USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -139:sc= 0.0637 (180deg=-0.396) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 9 TYR OH : rot 101:sc= 0.00408 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.038) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 22 SER OG : rot 180:sc= -0.15 USER MOD Single : A 29 TYR OH : rot -130:sc= 0.961 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.698! X(o=-0.7!,f=-0.22) USER MOD Single : A 34 SER OG : rot 180:sc= -0.234! USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.672) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= -0.0443 (180deg=-0.518) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.073) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -0.15 (180deg=-0.84) USER MOD Single : A 88 ASN : amide:sc= -0.484 K(o=-0.48,f=0.97) USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= -1.2 (180deg=-1.49!) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.219 -0.873 -19.494 1.00 0.00 N ATOM 44 CA VAL A 4 -10.971 -0.553 -18.060 1.00 0.00 C ATOM 45 C VAL A 4 -10.300 0.818 -17.951 1.00 0.00 C ATOM 46 O VAL A 4 -10.038 1.471 -18.941 1.00 0.00 O ATOM 47 CB VAL A 4 -10.056 -1.618 -17.452 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.631 -3.007 -17.733 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.662 -1.508 -18.075 1.00 0.00 C ATOM 0 HA VAL A 4 -11.919 -0.537 -17.522 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.987 -1.465 -16.375 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.979 -3.765 -17.300 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.624 -3.086 -17.290 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.701 -3.161 -18.810 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.009 -2.266 -17.642 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.732 -1.661 -19.152 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.251 -0.519 -17.875 1.00 0.00 H new ATOM 59 N THR A 5 -10.018 1.258 -16.756 1.00 0.00 N ATOM 60 CA THR A 5 -9.365 2.585 -16.585 1.00 0.00 C ATOM 61 C THR A 5 -8.120 2.433 -15.708 1.00 0.00 C ATOM 62 O THR A 5 -8.074 1.607 -14.818 1.00 0.00 O ATOM 63 CB THR A 5 -10.344 3.554 -15.917 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.395 3.861 -16.822 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.610 4.839 -15.530 1.00 0.00 C ATOM 0 H THR A 5 -10.212 0.755 -15.890 1.00 0.00 H new ATOM 0 HA THR A 5 -9.076 2.975 -17.561 1.00 0.00 H new ATOM 0 HB THR A 5 -10.758 3.092 -15.021 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.024 4.480 -16.395 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.308 5.528 -15.055 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.804 4.603 -14.835 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.194 5.304 -16.424 1.00 0.00 H new ATOM 73 N LYS A 6 -7.110 3.222 -15.953 1.00 0.00 N ATOM 74 CA LYS A 6 -5.870 3.120 -15.132 1.00 0.00 C ATOM 75 C LYS A 6 -5.802 4.300 -14.161 1.00 0.00 C ATOM 76 O LYS A 6 -6.434 5.318 -14.362 1.00 0.00 O ATOM 77 CB LYS A 6 -4.647 3.146 -16.052 1.00 0.00 C ATOM 78 CG LYS A 6 -4.786 2.058 -17.118 1.00 0.00 C ATOM 79 CD LYS A 6 -3.530 2.036 -17.991 1.00 0.00 C ATOM 80 CE LYS A 6 -3.931 1.892 -19.461 1.00 0.00 C ATOM 81 NZ LYS A 6 -4.759 0.664 -19.631 1.00 0.00 N ATOM 0 H LYS A 6 -7.090 3.932 -16.685 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.883 2.187 -14.569 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.556 4.124 -16.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.739 2.987 -15.471 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.930 1.087 -16.645 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.666 2.247 -17.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.959 2.953 -17.847 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.884 1.209 -17.697 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.491 2.769 -19.784 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.041 1.834 -20.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.480 0.176 -20.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.612 0.031 -18.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.763 0.928 -19.687 1.00 0.00 H new ATOM 95 N TYR A 7 -5.041 4.171 -13.109 1.00 0.00 N ATOM 96 CA TYR A 7 -4.934 5.286 -12.127 1.00 0.00 C ATOM 97 C TYR A 7 -3.460 5.644 -11.921 1.00 0.00 C ATOM 98 O TYR A 7 -2.695 4.875 -11.374 1.00 0.00 O ATOM 99 CB TYR A 7 -5.543 4.850 -10.792 1.00 0.00 C ATOM 100 CG TYR A 7 -6.970 5.336 -10.707 1.00 0.00 C ATOM 101 CD1 TYR A 7 -7.940 4.811 -11.568 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.322 6.311 -9.766 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.264 5.262 -11.489 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.644 6.762 -9.688 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.615 6.237 -10.549 1.00 0.00 C ATOM 106 OH TYR A 7 -10.921 6.681 -10.471 1.00 0.00 O ATOM 0 H TYR A 7 -4.489 3.342 -12.887 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.471 6.156 -12.505 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.512 3.764 -10.703 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.960 5.255 -9.965 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.668 4.058 -12.293 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.573 6.715 -9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.013 4.857 -12.153 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.916 7.515 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.995 7.357 -9.766 1.00 0.00 H new ATOM 116 N PHE A 8 -3.056 6.807 -12.356 1.00 0.00 N ATOM 117 CA PHE A 8 -1.633 7.213 -12.185 1.00 0.00 C ATOM 118 C PHE A 8 -1.386 7.607 -10.727 1.00 0.00 C ATOM 119 O PHE A 8 -2.308 7.865 -9.979 1.00 0.00 O ATOM 120 CB PHE A 8 -1.330 8.406 -13.094 1.00 0.00 C ATOM 121 CG PHE A 8 -1.689 8.057 -14.519 1.00 0.00 C ATOM 122 CD1 PHE A 8 -0.746 7.438 -15.347 1.00 0.00 C ATOM 123 CD2 PHE A 8 -2.966 8.355 -15.012 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.078 7.114 -16.668 1.00 0.00 C ATOM 125 CE2 PHE A 8 -3.298 8.031 -16.333 1.00 0.00 C ATOM 126 CZ PHE A 8 -2.354 7.411 -17.161 1.00 0.00 C ATOM 0 H PHE A 8 -3.650 7.493 -12.822 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.983 6.379 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.897 9.278 -12.768 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.274 8.669 -13.028 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.239 7.210 -14.967 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.694 8.834 -14.374 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.350 6.635 -17.306 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.283 8.259 -16.714 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.611 7.162 -18.180 1.00 0.00 H new ATOM 136 N TYR A 9 -0.148 7.656 -10.318 1.00 0.00 N ATOM 137 CA TYR A 9 0.157 8.034 -8.909 1.00 0.00 C ATOM 138 C TYR A 9 1.554 8.654 -8.838 1.00 0.00 C ATOM 139 O TYR A 9 2.552 7.960 -8.834 1.00 0.00 O ATOM 140 CB TYR A 9 0.107 6.786 -8.024 1.00 0.00 C ATOM 141 CG TYR A 9 0.364 7.176 -6.589 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.702 7.557 -5.765 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.669 7.159 -6.081 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.464 7.918 -4.434 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.907 7.520 -4.750 1.00 0.00 C ATOM 146 CZ TYR A 9 0.842 7.900 -3.926 1.00 0.00 C ATOM 147 OH TYR A 9 1.077 8.257 -2.614 1.00 0.00 O ATOM 0 H TYR A 9 0.665 7.451 -10.898 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.580 8.757 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.866 6.303 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.852 6.063 -8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.708 7.572 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.492 6.867 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.287 8.210 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.913 7.505 -4.359 1.00 0.00 H new ATOM 0 HH TYR A 9 1.189 7.449 -2.070 1.00 0.00 H new ATOM 157 N LYS A 10 1.634 9.955 -8.783 1.00 0.00 N ATOM 158 CA LYS A 10 2.966 10.618 -8.713 1.00 0.00 C ATOM 159 C LYS A 10 3.634 10.282 -7.377 1.00 0.00 C ATOM 160 O LYS A 10 3.272 10.805 -6.343 1.00 0.00 O ATOM 161 CB LYS A 10 2.788 12.133 -8.827 1.00 0.00 C ATOM 162 CG LYS A 10 4.160 12.802 -8.946 1.00 0.00 C ATOM 163 CD LYS A 10 3.982 14.270 -9.337 1.00 0.00 C ATOM 164 CE LYS A 10 4.814 15.151 -8.405 1.00 0.00 C ATOM 165 NZ LYS A 10 5.083 16.459 -9.067 1.00 0.00 N ATOM 0 H LYS A 10 0.834 10.588 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 10 3.592 10.263 -9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.178 12.373 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.260 12.514 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.695 12.730 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.764 12.287 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.292 14.422 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.930 14.549 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.283 15.309 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.753 14.655 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.649 17.059 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.606 16.299 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.182 16.933 -9.279 1.00 0.00 H new ATOM 179 N GLY A 11 4.606 9.412 -7.393 1.00 0.00 N ATOM 180 CA GLY A 11 5.296 9.043 -6.123 1.00 0.00 C ATOM 181 C GLY A 11 6.418 10.043 -5.842 1.00 0.00 C ATOM 182 O GLY A 11 6.434 11.138 -6.368 1.00 0.00 O ATOM 0 H GLY A 11 4.952 8.941 