1408 CA ASN A 103 15.800 2.303 2.339 1.00 0.00 C ATOM 1409 C ASN A 103 17.103 1.644 1.909 1.00 0.00 C ATOM 1410 O ASN A 103 18.069 2.322 1.558 1.00 0.00 O ATOM 1411 CB ASN A 103 15.694 2.315 3.870 1.00 0.00 C ATOM 1412 CG ASN A 103 17.046 2.327 4.564 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.439 1.183 5.106 1.00 0.00 O flip ATOM 1414 ND2 ASN A 103 17.724 3.351 4.618 1.00 0.00 N flip ATOM 0 H ASN A 103 14.159 1.009 2.441 1.00 0.00 H new ATOM 0 HA ASN A 103 15.799 3.328 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.125 3.191 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.133 1.439 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.384 4.211 4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.626 3.341 5.093 1.00 0.00 H new ATOM 1421 N SER A 104 17.115 0.321 1.938 1.00 0.00 N ATOM 1422 CA SER A 104 18.305 -0.441 1.604 1.00 0.00 C ATOM 1423 C SER A 104 18.683 -0.241 0.142 1.00 0.00 C ATOM 1424 O SER A 104 17.836 -0.329 -0.744 1.00 0.00 O ATOM 1425 CB SER A 104 18.062 -1.921 1.890 1.00 0.00 C ATOM 1426 OG SER A 104 16.790 -2.119 2.490 1.00 0.00 O ATOM 0 H SER A 104 16.308 -0.249 2.191 1.00 0.00 H new ATOM 0 HA SER A 104 19.132 -0.086 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.123 -2.490 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.843 -2.301 2.549 1.00 0.00 H new ATOM 0 HG SER A 104 16.091 -1.771 1.898 1.00 0.00 H new ATOM 1432 N SER A 105 19.957 0.024 -0.103 1.00 0.00 N ATOM 1433 CA SER A 105 20.452 0.222 -1.453 1.00 0.00 C ATOM 1434 C SER A 105 20.647 -1.115 -2.171 1.00 0.00 C ATOM 1435 O SER A 105 21.194 -1.171 -3.271 1.00 0.00 O ATOM 1436 CB SER A 105 21.761 1.006 -1.401 1.00 0.00 C ATOM 1437 OG SER A 105 21.922 1.622 -0.130 1.00 0.00 O ATOM 0 H SER A 105 20.670 0.107 0.622 1.00 0.00 H new ATOM 0 HA SER A 105 19.715 0.791 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.600 0.338 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.769 1.765 -2.183 1.00 0.00 H new ATOM 0 HG SER A 105 22.766 2.119 -0.112 1.00 0.00 H new ATOM 1443 N GLU A 106 20.186 -2.190 -1.538 1.00 0.00 N ATOM 1444 CA GLU A 106 20.245 -3.517 -2.131 1.00 0.00 C ATOM 1445 C GLU A 106 18.842 -4.097 -2.302 1.00 0.00 C ATOM 1446 O GLU A 106 17.856 -3.494 -1.869 1.00 0.00 O ATOM 1447 CB GLU A 106 21.095 -4.447 -1.264 1.00 0.00 C ATOM 1448 CG GLU A 106 22.427 -4.819 -1.893 1.00 0.00 C ATOM 1449 CD GLU A 106 22.340 -4.967 -3.398 1.00 0.00 C ATOM 1450 OE1 GLU A 106 21.450 -5.696 -3.878 1.00 0.00 O ATOM 1451 OE2 GLU A 106 23.159 -4.355 -4.113 1.00 0.00 O ATOM 0 H GLU A 106 19.766 -2.164 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 106 20.705 -3.431 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.278 -3.967 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.531 -5.358 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 106 23.166 -4.055 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.781 -5.755 -1.460 1.00 0.00 H new ATOM 1458 N THR A 107 18.762 -5.270 -2.921 1.00 0.00 N ATOM 1459 CA THR A 107 17.488 -5.942 -3.134 1.00 0.00 C ATOM 1460 C THR A 107 16.822 -6.272 -1.804 1.00 0.00 C ATOM 1461 O THR A 107 17.421 -6.914 -0.938 1.00 0.00 O ATOM 1462 CB THR A 107 17.676 -7.238 -3.942 1.00 0.00 C ATOM 1463 OG1 THR A 107 19.064 -7.420 -4.255 1.00 0.00 O ATOM 1464 CG2 THR A 107 16.864 -7.198 -5.226 1.00 0.00 C ATOM 0 H THR A 107 19.569 -5.776 -3.285 1.00 0.00 H new ATOM 0 HA THR A 107 16.850 -5.261 -3.697 1.00 0.00 H new ATOM 0 HB THR A 107 17.326 -8.073 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 