USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 39 HIS : no HE2:sc= -3.22 X(o=-4.1,f=-3.7!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.843 X(o=-4.1,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.12 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -164:sc= 0 (180deg=-0.0377) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -75:sc= 1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -80:sc= 0.272 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 157:sc= -2.49! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= -0.0219 (180deg=-0.297) USER MOD Single : A 45 SER OG : rot 180:sc= 0.104 USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0803 (180deg=-0.419) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0341 (180deg=-0.227) USER MOD Single : A 56 SER OG : rot 1:sc= 0.637 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 63 SER OG : rot 147:sc= 0.326 USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0357) USER MOD Single : A 71 TYR OH : rot 15:sc= 0.655 USER MOD Single : A 73 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.246 0.079 -10.213 1.00 0.00 N ATOM 2 CA GLY A 1 16.182 -0.039 -11.231 1.00 0.00 C ATOM 3 C GLY A 1 14.841 0.386 -10.689 1.00 0.00 C ATOM 4 O GLY A 1 14.743 0.826 -9.544 1.00 0.00 O ATOM 0 H1 GLY A 1 17.967 0.752 -10.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.836 0.419 -9.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.685 -0.851 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.436 0.575 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.124 -1.071 -11.578 1.00 0.00 H new ATOM 10 N GLU A 2 13.808 0.267 -11.503 1.00 0.00 N ATOM 11 CA GLU A 2 12.470 0.635 -11.081 1.00 0.00 C ATOM 12 C GLU A 2 11.865 -0.478 -10.246 1.00 0.00 C ATOM 13 O GLU A 2 12.262 -1.641 -10.369 1.00 0.00 O ATOM 14 CB GLU A 2 11.576 0.933 -12.291 1.00 0.00 C ATOM 15 CG GLU A 2 11.303 -0.273 -13.178 1.00 0.00 C ATOM 16 CD GLU A 2 10.453 0.071 -14.379 1.00 0.00 C ATOM 17 OE1 GLU A 2 9.218 -0.126 -14.318 1.00 0.00 O ATOM 18 OE2 GLU A 2 11.014 0.544 -15.390 1.00 0.00 O ATOM 0 H GLU A 2 13.870 -0.082 -12.460 1.00 0.00 H new ATOM 0 HA GLU A 2 12.538 1.540 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.625 1.332 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.045 1.713 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.250 -0.693 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.803 -1.045 -12.592 1.00 0.00 H new ATOM 25 N PHE A 3 10.916 -0.130 -9.401 1.00 0.00 N ATOM 26 CA PHE A 3 10.244 -1.111 -8.566 1.00 0.00 C ATOM 27 C PHE A 3 9.408 -2.042 -9.433 1.00 0.00 C ATOM 28 O PHE A 3 9.304 -3.240 -9.168 1.00 0.00 O ATOM 29 CB PHE A 3 9.356 -0.418 -7.529 1.00 0.00 C ATOM 30 CG PHE A 3 10.120 0.399 -6.524 1.00 0.00 C ATOM 31 CD1 PHE A 3 10.371 1.742 -6.750 1.00 0.00 C ATOM 32 CD2 PHE A 3 10.584 -0.177 -5.353 1.00 0.00 C ATOM 33 CE1 PHE A 3 11.070 2.495 -5.829 1.00 0.00 C ATOM 34 CE2 PHE A 3 11.284 0.572 -4.427 1.00 0.00 C ATOM 35 CZ PHE A 3 11.527 1.910 -4.665 1.00 0.00 C ATOM 0 H PHE A 3 10.590 0.828 -9.272 1.00 0.00 H new ATOM 0 HA PHE A 3 10.998 -1.695 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.647 0.229 -8.046 1.00 0.00 H new ATOM 0 HB3 PHE A 3 8.773 -1.173 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.015 2.206 -7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 