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 56 ASN :FLIP amide:sc= -0.578 F(o=-0.28,f=0.87) USER MOD Set 1.2: A 102 ASN : amide:sc= 1.05 K(o=0.87,f=-2.2) USER MOD Set 1.3: A 108 SER OG : rot -105:sc= 0.402 USER MOD Set 2.1: A 85 LYS NZ :NH3+ 146:sc=-0.00163 (180deg=0) USER MOD Set 2.2: A 89 TYR OH : rot 30:sc= 0.0252 USER MOD Set 3.1: A 54 ASN : amide:sc= 0.186 K(o=-1.2,f=-2.1) USER MOD Set 3.2: A 59 MET CE :methyl 164:sc= -1.42 (180deg=-1.44) USER MOD Set 4.1: A 53 THR OG1 : rot 107:sc= 2.32 USER MOD Set 4.2: A 109 ASN : amide:sc= 1.3 K(o=4.7,f=1.5) USER MOD Set 4.3: A 111 SER OG : rot -92:sc= 1.08 USER MOD Single : A 20 THR OG1 : rot -52:sc= 1.12 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.886! C(o=-0.89!,f=-1.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.259 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.497 K(o=0.5,f=-4.8!) USER MOD Single : A 52 SER OG : rot 110:sc= -2.88! USER MOD Single : A 60 THR OG1 : rot -110:sc= -0.0262 USER MOD Single : A 66 ASN : amide:sc= -0.745 K(o=-0.75,f=-3.4!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.734) USER MOD Single : A 78 ASN : amide:sc= -3.01! C(o=-3!,f=-3.4!) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= 1.15 (180deg=-0.257) USER MOD Single : A 86 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 180:sc=-0.00162 USER MOD Single : A 92 SER OG : rot 134:sc= 0.898 USER MOD Single : A 95 SER OG : rot 180:sc= 0.00871 USER MOD Single : A 99 LYS NZ :NH3+ 137:sc= 1.06 (180deg=0.41) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 1.93 (180deg=1.61) USER MOD Single : A 103 ASN : amide:sc= 1.17 K(o=1.2,f=-0.097) USER MOD Single : A 104 SER OG : rot 127:sc= 1.2 USER MOD Single : A 105 SER OG : rot 180:sc= 0.145 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.770 -8.212 -0.081 1.00 0.00 N ATOM 92 CA ALA A 19 -3.856 -9.201 -0.617 1.00 0.00 C ATOM 93 C ALA A 19 -2.422 -8.880 -0.227 1.00 0.00 C ATOM 94 O ALA A 19 -2.016 -7.716 -0.218 1.00 0.00 O ATOM 95 CB ALA A 19 -3.993 -9.292 -2.127 1.00 0.00 C ATOM 0 HA ALA A 19 -4.114 -10.170 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.299 -10.040 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.013 -9.578 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.766 -8.323 -2.572 1.00 0.00 H new ATOM 101 N THR A 20 -1.669 -9.923 0.089 1.00 0.00 N ATOM 102 CA THR A 20 -0.295 -9.778 0.531 1.00 0.00 C ATOM 103 C THR A 20 0.674 -10.000 -0.624 1.00 0.00 C ATOM 104 O THR A 20 0.869 -11.128 -1.082 1.00 0.00 O ATOM 105 CB THR A 20 0.018 -10.772 1.663 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.207 -11.205 2.281 1.00 0.00 O ATOM 107 CG2 THR A 20 0.932 -10.145 2.708 1.00 0.00 C ATOM 0 H THR A 20 -1.994 -10.889 0.046 1.00 0.00 H new ATOM 0 HA THR A 20 -0.172 -8.761 0.904 1.00 0.00 H new ATOM 0 HB THR A 20 0.534 -11.630 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.738 -10.423 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.136 -10.871 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.869 -9.846 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.446 -9.270 3.138 1.00 0.00 H new ATOM 115 N TYR A 21 1.266 -8.919 -1.097 1.00 0.00 N ATOM 116 CA TYR A 21 2.220 -8.982 -2.191 1.00 0.00 C ATOM 117 C TYR A 21 3.633 -9.081 -1.641 1.00 0.00 C ATOM 118 O TYR A 21 4.113 -8.167 -0.969 1.00 0.00 O ATOM 119 CB TYR A 21 2.073 -7.753 -3.087 1.00 0.00 C ATOM 120 CG TYR A 21 0.628 -7.371 -3.324 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.213 -8.196 -4.061 1.00 0.00 C ATOM 122 CD2 TYR A 21 0.097 -6.204 -2.790 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.541 -7.871 -4.255 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.231 -5.872 -2.986 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.043 -6.708 -3.716 1.00 0.00 C ATOM 126 OH TYR A 21 -3.367 -6.389 -3.895 1.00 0.00 O ATOM 0 H TYR A 21 1.102 -7.979 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 21 2.019 -9.870 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.597 -6.912 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.555 -7.948 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.179 -9.107 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.730 -5.546 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.182 -8.526 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.629 -4.959 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.561 -5.537 -3.451 1.00 0.00 H new ATOM 136 N THR A 22 4.286 -10.198 -1.912 1.00 0.00 N ATOM 137 CA THR A 22 5.623 -10.448 -1.404 1.00 0.00 C ATOM 138 C THR A 22 6.671 -10.224 -2.490 1.00 0.00 C ATOM 139 O THR A 22 7.407 -11.140 -2.858 1.00 0.00 O ATOM 140 CB THR A 22 5.743 -11.886 -0.873 1.00 0.00 C ATOM 141 OG1 THR A 22 4.695 -12.699 -1.425 1.00 0.00 O ATOM 142 CG2 THR A 22 5.669 -11.916 0.645 1.00 0.00 C ATOM 0 H THR A 22 3.908 -10.952 -2.486 1.00 0.00 H new ATOM 0 HA THR A 22 5.800 -9.747 -0.589 1.00 0.00 H new ATOM 0 HB THR A 22 6.712 -12.282 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.777 -13.614 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.756 -12.945 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.483 -11.322 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.715 -11.503 0.971 1.00 0.00 H new ATOM 150 N GLY A 23 6.736 -9.000 -2.992 1.00 0.00 N ATOM 151 CA GLY A 23 7.641 -8.695 -4.079 1.00 0.00 C ATOM 152 C GLY A 23 8.979 -8.171 -3.597 1.00 0.00 C ATOM 153 O GLY A 23 9.211 -8.045 -2.395 1.00 0.00 O ATOM 0 H GLY A 23 6.177 -8.212 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.801 -9.593 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.180 -7.955 -4.733 1.00 0.00 H new ATOM 157 N THR A 24 9.860 -7.874 -4.534 1.00 0.00 N ATOM 158 CA THR A 24 11.171 -7.341 -4.213 1.00 0.00 C ATOM 159 C THR A 24 11.301 -5.897 -4.697 1.00 0.00 C ATOM 160 O THR A 24 11.347 -5.636 -5.902 1.00 0.00 O ATOM 161 CB THR A 24 12.284 -8.211 -4.831 1.00 0.00 C ATOM 162 OG1 THR A 24 11.729 -9.442 -5.316 1.00 0.00 O ATOM 163 CG2 THR A 24 13.364 -8.519 -3.807 1.00 0.00 C ATOM 0 H THR A 24 9.689 -7.994 -5.532 1.00 0.00 H new ATOM 0 HA THR A 24 11.283 -7.356 -3.129 1.00 0.00 H new ATOM 0 HB THR A 24 12.730 -7.655 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.441 -9.989 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.137 -9.134 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.805 -7.588 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.926 -9.057 -2.966 1.00 0.00 H new ATOM 171 N ILE A 25 11.348 -4.969 -3.744 1.00 0.00 N ATOM 172 CA ILE A 25 11.427 -3.545 -4.051 1.00 0.00 C ATOM 173 C ILE A 25 12.819 -3.187 -4.559 1.00 0.00 C ATOM 174 O ILE A 25 13.824 -3.742 -4.091 1.00 0.00 O ATOM 175 CB ILE A 25 11.082 -2.668 -2.816 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.282 -1.183 -3.128 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.918 -3.068 -1.610 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.004 -0.381 -3.111 1.00 0.00 C ATOM 0 H ILE A 25 11.333 -5.181 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 25 10.691 -3.341 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 25 10.032 -2.834 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.976 -0.759 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.748 -1.087 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.656 -2.438 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.723 -4.111 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.975 -2.942 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.225 0.661 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.315 -0.778 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.547 -0.446 -2.124 1.00 0.00 H new ATOM 190 N GLN A 26 12.872 -2.257 -5.508 1.00 0.00 N ATOM 191 CA GLN A 26 14.126 -1.870 -6.134 1.00 0.00 C ATOM 192 C GLN A 26 15.014 -1.103 -5.161 1.00 0.00 C ATOM 193 O GLN A 26 14.532 -0.528 -4.181 1.00 0.00 O ATOM 194 CB GLN A 26 13.858 -1.020 -7.377 1.00 0.00 C ATOM 195 CG GLN A 26 14.152 -1.740 -8.685 1.00 0.00 C ATOM 196 CD GLN A 26 15.231 -2.795 -8.542 1.00 0.00 C ATOM 197 OE1 GLN A 26 16.410 -2.478 -8.388 1.00 0.00 O ATOM 198 NE2 GLN A 26 14.832 -4.056 -8.578 1.00 0.00 N ATOM 0 H GLN A 26 12.055 -1.757 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 26 14.649 -2.780 -6.428 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.815 -0.705 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.465 -0.116 -7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.238 -2.208 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.459 -1.011 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.844 -4.275 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.512 -4.809 -8.476 1.00 0.00 H new ATOM 207 N GLY A 27 16.309 -1.096 -5.443 1.00 0.00 N ATOM 208 CA GLY A 27 17.252 -0.400 -4.594 1.00 0.00 C ATOM 209 C GLY A 27 17.057 1.100 -4.624 1.00 0.00 C ATOM 210 O GLY A 27 17.018 1.701 -5.701 1.00 0.00 O ATOM 0 H GLY A 27 16.724 -1.563 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.147 -0.757 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.267 -0.638 -4.912 1.00 0.00 H new ATOM 214 N LYS A 28 16.931 1.694 -3.436 1.00 0.00 N ATOM 215 CA LYS A 28 16.727 3.135 -3.283 1.00 0.00 C ATOM 216 C LYS A 28 15.519 3.603 -4.087 1.00 0.00 C ATOM 217 O LYS A 28 15.553 4.655 -4.730 1.00 0.00 O ATOM 218 CB LYS A 28 17.985 3.907 -3.710 1.00 0.00 C ATOM 219 CG LYS A 28 19.272 3.368 -3.104 1.00 0.00 C ATOM 220 CD LYS A 28 20.060 4.461 -2.400 1.00 0.00 C ATOM 221 CE LYS A 28 21.534 4.112 -2.300 1.00 0.00 C ATOM 222 NZ LYS A 28 22.301 4.557 -3.494 1.00 0.00 N ATOM 0 H LYS A 28 16.968 1.188 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 28 16.535 3.338 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.066 3.878 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.871 4.953 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.036 2.574 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.886 2.924 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.944 5.400 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.654 4.617 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.955 4.574 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.643 