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.584 9.038 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.704 8.035 -6.198 1.00 0.00 H new ATOM 186 N GLU A 12 7.359 9.677 -5.014 1.00 0.00 N ATOM 187 CA GLU A 12 8.479 10.607 -4.700 1.00 0.00 C ATOM 188 C GLU A 12 9.027 11.204 -5.999 1.00 0.00 C ATOM 189 O GLU A 12 8.706 12.317 -6.365 1.00 0.00 O ATOM 190 CB GLU A 12 9.592 9.842 -3.981 1.00 0.00 C ATOM 191 CG GLU A 12 9.331 9.855 -2.474 1.00 0.00 C ATOM 192 CD GLU A 12 9.673 8.487 -1.883 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.915 7.558 -2.111 1.00 0.00 O ATOM 194 OE2 GLU A 12 10.687 8.390 -1.212 1.00 0.00 O ATOM 0 H GLU A 12 7.400 8.774 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 12 8.115 11.408 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.635 8.815 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.559 10.297 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.932 10.629 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.286 10.097 -2.278 1.00 0.00 H new ATOM 201 N ASN A 13 9.851 10.472 -6.696 1.00 0.00 N ATOM 202 CA ASN A 13 10.419 10.998 -7.970 1.00 0.00 C ATOM 203 C ASN A 13 9.763 10.283 -9.154 1.00 0.00 C ATOM 204 O ASN A 13 9.263 10.907 -10.069 1.00 0.00 O ATOM 205 CB ASN A 13 11.928 10.750 -7.997 1.00 0.00 C ATOM 206 CG ASN A 13 12.603 11.591 -6.913 1.00 0.00 C ATOM 207 OD1 ASN A 13 13.693 11.279 -6.475 1.00 0.00 O ATOM 208 ND2 ASN A 13 11.998 12.654 -6.457 1.00 0.00 N ATOM 0 H ASN A 13 10.156 9.533 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 13 10.226 12.069 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.136 9.693 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.332 11.007 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.440 13.222 -5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.083 12.917 -6.824 1.00 0.00 H new ATOM 215 N THR A 14 9.762 8.978 -9.144 1.00 0.00 N ATOM 216 CA THR A 14 9.139 8.225 -10.268 1.00 0.00 C ATOM 217 C THR A 14 7.623 8.175 -10.071 1.00 0.00 C ATOM 218 O THR A 14 7.104 8.605 -9.060 1.00 0.00 O ATOM 219 CB THR A 14 9.697 6.800 -10.299 1.00 0.00 C ATOM 220 OG1 THR A 14 9.230 6.136 -11.466 1.00 0.00 O ATOM 221 CG2 THR A 14 9.232 6.041 -9.057 1.00 0.00 C ATOM 0 H THR A 14 10.166 8.401 -8.406 1.00 0.00 H new ATOM 0 HA THR A 14 9.366 8.725 -11.210 1.00 0.00 H new ATOM 0 HB THR A 14 10.786 6.836 -10.312 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.588 5.224 -11.489 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.630 5.027 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.591 6.551 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.143 6.003 -9.040 1.00 0.00 H new ATOM 229 N ASP A 15 6.908 7.653 -11.029 1.00 0.00 N ATOM 230 CA ASP A 15 5.425 7.576 -10.896 1.00 0.00 C ATOM 231 C ASP A 15 4.984 6.111 -10.952 1.00 0.00 C ATOM 232 O ASP A 15 5.671 5.267 -11.492 1.00 0.00 O ATOM 233 CB ASP A 15 4.768 8.351 -12.040 1.00 0.00 C ATOM 234 CG ASP A 15 3.247 8.244 -11.923 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.732 7.156 -12.120 1.00 0.00 O ATOM 236 OD2 ASP A 15 2.622 9.252 -11.636 1.00 0.00 O ATOM 0 H ASP A 15 7.286 7.276 -11.898 1.00 0.00 H new ATOM 0 HA ASP A 15 5.123 8.011 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.073 9.397 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.098 7.953 -12.999 1.00 0.00 H new ATOM 241 N LEU A 16 3.844 5.803 -10.398 1.00 0.00 N ATOM 242 CA LEU A 16 3.361 4.394 -10.420 1.00 0.00 C ATOM 243 C LEU A 16 1.981 4.337 -11.079 1.00 0.00 C ATOM 244 O LEU A 16 1.263 5.316 -11.125 1.00 0.00 O ATOM 245 CB LEU A 16 3.264 3.866 -8.988 1.00 0.00 C ATOM 246 CG LEU A 16 4.658 3.837 -8.358 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.530 3.840 -6.834 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.393 2.572 -8.806 1.00 0.00 C ATOM 0 H LEU A 16 3.226 6.466 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 16 4.060 3.780 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.601 4.500 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.832 2.865 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 16 5.219 4.716 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.523 3.819 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.006 4.741 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.969 2.962 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.386 2.550 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.832 1.693 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.485 2.570 -9.892 1.00 0.00 H new ATOM 260 N ILE A 17 1.605 3.197 -11.590 1.00 0.00 N ATOM 261 CA ILE A 17 0.272 3.077 -12.245 1.00 0.00 C ATOM 262 C ILE A 17 -0.419 1.800 -11.762 1.00 0.00 C ATOM 263 O ILE A 17 0.214 0.787 -11.539 1.00 0.00 O ATOM 264 CB ILE A 17 0.452 3.015 -13.762 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.344 4.174 -14.216 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.913 3.128 -14.445 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.232 4.343 -15.732 1.00 0.00 C ATOM 0 H ILE A 17 2.163 2.343 -11.582 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.339 3.942 -11.987 1.00 0.00 H new ATOM 0 HB ILE A 17 0.917 2.067 -14.033 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.045 5.094 -13.714 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.380 3.980 -13.937 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.784 3.084 -15.526 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.551 2.305 -14.122 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.378 4.076 -14.174 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.867 5.168 -16.054 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.552 3.425 -16.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.197 4.556 -15.999 1.00 0.00 H new ATOM 279 N VAL A 18 -1.712 1.839 -11.595 1.00 0.00 N ATOM 280 CA VAL A 18 -2.440 0.627 -11.125 1.00 0.00 C ATOM 281 C VAL A 18 -3.621 0.346 -12.056 1.00 0.00 C ATOM 282 O VAL A 18 -4.013 1.181 -12.846 1.00 0.00 O ATOM 283 CB VAL A 18 -2.955 0.861 -9.703 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.920 0.361 -8.695 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.193 2.358 -9.489 1.00 0.00 C ATOM 0 H VAL A 18 -2.296 2.658 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.763 -0.227 -11.131 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.890 0.319 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.288 0.528 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.749 -0.705 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.984 0.902 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.560 2.527 -8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.257 2.899 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.931 2.715 -10.207 1.00 0.00 H new ATOM 295 N PHE A 19 -4.192 -0.824 -11.968 1.00 0.00 N ATOM 296 CA PHE A 19 -5.347 -1.158 -12.847 1.00 0.00 C ATOM 297 C PHE A 19 -6.636 -1.141 -12.023 1.00 0.00 C ATOM 298 O PHE A 19 -6.658 -1.554 -10.881 1.00 0.00 O ATOM 299 CB PHE A 19 -5.145 -2.551 -13.449 1.00 0.00 C ATOM 300 CG PHE A 19 -4.629 -2.419 -14.862 1.00 0.00 C ATOM 301 CD1 PHE A 19 -5.513 -2.108 -15.902 1.00 0.00 C ATOM 302 CD2 PHE A 19 -3.269 -2.609 -15.131 1.00 0.00 C ATOM 303 CE1 PHE A 19 -5.035 -1.986 -17.212 1.00 0.00 C ATOM 304 CE2 PHE A 19 -2.791 -2.487 -16.441 1.00 0.00 C ATOM 305 CZ PHE A 19 -3.674 -2.176 -17.482 1.00 0.00 C ATOM 0 H PHE A 19 -3.908 -1.563 -11.325 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.418 -0.423 -13.649 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.439 -3.121 -12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.086 -3.101 -13.444 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.563 -1.962 -15.694 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.588 -2.850 -14.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.716 -1.745 -18.015 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.741 -2.633 -16.649 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.306 -2.083 -18.493 1.00 0.00 H new ATOM 315 N ALA A 20 -7.710 -0.667 -12.592 1.00 0.00 N ATOM 316 CA ALA A 20 -8.994 -0.624 -11.840 1.00 0.00 C ATOM 317 C ALA A 20 -10.143 -1.022 -12.768 1.00 0.00 C ATOM 318 O ALA A 20 -9.939 -1.341 -13.924 1.00 0.00 O ATOM 319 CB ALA A 20 -9.231 0.793 -11.315 1.00 0.00 C ATOM 0 H ALA A 20 -7.753 -0.308 -13.546 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.946 -1.319 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.171 0.825 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.413 1.077 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.278 1.488 -12.153 1.00 0.00 H new ATOM 325 N ALA A 21 -11.351 -1.007 -12.274 1.00 0.00 N ATOM 326 CA ALA A 21 -12.511 -1.384 -13.129 1.00 0.00 C ATOM 327 C ALA A 21 -13.137 -0.122 -13.726 1.00 0.00 C ATOM 328 O ALA A 21 -12.991 0.160 -14.899 1.00 0.00 O ATOM 329 CB ALA A 21 -13.552 -2.118 -12.282 1.00 0.00 C ATOM 0 H ALA A 21 -11.584 -0.750 -11.315 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.172 -2.036 -13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.401 -2.394 -12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.107 -3.018 -11.857 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.891 -1.466 -11.477 1.00 0.00 H new ATOM 335 N SER A 22 -13.834 0.640 -12.928 1.00 0.00 N ATOM 336 CA SER A 22 -14.468 1.883 -13.450 1.00 0.00 C ATOM 337 C SER A 22 -14.510 2.937 -12.342 1.00 0.00 C ATOM 338 O SER A 22 -14.300 2.643 -11.183 1.00 0.00 O ATOM 339 CB SER A 22 -15.892 1.573 -13.913 1.00 0.00 C ATOM 340 OG SER A 22 -15.964 0.217 -14.330 1.00 0.00 O ATOM 0 H SER A 22 -13.992 0.455 -11.937 1.00 0.00 