107 19.178 -8.247 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 107 17.013 -8.125 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.807 -7.086 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 107 17.189 -6.355 -5.836 1.00 0.00 H new ATOM 1472 N SER A 108 15.592 -5.814 -1.634 1.00 0.00 N ATOM 1473 CA SER A 108 14.861 -6.053 -0.403 1.00 0.00 C ATOM 1474 C SER A 108 13.509 -6.702 -0.691 1.00 0.00 C ATOM 1475 O SER A 108 12.830 -6.341 -1.648 1.00 0.00 O ATOM 1476 CB SER A 108 14.682 -4.737 0.353 1.00 0.00 C ATOM 1477 OG SER A 108 15.818 -3.904 0.179 1.00 0.00 O ATOM 0 H SER A 108 15.081 -5.275 -2.333 1.00 0.00 H new ATOM 0 HA SER A 108 15.433 -6.742 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.789 -4.224 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.530 -4.938 1.414 1.00 0.00 H new ATOM 0 HG SER A 108 15.907 -3.306 0.951 1.00 0.00 H new ATOM 1483 N ASN A 109 13.140 -7.676 0.125 1.00 0.00 N ATOM 1484 CA ASN A 109 11.870 -8.371 -0.035 1.00 0.00 C ATOM 1485 C ASN A 109 10.841 -7.821 0.943 1.00 0.00 C ATOM 1486 O ASN A 109 11.095 -7.744 2.149 1.00 0.00 O ATOM 1487 CB ASN A 109 12.057 -9.875 0.183 1.00 0.00 C ATOM 1488 CG ASN A 109 10.822 -10.686 -0.172 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.783 -10.582 0.478 1.00 0.00 O ATOM 1490 ND2 ASN A 109 10.937 -11.512 -1.196 1.00 0.00 N ATOM 0 H ASN A 109 13.704 -8.005 0.909 1.00 0.00 H new ATOM 0 HA ASN A 109 11.509 -8.208 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.897 -10.222 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.316 -10.056 1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.146 -12.093 -1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 109 11.817 -11.568 -1.709 1.00 0.00 H new ATOM 1497 N TYR A 110 9.686 -7.443 0.419 1.00 0.00 N ATOM 1498 CA TYR A 110 8.630 -6.860 1.231 1.00 0.00 C ATOM 1499 C TYR A 110 7.362 -7.707 1.159 1.00 0.00 C ATOM 1500 O TYR A 110 7.033 -8.266 0.109 1.00 0.00 O ATOM 1501 CB TYR A 110 8.347 -5.417 0.788 1.00 0.00 C ATOM 1502 CG TYR A 110 7.905 -5.273 -0.657 1.00 0.00 C ATOM 1503 CD1 TYR A 110 8.821 -5.305 -1.703 1.00 0.00 C ATOM 1504 CD2 TYR A 110 6.565 -5.102 -0.969 1.00 0.00 C ATOM 1505 CE1 TYR A 110 8.411 -5.173 -3.017 1.00 0.00 C ATOM 1506 CE2 TYR A 110 6.148 -4.968 -2.279 1.00 0.00 C ATOM 1507 CZ TYR A 110 7.072 -5.006 -3.299 1.00 0.00 C ATOM 1508 OH TYR A 110 6.660 -4.871 -4.604 1.00 0.00 O ATOM 0 H TYR A 110 9.455 -7.530 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 110 8.965 -6.841 2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.575 -4.998 1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.247 -4.821 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.871 -5.435 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.835 -5.073 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.135 -5.201 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 110 5.100 -4.834 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 110 5.686 -4.763 -4.630 1.00 0.00 H new ATOM 1518 N SER A 111 6.670 -7.815 2.283 1.00 0.00 N ATOM 1519 CA SER A 111 5.421 -8.555 2.349 1.00 0.00 C ATOM 1520 C SER A 111 4.320 -7.670 2.935 1.00 0.00 C ATOM 1521 O SER A 111 3.998 -7.751 4.120 1.00 0.00 O ATOM 1522 CB SER A 111 5.602 -9.814 3.199 1.00 0.00 C ATOM 1523 OG SER A 111 6.823 -9.769 3.930 1.00 0.00 O ATOM 0 H SER A 111 6.956 -7.396 3.168 1.00 0.00 H new ATOM 0 HA SER A 111 5.130 -8.854 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.765 -9.913 