3.034 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.302 4.297 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.918 4.096 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.221 5.589 -3.593 1.00 0.00 H new ATOM 236 N GLY A 29 14.451 2.820 -4.047 1.00 0.00 N ATOM 237 CA GLY A 29 13.292 3.123 -4.852 1.00 0.00 C ATOM 238 C GLY A 29 12.055 3.418 -4.031 1.00 0.00 C ATOM 239 O GLY A 29 11.999 3.123 -2.836 1.00 0.00 O ATOM 0 H GLY A 29 14.369 1.982 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.513 3.982 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.088 2.282 -5.515 1.00 0.00 H new ATOM 243 N GLU A 30 11.063 4.000 -4.687 1.00 0.00 N ATOM 244 CA GLU A 30 9.776 4.295 -4.071 1.00 0.00 C ATOM 245 C GLU A 30 8.677 3.990 -5.076 1.00 0.00 C ATOM 246 O GLU A 30 8.553 4.670 -6.095 1.00 0.00 O ATOM 247 CB GLU A 30 9.707 5.755 -3.618 1.00 0.00 C ATOM 248 CG GLU A 30 10.421 6.728 -4.545 1.00 0.00 C ATOM 249 CD GLU A 30 9.668 8.032 -4.697 1.00 0.00 C ATOM 250 OE1 GLU A 30 9.597 8.796 -3.714 1.00 0.00 O ATOM 251 OE2 GLU A 30 9.129 8.288 -5.802 1.00 0.00 O ATOM 0 H GLU A 30 11.127 4.282 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 30 9.646 3.675 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.661 6.050 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.140 5.836 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.419 6.930 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.547 6.267 -5.525 1.00 0.00 H new ATOM 258 N VAL A 31 7.883 2.974 -4.782 1.00 0.00 N ATOM 259 CA VAL A 31 7.012 2.349 -5.782 1.00 0.00 C ATOM 260 C VAL A 31 5.675 1.921 -5.165 1.00 0.00 C ATOM 261 O VAL A 31 5.514 1.901 -3.939 1.00 0.00 O ATOM 262 CB VAL A 31 7.679 1.081 -6.383 1.00 0.00 C ATOM 263 CG1 VAL A 31 9.177 1.265 -6.574 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.428 -0.129 -5.489 1.00 0.00 C ATOM 0 H VAL A 31 7.819 2.557 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 31 6.843 3.094 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 31 7.228 0.915 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.604 0.355 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.358 2.099 -7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.644 1.472 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.902 -1.008 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.847 0.056 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.355 -0.301 -5.402 1.00 0.00 H new ATOM 274 N CYS A 32 4.736 1.590 -6.040 1.00 0.00 N ATOM 275 CA CYS A 32 3.371 1.230 -5.668 1.00 0.00 C ATOM 276 C CYS A 32 3.207 -0.252 -5.412 1.00 0.00 C ATOM 277 O CYS A 32 4.132 -1.042 -5.596 1.00 0.00 O ATOM 278 CB CYS A 32 2.466 1.555 -6.833 1.00 0.00 C ATOM 279 SG CYS A 32 3.280 1.232 -8.431 1.00 0.00 S ATOM 0 H CYS A 32 4.902 1.563 -7.046 1.00 0.00 H new ATOM 0 HA CYS A 32 3.129 1.780 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.555 0.961 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.169 2.602 -6.781 1.00 0.00 H new ATOM 0 HG CYS A 32 2.464 1.523 -9.400 1.00 0.00 H new ATOM 284 N ILE A 33 1.996 -0.608 -5.006 1.00 0.00 N ATOM 285 CA ILE A 33 1.524 -1.973 -5.083 1.00 0.00 C ATOM 286 C ILE A 33 0.085 -1.972 -5.606 1.00 0.00 C ATOM 287 O ILE A 33 -0.862 -1.694 -4.873 1.00 0.00 O ATOM 288 CB ILE A 33 1.614 -2.729 -3.734 1.00 0.00 C ATOM 289 CG1 ILE A 33 0.845 -2.009 -2.631 1.00 0.00 C ATOM 290 CG2 ILE A 33 3.060 -2.912 -3.321 1.00 0.00 C ATOM 291 CD1 ILE A 33 -0.118 -2.923 -1.918 1.00 0.00 C ATOM 0 H ILE A 33 1.317 0.045 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 33 2.178 -2.511 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 33 1.157 -3.708 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.550 -1.594 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.297 -1.170 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.102 -3.445 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.586 -3.487 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.533 -1.936 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.642 -2.365 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.841 -3.318 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.431 -3.748 -1.464 1.00 0.00 H new ATOM 476 N LEU A 46 -8.002 3.064 4.972 1.00 0.00 N ATOM 477 CA LEU A 46 -6.601 3.396 5.202 1.00 0.00 C ATOM 478 C LEU A 46 -5.961 2.399 6.165 1.00 0.00 C ATOM 479 O LEU A 46 -5.689 2.723 7.324 1.00 0.00 O ATOM 480 CB LEU A 46 -6.480 4.820 5.756 1.00 0.00 C ATOM 481 CG LEU A 46 -5.559 5.767 4.978 1.00 0.00 C ATOM 482 CD1 LEU A 46 -5.336 5.271 3.561 1.00 0.00 C ATOM 483 CD2 LEU A 46 -6.141 7.172 4.960 1.00 0.00 C ATOM 0 HA LEU A 46 -6.073 3.341 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.476 5.261 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.122 4.760 6.784 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.594 5.791 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.679 5.962 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.876 4.283 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.292 5.211 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.477 7.834 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.120 7.154 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.244 7.536 5.982 1.00 0.00 H new ATOM 495 N TYR A 47 -5.746 1.183 5.678 1.00 0.00 N ATOM 496 CA TYR A 47 -5.107 0.138 6.459 1.00 0.00 C ATOM 497 C TYR A 47 -4.166 -0.678 5.579 1.00 0.00 C ATOM 498 O TYR A 47 -4.560 -1.160 4.514 1.00 0.00 O ATOM 499 CB TYR A 47 -6.159 -0.779 7.093 1.00 0.00 C ATOM 500 CG TYR A 47 -5.586 -2.053 7.671 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.904 -2.042 8.881 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.720 -3.265 7.004 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.372 -3.200 9.410 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.190 -4.427 7.525 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.519 -4.389 8.727 1.00 0.00 C ATOM 506 OH TYR A 47 -3.989 -5.546 9.244 1.00 0.00 O ATOM 0 H TYR A 47 -6.009 0.897 4.735 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.529 0.608 7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.676 -0.233 7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.905 -1.035 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.788 -1.111 9.417 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.248 -3.297 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.844 -3.175 10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.301 -5.361 6.994 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.182 -6.293 8.640 1.00 0.00 H new ATOM 516 N ALA A 48 -2.925 -0.809 6.017 1.00 0.00 N ATOM 517 CA ALA A 48 -1.940 -1.605 5.304 1.00 0.00 C ATOM 518 C ALA A 48 -0.864 -2.092 6.255 1.00 0.00 C ATOM 519 O ALA A 48 -0.385 -1.330 7.089 1.00 0.00 O ATOM 520 CB ALA A 48 -1.309 -0.797 4.187 1.00 0.00 C ATOM 0 H ALA A 48 -2.574 -0.371 6.869 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.448 -2.467 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.574 -1.410 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.081 -0.480 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.817 0.081 4.606 1.00 0.00 H new ATOM 526 N VAL A 49 -0.491 -3.353 6.143 1.00 0.00 N ATOM 527 CA VAL A 49 0.614 -3.868 6.932 1.00 0.00 C ATOM 528 C VAL A 49 1.764 -4.281 6.025 1.00 0.00 C ATOM 529 O VAL A 49 1.644 -5.207 5.222 1.00 0.00 O ATOM 530 CB VAL A 49 0.201 -5.050 7.846 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.634 -6.075 7.095 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.431 -5.701 8.471 1.00 0.00 C ATOM 0 H VAL A 49 -0.930 -4.033 5.522 1.00 0.00 H new ATOM 0 HA VAL A 49 0.938 -3.059 7.587 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.421 -4.648 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.904 -6.888 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.540 -5.600 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.057 -6.472 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.120 -6.528 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.084 -6.076 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.969 -4.965 9.068 1.00 0.00 H new ATOM 542 N LEU A 50 2.868 -3.567 6.139 1.00 0.00 N ATOM 543 CA LEU A 50 4.055 -3.889 5.372 1.00 0.00 C ATOM 544 C LEU A 50 4.987 -4.743 6.213 1.00 0.00 C ATOM 545 O LEU A 50 5.562 -4.266 7.191 1.00 0.00 O ATOM 546 CB LEU A 50 4.776 -2.615 4.912 1.00 0.00 C ATOM 547 CG LEU A 50 6.055 -2.845 4.098 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.718 -3.246 2.670 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.929 -1.598 4.107 1.00 0.00 C ATOM 0 H LEU A 50 2.967 -2.760 6.755 1.00 0.00 H new ATOM 0 HA LEU A 50 3.755 -4.445 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.085 -2.022 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.026 -2.021 5.791 1.00 0.00 H new ATOM 0 HG LEU A 50 6.611 -3.659 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.639 -3.404 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.136 -4.167 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.137 -2.454 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.831 -1.782 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.378 -0.765 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.204 -1.354 5.133 1.00 0.00 H new ATOM 561 N HIS A 51 5.103 -6.010 5.846 1.00 0.00 N ATOM 562 CA HIS A 51 6.004 -6.924 6.528 1.00 0.00 C ATOM 563 C HIS A 51 7.376 -6.868 5.875 1.00 0.00 C ATOM 564 O HIS A 51 7.507 -6.438 4.727 1.00 0.00 O ATOM 565 CB HIS A 51 5.467 -8.355 6.467 1.00 0.00 C ATOM 566 CG HIS A 51 4.386 -8.658 7.458 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.619 -8.823 8.808 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.054 -8.843 7.285 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.480 -9.101 9.418 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.518 -9.116 8.517 1.00 0.00 N ATOM 0 H HIS A 51 4.582 -6.429 5.076 1.00 0.00 H new ATOM 0 HA HIS A 51 6.080 -6.624 7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.085 -8.543 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.294 -9.047 6.628 