H new ATOM 0 HA SER A 22 -13.887 2.262 -14.291 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.598 1.754 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.172 2.233 -14.734 1.00 0.00 H new ATOM 0 HG SER A 22 -16.876 0.014 -14.626 1.00 0.00 H new ATOM 346 N GLU A 23 -14.781 4.166 -12.690 1.00 0.00 N ATOM 347 CA GLU A 23 -14.837 5.237 -11.657 1.00 0.00 C ATOM 348 C GLU A 23 -16.060 5.021 -10.763 1.00 0.00 C ATOM 349 O GLU A 23 -16.017 5.249 -9.571 1.00 0.00 O ATOM 350 CB GLU A 23 -14.939 6.603 -12.343 1.00 0.00 C ATOM 351 CG GLU A 23 -13.830 7.521 -11.822 1.00 0.00 C ATOM 352 CD GLU A 23 -13.733 8.760 -12.714 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.964 8.628 -13.905 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.430 9.820 -12.191 1.00 0.00 O ATOM 0 H GLU A 23 -14.966 4.473 -13.645 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.933 5.203 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.852 6.487 -13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.915 7.048 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.040 7.815 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.878 6.990 -11.813 1.00 0.00 H new ATOM 361 N GLU A 24 -17.151 4.581 -11.330 1.00 0.00 N ATOM 362 CA GLU A 24 -18.375 4.351 -10.512 1.00 0.00 C ATOM 363 C GLU A 24 -18.083 3.296 -9.444 1.00 0.00 C ATOM 364 O GLU A 24 -18.504 3.415 -8.310 1.00 0.00 O ATOM 365 CB GLU A 24 -19.507 3.862 -11.417 1.00 0.00 C ATOM 366 CG GLU A 24 -20.812 3.811 -10.619 1.00 0.00 C ATOM 367 CD GLU A 24 -21.989 4.127 -11.543 1.00 0.00 C ATOM 368 OE1 GLU A 24 -22.296 3.298 -12.383 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.564 5.193 -11.394 1.00 0.00 O ATOM 0 H GLU A 24 -17.247 4.371 -12.324 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.672 5.283 -10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.617 4.529 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.271 2.874 -11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.940 2.824 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.777 4.528 -9.799 1.00 0.00 H new ATOM 376 N LEU A 25 -17.364 2.265 -9.794 1.00 0.00 N ATOM 377 CA LEU A 25 -17.046 1.204 -8.798 1.00 0.00 C ATOM 378 C LEU A 25 -16.062 1.755 -7.764 1.00 0.00 C ATOM 379 O LEU A 25 -16.282 1.663 -6.572 1.00 0.00 O ATOM 380 CB LEU A 25 -16.418 0.005 -9.511 1.00 0.00 C ATOM 381 CG LEU A 25 -17.480 -1.076 -9.724 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.040 -2.009 -10.852 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.651 -1.881 -8.433 1.00 0.00 C ATOM 0 H LEU A 25 -16.983 2.112 -10.728 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.962 0.889 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.002 0.315 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.593 -0.392 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.428 -0.608 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.797 -2.779 -11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.916 -1.436 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.093 -2.479 -10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.407 -2.652 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.703 -2.349 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.965 -1.216 -7.628 1.00 0.00 H new ATOM 395 N VAL A 26 -14.978 2.328 -8.209 1.00 0.00 N ATOM 396 CA VAL A 26 -13.981 2.884 -7.251 1.00 0.00 C ATOM 397 C VAL A 26 -14.692 3.798 -6.251 1.00 0.00 C ATOM 398 O VAL A 26 -14.439 3.750 -5.064 1.00 0.00 O ATOM 399 CB VAL A 26 -12.929 3.687 -8.017 1.00 0.00 C ATOM 400 CG1 VAL A 26 -12.116 4.532 -7.036 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.996 2.727 -8.758 1.00 0.00 C ATOM 0 H VAL A 26 -14.739 2.435 -9.195 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.495 2.067 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.424 4.341 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.366 5.104 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.780 5.216 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.621 3.879 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.246 3.298 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.502 2.073 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.575 2.125 -9.458 1.00 0.00 H new ATOM 411 N ASP A 27 -15.580 4.630 -6.721 1.00 0.00 N ATOM 412 CA ASP A 27 -16.305 5.547 -5.796 1.00 0.00 C ATOM 413 C ASP A 27 -17.104 4.721 -4.785 1.00 0.00 C ATOM 414 O ASP A 27 -17.148 5.033 -3.612 1.00 0.00 O ATOM 415 CB ASP A 27 -17.260 6.431 -6.600 1.00 0.00 C ATOM 416 CG ASP A 27 -17.358 7.808 -5.940 1.00 0.00 C ATOM 417 OD1 ASP A 27 -17.962 7.895 -4.883 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.828 8.752 -6.502 1.00 0.00 O ATOM 0 H ASP A 27 -15.835 4.715 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.587 6.175 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.903 6.532 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.246 5.969 -6.650 1.00 0.00 H new ATOM 423 N GLU A 28 -17.737 3.670 -5.231 1.00 0.00 N ATOM 424 CA GLU A 28 -18.531 2.826 -4.295 1.00 0.00 C ATOM 425 C GLU A 28 -17.592 2.162 -3.285 1.00 0.00 C ATOM 426 O GLU A 28 -17.934 1.973 -2.135 1.00 0.00 O ATOM 427 CB GLU A 28 -19.274 1.748 -5.086 1.00 0.00 C ATOM 428 CG GLU A 28 -20.731 2.171 -5.284 1.00 0.00 C ATOM 429 CD GLU A 28 -21.383 1.278 -6.341 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.817 0.240 -6.642 1.00 0.00 O ATOM 431 OE2 GLU A 28 -22.438 1.647 -6.831 1.00 0.00 O ATOM 0 H GLU A 28 -17.738 3.360 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.251 3.450 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.794 1.596 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.230 0.797 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.274 2.094 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.779 3.215 -5.595 1.00 0.00 H new ATOM 438 N TYR A 29 -16.410 1.806 -3.708 1.00 0.00 N ATOM 439 CA TYR A 29 -15.449 1.154 -2.774 1.00 0.00 C ATOM 440 C TYR A 29 -15.046 2.147 -1.682 1.00 0.00 C ATOM 441 O TYR A 29 -15.160 1.869 -0.505 1.00 0.00 O ATOM 442 CB TYR A 29 -14.205 0.713 -3.549 1.00 0.00 C ATOM 443 CG TYR A 29 -13.137 0.272 -2.577 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.419 -0.720 -1.630 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.865 0.854 -2.622 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.430 -1.131 -0.729 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.875 0.444 -1.721 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.157 -0.548 -0.774 1.00 0.00 C ATOM 449 OH TYR A 29 -10.182 -0.952 0.113 1.00 0.00 O ATOM 0 H TYR A 29 -16.068 1.938 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.919 0.283 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.456 -0.104 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.836 1.534 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.401 -1.169 -1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.647 1.620 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.648 -1.897 0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.893 0.893 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.783 -0.166 0.541 1.00 0.00 H new ATOM 459 N LEU A 30 -14.574 3.302 -2.062 1.00 0.00 N ATOM 460 CA LEU A 30 -14.165 4.311 -1.045 1.00 0.00 C ATOM 461 C LEU A 30 -15.310 4.531 -0.055 1.00 0.00 C ATOM 462 O LEU A 30 -15.112 5.013 1.042 1.00 0.00 O ATOM 463 CB LEU A 30 -13.832 5.632 -1.741 1.00 0.00 C ATOM 464 CG LEU A 30 -12.741 5.397 -2.787 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.309 6.737 -3.385 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.537 4.725 -2.123 1.00 0.00 C ATOM 0 H LEU A 30 -14.454 3.591 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.286 3.951 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.724 6.040 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.497 6.367 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.128 4.754 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.532 6.569 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.166 7.218 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.921 7.380 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.758 4.557 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.151 5.369 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.843 3.770 -1.696 1.00 0.00 H new ATOM 478 N LYS A 31 -16.509 4.178 -0.432 1.00 0.00 N ATOM 479 CA LYS A 31 -17.666 4.366 0.488 1.00 0.00 C ATOM 480 C LYS A 31 -17.616 3.305 1.590 1.00 0.00 C ATOM 481 O LYS A 31 -17.820 3.594 2.753 1.00 0.00 O ATOM 482 CB LYS A 31 -18.971 4.224 -0.298 1.00 0.00 C ATOM 483 CG LYS A 31 -20.120 4.833 0.509 1.00 0.00 C ATOM 484 CD LYS A 31 -21.425 4.115 0.159 1.00 0.00 C ATOM 485 CE LYS A 31 -22.611 5.025 0.483 1.00 0.00 C ATOM 486 NZ LYS A 31 -23.874 4.236 0.425 1.00 0.00 N ATOM 0 H LYS A 31 -16.737 3.768 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.618 5.359 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.884 4.725 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.173 3.172 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.917 4.742 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.208 5.897 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.434 3.850 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.503 3.185 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.488 5.462 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.653 5.851 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -24.680 4.855 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -23.992 3.840 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.832 