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.592 -10.695 2.557 1.00 0.00 H new ATOM 0 HG SER A 111 7.548 -10.128 3.378 1.00 0.00 H new ATOM 1529 N LEU A 112 3.760 -6.814 2.103 1.00 0.00 N ATOM 1530 CA LEU A 112 2.786 -5.834 2.552 1.00 0.00 C ATOM 1531 C LEU A 112 1.372 -6.231 2.131 1.00 0.00 C ATOM 1532 O LEU A 112 1.025 -6.194 0.957 1.00 0.00 O ATOM 1533 CB LEU A 112 3.165 -4.453 1.992 1.00 0.00 C ATOM 1534 CG LEU A 112 2.035 -3.422 1.893 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.583 -2.990 3.271 1.00 0.00 C ATOM 1536 CD2 LEU A 112 2.486 -2.212 1.089 1.00 0.00 C ATOM 0 H LEU A 112 3.964 -6.776 1.104 1.00 0.00 H new ATOM 0 HA LEU A 112 2.796 -5.792 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.954 -4.036 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.588 -4.593 0.997 1.00 0.00 H new ATOM 0 HG LEU A 112 1.194 -3.889 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.781 -2.258 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.221 -3.857 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.421 -2.543 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.671 -1.491 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.344 -1.750 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.766 -2.527 0.084 1.00 0.00 H new ATOM 1548 N ASP A 113 0.567 -6.639 3.097 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.845 -6.895 2.846 1.00 0.00 C ATOM 1550 C ASP A 113 -1.612 -5.618 3.112 1.00 0.00 C ATOM 1551 O ASP A 113 -1.341 -4.936 4.104 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.385 -8.004 3.754 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.677 -9.331 3.575 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -0.727 -9.893 2.459 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -0.091 -9.831 4.559 1.00 0.00 O ATOM 0 H ASP A 113 0.863 -6.800 4.060 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.966 -7.220 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.292 -7.689 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.448 -8.139 3.556 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.558 -5.262 2.251 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.268 -3.997 2.474 1.00 0.00 C ATOM 1562 C ALA A 114 -4.760 -4.106 2.200 1.00 0.00 C ATOM 1563 O ALA A 114 -5.181 -4.156 1.055 1.00 0.00 O ATOM 1564 CB ALA A 114 -2.658 -2.895 1.619 1.00 0.00 C ATOM 0 H ALA A 114 -2.845 -5.796 1.431 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.154 -3.749 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.193 -1.961 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.609 -2.767 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.735 -3.167 0.566 1.00 0.00 H new ATOM 1570 N THR A 115 -5.552 -4.097 3.264 1.00 0.00 N ATOM 1571 CA THR A 115 -7.001 -4.174 3.156 1.00 0.00 C ATOM 1572 C THR A 115 -7.656 -3.428 4.302 1.00 0.00 C ATOM 1573 O THR A 115 -7.129 -3.411 5.408 1.00 0.00 O ATOM 1574 CB THR A 115 -7.495 -5.628 3.194 1.00 0.00 C ATOM 1575 OG1 THR A 115 -6.448 -6.489 3.663 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.961 -6.073 1.825 1.00 0.00 C ATOM 0 H THR A 115 -5.209 -4.036 4.223 1.00 0.00 H new ATOM 0 HA THR A 115 -7.272 -3.725 2.200 1.00 0.00 H new ATOM 0 HB THR A 115 -8.341 -5.687 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.771 -7.414 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.306 -7.106 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.779 -5.433 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.134 -6.001 1.118 1.00 0.00 H new