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.528 -8.743 9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.515 -8.786 6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.358 -9.285 10.475 1.00 0.00 H new ATOM 579 N SER A 52 8.392 -7.300 6.600 1.00 0.00 N ATOM 580 CA SER A 52 9.750 -7.276 6.085 1.00 0.00 C ATOM 581 C SER A 52 10.345 -8.680 6.068 1.00 0.00 C ATOM 582 O SER A 52 11.130 -9.046 6.943 1.00 0.00 O ATOM 583 CB SER A 52 10.601 -6.343 6.942 1.00 0.00 C ATOM 584 OG SER A 52 9.782 -5.633 7.855 1.00 0.00 O ATOM 0 H SER A 52 8.303 -7.671 7.546 1.00 0.00 H new ATOM 0 HA SER A 52 9.735 -6.907 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.350 -6.919 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.140 -5.642 6.304 1.00 0.00 H new ATOM 0 HG SER A 52 9.951 -5.955 8.765 1.00 0.00 H new ATOM 590 N THR A 53 9.972 -9.462 5.066 1.00 0.00 N ATOM 591 CA THR A 53 10.430 -10.837 4.965 1.00 0.00 C ATOM 592 C THR A 53 11.793 -10.913 4.275 1.00 0.00 C ATOM 593 O THR A 53 11.978 -11.660 3.314 1.00 0.00 O ATOM 594 CB THR A 53 9.408 -11.688 4.188 1.00 0.00 C ATOM 595 OG1 THR A 53 8.827 -10.906 3.134 1.00 0.00 O ATOM 596 CG2 THR A 53 8.305 -12.185 5.110 1.00 0.00 C ATOM 0 H THR A 53 9.353 -9.166 4.311 1.00 0.00 H new ATOM 0 HA THR A 53 10.530 -11.230 5.977 1.00 0.00 H new ATOM 0 HB THR A 53 9.929 -12.548 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.177 -11.209 2.270 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.595 -12.783 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.740 -12.795 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.788 -11.333 5.551 1.00 0.00 H new ATOM 604 N ASN A 54 12.747 -10.133 4.769 1.00 0.00 N ATOM 605 CA ASN A 54 14.076 -10.074 4.174 1.00 0.00 C ATOM 606 C ASN A 54 15.087 -9.543 5.190 1.00 0.00 C ATOM 607 O ASN A 54 14.709 -9.153 6.294 1.00 0.00 O ATOM 608 CB ASN A 54 14.053 -9.217 2.893 1.00 0.00 C ATOM 609 CG ASN A 54 14.578 -7.807 3.085 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.746 -7.531 2.825 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.711 -6.902 3.504 1.00 0.00 N ATOM 0 H ASN A 54 12.624 -9.531 5.583 1.00 0.00 H new ATOM 0 HA ASN A 54 14.386 -11.080 3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.647 -9.713 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.030 -9.165 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.003 -5.932 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.749 -7.173 3.709 1.00 0.00 H new ATOM 618 N VAL A 55 16.360 -9.534 4.812 1.00 0.00 N ATOM 619 CA VAL A 55 17.439 -9.164 5.724 1.00 0.00 C ATOM 620 C VAL A 55 17.357 -7.698 6.121 1.00 0.00 C ATOM 621 O VAL A 55 17.137 -7.370 7.290 1.00 0.00 O ATOM 622 CB VAL A 55 18.832 -9.428 5.113 1.00 0.00 C ATOM 623 CG1 VAL A 55 19.706 -10.188 6.093 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.721 -10.185 3.801 1.00 0.00 C ATOM 0 H VAL A 55 16.673 -9.781 3.873 1.00 0.00 H new ATOM 0 HA VAL A 55 17.312 -9.791 6.606 1.00 0.00 H new ATOM 0 HB VAL A 55 19.297 -8.464 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.684 -10.366 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.824 -9.602 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.238 -11.143 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.718 -10.356 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.230 -11.143 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.136 -9.600 3.092 1.00 0.00 H new ATOM 634 N ASN A 56 17.533 -6.816 5.150 1.00 0.00 N ATOM 635 CA ASN A 56 17.494 -5.389 5.419 1.00 0.00 C ATOM 636 C ASN A 56 16.074 -4.862 5.300 1.00 0.00 C ATOM 637 O ASN A 56 15.524 -4.727 4.205 1.00 0.00 O ATOM 638 CB ASN A 56 18.436 -4.603 4.491 1.00 0.00 C ATOM 639 CG ASN A 56 18.282 -4.956 3.021 1.00 0.00 C ATOM 640 OD1 ASN A 56 17.630 -4.083 2.267 1.00 0.00 O flip ATOM 641 ND2 ASN A 56 18.766 -5.993 2.568 1.00 0.00 N flip ATOM 0 H ASN A 56 17.703 -7.062 4.175 1.00 0.00 H new ATOM 0 HA ASN A 56 17.842 -5.242 6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 56 18.252 -3.536 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.467 -4.788 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.260 -6.637 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.673 -6.208 1.575 1.00 0.00 H new ATOM 648 N ALA A 57 15.479 -4.581 6.440 1.00 0.00 N ATOM 649 CA ALA A 57 14.162 -3.979 6.488 1.00 0.00 C ATOM 650 C ALA A 57 14.277 -2.479 6.252 1.00 0.00 C ATOM 651 O ALA A 57 13.891 -1.663 7.087 1.00 0.00 O ATOM 652 CB ALA A 57 13.501 -4.271 7.822 1.00 0.00 C ATOM 0 H ALA A 57 15.891 -4.762 7.355 1.00 0.00 H new ATOM 0 HA ALA A 57 13.539 -4.407 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.512 -3.813 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.405 -5.349 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.110 -3.861 8.627 1.00 0.00 H new ATOM 658 N ASP A 58 14.820 -2.134 5.098 1.00 0.00 N ATOM 659 CA ASP A 58 15.074 -0.745 4.741 1.00 0.00 C ATOM 660 C ASP A 58 13.888 -0.166 3.994 1.00 0.00 C ATOM 661 O ASP A 58 14.030 0.759 3.198 1.00 0.00 O ATOM 662 CB ASP A 58 16.326 -0.653 3.869 1.00 0.00 C ATOM 663 CG ASP A 58 17.480 0.035 4.570 1.00 0.00 C ATOM 664 OD1 ASP A 58 17.235 0.952 5.383 1.00 0.00 O ATOM 665 OD2 ASP A 58 18.642 -0.336 4.304 1.00 0.00 O ATOM 0 H ASP A 58 15.098 -2.805 4.382 1.00 0.00 H new ATOM 0 HA ASP A 58 15.228 -0.173 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.632 -1.657 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.087 -0.111 2.954 1.00 0.00 H new ATOM 670 N MET A 59 12.715 -0.713 4.262 1.00 0.00 N ATOM 671 CA MET A 59 11.517 -0.319 3.550 1.00 0.00 C ATOM 672 C MET A 59 10.519 0.311 4.506 1.00 0.00 C ATOM 673 O MET A 59 10.158 -0.274 5.522 1.00 0.00 O ATOM 674 CB MET A 59 10.889 -1.524 2.842 1.00 0.00 C ATOM 675 CG MET A 59 10.443 -2.639 3.777 1.00 0.00 C ATOM 676 SD MET A 59 11.620 -4.003 3.844 1.00 0.00 S ATOM 677 CE MET A 59 11.262 -4.811 2.291 1.00 0.00 C ATOM 0 H MET A 59 12.569 -1.433 4.970 1.00 0.00 H new ATOM 0 HA MET A 59 11.792 0.418 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.029 -1.184 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.609 -1.929 2.131 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.305 -2.234 4.779 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.474 -3.016 3.450 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.075 -5.493 2.040 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.332 -5.372 2.379 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.161 -4.062 1.506 1.00 0.00 H new ATOM 687 N THR A 60 10.078 1.507 4.185 1.00 0.00 N ATOM 688 CA THR A 60 9.115 2.189 5.023 1.00 0.00 C ATOM 689 C THR A 60 7.776 2.288 4.313 1.00 0.00 C ATOM 690 O THR A 60 7.713 2.676 3.143 1.00 0.00 O ATOM 691 CB THR A 60 9.606 3.595 5.420 1.00 0.00 C ATOM 692 OG1 THR A 60 10.598 4.053 4.490 1.00 0.00 O ATOM 693 CG2 THR A 60 10.193 3.582 6.823 1.00 0.00 C ATOM 0 H THR A 60 10.368 2.025 3.356 1.00 0.00 H new ATOM 0 HA THR A 60 8.997 1.604 5.935 1.00 0.00 H new ATOM 0 HB THR A 60 8.752 4.272 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.474 4.073 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.534 4.584 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.431 3.261 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.036 2.891 6.858 1.00 0.00 H new ATOM 701 N LEU A 61 6.713 1.907 5.010 1.00 0.00 N ATOM 702 CA LEU A 61 5.377 2.003 4.452 1.00 0.00 C ATOM 703 C LEU A 61 4.869 3.416 4.642 1.00 0.00 C ATOM 704 O LEU A 61 4.548 3.831 5.756 1.00 0.00 O ATOM 705 CB LEU A 61 4.424 1.006 5.112 1.00 0.00 C ATOM 706 CG LEU A 61 2.955 1.159 4.706 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.621 0.238 3.542 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.039 0.888 5.890 1.00 0.00 C ATOM 0 H LEU A 61 6.753 1.531 5.957 1.00 0.00 H new ATOM 0 HA LEU A 61 5.420 1.760 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.751 -0.005 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.501 1.113 6.194 1.00 0.00 H new ATOM 0 HG LEU A 61 2.795 2.187 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.573 0.362 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.250 0.488 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.800 -0.797 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.000 1.002 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.201 -0.128 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.259 1.596 6.689 1.00 0.00 H new ATOM 720 N ILE A 62 4.825 4.163 3.563 1.00 0.00 N ATOM 721 CA ILE A 62 4.467 5.555 3.646 1.00 0.00 C ATOM 722 C ILE A 62 3.216 5.852 2.823 1.00 0.00 C ATOM 723 O ILE A 62 3.080 5.411 1.679 1.00 0.00 O ATOM 724 CB ILE A 62 5.654 6.456 3.221 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.254 7.933 3.228 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.200 6.048 1.859 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.152 8.791 4.092 1.00 0.00 C ATOM 0 H ILE A 62 5.032 3.829 2.622 1.00 0.00 H new ATOM 0 HA ILE A 62 4.234 5.783 4.686 1.00 0.00 H new ATOM 0 HB ILE A 62 6.450 6.318 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.273 8.313 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.227 8.023 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.031 6.700 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.547 5.015 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.413 6.137 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.814 9.826 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.114 8.436 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.176 8.730 3.725 1.00 0.00 H new ATOM 739 N LEU A 63 2.299 6.585 3.437 1.00 0.00 N ATOM 740 CA LEU A 63 1.064 6.990 2.797 1.00 0.00 C ATOM 741 C LEU A 63 1.357 8.156 1.869 1.00 0.00 C ATOM 742 O LEU A 63 1.872 9.198 2.298 1.00 0.00 O ATOM 743 CB LEU A 63 0.038 7.379 3.862 1.00 0.00 C ATOM 744 CG LEU A 63 -1.404 6.939 3.597 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.310 7.399 4.728 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.901 7.478 2.266 1.00 0.00 C ATOM 0 H LEU A 63 2.395 6.915 4.397 1.00 0.00 H new ATOM 0 HA LEU A 63 0.650 6.168 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.356 6.958 