3.462 1.118 1.00 0.00 H new ATOM 500 N ASN A 32 -17.345 2.080 1.234 1.00 0.00 N ATOM 501 CA ASN A 32 -17.281 1.002 2.261 1.00 0.00 C ATOM 502 C ASN A 32 -15.982 0.212 2.090 1.00 0.00 C ATOM 503 O ASN A 32 -15.977 -0.886 1.570 1.00 0.00 O ATOM 504 CB ASN A 32 -18.476 0.062 2.089 1.00 0.00 C ATOM 505 CG ASN A 32 -19.599 0.485 3.039 1.00 0.00 C ATOM 506 OD1 ASN A 32 -20.503 -0.282 3.308 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.580 1.681 3.560 1.00 0.00 N ATOM 0 H ASN A 32 -17.165 1.778 0.276 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.308 1.446 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.828 0.089 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.177 -0.965 2.297 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.324 1.973 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.821 2.324 3.334 1.00 0.00 H new ATOM 514 N PRO A 33 -14.889 0.775 2.525 1.00 0.00 N ATOM 515 CA PRO A 33 -13.550 0.126 2.425 1.00 0.00 C ATOM 516 C PRO A 33 -13.577 -1.333 2.889 1.00 0.00 C ATOM 517 O PRO A 33 -14.504 -1.771 3.540 1.00 0.00 O ATOM 518 CB PRO A 33 -12.671 0.965 3.352 1.00 0.00 C ATOM 519 CG PRO A 33 -13.315 2.313 3.401 1.00 0.00 C ATOM 520 CD PRO A 33 -14.811 2.097 3.163 1.00 0.00 C ATOM 0 HA PRO A 33 -13.191 0.093 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.613 0.521 4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.651 1.031 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.142 2.789 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.894 2.971 2.641 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.370 2.121 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.228 2.874 2.522 1.00 0.00 H new ATOM 528 N SER A 34 -12.565 -2.088 2.558 1.00 0.00 N ATOM 529 CA SER A 34 -12.533 -3.517 2.979 1.00 0.00 C ATOM 530 C SER A 34 -11.564 -4.291 2.082 1.00 0.00 C ATOM 531 O SER A 34 -10.875 -3.722 1.260 1.00 0.00 O ATOM 532 CB SER A 34 -13.934 -4.118 2.855 1.00 0.00 C ATOM 533 OG SER A 34 -13.829 -5.474 2.444 1.00 0.00 O ATOM 0 H SER A 34 -11.760 -1.777 2.015 1.00 0.00 H new ATOM 0 HA SER A 34 -12.201 -3.583 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.455 -4.055 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.522 -3.552 2.133 1.00 0.00 H new ATOM 0 HG SER A 34 -14.725 -5.862 2.365 1.00 0.00 H new ATOM 539 N ILE A 35 -11.508 -5.586 2.232 1.00 0.00 N ATOM 540 CA ILE A 35 -10.585 -6.394 1.387 1.00 0.00 C ATOM 541 C ILE A 35 -11.399 -7.323 0.484 1.00 0.00 C ATOM 542 O ILE A 35 -10.889 -7.889 -0.462 1.00 0.00 O ATOM 543 CB ILE A 35 -9.670 -7.229 2.286 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.496 -7.763 1.462 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.459 -8.403 2.868 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.210 -7.046 1.880 1.00 0.00 C ATOM 0 H ILE A 35 -12.061 -6.119 2.903 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.981 -5.728 0.771 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.292 -6.607 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.391 -8.837 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.683 -7.607 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.807 -8.998 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.296 -8.024 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.837 -9.025 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.374 -7.426 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.318 -5.975 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.021 -7.225 2.939 1.00 0.00 H new ATOM 558 N GLY A 36 -12.661 -7.486 0.771 1.00 0.00 N ATOM 559 CA GLY A 36 -13.507 -8.380 -0.071 1.00 0.00 C ATOM 560 C GLY A 36 -13.908 -7.648 -1.353 1.00 0.00 C ATOM 561 O GLY A 36 -14.311 -8.255 -2.325 1.00 0.00 O ATOM 0 H GLY A 36 -13.143 -7.040 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.960 -9.290 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.397 -8.682 0.481 1.00 0.00 H new ATOM 565 N LYS A 37 -13.799 -6.348 -1.364 1.00 0.00 N ATOM 566 CA LYS A 37 -14.174 -5.580 -2.584 1.00 0.00 C ATOM 567 C LYS A 37 -12.907 -5.151 -3.328 1.00 0.00 C ATOM 568 O LYS A 37 -12.944 -4.820 -4.497 1.00 0.00 O ATOM 569 CB LYS A 37 -14.973 -4.338 -2.179 1.00 0.00 C ATOM 570 CG LYS A 37 -15.563 -3.681 -3.428 1.00 0.00 C ATOM 571 CD LYS A 37 -16.846 -2.936 -3.057 1.00 0.00 C ATOM 572 CE LYS A 37 -17.352 -2.153 -4.269 1.00 0.00 C ATOM 573 NZ LYS A 37 -17.852 -3.104 -5.301 1.00 0.00 N ATOM 0 H LYS A 37 -13.467 -5.785 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.782 -6.208 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.771 -4.615 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.328 -3.633 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.841 -2.989 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.775 -4.437 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.606 -3.643 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.657 -2.257 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.149 -1.473 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.549 -1.541 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.462 -2.597 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.046 -3.520 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.398 -3.860 -4.841 1.00 0.00 H new ATOM 587 N LEU A 38 -11.787 -5.153 -2.659 1.00 0.00 N ATOM 588 CA LEU A 38 -10.520 -4.745 -3.329 1.00 0.00 C ATOM 589 C LEU A 38 -10.207 -5.721 -4.465 1.00 0.00 C ATOM 590 O LEU A 38 -9.653 -5.349 -5.481 1.00 0.00 O ATOM 591 CB LEU A 38 -9.376 -4.763 -2.312 1.00 0.00 C ATOM 592 CG LEU A 38 -8.109 -4.202 -2.958 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.273 -2.697 -3.183 1.00 0.00 C ATOM 594 CD2 LEU A 38 -6.913 -4.451 -2.036 1.00 0.00 C ATOM 0 H LEU A 38 -11.694 -5.419 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.631 -3.739 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.644 -4.170 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.200 -5.781 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.941 -4.696 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.370 -2.297 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.125 -2.518 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.442 -2.202 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.009 -4.051 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.082 -3.957 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.795 -5.523 -1.875 1.00 0.00 H new ATOM 606 N SER A 39 -10.555 -6.968 -4.303 1.00 0.00 N ATOM 607 CA SER A 39 -10.277 -7.965 -5.374 1.00 0.00 C ATOM 608 C SER A 39 -11.187 -7.695 -6.572 1.00 0.00 C ATOM 609 O SER A 39 -10.912 -8.113 -7.680 1.00 0.00 O ATOM 610 CB SER A 39 -10.542 -9.373 -4.839 1.00 0.00 C ATOM 611 OG SER A 39 -11.944 -9.566 -4.700 1.00 0.00 O ATOM 0 H SER A 39 -11.020 -7.339 -3.475 1.00 0.00 H new ATOM 0 HA SER A 39 -9.235 -7.884 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.126 -10.117 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.047 -9.508 -3.877 1.00 0.00 H new ATOM 0 HG SER A 39 -12.118 -10.468 -4.359 1.00 0.00 H new ATOM 617 N GLU A 40 -12.271 -6.997 -6.362 1.00 0.00 N ATOM 618 CA GLU A 40 -13.197 -6.701 -7.491 1.00 0.00 C ATOM 619 C GLU A 40 -12.696 -5.471 -8.252 1.00 0.00 C ATOM 620 O GLU A 40 -12.570 -5.485 -9.460 1.00 0.00 O ATOM 621 CB GLU A 40 -14.599 -6.426 -6.943 1.00 0.00 C ATOM 622 CG GLU A 40 -15.342 -7.750 -6.753 1.00 0.00 C ATOM 623 CD GLU A 40 -16.222 -7.668 -5.505 1.00 0.00 C ATOM 624 OE1 GLU A 40 -16.427 -6.568 -5.021 1.00 0.00 O ATOM 625 OE2 GLU A 40 -16.676 -8.707 -5.055 1.00 0.00 O ATOM 0 H GLU A 40 -12.554 -6.620 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.233 -7.556 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.532 -5.895 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.150 -5.783 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.954 -7.964 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.629 -8.568 -6.655 1.00 0.00 H new ATOM 632 N VAL A 41 -12.410 -4.406 -7.554 1.00 0.00 N ATOM 633 CA VAL A 41 -11.919 -3.177 -8.239 1.00 0.00 C ATOM 634 C VAL A 41 -10.529 -3.441 -8.821 1.00 0.00 C ATOM 635 O VAL A 41 -10.190 -2.959 -9.884 1.00 0.00 O ATOM 636 CB VAL A 41 -11.840 -2.029 -7.230 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.688 -0.703 -7.979 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.120 -1.997 -6.394 1.00 0.00 C ATOM 0 H VAL A 41 -12.495 -4.334 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.605 -2.908 -9.042 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.981 -2.178 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.632 0.116 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.777 -0.725 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.547 -0.554 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.065 -1.180 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.978 -1.847 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.231 -2.942 -5.862 1.00 0.00 H new ATOM 648 N VAL A 42 -9.722 -4.203 -8.135 1.00 0.00 N ATOM 649 CA VAL A 42 -8.356 -4.496 -8.653 1.00 0.00 C ATOM 650 C VAL A 42 -8.389 -5.784 -9.479 1.00 0.00 C ATOM 651 O VAL A 42 -8.569 -6.865 -8.955 1.00 0.00 O ATOM 652 CB VAL A 42 -7.392 -4.670 -7.477 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.022 -5.105 -8.000 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.255 -3.341 -6.727 1.00 0.00 C ATOM 0 H VAL A 42 -9.949 -4.635 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.020 -3.670 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.780 -5.431 