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.052 8.463 3.972 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.426 5.850 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.333 7.080 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.971 6.961 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.277 8.486 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.928 7.151 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.865 8.567 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.268 7.103 1.462 1.00 0.00 H new ATOM 758 N LEU A 64 1.041 7.959 0.600 1.00 0.00 N ATOM 759 CA LEU A 64 1.502 8.835 -0.458 1.00 0.00 C ATOM 760 C LEU A 64 0.398 9.681 -1.062 1.00 0.00 C ATOM 761 O LEU A 64 -0.782 9.481 -0.820 1.00 0.00 O ATOM 762 CB LEU A 64 2.200 8.047 -1.556 1.00 0.00 C ATOM 763 CG LEU A 64 3.730 8.084 -1.516 1.00 0.00 C ATOM 764 CD1 LEU A 64 4.276 9.272 -2.279 1.00 0.00 C ATOM 765 CD2 LEU A 64 4.241 8.112 -0.090 1.00 0.00 C ATOM 0 H LEU A 64 0.458 7.187 0.277 1.00 0.00 H new ATOM 0 HA LEU A 64 2.211 9.516 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.876 7.008 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.869 8.429 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 64 4.083 7.172 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.365 9.267 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.960 9.212 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.897 10.194 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.331 8.138 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.859 8.999 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.901 7.220 0.436 1.00 0.00 H new ATOM 777 N ARG A 65 0.860 10.630 -1.837 1.00 0.00 N ATOM 778 CA ARG A 65 0.083 11.706 -2.428 1.00 0.00 C ATOM 779 C ARG A 65 -0.542 11.337 -3.775 1.00 0.00 C ATOM 780 O ARG A 65 -0.796 10.176 -4.051 1.00 0.00 O ATOM 781 CB ARG A 65 0.948 12.946 -2.560 1.00 0.00 C ATOM 782 CG ARG A 65 0.433 14.139 -1.772 1.00 0.00 C ATOM 783 CD ARG A 65 1.540 15.133 -1.467 1.00 0.00 C ATOM 784 NE ARG A 65 1.299 16.430 -2.102 1.00 0.00 N ATOM 785 CZ ARG A 65 2.157 17.033 -2.922 1.00 0.00 C ATOM 786 NH1 ARG A 65 3.351 16.492 -3.148 1.00 0.00 N ATOM 787 NH2 ARG A 65 1.832 18.183 -3.499 1.00 0.00 N ATOM 0 H ARG A 65 1.847 10.681 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.752 11.904 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.958 12.710 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.016 13.220 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.356 14.635 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.013 13.794 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.621 15.266 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.493 14.732 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 65 0.417 16.902 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.608 15.616 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.009 16.953 -3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.923 18.607 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.491 18.643 -4.127 1.00 0.00 H new ATOM 801 N ASN A 66 -0.902 12.379 -4.536 1.00 0.00 N ATOM 802 CA ASN A 66 -1.627 12.264 -5.811 1.00 0.00 C ATOM 803 C ASN A 66 -1.052 11.206 -6.754 1.00 0.00 C ATOM 804 O ASN A 66 0.111 10.830 -6.659 1.00 0.00 O ATOM 805 CB ASN A 66 -1.509 13.610 -6.551 1.00 0.00 C ATOM 806 CG ASN A 66 -0.374 13.611 -7.595 1.00 0.00 C ATOM 807 OD1 ASN A 66 -0.607 13.876 -8.776 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.860 13.311 -7.161 1.00 0.00 N ATOM 0 H ASN A 66 -0.694 13.344 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.650 11.982 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.454 13.833 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.333 14.405 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.642 13.297 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.016 13.097 -6.176 1.00 0.00 H new ATOM 815 N VAL A 67 -1.877 10.770 -7.691 1.00 0.00 N ATOM 816 CA VAL A 67 -1.440 9.858 -8.733 1.00 0.00 C ATOM 817 C VAL A 67 -1.798 10.436 -10.099 1.00 0.00 C ATOM 818 O VAL A 67 -2.961 10.733 -10.375 1.00 0.00 O ATOM 819 CB VAL A 67 -2.052 8.449 -8.557 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.545 8.527 -8.269 1.00 0.00 C ATOM 821 CG2 VAL A 67 -1.769 7.574 -9.773 1.00 0.00 C ATOM 0 H VAL A 67 -2.860 11.036 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.358 9.747 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.575 7.985 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.946 7.520 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.710 9.093 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.050 9.023 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.210 6.589 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.202 8.034 -10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.692 7.473 -9.906 1.00 0.00 H new ATOM 831 N GLY A 68 -0.789 10.632 -10.931 1.00 0.00 N ATOM 832 CA GLY A 68 -1.002 11.238 -12.230 1.00 0.00 C ATOM 833 C GLY A 68 0.039 12.296 -12.515 1.00 0.00 C ATOM 834 O GLY A 68 0.516 12.431 -13.643 1.00 0.00 O ATOM 0 H GLY A 68 0.179 10.381 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.966 10.470 -13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.997 11.682 -12.269 1.00 0.00 H new ATOM 838 N GLY A 69 0.388 13.050 -11.483 1.00 0.00 N ATOM 839 CA GLY A 69 1.466 14.005 -11.597 1.00 0.00 C ATOM 840 C GLY A 69 2.812 13.319 -11.553 1.00 0.00 C ATOM 841 O GLY A 69 2.949 12.253 -10.953 1.00 0.00 O ATOM 0 H GLY A 69 -0.059 13.016 -10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.368 14.558 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.399 14.732 -10.787 1.00 0.00 H new ATOM 845 N ASN A 70 3.813 13.933 -12.163 1.00 0.00 N ATOM 846 CA ASN A 70 5.137 13.326 -12.269 1.00 0.00 C ATOM 847 C ASN A 70 5.950 13.580 -11.005 1.00 0.00 C ATOM 848 O ASN A 70 7.120 13.966 -11.063 1.00 0.00 O ATOM 849 CB ASN A 70 5.877 13.866 -13.496 1.00 0.00 C ATOM 850 CG ASN A 70 5.650 13.011 -14.728 1.00 0.00 C ATOM 851 OD1 ASN A 70 4.519 12.639 -15.038 1.00 0.00 O ATOM 852 ND2 ASN A 70 6.719 12.706 -15.445 1.00 0.00 N ATOM 0 H ASN A 70 3.737 14.854 -12.595 1.00 0.00 H new ATOM 0 HA ASN A 70 5.010 12.250 -12.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.546 14.885 -13.698 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.945 13.914 -13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.623 12.142 -16.290 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.640 13.034 -15.153 1.00 0.00 H new ATOM 859 N GLY A 71 5.324 13.350 -9.866 1.00 0.00 N ATOM 860 CA GLY A 71 5.968 13.581 -8.595 1.00 0.00 C ATOM 861 C GLY A 71 5.212 12.930 -7.463 1.00 0.00 C ATOM 862 O GLY A 71 4.051 13.257 -7.215 1.00 0.00 O ATOM 0 H GLY A 71 4.367 13.002 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.985 13.191 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.043 14.653 -8.414 1.00 0.00 H new ATOM 866 N TRP A 72 5.863 12.006 -6.781 1.00 0.00 N ATOM 867 CA TRP A 72 5.224 11.263 -5.711 1.00 0.00 C ATOM 868 C TRP A 72 5.725 11.750 -4.353 1.00 0.00 C ATOM 869 O TRP A 72 6.703 11.229 -3.817 1.00 0.00 O ATOM 870 CB TRP A 72 5.486 9.763 -5.882 1.00 0.00 C ATOM 871 CG TRP A 72 4.455 9.085 -6.730 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.606 8.619 -7.994 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.116 8.792 -6.361 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.427 8.084 -8.450 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.494 8.174 -7.458 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.385 9.002 -5.213 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.168 7.763 -7.424 1.00 0.00 C ATOM 878 CZ3 TRP A 72 1.079 8.593 -5.172 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.476 7.979 -6.268 1.00 0.00 C ATOM 0 H TRP A 72 6.836 11.752 -6.950 1.00 0.00 H new ATOM 0 HA TRP A 72 4.148 11.432 -5.757 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.469 9.620 -6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.511 9.289 -4.901 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.524 8.663 -8.562 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.274 7.685 -9.376 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.836 9.483 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.703 7.292 -8.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.504 8.750 -4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.556 7.669 -6.201 1.00 0.00 H new ATOM 890 N GLY A 73 5.055 12.760 -3.815 1.00 0.00 N ATOM 891 CA GLY A 73 5.453 13.323 -2.537 1.00 0.00 C ATOM 892 C GLY A 73 4.923 12.523 -1.362 1.00 0.00 C ATOM 893 O GLY A 73 3.740 12.182 -1.319 1.00 0.00 O ATOM 0 H GLY A 73 4.240 13.202 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.541 13.364 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.092 14.349 -2.467 1.00 0.00 H new ATOM 897 N GLU A 74 5.793 12.237 -0.403 1.00 0.00 N ATOM 898 CA GLU A 74 5.440 11.398 0.738 1.00 0.00 C ATOM 899 C GLU A 74 4.761 12.209 1.837 1.00 0.00 C ATOM 900 O GLU A 74 4.946 13.428 1.927 1.00 0.00 O ATOM 901 CB GLU A 74 6.687 10.700 1.286 1.00 0.00 C ATOM 902 CG GLU A 74 7.821 11.647 1.646 1.00 0.00 C ATOM 903 CD GLU A 74 9.121 11.281 0.961 1.00 0.00 C ATOM 904 OE1 GLU A 74 9.257 11.543 -0.254 1.00 0.00 O ATOM 905 OE2 GLU A 74 10.016 10.723 1.627 1.00 0.00 O ATOM 0 H GLU A 74 6.755 12.576 -0.392 1.00 0.00 H new ATOM 0 HA GLU A 74 4.732 10.644 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.410 10.128 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.046 9.986 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.542 12.664 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.968 11.639 2.726 1.00 0.00 H new ATOM 912 N ILE A 75 3.960 11.531 2.658 1.00 0.00 N ATOM 913 CA ILE A 75 3.256 12.185 3.754 1.00 0.00 C ATOM 914 C ILE A 75 3.443 11.428 5.070 1.00 0.00 C ATOM 915 O ILE A 75 4.267 11.810 5.899 1.00 0.00 O ATOM 916 CB ILE A 75 1.743 12.325 3.470 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.494 12.745 2.020 1.00 0.00 C ATOM 918 CG2 ILE A 75 1.122 13.337 4.422 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.146 