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.335 -5.229 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.119 -6.051 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.634 -4.345 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.568 -3.465 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.868 -2.579 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.231 -3.032 -6.353 1.00 0.00 H new ATOM 664 N GLU A 43 -8.216 -5.676 -10.768 1.00 0.00 N ATOM 665 CA GLU A 43 -8.238 -6.893 -11.627 1.00 0.00 C ATOM 666 C GLU A 43 -6.880 -7.594 -11.553 1.00 0.00 C ATOM 667 O GLU A 43 -6.749 -8.754 -11.889 1.00 0.00 O ATOM 668 CB GLU A 43 -8.527 -6.492 -13.074 1.00 0.00 C ATOM 669 CG GLU A 43 -8.149 -7.642 -14.009 1.00 0.00 C ATOM 670 CD GLU A 43 -8.740 -7.387 -15.397 1.00 0.00 C ATOM 671 OE1 GLU A 43 -8.610 -6.274 -15.880 1.00 0.00 O ATOM 672 OE2 GLU A 43 -9.312 -8.309 -15.954 1.00 0.00 O ATOM 0 H GLU A 43 -8.060 -4.798 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.016 -7.571 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.583 -6.247 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.962 -5.597 -13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.065 -7.730 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.522 -8.586 -13.611 1.00 0.00 H new ATOM 679 N LEU A 44 -5.866 -6.898 -11.116 1.00 0.00 N ATOM 680 CA LEU A 44 -4.517 -7.524 -11.021 1.00 0.00 C ATOM 681 C LEU A 44 -3.732 -6.876 -9.879 1.00 0.00 C ATOM 682 O LEU A 44 -3.818 -5.685 -9.653 1.00 0.00 O ATOM 683 CB LEU A 44 -3.765 -7.318 -12.338 1.00 0.00 C ATOM 684 CG LEU A 44 -3.131 -8.639 -12.776 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.165 -9.476 -13.532 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.940 -8.353 -13.692 1.00 0.00 C ATOM 0 H LEU A 44 -5.914 -5.923 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.625 -8.591 -10.827 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.449 -6.958 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.995 -6.556 -12.214 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.792 -9.188 -11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.713 -10.417 -13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.015 -9.680 -12.881 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.505 -8.928 -14.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.487 -9.294 -14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.280 -7.804 -14.570 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.203 -7.757 -13.155 1.00 0.00 H new ATOM 698 N PHE A 45 -2.969 -7.649 -9.157 1.00 0.00 N ATOM 699 CA PHE A 45 -2.181 -7.076 -8.030 1.00 0.00 C ATOM 700 C PHE A 45 -0.740 -6.838 -8.485 1.00 0.00 C ATOM 701 O PHE A 45 0.179 -7.498 -8.041 1.00 0.00 O ATOM 702 CB PHE A 45 -2.190 -8.052 -6.852 1.00 0.00 C ATOM 703 CG PHE A 45 -3.474 -7.890 -6.074 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.700 -8.192 -6.676 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.436 -7.437 -4.750 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.891 -8.041 -5.955 1.00 0.00 C ATOM 707 CE2 PHE A 45 -4.627 -7.286 -4.027 1.00 0.00 C ATOM 708 CZ PHE A 45 -5.853 -7.588 -4.630 1.00 0.00 C ATOM 0 H PHE A 45 -2.857 -8.653 -9.299 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.625 -6.130 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.098 -9.076 -7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.334 -7.865 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.728 -8.542 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.489 -7.204 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.838 -8.274 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.599 -6.937 -3.005 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.771 -7.472 -4.073 1.00 0.00 H new ATOM 718 N GLU A 46 -0.533 -5.899 -9.369 1.00 0.00 N ATOM 719 CA GLU A 46 0.849 -5.620 -9.851 1.00 0.00 C ATOM 720 C GLU A 46 0.963 -4.146 -10.243 1.00 0.00 C ATOM 721 O GLU A 46 0.165 -3.632 -11.001 1.00 0.00 O ATOM 722 CB GLU A 46 1.152 -6.497 -11.067 1.00 0.00 C ATOM 723 CG GLU A 46 2.593 -6.258 -11.524 1.00 0.00 C ATOM 724 CD GLU A 46 3.559 -6.822 -10.480 1.00 0.00 C ATOM 725 OE1 GLU A 46 3.090 -7.442 -9.541 1.00 0.00 O ATOM 726 OE2 GLU A 46 4.752 -6.622 -10.638 1.00 0.00 O ATOM 0 H GLU A 46 -1.262 -5.314 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 46 1.563 -5.841 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.009 -7.548 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.460 -6.266 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.764 -6.736 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.770 -5.191 -11.661 1.00 0.00 H new ATOM 733 N VAL A 47 1.949 -3.461 -9.732 1.00 0.00 N ATOM 734 CA VAL A 47 2.113 -2.020 -10.076 1.00 0.00 C ATOM 735 C VAL A 47 3.063 -1.884 -11.267 1.00 0.00 C ATOM 736 O VAL A 47 4.154 -2.418 -11.269 1.00 0.00 O ATOM 737 CB VAL A 47 2.692 -1.272 -8.874 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.318 0.208 -8.965 1.00 0.00 C ATOM 739 CG2 VAL A 47 2.120 -1.863 -7.583 1.00 0.00 C ATOM 0 H VAL A 47 2.648 -3.837 -9.091 1.00 0.00 H new ATOM 0 HA VAL A 47 1.143 -1.596 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 47 3.777 -1.373 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.731 0.741 -8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.724 0.630 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.233 0.310 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.532 -1.331 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.035 -1.762 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.386 -2.918 -7.517 1.00 0.00 H new ATOM 749 N PHE A 48 2.658 -1.171 -12.283 1.00 0.00 N ATOM 750 CA PHE A 48 3.538 -1.000 -13.473 1.00 0.00 C ATOM 751 C PHE A 48 3.952 0.467 -13.594 1.00 0.00 C ATOM 752 O PHE A 48 3.270 1.356 -13.123 1.00 0.00 O ATOM 753 CB PHE A 48 2.779 -1.422 -14.732 1.00 0.00 C ATOM 754 CG PHE A 48 2.385 -2.875 -14.619 1.00 0.00 C ATOM 755 CD1 PHE A 48 1.163 -3.226 -14.033 1.00 0.00 C ATOM 756 CD2 PHE A 48 3.240 -3.873 -15.102 1.00 0.00 C ATOM 757 CE1 PHE A 48 0.796 -4.572 -13.928 1.00 0.00 C ATOM 758 CE2 PHE A 48 2.875 -5.220 -14.998 1.00 0.00 C ATOM 759 CZ PHE A 48 1.653 -5.570 -14.411 1.00 0.00 C ATOM 0 H PHE A 48 1.755 -0.700 -12.340 1.00 0.00 H new ATOM 0 HA PHE A 48 4.427 -1.620 -13.360 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.891 -0.802 -14.859 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.402 -1.271 -15.613 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.503 -2.457 -13.661 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.182 -3.603 -15.555 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.147 -4.842 -13.475 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.536 -5.989 -15.370 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.371 -6.609 -14.330 1.00 0.00 H new ATOM 769 N THR A 49 5.064 0.730 -14.224 1.00 0.00 N ATOM 770 CA THR A 49 5.521 2.140 -14.376 1.00 0.00 C ATOM 771 C THR A 49 5.912 2.395 -15.834 1.00 0.00 C ATOM 772 O THR A 49 6.313 1.495 -16.544 1.00 0.00 O ATOM 773 CB THR A 49 6.731 2.384 -13.472 1.00 0.00 C ATOM 774 OG1 THR A 49 7.924 2.124 -14.200 1.00 0.00 O ATOM 775 CG2 THR A 49 6.661 1.456 -12.259 1.00 0.00 C ATOM 0 H THR A 49 5.676 0.029 -14.640 1.00 0.00 H new ATOM 0 HA THR A 49 4.714 2.816 -14.093 1.00 0.00 H new ATOM 0 HB THR A 49 6.728 3.420 -13.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.700 2.281 -13.623 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.524 1.631 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.746 1.655 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.663 0.419 -12.594 1.00 0.00 H new ATOM 783 N PRO A 50 5.793 3.619 -16.270 1.00 0.00 N ATOM 784 CA PRO A 50 6.137 4.015 -17.666 1.00 0.00 C ATOM 785 C PRO A 50 7.646 3.973 -17.924 1.00 0.00 C ATOM 786 O PRO A 50 8.420 4.627 -17.252 1.00 0.00 O ATOM 787 CB PRO A 50 5.615 5.449 -17.783 1.00 0.00 C ATOM 788 CG PRO A 50 5.553 5.968 -16.384 1.00 0.00 C ATOM 789 CD PRO A 50 5.318 4.761 -15.475 1.00 0.00 C ATOM 0 HA PRO A 50 5.700 3.334 -18.397 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.277 6.058 -18.398 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.632 5.471 -18.254 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.480 6.477 -16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.748 6.695 -16.277 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.869 4.853 -14.539 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.265 4.656 -15.215 1.00 0.00 H new ATOM 911 N LEU A 60 5.902 -1.035 -20.773 1.00 0.00 N ATOM 912 CA LEU A 60 6.052 -0.386 -19.440 1.00 0.00 C ATOM 913 C LEU A 60 7.155 -1.091 -18.649 1.00 0.00 C ATOM 914 O LEU A 60 7.838 -1.959 -19.156 1.00 0.00 O ATOM 915 CB LEU A 60 4.731 -0.486 -18.674 1.00 0.00 C ATOM 916 CG LEU A 60 3.571 -0.138 -19.607 1.00 0.00 C ATOM 917 CD1 LEU A 60 2.253 -0.206 -18.833 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.765 1.277 -20.157 1.00 0.00 C ATOM 0 HA LEU A 60 6.317 0.663 -19.574 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.603 -1.494 -18.279 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.741 0.192 -17.821 1.00 0.00 H new ATOM 0 HG LEU A 60 3.545 -0.850 -20.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.427 0.042 -19.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.113 -1.213 -18.441 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.279 0.505 -18.007 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.938 1.525 -20.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.792 1.988 -19.331 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.703 1.327 -20.710 1.00 0.00 H new ATOM 930 N GLY A 61 7.334 -0.727 -17.409 1.00 0.00 N ATOM 931 CA GLY A 61 8.392 -1.378 -16.586 1.00 0.00 C ATOM 932 C GLY A 61 7.764 -1.988 -15.332 1.00 0.00 C ATOM 933 O GLY A 61 7.279 -1.288 -14.466 1.00 0.00 O ATOM 0 H GLY A 61 6.793 -0.007 -16.930 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.894 -2.152 -17.167 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.151 -0.647 -16.306 1.00 0.00 H new ATOM 937 N ALA A 62 7.770 -3.289 -15.227 1.00 0.00 N ATOM 938 CA ALA A 62 7.173 -3.942 -14.028 1.00 0.00 C ATOM 939 C ALA A 62 7.771 -3.328 -12.761 1.00 0.00 C ATOM 940 O ALA A 62 8.938 -3.498 -12.469 1.00 0.00 O ATOM 941 CB ALA A 62 7.476 -5.441 -14.060 1.00 0.00 C ATOM 0 H ALA A 62 8.162 -3.927 -15.919 1.00 0.00 H new ATOM 0 HA ALA A 62 6.094 -3.789 -14.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.040 -5.919 -13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.050 -5.879 -14.962 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.555 -5.594 -14.057 1.00 0.00 H new ATOM 947 N ALA A 63 6.981 -2.613 -12.007 1.00 0.00 N ATOM 948 CA ALA A 63 7.506 -1.988 -10.760 1.00 0.00 C ATOM 949 C ALA A 63 7.898 -3.084 -9.767 1.00 0.00 C ATOM 950 O ALA A 63 7.139 -3.993 -9.498 1.00 0.00 O ATOM 951 CB ALA A 63 6.425 -1.100 -10.141 1.00 0.00 C ATOM 0 H ALA A 63 5.996 -2.435 -12.201 1.00 0.00 H new ATOM 0 HA ALA A 63 8.381 -1.383 -10.997 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.808 -0.643 -9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.146 -0.320 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.550 -1.704 -9.904 1.00 0.00 H new ATOM 957 N SER A 64 9.080 -3.004 -9.217 1.00 0.00 N ATOM 958 CA SER A 64 9.519 -4.041 -8.241 1.00 0.00 C ATOM 959 C SER A 64 9.186 -3.578 -6.821 1.00 0.00 C ATOM 960 O SER A 64 9.341 -2.422 -6.482 1.00 0.00 O ATOM 961 CB SER A 64 11.028 -4.252 -8.367 1.00 0.00 C ATOM 962 OG SER A 64 11.318 -4.818 -9.639 1.00 0.00 O ATOM 0 H SER A 64 9.759 -2.266 -9.402 1.00 0.00 H new ATOM 0 HA SER A 64 9.002 -4.978 -8.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.551 -3.303 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.382 -4.910 -7.574 1.00 0.00 H new ATOM 0 HG SER A 64 12.285 -4.953 -9.724 1.00 0.00 H new ATOM 968 N LYS A 65 8.728 -4.471 -5.988 1.00 0.00 N ATOM 969 CA LYS A 65 8.384 -4.081 -4.590 1.00 0.00 C ATOM 970 C LYS A 65 9.451 -3.126 -4.051 1.00 0.00 C ATOM 971 O LYS A 65 9.188 -2.306 -3.194 1.00 0.00 O ATOM 972 CB LYS A 65 8.327 -5.332 -3.711 1.00 0.00 C ATOM 973 CG LYS A 65 6.995 -6.052 -3.934 1.00 0.00 C ATOM 974 CD LYS A 65 7.072 -7.463 -3.347 1.00 0.00 C ATOM 975 CE LYS A 65 5.846 -8.265 -3.784 1.00 0.00 C ATOM 976 NZ LYS A 65 6.272 -9.626 -4.219 1.00 0.00 N ATOM 0 H LYS A 65 8.577 -5.454 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 65 7.413 -3.585 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.157 -5.997 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.433 -5.057 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.185 -5.495 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.770 -6.102 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.983 -7.959 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.119 -7.414 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.135 -8.340 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.336 -7.754 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.438 -10.172 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.935 -9.544 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.740 -10.112 -3.428 1.00 0.00 H new ATOM 990 N ALA A 66 10.655 -3.226 -4.547 1.00 0.00 N ATOM 991 CA ALA A 66 11.737 -2.324 -4.062 1.00 0.00 C ATOM 992 C ALA A 66 11.362 -0.870 -4.361 1.00 0.00 C ATOM 993 O ALA A 66 11.596 0.018 -3.566 1.00 0.00 O ATOM 994 CB ALA A 66 13.046 -2.669 -4.773 1.00 0.00 C ATOM 0 H ALA A 66 10.935 -3.893 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 66 11.863 -2.453 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.838 -2.009 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.314 -3.704 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.921 -2.540 -5.848 1.00 0.00 H new ATOM 1000 N GLN A 67 10.780 -0.622 -5.503 1.00 0.00 N ATOM 1001 CA GLN A 67 10.390 0.773 -5.852 1.00 0.00 C ATOM 1002 C GLN A 67 9.131 1.161 -5.075 1.00 0.00 C ATOM 1003 O GLN A 67 9.118 2.123 -4.333 1.00 0.00 O ATOM 1004 CB GLN A 67 10.112 0.864 -7.354 1.00 0.00 C ATOM 1005 CG GLN A 67 10.188 2.326 -7.800 1.00 0.00 C ATOM 1006 CD GLN A 67 11.473 2.550 -8.599 1.00 0.00 C ATOM 1007 OE1 GLN A 67 11.449 2.590 -9.813 1.00 0.00 O ATOM 1008 NE2 GLN A 67 12.604 2.698 -7.965 1.00 0.00 N ATOM 0 H GLN A 67 10.558 -1.325 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 67 11.201 1.453 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.838 0.266 -7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.127 0.455 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.320 2.577 -8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.168 2.984 -6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.625 2.665 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.467 2.847 -8.489 1.00 0.00 H new ATOM 1017 N VAL A 68 8.069 0.419 -5.239 1.00 0.00 N ATOM 1018 CA VAL A 68 6.811 0.746 -4.510 1.00 0.00 C ATOM 1019 C VAL A 68 7.107 0.863 -3.013 1.00 0.00 C ATOM 1020 O VAL A 68 6.402 1.531 -2.282 1.00 0.00 O ATOM 1021 CB VAL A 68 5.784 -0.363 -4.742 1.00 0.00 C ATOM 1022 CG1 VAL A 68 4.401 0.123 -4.306 1.00 0.00 C ATOM 1023 CG2 VAL A 68 5.751 -0.724 -6.229 1.00 0.00 C ATOM 0 H VAL A 68 8.019 -0.399 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 68 6.412 1.692 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 68 6.061 -1.242 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.669 -0.667 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.423 0.381 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.124 1.002 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.019 -1.515 -6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.474 0.155 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.736 -1.070 -6.541 1.00 0.00 H new ATOM 1033 N GLU A 69 8.144 0.219 -2.552 1.00 0.00 N ATOM 1034 CA GLU A 69 8.483 0.295 -1.103 1.00 0.00 C ATOM 1035 C GLU A 69 8.961 1.708 -0.765 1.00 0.00 C ATOM 1036 O GLU A 69 8.551 2.295 0.216 1.00 0.00 O ATOM 1037 CB GLU A 69 9.593 -0.710 -0.785 1.00 0.00 C ATOM 1038 CG GLU A 69 8.970 -2.054 -0.403 1.00 0.00 C ATOM 1039 CD GLU A 69 10.071 -3.112 -0.292 1.00 0.00 C ATOM 1040 OE1 GLU A 69 10.995 -2.899 0.475 1.00 0.00 O ATOM 1041 OE2 GLU A 69 9.968 -4.118 -0.976 1.00 0.00 O ATOM 0 H GLU A 69 8.770 -0.356 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 69 7.599 0.059 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.246 -0.832 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.212 -0.338 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.439 -1.965 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.237 -2.353 -1.152 1.00 0.00 H new ATOM 1048 N ASN A 70 9.827 2.260 -1.570 1.00 0.00 N ATOM 1049 CA ASN A 70 10.330 3.635 -1.295 1.00 0.00 C ATOM 1050 C ASN A 70 9.143 4.579 -1.091 1.00 0.00 C ATOM 1051 O ASN A 70 9.274 5.642 -0.516 1.00 0.00 O ATOM 1052 CB ASN A 70 11.169 4.120 -2.480 1.00 0.00 C ATOM 1053 CG ASN A 70 12.655 3.965 -2.150 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.148 2.863 -2.015 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.394 5.032 -2.014 1.00 0.00 N ATOM 0 H ASN A 70 10.208 1.818 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 70 10.946 3.623 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.922 3.546 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.941 5.163 -2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.386 4.941 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.980 5.957 -2.127 1.00 0.00 H new ATOM 1062 N GLU A 71 7.985 4.200 -1.557 1.00 0.00 N ATOM 1063 CA GLU A 71 6.791 5.075 -1.389 1.00 0.00 C ATOM 1064 C GLU A 71 6.107 4.753 -0.060 1.00 0.00 C ATOM 1065 O GLU A 71 5.854 5.627 0.747 1.00 0.00 O ATOM 1066 CB GLU A 71 5.813 4.827 -2.540 1.00 0.00 C ATOM 1067 CG GLU A 71 5.263 6.165 -3.040 1.00 0.00 C ATOM 1068 CD GLU A 71 4.409 6.807 -1.945 1.00 0.00 C ATOM 1069 OE1 GLU A 71 3.580 6.110 -1.382 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.597 7.985 -1.688 1.00 0.00 O ATOM 0 H GLU A 71 7.814 3.322 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 71 7.101 6.120 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.316 4.302 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.996 4.188 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.084 6.829 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.666 6.012 -3.939 1.00 0.00 H new ATOM 1077 N PHE A 72 5.804 3.506 0.176 1.00 0.00 N ATOM 1078 CA PHE A 72 5.137 3.130 1.455 1.00 0.00 C ATOM 1079 C PHE A 72 6.060 2.214 2.261 1.00 0.00 C ATOM 1080 O PHE A 72 5.613 1.348 2.986 1.00 0.00 O ATOM 1081 CB PHE A 72 3.830 2.396 1.150 1.00 0.00 C ATOM 1082 CG PHE A 72 2.981 3.239 0.229 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.203 4.278 0.751 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.973 2.982 -1.147 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.416 5.061 -0.103 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.186 3.765 -2.001 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.408 4.804 -1.479 1.00 0.00 C ATOM 0 H PHE A 72 5.989 2.731 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 72 4.923 4.029 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.042 1.432 