12.306 1.487 1.00 0.00 C ATOM 0 H ILE A 75 3.784 10.529 2.583 1.00 0.00 H new ATOM 0 HA ILE A 75 3.692 13.180 3.842 1.00 0.00 H new ATOM 0 HB ILE A 75 1.276 11.353 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.569 13.830 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.279 12.327 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.056 13.427 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.263 13.003 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.602 14.306 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.037 12.638 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.075 11.219 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.646 12.745 2.094 1.00 0.00 H new ATOM 931 N LYS A 76 2.681 10.352 5.258 1.00 0.00 N ATOM 932 CA LYS A 76 2.662 9.645 6.542 1.00 0.00 C ATOM 933 C LYS A 76 3.507 8.377 6.499 1.00 0.00 C ATOM 934 O LYS A 76 3.196 7.448 5.764 1.00 0.00 O ATOM 935 CB LYS A 76 1.226 9.289 6.938 1.00 0.00 C ATOM 936 CG LYS A 76 1.047 9.071 8.432 1.00 0.00 C ATOM 937 CD LYS A 76 1.088 7.595 8.790 1.00 0.00 C ATOM 938 CE LYS A 76 1.031 7.389 10.293 1.00 0.00 C ATOM 939 NZ LYS A 76 2.375 7.482 10.925 1.00 0.00 N ATOM 0 H LYS A 76 2.072 9.951 4.545 1.00 0.00 H new ATOM 0 HA LYS A 76 3.089 10.316 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.559 10.087 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.924 8.386 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.831 9.599 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.096 9.497 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.250 7.081 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.000 7.148 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.371 8.135 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.597 6.412 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.383 6.929 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.092 7.105 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.590 8.477 11.138 1.00 0.00 H new ATOM 953 N ARG A 77 4.555 8.328 7.304 1.00 0.00 N ATOM 954 CA ARG A 77 5.449 7.175 7.313 1.00 0.00 C ATOM 955 C ARG A 77 5.110 6.203 8.443 1.00 0.00 C ATOM 956 O ARG A 77 4.627 6.602 9.502 1.00 0.00 O ATOM 957 CB ARG A 77 6.905 7.632 7.443 1.00 0.00 C ATOM 958 CG ARG A 77 7.922 6.575 7.036 1.00 0.00 C ATOM 959 CD ARG A 77 9.024 7.163 6.170 1.00 0.00 C ATOM 960 NE ARG A 77 10.195 7.553 6.957 1.00 0.00 N ATOM 961 CZ ARG A 77 11.454 7.285 6.608 1.00 0.00 C ATOM 962 NH1 ARG A 77 11.714 6.590 5.510 1.00 0.00 N ATOM 963 NH2 ARG A 77 12.460 7.702 7.367 1.00 0.00 N ATOM 0 H ARG A 77 4.810 9.068 7.958 1.00 0.00 H new ATOM 0 HA ARG A 77 5.315 6.651 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.053 8.520 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.093 7.924 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.359 6.128 7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.419 5.775 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.321 6.433 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.640 8.033 5.637 1.00 0.00 H new ATOM 0 HE ARG A 77 10.038 8.062 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.948 6.256 4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.680 6.389 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.271 8.229 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.422 7.495 7.098 1.00 0.00 H new ATOM 977 N ASN A 78 5.333 4.922 8.181 1.00 0.00 N ATOM 978 CA ASN A 78 5.267 3.880 9.204 1.00 0.00 C ATOM 979 C ASN A 78 6.446 2.929 9.022 1.00 0.00 C ATOM 980 O ASN A 78 6.945 2.766 7.905 1.00 0.00 O ATOM 981 CB ASN A 78 3.950 3.100 9.124 1.00 0.00 C ATOM 982 CG ASN A 78 3.468 2.634 10.487 1.00 0.00 C ATOM 983 OD1 ASN A 78 3.814 3.216 11.514 1.00 0.00 O ATOM 984 ND2 ASN A 78 2.665 1.581 10.504 1.00 0.00 N ATOM 0 H ASN A 78 5.566 4.573 7.251 1.00 0.00 H new ATOM 0 HA ASN A 78 5.314 4.352 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.186 3.729 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.082 2.235 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.310 1.225 11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.402 1.126 9.630 1.00 0.00 H new ATOM 991 N ASP A 79 6.894 2.305 10.105 1.00 0.00 N ATOM 992 CA ASP A 79 8.083 1.459 10.055 1.00 0.00 C ATOM 993 C ASP A 79 7.770 0.057 9.539 1.00 0.00 C ATOM 994 O ASP A 79 6.673 -0.214 9.048 1.00 0.00 O ATOM 995 CB ASP A 79 8.771 1.364 11.424 1.00 0.00 C ATOM 996 CG ASP A 79 7.814 1.208 12.593 1.00 0.00 C ATOM 997 OD1 ASP A 79 6.918 2.061 12.766 1.00 0.00 O ATOM 998 OD2 ASP A 79 7.973 0.240 13.370 1.00 0.00 O ATOM 0 H ASP A 79 6.456 2.367 11.024 1.00 0.00 H new ATOM 0 HA ASP A 79 8.765 1.938 9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.457 0.517 11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.373 2.260 11.579 1.00 0.00 H new ATOM 1003 N ILE A 80 8.752 -0.830 9.662 1.00 0.00 N ATOM 1004 CA ILE A 80 8.665 -2.177 9.109 1.00 0.00 C ATOM 1005 C ILE A 80 7.841 -3.112 9.979 1.00 0.00 C ATOM 1006 O ILE A 80 7.790 -2.964 11.204 1.00 0.00 O ATOM 1007 CB ILE A 80 10.065 -2.789 8.926 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.867 -2.700 10.226 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.796 -2.091 7.797 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.190 -4.049 10.831 1.00 0.00 C ATOM 0 H ILE A 80 9.628 -0.636 10.147 1.00 0.00 H new ATOM 0 HA ILE A 80 8.170 -2.073 8.144 1.00 0.00 H new ATOM 0 HB ILE A 80 9.954 -3.842 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.797 -2.165 10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.305 -2.111 10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.785 -2.532 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.232 -2.207 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.897 -1.031 8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.760 -3.909 11.750 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.264 -4.578 11.055 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.779 -4.633 10.124 1.00 0.00 H new ATOM 1022 N ASP A 81 7.213 -4.082 9.319 1.00 0.00 N ATOM 1023 CA ASP A 81 6.371 -5.080 9.971 1.00 0.00 C ATOM 1024 C ASP A 81 5.273 -4.395 10.763 1.00 0.00 C ATOM 1025 O ASP A 81 4.922 -4.808 11.869 1.00 0.00 O ATOM 1026 CB ASP A 81 7.200 -6.002 10.871 1.00 0.00 C ATOM 1027 CG ASP A 81 6.832 -7.459 10.685 1.00 0.00 C ATOM 1028 OD1 ASP A 81 7.056 -8.003 9.580 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.297 -8.066 11.635 1.00 0.00 O ATOM 0 H ASP A 81 7.275 -4.198 8.308 1.00 0.00 H new ATOM 0 HA ASP A 81 5.913 -5.700 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.259 -5.865 10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.051 -5.721 11.913 1.00 0.00 H new ATOM 1034 N LYS A 82 4.735 -3.334 10.178 1.00 0.00 N ATOM 1035 CA LYS A 82 3.755 -2.506 10.859 1.00 0.00 C ATOM 1036 C LYS A 82 2.434 -2.453 10.105 1.00 0.00 C ATOM 1037 O LYS A 82 2.393 -2.110 8.922 1.00 0.00 O ATOM 1038 CB LYS A 82 4.298 -1.090 11.030 1.00 0.00 C ATOM 1039 CG LYS A 82 5.239 -0.940 12.207 1.00 0.00 C ATOM 1040 CD LYS A 82 4.494 -1.019 13.524 1.00 0.00 C ATOM 1041 CE LYS A 82 5.155 -2.002 14.474 1.00 0.00 C ATOM 1042 NZ LYS A 82 6.562 -1.626 14.773 1.00 0.00 N ATOM 0 H LYS A 82 4.962 -3.028 9.232 1.00 0.00 H new ATOM 0 HA LYS A 82 3.569 -2.955 11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.820 -0.797 10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.462 -0.402 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.998 -1.721 12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.760 0.015 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.460 -0.032 13.985 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.463 -1.322 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.586 -2.047 15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.131 -3.000 14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.202 -2.361 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.783 -0.719 14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.686 -1.535 15.802 1.00 0.00 H new ATOM 1056 N PRO A 83 1.339 -2.822 10.786 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.013 -2.645 10.281 1.00 0.00 C ATOM 1058 C PRO A 83 -0.524 -1.248 10.599 1.00 0.00 C ATOM 1059 O PRO A 83 -0.873 -0.949 11.744 1.00 0.00 O ATOM 1060 CB PRO A 83 -0.829 -3.705 11.038 1.00 0.00 C ATOM 1061 CG PRO A 83 0.111 -4.341 12.020 1.00 0.00 C ATOM 1062 CD PRO A 83 1.328 -3.462 12.098 1.00 0.00 C ATOM 0 HA PRO A 83 -0.078 -2.755 9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.677 -3.250 11.550 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.234 -4.448 10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.360 -4.435 12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.382 -5.347 11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.251 -2.733 12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.235 -4.040 12.276 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.552 -0.396 9.592 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.908 0.998 9.782 1.00 0.00 C ATOM 1072 C LEU A 84 -2.418 1.183 9.792 1.00 0.00 C ATOM 1073 O LEU A 84 -3.108 0.810 8.843 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.280 1.860 8.684 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.580 3.359 8.775 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -0.061 3.930 10.087 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.036 4.095 7.594 1.00 0.00 C ATOM 0 H LEU A 84 -0.331 -0.647 8.628 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.520 1.315 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.801 1.721 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.626 1.495 7.717 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.661 3.497 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.284 4.996 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.544 3.422 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.017 3.781 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.186 5.159 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.116 3.948 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.380 3.705 6.665 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.919 