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.290 2.193 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.209 4.476 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.574 2.180 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.815 5.863 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.180 3.567 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.801 5.408 -2.138 1.00 0.00 H new ATOM 1097 N GLY A 73 7.347 2.399 2.142 1.00 0.00 N ATOM 1098 CA GLY A 73 8.297 1.538 2.902 1.00 0.00 C ATOM 1099 C GLY A 73 7.885 0.072 2.760 1.00 0.00 C ATOM 1100 O GLY A 73 7.160 -0.294 1.857 1.00 0.00 O ATOM 0 H GLY A 73 7.781 3.109 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.311 1.679 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.302 1.825 3.954 1.00 0.00 H new ATOM 1104 N LYS A 74 8.340 -0.770 3.647 1.00 0.00 N ATOM 1105 CA LYS A 74 7.974 -2.212 3.562 1.00 0.00 C ATOM 1106 C LYS A 74 7.233 -2.625 4.835 1.00 0.00 C ATOM 1107 O LYS A 74 7.293 -3.762 5.259 1.00 0.00 O ATOM 1108 CB LYS A 74 9.245 -3.053 3.415 1.00 0.00 C ATOM 1109 CG LYS A 74 10.471 -2.176 3.680 1.00 0.00 C ATOM 1110 CD LYS A 74 11.691 -3.066 3.924 1.00 0.00 C ATOM 1111 CE LYS A 74 12.947 -2.198 4.004 1.00 0.00 C ATOM 1112 NZ LYS A 74 13.241 -1.623 2.660 1.00 0.00 N ATOM 0 H LYS A 74 8.949 -0.522 4.427 1.00 0.00 H new ATOM 0 HA LYS A 74 7.330 -2.374 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.224 -3.888 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.299 -3.478 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.652 -1.518 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.294 -1.537 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.565 -3.628 4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.790 -3.794 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.803 -1.398 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.792 -2.794 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.208 -1.881 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.564 -1.999 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.157 -0.587 2.700 1.00 0.00 H new ATOM 1126 N GLY A 75 6.532 -1.710 5.448 1.00 0.00 N ATOM 1127 CA GLY A 75 5.787 -2.052 6.693 1.00 0.00 C ATOM 1128 C GLY A 75 4.371 -2.503 6.333 1.00 0.00 C ATOM 1129 O GLY A 75 3.788 -3.341 6.994 1.00 0.00 O ATOM 0 H GLY A 75 6.443 -0.741 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.306 -2.844 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.747 -1.187 7.355 1.00 0.00 H new ATOM 1133 N LYS A 76 3.810 -1.956 5.289 1.00 0.00 N ATOM 1134 CA LYS A 76 2.431 -2.354 4.889 1.00 0.00 C ATOM 1135 C LYS A 76 2.506 -3.387 3.764 1.00 0.00 C ATOM 1136 O LYS A 76 3.476 -3.455 3.033 1.00 0.00 O ATOM 1137 CB LYS A 76 1.666 -1.122 4.401 1.00 0.00 C ATOM 1138 CG LYS A 76 1.538 -0.114 5.544 1.00 0.00 C ATOM 1139 CD LYS A 76 0.663 1.058 5.097 1.00 0.00 C ATOM 1140 CE LYS A 76 -0.162 1.562 6.282 1.00 0.00 C ATOM 1141 NZ LYS A 76 -1.302 0.632 6.524 1.00 0.00 N ATOM 0 H LYS A 76 4.247 -1.251 4.696 1.00 0.00 H new ATOM 0 HA LYS A 76 1.914 -2.786 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.187 -0.668 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.677 -1.412 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.101 -0.595 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.524 0.246 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.286 1.862 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.003 0.745 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.463 1.628 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.534 2.566 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.161 1.182 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.458 0.047 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.083 0.018 7.335 1.00 0.00 H new ATOM 1155 N LYS A 77 1.491 -4.194 3.617 1.00 0.00 N ATOM 1156 CA LYS A 77 1.507 -5.223 2.540 1.00 0.00 C ATOM 1157 C LYS A 77 1.054 -4.589 1.223 1.00 0.00 C ATOM 1158 O LYS A 77 0.791 -3.405 1.151 1.00 0.00 O ATOM 1159 CB LYS A 77 0.556 -6.363 2.910 1.00 0.00 C ATOM 1160 CG LYS A 77 1.364 -7.547 3.447 1.00 0.00 C ATOM 1161 CD LYS A 77 1.793 -8.443 2.283 1.00 0.00 C ATOM 1162 CE LYS A 77 2.867 -9.421 2.761 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.098 -8.667 3.128 1.00 0.00 N ATOM 0 H LYS A 77 0.652 -4.185 4.196 1.00 0.00 H new ATOM 0 HA LYS A 77 2.518 -5.615 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.158 -6.026 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.020 -6.668 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.241 -7.188 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.765 -8.117 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.934 -8.991 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.178 -7.835 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.504 -9.985 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.091 -10.144 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.932 -9.270 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.174 -7.816 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.049 -8.388 4.129 1.00 0.00 H new ATOM 1177 N ILE A 78 0.963 -5.368 0.180 1.00 0.00 N ATOM 1178 CA ILE A 78 0.529 -4.809 -1.132 1.00 0.00 C ATOM 1179 C ILE A 78 -0.969 -4.504 -1.086 1.00 0.00 C ATOM 1180 O ILE A 78 -1.494 -3.795 -1.921 1.00 0.00 O ATOM 1181 CB ILE A 78 0.808 -5.831 -2.237 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.534 -5.193 -3.602 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.104 -7.045 -2.051 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.856 -4.983 -4.341 1.00 0.00 C ATOM 0 H ILE A 78 1.170 -6.367 0.179 1.00 0.00 H new ATOM 0 HA ILE A 78 1.080 -3.891 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 78 1.850 -6.147 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.125 -5.833 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.021 -4.240 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.094 -7.773 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.089 -7.499 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.146 -6.729 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.662 -4.529 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.500 -4.326 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.351 -5.944 -4.482 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.663 -5.035 -0.116 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.127 -4.774 -0.018 1.00 0.00 C ATOM 1198 C GLU A 79 -3.360 -3.339 0.458 1.00 0.00 C ATOM 1199 O GLU A 79 -3.801 -2.490 -0.291 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.753 -5.751 0.980 1.00 0.00 C ATOM 1201 CG GLU A 79 -2.646 -6.473 1.751 1.00 0.00 C ATOM 1202 CD GLU A 79 -3.272 -7.378 2.814 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -4.471 -7.592 2.751 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -2.541 -7.842 3.674 1.00 0.00 O ATOM 0 H GLU A 79 -1.280 -5.638 0.612 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.586 -4.910 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.402 -5.214 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.376 -6.475 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.038 -7.065 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.982 -5.747 2.221 1.00 0.00 H new ATOM 1211 N GLU A 80 -3.067 -3.061 1.700 1.00 0.00 N ATOM 1212 CA GLU A 80 -3.272 -1.681 2.222 1.00 0.00 C ATOM 1213 C GLU A 80 -2.568 -0.677 1.306 1.00 0.00 C ATOM 1214 O GLU A 80 -3.042 0.420 1.091 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.690 -1.578 3.634 1.00 0.00 C ATOM 1216 CG GLU A 80 -3.816 -1.722 4.661 1.00 0.00 C ATOM 1217 CD GLU A 80 -4.738 -0.504 4.582 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -4.238 0.602 4.698 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -5.930 -0.700 4.407 1.00 0.00 O ATOM 0 H GLU A 80 -2.695 -3.730 2.374 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.339 -1.459 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.941 -2.355 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.186 -0.620 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.383 -2.633 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.399 -1.811 5.664 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.438 -1.045 0.765 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.706 -0.111 -0.135 1.00 0.00 C ATOM 1228 C VAL A 81 -1.623 0.314 -1.284 1.00 0.00 C ATOM 1229 O VAL A 81 -1.974 1.469 -1.416 1.00 0.00 O ATOM 1230 CB VAL A 81 0.529 -0.814 -0.702 1.00 0.00 C ATOM 1231 CG1 VAL A 81 0.930 -0.158 -2.025 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.684 -0.695 0.295 1.00 0.00 C ATOM 0 H VAL A 81 -0.991 -1.951 0.908 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.397 0.770 0.428 1.00 0.00 H new ATOM 0 HB VAL A 81 0.301 -1.866 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.810 -0.660 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.108 -0.241 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.158 0.894 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.565 -1.195 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.911 0.357 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.400 -1.162 1.238 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.015 -0.612 -2.116 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.909 -0.259 -3.255 1.00 0.00 C ATOM 1244 C ILE A 82 -4.082 0.578 -2.742 1.00 0.00 C ATOM 1245 O ILE A 82 -4.601 1.428 -3.438 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.441 -1.540 -3.901 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.306 -2.241 -4.652 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.560 -1.192 -4.883 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.600 -3.739 -4.742 1.00 0.00 C ATOM 0 H ILE A 82 -1.755 -1.597 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.348 0.315 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.830 -2.201 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.203 -1.819 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.359 -2.076 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.938 -2.105 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.369 -0.692 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.172 -0.530 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.791 -4.237 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.681 -4.155 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.538 -3.894 -5.276 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.506 0.344 -1.530 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.645 1.127 -0.975 1.00 0.00 C ATOM 1263 C ASP A 83 -5.288 2.615 -0.971 1.00 0.00 C ATOM 1264 O ASP A 83 -5.784 3.385 -1.769 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.932 0.665 0.456 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.338 0.066 0.530 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -8.271 0.819 0.756 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.460 -1.136 0.359 1.00 0.00 O ATOM 0 H ASP A 83 -4.113 -0.356 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.530 0.969 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.194 -0.075 0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.847 1.506 1.144 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.430 3.026 -0.076 1.00 0.00 N ATOM 1274 CA LEU A 84 -4.040 4.463 -0.020 1.00 0.00 C ATOM 1275 C LEU A 84 -3.990 5.034 -1.438 1.00 0.00 C ATOM 1276 O LEU A 84 -4.466 6.123 -1.696 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.662 4.593 0.633 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.595 3.690 1.865 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -1.333 4.014 2.668 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.829 3.929 2.739 1.00 0.00 C ATOM 0 H LEU A 84 -3.983 2.428 0.619 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.773 5.016 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.883 4.315 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.479 5.629 0.918 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.567 2.647 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.285 3.370 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.453 3.846 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.360 5.057 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.783 3.286 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.855 4.972 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.729 3.699 2.168 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.416 4.312 -2.360 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.336 4.815 -3.760 1.00 0.00 C ATOM 1294 C ILE A 85 -4.750 5.033 -4.304 1.00 0.00 C ATOM 1295 O ILE A 85 -4.988 5.915 -5.105 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.606 3.790 -4.630 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.095 4.010 -4.516 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.035 3.958 -6.088 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.370 2.677 -4.704 1.00 0.00 C ATOM 0 H ILE A 85 -2.998 3.394 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.790 5.758 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.855 2.784 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.763 4.726 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.851 4.435 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.514 3.227 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.111 3.803 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.786 4.964 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.706 2.833 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.694 1.975 -3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.604 2.271 -5.688 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.690 4.236 -3.875 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.087 4.399 -4.368 1.00 0.00 C ATOM 1313 C LEU A 86 -7.699 5.662 -3.759 1.00 0.00 C ATOM 1314 O LEU A 86 -8.659 6.205 -4.267 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.917 3.180 -3.956 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.695 2.048 -4.960 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.386 0.779 -4.460 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.283 2.447 -6.315 1.00 0.00 C ATOM 0 H LEU A 86 -5.551 3.480 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.082 4.486 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.632 2.854 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.974 3.443 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.626 1.862 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.228 -0.028 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.969 0.494 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.455 0.965 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.125 1.641 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.352 2.633 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.791 3.352 -6.673 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.150 6.134 -2.673 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.701 7.362 -2.033 1.00 0.00 C ATOM 1332 C ARG A 87 -7.037 8.598 -2.644 1.00 0.00 C ATOM 1333 O ARG A 87 -7.375 9.719 -2.322 1.00 0.00 O ATOM 1334 CB ARG A 87 -7.420 7.324 -0.529 1.00 0.00 C ATOM 1335 CG ARG A 87 -8.317 6.268 0.130 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.684 4.879 -0.006 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.453 4.282 1.348 1.00 0.00 N ATOM 1338 CZ ARG A 87 -6.908 4.977 2.313 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -6.484 6.193 2.099 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -6.767 4.443 3.496 1.00 0.00 N ATOM 0 H ARG A 87 -6.344 5.723 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.777 7.407 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.371 7.089 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.607 8.303 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.461 6.509 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.302 6.274 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.335 4.230 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.740 4.953 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.726 3.315 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.576 6.610 1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.061 6.726 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.081 3.487 3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.343 4.981 4.251 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.095 8.402 -3.525 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.411 9.566 -4.156 1.00 0.00 C ATOM 1356 C ASN A 88 -5.744 9.606 -5.649 1.00 0.00 C ATOM 1357 O ASN A 88 -6.672 10.268 -6.070 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.898 9.429 -3.974 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.551 9.535 -2.488 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.631 8.562 -1.763 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.164 10.682 -2.001 1.00 0.00 N ATOM 0 H ASN A 88 -5.769 7.487 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.752 10.487 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.559 8.472 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.382 10.208 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.928 10.763 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.097 11.498 -2.609 1.00 0.00 H new ATOM 1368 N GLY A 89 -4.993 8.905 -6.453 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.266 8.904 -7.917 1.00 0.00 C ATOM 1370 C GLY A 89 -4.981 10.293 -8.491 1.00 0.00 C ATOM 1371 O GLY A 89 -5.556 11.278 -8.074 1.00 0.00 O ATOM 0 H GLY A 89 -4.202 8.333 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.644 8.159 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.304 8.628 -8.104 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.095 10.381 -9.445 1.00 0.00 N ATOM 1376 CA LYS A 90 -3.773 11.707 -10.042 1.00 0.00 C ATOM 1377 C LYS A 90 -3.725 12.765 -8.938 1.00 0.00 C ATOM 1378 O LYS A 90 -4.461 13.731 -8.959 1.00 0.00 O ATOM 1379 CB LYS A 90 -4.852 12.083 -11.061 1.00 0.00 C ATOM 1380 CG LYS A 90 -4.396 13.304 -11.862 1.00 0.00 C ATOM 1381 CD LYS A 90 -3.756 12.844 -13.174 1.00 0.00 C ATOM 1382 CE LYS A 90 -3.555 14.050 -14.094 1.00 0.00 C ATOM 1383 NZ LYS A 90 -3.770 15.306 -13.321 1.00 0.00 N ATOM 0 H LYS A 90 -3.581 9.592 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.804 11.656 -10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.041 11.245 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.790 12.300 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.246 13.955 -12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.681 13.887 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.799 12.362 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.391 12.104 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.549 14.037 -14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.251 14.002 -14.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.409 16.115 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.787 15.435 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.265 15.246 -12.414 1.00 0.00 H new