1.749 10.879 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.321 2.099 10.987 1.00 0.00 C ATOM 1091 C LYS A 85 -4.454 3.609 11.149 1.00 0.00 C ATOM 1092 O LYS A 85 -4.131 4.160 12.202 1.00 0.00 O ATOM 1093 CB LYS A 85 -4.960 1.383 12.180 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.478 1.344 12.123 1.00 0.00 C ATOM 1095 CD LYS A 85 -6.972 0.361 11.074 1.00 0.00 C ATOM 1096 CE LYS A 85 -8.446 0.042 11.263 1.00 0.00 C ATOM 1097 NZ LYS A 85 -9.238 0.324 10.038 1.00 0.00 N ATOM 0 H LYS A 85 -2.366 1.976 11.705 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.838 1.785 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.580 0.362 12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.652 1.880 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.873 1.064 13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.860 2.340 11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.813 0.778 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.389 -0.558 11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.558 -1.008 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.840 0.629 12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.010 -0.368 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.637 1.282 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.622 0.256 9.203 1.00 0.00 H new ATOM 1111 N TYR A 86 -4.911 4.276 10.102 1.00 0.00 N ATOM 1112 CA TYR A 86 -5.039 5.726 10.126 1.00 0.00 C ATOM 1113 C TYR A 86 -6.367 6.137 10.749 1.00 0.00 C ATOM 1114 O TYR A 86 -7.392 5.496 10.524 1.00 0.00 O ATOM 1115 CB TYR A 86 -4.919 6.292 8.711 1.00 0.00 C ATOM 1116 CG TYR A 86 -4.562 7.760 8.670 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -3.309 8.203 9.073 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -5.479 8.702 8.223 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -2.981 9.546 9.032 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -5.159 10.045 8.177 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.909 10.464 8.582 1.00 0.00 C ATOM 1122 OH TYR A 86 -3.586 11.804 8.538 1.00 0.00 O ATOM 0 H TYR A 86 -5.199 3.839 9.226 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.232 6.133 10.736 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.161 5.728 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.864 6.143 8.189 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.580 7.488 9.424 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.460 8.379 7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.003 9.875 9.351 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.884 10.764 7.825 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.350 12.314 8.196 1.00 0.00 H new ATOM 1132 N GLU A 87 -6.341 7.202 11.536 1.00 0.00 N ATOM 1133 CA GLU A 87 -7.544 7.704 12.178 1.00 0.00 C ATOM 1134 C GLU A 87 -8.204 8.760 11.300 1.00 0.00 C ATOM 1135 O GLU A 87 -7.550 9.712 10.872 1.00 0.00 O ATOM 1136 CB GLU A 87 -7.202 8.294 13.547 1.00 0.00 C ATOM 1137 CG GLU A 87 -7.994 7.685 14.695 1.00 0.00 C ATOM 1138 CD GLU A 87 -9.022 8.646 15.255 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -10.116 8.757 14.667 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -8.735 9.302 16.278 1.00 0.00 O ATOM 0 H GLU A 87 -5.497 7.736 11.745 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.241 6.877 12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.138 8.153 13.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.382 9.369 13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.495 6.781 14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.309 7.386 15.488 1.00 0.00 H new ATOM 1147 N ASP A 88 -9.496 8.566 11.034 1.00 0.00 N ATOM 1148 CA ASP A 88 -10.285 9.491 10.210 1.00 0.00 C ATOM 1149 C ASP A 88 -9.829 9.465 8.752 1.00 0.00 C ATOM 1150 O ASP A 88 -9.233 10.423 8.255 1.00 0.00 O ATOM 1151 CB ASP A 88 -10.210 10.923 10.753 1.00 0.00 C ATOM 1152 CG ASP A 88 -11.570 11.486 11.101 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -12.191 10.993 12.066 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -12.027 12.426 10.418 1.00 0.00 O ATOM 0 H ASP A 88 -10.026 7.767 11.381 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.321 9.155 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.577 10.938 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.735 11.564 10.011 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.113 8.367 8.061 1.00 0.00 N ATOM 1160 CA TYR A 89 -9.741 8.245 6.654 1.00 0.00 C ATOM 1161 C TYR A 89 -10.795 8.874 5.746 1.00 0.00 C ATOM 1162 O TYR A 89 -10.541 9.117 4.565 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.514 6.784 6.243 1.00 0.00 C ATOM 1164 CG TYR A 89 -10.018 5.744 7.221 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.377 5.509 7.396 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -9.124 4.976 7.951 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -11.824 4.537 8.273 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -9.563 4.009 8.830 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.913 3.792 8.987 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.350 2.817 9.849 1.00 0.00 O ATOM 0 H TYR A 89 -10.595 7.555 8.446 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.801 8.783 6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.998 6.617 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.445 6.629 6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.094 6.094 6.839 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.063 5.138 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.883 4.364 8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.851 3.424 9.393 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.197 2.448 9.523 1.00 0.00 H new ATOM 1180 N TYR A 90 -11.976 9.133 6.296 1.00 0.00 N ATOM 1181 CA TYR A 90 -13.054 9.739 5.522 1.00 0.00 C ATOM 1182 C TYR A 90 -12.766 11.217 5.302 1.00 0.00 C ATOM 1183 O TYR A 90 -12.220 11.884 6.183 1.00 0.00 O ATOM 1184 CB TYR A 90 -14.418 9.568 6.214 1.00 0.00 C ATOM 1185 CG TYR A 90 -14.353 9.020 7.623 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -14.303 7.651 7.856 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -14.353 9.870 8.720 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -14.255 7.147 9.140 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -14.306 9.374 10.008 1.00 0.00 C ATOM 1190 CZ TYR A 90 -14.256 8.010 10.213 1.00 0.00 C ATOM 1191 OH TYR A 90 -14.208 7.508 11.494 1.00 0.00 O ATOM 0 H TYR A 90 -12.211 8.935 7.269 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.102 9.227 4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.920 10.535 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -15.035 8.903 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -14.302 6.970 7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.390 10.938 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.217 6.080 9.302 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -14.308 10.050 10.850 1.00 0.00 H new ATOM 0 HH TYR A 90 -14.215 8.248 12.136 1.00 0.00 H new ATOM 1201 N THR A 91 -13.112 11.710 4.113 1.00 0.00 N ATOM 1202 CA THR A 91 -12.893 13.106 3.727 1.00 0.00 C ATOM 1203 C THR A 91 -11.417 13.376 3.397 1.00 0.00 C ATOM 1204 O THR A 91 -11.103 14.102 2.450 1.00 0.00 O ATOM 1205 CB THR A 91 -13.385 14.086 4.816 1.00 0.00 C ATOM 1206 OG1 THR A 91 -14.663 13.656 5.313 1.00 0.00 O ATOM 1207 CG2 THR A 91 -13.504 15.499 4.267 1.00 0.00 C ATOM 0 H THR A 91 -13.555 11.149 3.385 1.00 0.00 H new ATOM 0 HA THR A 91 -13.482 13.277 2.826 1.00 0.00 H new ATOM 0 HB THR A 91 -12.655 14.091 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.971 14.278 6.004 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.852 16.167 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 91 -12.530 15.834 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.216 15.510 3.441 1.00 0.00 H new ATOM 1215 N SER A 92 -10.519 12.773 4.167 1.00 0.00 N ATOM 1216 CA SER A 92 -9.085 12.893 3.930 1.00 0.00 C ATOM 1217 C SER A 92 -8.647 12.015 2.755 1.00 0.00 C ATOM 1218 O SER A 92 -7.514 12.109 2.282 1.00 0.00 O ATOM 1219 CB SER A 92 -8.334 12.495 5.204 1.00 0.00 C ATOM 1220 OG SER A 92 -9.210 12.510 6.324 1.00 0.00 O ATOM 0 H SER A 92 -10.762 12.191 4.968 1.00 0.00 H new ATOM 0 HA SER A 92 -8.852 13.926 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.904 11.500 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.505 13.182 5.374 1.00 0.00 H new ATOM 0 HG SER A 92 -9.075 11.698 6.856 1.00 0.00 H new ATOM 1226 N GLY A 93 -9.558 11.171 2.284 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.250 10.271 1.194 1.00 0.00 C ATOM 1228 C GLY A 93 -9.308 10.953 -0.157 1.00 0.00 C ATOM 1229 O GLY A 93 -10.317 10.877 -0.860 1.00 0.00 O ATOM 0 H GLY A 93 -10.510 11.096 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.255 9.852 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.952 9.437 1.207 1.00 0.00 H new ATOM 1233 N LEU A 94 -8.232 11.639 -0.506 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.110 12.276 -1.808 1.00 0.00 C ATOM 1235 C LEU A 94 -7.416 11.321 -2.776 1.00 0.00 C ATOM 1236 O LEU A 94 -7.731 10.131 -2.817 1.00 0.00 O ATOM 1237 CB LEU A 94 -7.302 13.573 -1.682 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.019 14.845 -2.140 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -7.874 15.941 -1.095 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.472 15.308 -3.482 1.00 0.00 C ATOM 0 H LEU A 94 -7.423 11.770 0.101 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.103 12.517 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.009 13.698 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.384 13.466 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.079 14.623 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.389 16.839 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.311 15.607 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.818 16.164 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.992 16.214 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.406 15.516 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.625 14.527 -4.226 1.00 0.00 H new ATOM 1252 N SER A 95 -6.486 11.843 -3.558 1.00 0.00 N ATOM 1253 CA SER A 95 -5.624 11.007 -4.369 1.00 0.00 C ATOM 1254 C SER A 95 -4.409 10.600 -3.546 1.00 0.00 C ATOM 1255 O SER A 95 -3.654 11.456 -3.086 1.00 0.00 O ATOM 1256 CB SER A 95 -5.198 11.767 -5.623 1.00 0.00 C ATOM 1257 OG SER A 95 -6.109 12.817 -5.905 1.00 0.00 O ATOM 0 H SER A 95 -6.310 12.844 -3.647 1.00 0.00 H new ATOM 0 HA SER A 95 -6.160 10.110 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.197 12.175 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.150 11.083 -6.470 1.00 0.00 H new ATOM 0 HG SER A 95 -5.819 13.294 -6.711 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.235 9.304 -3.350 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.184 8.810 -2.480 1.00 0.00 C ATOM 1265 C TRP A 96 -2.773 7.393 -2.884 1.00 0.00 C ATOM 1266 O TRP A 96 -3.480 6.734 -3.651 1.00 0.00 O ATOM 1267 CB TRP A 96 -3.664 8.860 -1.020 1.00 0.00 C ATOM 1268 CG TRP A 96 -4.782 7.912 -0.717 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.121 8.176 -0.725 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -4.645 6.542 -0.359 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -6.825 7.041 -0.396 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -5.935 6.021 -0.168 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.544 5.710 -0.188 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.152 4.691 0.189 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -3.754 4.393 0.164 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.050 3.893 0.349 1.00 0.00 C ATOM 0 H TRP A 96 -4.807 8.577 -3.781 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.303 9.445 -2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.823 8.637 -0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.988 9.875 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.563 9.134 -0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.840 6.969 -0.332 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -2.542 6.088 -0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.150 4.305 0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.907 3.737 0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.183 2.857 0.623 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.631 6.932 -2.380 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.141 5.588 -2.692 1.00 0.00 C ATOM 1289 C ILE A 97 -0.371 4.983 -1.508 1.00 0.00 C ATOM 1290 O ILE A 97 0.106 5.711 -0.635 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.248 5.617 -3.961 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.599 4.454 -4.899 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.239 5.618 -3.614 1.00 0.00 C ATOM 1294 CD1 ILE A 97 0.066 3.138 -4.551 1.00 0.00 C ATOM 0 H ILE A 97 -1.027 7.466 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.007 4.955 -2.886 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.452 6.551 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.680 4.313 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.320 4.729 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.827 5.639 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.472 6.498 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.481 4.718 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.240 2.375 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.149 3.257 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.232 2.834 -3.547 1.00 0.00 H new ATOM 1306 N TRP A 98 -0.292 3.652 -1.458 1.00 0.00 N ATOM 1307 CA TRP A 98 0.561 2.978 -0.485 1.00 0.00 C ATOM 1308 C TRP A 98 1.940 2.805 -1.094 1.00 0.00 C ATOM 1309 O TRP A 98 2.120 1.993 -2.002 1.00 0.00 O ATOM 1310 CB TRP A 98 0.012 1.600 -0.118 1.00 0.00 C ATOM 1311 CG TRP A 98 -1.159 1.611 0.812 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -2.325 0.930 0.635 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.280 2.300 2.067 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -3.171 1.154 1.690 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.556 1.990 2.582 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.446 3.149 2.809 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.011 2.492 3.794 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.904 3.643 4.013 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.176 3.313 4.495 1.00 0.00 C ATOM 0 H TRP A 98 -0.806 3.025 -2.077 1.00 0.00 H new ATOM 0 HA TRP A 98 0.599 3.584 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -0.276 1.085 -1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.812 1.017 0.337 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.551 0.303 -0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -4.107 0.761 1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.536 3.411 2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.992 2.241 4.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.270 4.296 4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.504 3.717 5.442 1.00 0.00 H new ATOM 1330 N LYS A 99 2.906 3.564 -0.616 1.00 0.00 N ATOM 1331 CA LYS A 99 4.226 3.546 -1.217 1.00 0.00 C ATOM 1332 C LYS A 99 5.234 2.814 -0.351 1.00 0.00 C ATOM 1333 O LYS A 99 5.263 2.977 0.872 1.00 0.00 O ATOM 1334 CB LYS A 99 4.710 4.968 -1.456 1.00 0.00 C ATOM 1335 CG LYS A 99 5.732 5.094 -2.570 1.00 0.00 C ATOM 1336 CD LYS A 99 5.273 6.086 -3.615 1.00 0.00 C ATOM 1337 CE LYS A 99 6.437 6.820 -4.238 1.00 0.00 C ATOM 1338 NZ LYS A 99 6.548 6.543 -5.691 1.00 0.00 N ATOM 0 H LYS A 99 2.805 4.195 0.179 1.00 0.00 H new ATOM 0 HA LYS A 99 4.143 3.014 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.852 5.598 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.144 5.353 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.689 5.412 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.893 4.120 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.714 5.564 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.591 6.804 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.317 7.892 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.361 6.526 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.749 7.428 -6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.319 5.865 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.653 6.141 -6.037 1.00 0.00 H new ATOM 1352 N ILE A 100 6.056 2.007 -0.997 1.00 0.00 N ATOM 1353 CA ILE A 100 7.193 1.393 -0.343 1.00 0.00 C ATOM 1354 C ILE A 100 8.439 2.222 -0.615 1.00 0.00 C ATOM 1355 O ILE A 100 8.877 2.339 -1.763 1.00 0.00 O ATOM 1356 CB ILE A 100 7.433 -0.053 -0.822 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.109 -0.754 -1.122 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.219 -0.834 0.222 1.00 0.00 C ATOM 1359 CD1 ILE A 100 6.175 -1.658 -2.328 1.00 0.00 C ATOM 0 H ILE A 100 5.954 1.761 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 100 6.978 1.358 0.725 1.00 0.00 H new ATOM 0 HB ILE A 100 8.015 -0.014 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.810 -1.340 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.335 -0.003 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.380 -1.853 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.182 -0.351 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.658 -0.858 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.203 -2.125 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.444 -1.073 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.926 -2.430 -2.163 1.00 0.00 H new ATOM 1371 N LYS A 101 8.973 2.836 0.427 1.00 0.00 N ATOM 1372 CA LYS A 101 10.194 3.616 0.306 1.00 0.00 C ATOM 1373 C LYS A 101 11.379 2.803 0.808 1.00 0.00 C ATOM 1374 O LYS A 101 11.485 2.518 2.002 1.00 0.00 O ATOM 1375 CB LYS A 101 10.067 4.929 1.086 1.00 0.00 C ATOM 1376 CG LYS A 101 11.121 5.968 0.724 1.00 0.00 C ATOM 1377 CD LYS A 101 10.747 6.748 -0.529 1.00 0.00 C ATOM 1378 CE LYS A 101 9.972 8.013 -0.194 1.00 0.00 C ATOM 1379 NZ LYS A 101 10.312 9.136 -1.111 1.00 0.00 N ATOM 0 H LYS A 101 8.580 2.810 1.368 1.00 0.00 H new ATOM 0 HA LYS A 101 10.358 3.859 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.078 5.352 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.134 4.714 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.249 6.660 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.080 5.473 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.651 7.010 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.147 6.117 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.903 7.809 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.185 8.307 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.668 9.934 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.292 9.439 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.214 8.821 -2.097 1.00 0.00 H new ATOM 1393 N ASN A 102 12.251 2.415 -0.111 1.00 0.00 N ATOM 1394 CA ASN A 102 13.414 1.609 0.229 1.00 0.00 C ATOM 1395 C ASN A 102 14.663 2.481 0.269 1.00 0.00 C ATOM 1396 O ASN A 102 14.935 3.240 -0.662 1.00 0.00 O ATOM 1397 CB ASN A 102 13.577 0.465 -0.774 1.00 0.00 C ATOM 1398 CG ASN A 102 14.782 -0.420 -0.484 1.00 0.00 C ATOM 1399 OD1 ASN A 102 15.285 -0.469 0.641 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.254 -1.124 -1.502 1.00 0.00 N ATOM 0 H ASN A 102 12.174 2.646 -1.101 1.00 0.00 H new ATOM 0 HA ASN A 102 13.268 1.175 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.675 -0.147 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.673 0.881 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.061 -1.734 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.810 -1.057 -2.418 1.00 0.00 H new ATOM 1407 N ASN A 103 15.415 2.360 1.352 1.00 0.00 N ATOM 1408 CA ASN A 103 16.547 3.243 1.610 1.00 0.00 C ATOM 1409 C ASN A 103 17.795 2.836 0.836 1.00 0.00 C ATOM 1410 O ASN A 103 18.472 3.684 0.258 1.00 0.00 O ATOM 1411 CB ASN A 103 16.877 3.261 3.103 1.00 0.00 C ATOM 1412 CG ASN A 103 15.709 3.694 3.960 1.00 0.00 C ATOM 1413 OD1 ASN A 103 15.072 4.716 3.697 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.420 2.923 4.997 1.00 0.00 N ATOM 0 H ASN A 103 15.262 1.654 2.072 1.00 0.00 H new ATOM 0 HA ASN A 103 16.249 4.236 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.197 2.266 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.717 3.934 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.645 3.167 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.973 2.085 5.179 1.00 0.00 H new ATOM 1421 N SER A 104 18.102 1.551 0.823 1.00 0.00 N ATOM 1422 CA SER A 104 19.388 1.097 0.311 1.00 0.00 C ATOM 1423 C SER A 104 19.249 0.386 -1.030 1.00 0.00 C ATOM 1424 O SER A 104 18.145 0.181 -1.528 1.00 0.00 O ATOM 1425 CB SER A 104 20.073 0.200 1.337 1.00 0.00 C ATOM 1426 OG SER A 104 20.175 0.859 2.591 1.00 0.00 O ATOM 0 H SER A 104 17.488 0.808 1.157 1.00 0.00 H new ATOM 0 HA SER A 104 20.009 1.976 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.509 -0.726 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.067 -0.074 0.982 1.00 0.00 H new ATOM 0 HG SER A 104 19.797 0.288 3.292 1.00 0.00 H new ATOM 1432 N SER A 105 20.389 0.007 -1.598 1.00 0.00 N ATOM 1433 CA SER A 105 20.459 -0.501 -2.963 1.00 0.00 C ATOM 1434 C SER A 105 20.031 -1.963 -3.074 1.00 0.00 C ATOM 1435 O SER A 105 19.900 -2.490 -4.178 1.00 0.00 O ATOM 1436 CB SER A 105 21.891 -0.347 -3.465 1.00 0.00 C ATOM 1437 OG SER A 105 22.728 0.145 -2.428 1.00 0.00 O ATOM 0 H SER A 105 21.291 0.044 -1.124 1.00 0.00 H new ATOM 0 HA SER A 105 19.764 0.077 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.265 -1.308 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.914 0.335 -4.315 1.00 0.00 H new ATOM 0 HG SER A 105 23.644 0.237 -2.763 1.00 0.00 H new ATOM 1443 N GLU A 106 19.802 -2.612 -1.946 1.00 0.00 N ATOM 1444 CA GLU A 106 19.467 -4.029 -1.957 1.00 0.00 C ATOM 1445 C GLU A 106 18.013 -4.229 -2.349 1.00 0.00 C ATOM 1446 O GLU A 106 17.121 -3.547 -1.835 1.00 0.00 O ATOM 1447 CB GLU A 106 19.712 -4.663 -0.587 1.00 0.00 C ATOM 1448 CG GLU A 106 21.112 -4.443 -0.048 1.00 0.00 C ATOM 1449 CD GLU A 106 22.192 -4.989 -0.957 1.00 0.00 C ATOM 1450 OE1 GLU A 106 22.401 -6.220 -0.978 1.00 0.00 O ATOM 1451 OE2 GLU A 106 22.851 -4.185 -1.643 1.00 0.00 O ATOM 0 H GLU A 106 19.841 -2.188 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 106 20.111 -4.514 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 106 18.992 -4.257 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.524 -5.735 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.275 -3.375 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.196 -4.915 0.931 1.00 0.00 H new ATOM 1458 N THR A 107 17.782 -5.148 -3.273 1.00 0.00 N ATOM 1459 CA THR A 107 16.434 -5.539 -3.630 1.00 0.00 C ATOM 1460 C THR A 107 15.788 -6.251 -2.448 1.00 0.00 C ATOM 1461 O THR A 107 16.055 -7.427 -2.186 1.00 0.00 O ATOM 1462 CB THR A 107 16.432 -6.457 -4.865 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.678 -6.329 -5.566 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.282 -6.108 -5.797 1.00 0.00 C ATOM 0 H THR A 107 18.514 -5.636 -3.788 1.00 0.00 H new ATOM 0 HA THR A 107 15.864 -4.644 -3.878 1.00 0.00 H new ATOM 0 HB THR A 107 16.305 -7.486 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.674 -6.916 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.301 -6.770 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.336 -6.229 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.383 -5.075 -6.128 1.00 0.00 H new ATOM 1472 N SER A 108 14.951 -5.527 -1.727 1.00 0.00 N ATOM 1473 CA SER A 108 14.422 -6.018 -0.467 1.00 0.00 C ATOM 1474 C SER A 108 13.051 -6.653 -0.656 1.00 0.00 C ATOM 1475 O SER A 108 12.194 -6.118 -1.356 1.00 0.00 O ATOM 1476 CB SER A 108 14.356 -4.869 0.536 1.00 0.00 C ATOM 1477 OG SER A 108 15.365 -3.909 0.269 1.00 0.00 O ATOM 0 H SER A 108 14.623 -4.598 -1.992 1.00 0.00 H new ATOM 0 HA SER A 108 15.087 -6.791 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.375 -4.395 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.475 -5.256 1.548 1.00 0.00 H new ATOM 0 HG SER A 108 16.080 -3.992 0.934 1.00 0.00 H new ATOM 1483 N ASN A 109 12.846 -7.802 -0.037 1.00 0.00 N ATOM 1484 CA ASN A 109 11.580 -8.504 -0.153 1.00 0.00 C ATOM 1485 C ASN A 109 10.553 -7.930 0.814 1.00 0.00 C ATOM 1486 O ASN A 109 10.699 -8.035 2.034 1.00 0.00 O ATOM 1487 CB ASN A 109 11.771 -10.002 0.098 1.00 0.00 C ATOM 1488 CG ASN A 109 10.466 -10.781 0.064 1.00 0.00 C ATOM 1489 OD1 ASN A 109 10.212 -11.622 0.923 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.633 -10.513 -0.926 1.00 0.00 N ATOM 0 H ASN A 109 13.538 -8.268 0.550 1.00 0.00 H new ATOM 0 HA ASN A 109 11.208 -8.367 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.449 -10.407 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.248 -10.144 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.746 -11.011 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.877 -9.808 -1.621 1.00 0.00 H new ATOM 1497 N TYR A 110 9.525 -7.304 0.259 1.00 0.00 N ATOM 1498 CA TYR A 110 8.458 -6.732 1.060 1.00 0.00 C ATOM 1499 C TYR A 110 7.254 -7.661 1.054 1.00 0.00 C ATOM 1500 O TYR A 110 7.008 -8.356 0.075 1.00 0.00 O ATOM 1501 CB TYR A 110 8.062 -5.334 0.540 1.00 0.00 C ATOM 1502 CG TYR A 110 7.544 -5.299 -0.894 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.246 -5.697 -1.197 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.353 -4.868 -1.945 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.771 -5.673 -2.494 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.882 -4.839 -3.246 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.592 -5.243 -3.515 1.00 0.00 C ATOM 1508 OH TYR A 110 6.118 -5.231 -4.810 1.00 0.00 O ATOM 0 H TYR A 110 9.409 -7.180 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 110 8.817 -6.619 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.295 -4.923 1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.929 -4.678 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.596 -6.032 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.365 -4.551 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.761 -5.990 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.523 -4.501 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 110 6.818 -4.900 -5.411 1.00 0.00 H new ATOM 1518 N SER A 111 6.528 -7.693 2.152 1.00 0.00 N ATOM 1519 CA SER A 111 5.295 -8.454 2.223 1.00 0.00 C ATOM 1520 C SER A 111 4.147 -7.520 2.587 1.00 0.00 C ATOM 1521 O SER A 111 3.845 -7.304 3.764 1.00 0.00 O ATOM 1522 CB SER A 111 5.435 -9.583 3.242 1.00 0.00 C ATOM 1523 OG SER A 111 6.683 -9.500 3.913 1.00 0.00 O ATOM 0 H SER A 111 6.770 -7.199 3.011 1.00 0.00 H new ATOM 0 HA SER A 111 5.082 -8.904 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.622 -9.529 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.350 -10.546 2.739 1.00 0.00 H new ATOM 0 HG SER A 111 7.347 -10.040 3.436 1.00 0.00 H new ATOM 1529 N LEU A 112 3.527 -6.951 1.566 1.00 0.00 N ATOM 1530 CA LEU A 112 2.545 -5.892 1.764 1.00 0.00 C ATOM 1531 C LEU A 112 1.116 -6.412 1.662 1.00 0.00 C ATOM 1532 O LEU A 112 0.679 -6.855 0.603 1.00 0.00 O ATOM 1533 CB LEU A 112 2.773 -4.776 0.741 1.00 0.00 C ATOM 1534 CG LEU A 112 2.008 -3.475 0.998 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.902 -3.178 2.485 1.00 0.00 C ATOM 1536 CD2 LEU A 112 2.684 -2.322 0.281 1.00 0.00 C ATOM 0 H LEU A 112 3.685 -7.203 0.590 1.00 0.00 H new ATOM 0 HA LEU A 112 2.678 -5.500 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.839 -4.549 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.497 -5.150 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 112 0.997 -3.597 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.353 -2.248 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.375 -3.993 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.902 -3.080 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.132 -1.402 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.705 -2.214 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.702 -2.520 -0.791 1.00 0.00 H new ATOM 1548 N ASP A 113 0.401 -6.347 2.776 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.006 -6.737 2.828 1.00 0.00 C ATOM 1550 C ASP A 113 -1.882 -5.491 2.773 1.00 0.00 C ATOM 1551 O ASP A 113 -2.197 -4.899 3.809 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.280 -7.518 4.120 1.00 0.00 C ATOM 1553 CG ASP A 113 -2.349 -8.586 3.980 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -2.599 -9.051 2.851 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -2.924 -8.990 5.016 1.00 0.00 O ATOM 0 H ASP A 113 0.776 -6.024 3.668 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.238 -7.374 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.354 -7.987 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.580 -6.818 4.899 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.239 -5.069 1.564 1.00 0.00 N ATOM 1561 CA ALA A 114 -2.991 -3.831 1.381 1.00 0.00 C ATOM 1562 C ALA A 114 -3.913 -3.889 0.163 1.00 0.00 C ATOM 1563 O ALA A 114 -3.911 -4.865 -0.593 1.00 0.00 O ATOM 1564 CB ALA A 114 -2.037 -2.652 1.259 1.00 0.00 C ATOM 0 H ALA A 114 -2.021 -5.563 0.699 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.622 -3.701 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.609 -1.734 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.437 -2.575 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.381 -2.802 0.401 1.00 0.00 H new ATOM 1570 N THR A 115 -4.693 -2.827 -0.017 1.00 0.00 N ATOM 1571 CA THR A 115 -5.578 -2.689 -1.166 1.00 0.00 C ATOM 1572 C THR A 115 -5.478 -1.265 -1.733 1.00 0.00 C ATOM 1573 O THR A 115 -6.079 -0.324 -1.215 1.00 0.00 O ATOM 1574 CB THR A 115 -7.043 -3.039 -0.787 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.950 -2.630 -1.818 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.450 -2.396 0.535 1.00 0.00 C ATOM 0 H THR A 115 -4.728 -2.039 0.630 1.00 0.00 H new ATOM 0 HA THR A 115 -5.264 -3.394 -1.936 1.00 0.00 H new ATOM 0 HB THR A 115 -7.093 -4.122 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.866 -2.862 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.481 -2.663 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.795 -2.752 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.366 -1.312 0.454 1.00 0.00 H new