3 10.396 -1.223 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.259 3.541 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.641 0.111 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.073 2.498 -3.942 1.00 0.00 H new ATOM 45 N GLY A 4 8.834 -1.479 -10.475 1.00 0.00 N ATOM 46 CA GLY A 4 7.996 -2.232 -11.371 1.00 0.00 C ATOM 47 C GLY A 4 6.560 -1.836 -11.203 1.00 0.00 C ATOM 48 O GLY A 4 5.884 -1.476 -12.166 1.00 0.00 O ATOM 0 H GLY A 4 8.936 -0.494 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.309 -2.061 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.111 -3.298 -11.176 1.00 0.00 H new ATOM 52 N SER A 5 6.089 -1.909 -9.981 1.00 0.00 N ATOM 53 CA SER A 5 4.754 -1.484 -9.651 1.00 0.00 C ATOM 54 C SER A 5 4.730 -0.889 -8.251 1.00 0.00 C ATOM 55 O SER A 5 5.477 -1.330 -7.370 1.00 0.00 O ATOM 56 CB SER A 5 3.780 -2.660 -9.753 1.00 0.00 C ATOM 57 OG SER A 5 3.778 -3.202 -11.068 1.00 0.00 O ATOM 0 H SER A 5 6.623 -2.265 -9.188 1.00 0.00 H new ATOM 0 HA SER A 5 4.441 -0.719 -10.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.060 -3.433 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.775 -2.330 -9.489 1.00 0.00 H new ATOM 0 HG SER A 5 3.150 -3.953 -11.111 1.00 0.00 H new ATOM 63 N MET A 6 3.892 0.102 -8.042 1.00 0.00 N ATOM 64 CA MET A 6 3.764 0.704 -6.730 1.00 0.00 C ATOM 65 C MET A 6 2.680 -0.012 -5.956 1.00 0.00 C ATOM 66 O MET A 6 1.503 0.078 -6.306 1.00 0.00 O ATOM 67 CB MET A 6 3.442 2.199 -6.843 1.00 0.00 C ATOM 68 CG MET A 6 3.241 2.893 -5.499 1.00 0.00 C ATOM 69 SD MET A 6 4.713 2.842 -4.455 1.00 0.00 S ATOM 70 CE MET A 6 4.089 3.607 -2.958 1.00 0.00 C ATOM 0 H MET A 6 3.291 0.508 -8.759 1.00 0.00 H new ATOM 0 HA MET A 6 4.712 0.607 -6.202 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.251 2.695 -7.379 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.540 2.322 -7.442 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.959 3.932 -5.671 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.412 2.421 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.925 3.908 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.496 4.484 -3.217 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.465 2.895 -2.418 1.00 0.00 H new ATOM 80 N VAL A 7 3.090 -0.724 -4.907 1.00 0.00 N ATOM 81 CA VAL A 7 2.181 -1.518 -4.083 1.00 0.00 C ATOM 82 C VAL A 7 1.542 -2.635 -4.914 1.00 0.00 C ATOM 83 O VAL A 7 0.546 -2.419 -5.614 1.00 0.00 O ATOM 84 CB VAL A 7 1.071 -0.658 -3.419 1.00 0.00 C ATOM 85 CG1 VAL A 7 0.233 -1.504 -2.479 1.00 0.00 C ATOM 86 CG2 VAL A 7 1.675 0.519 -2.668 1.00 0.00 C ATOM 0 H VAL A 7 4.063 -0.766 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 7 2.782 -1.951 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 7 0.427 -0.269 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.539 -0.885 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.235 -2.314 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.870 -1.922 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.879 1.107 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.345 0.150 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.235 1.145 -3.363 1.00 0.00 H new ATOM 96 N LYS A 8 2.149 -3.815 -4.866 1.00 0.00 N ATOM 97 CA LYS A 8 1.686 -4.994 -5.595 1.00 0.00 C ATOM 98 C LYS A 8 0.237 -5.345 -5.235 1.00 0.00 C ATOM 99 O LYS A 8 -0.244 -4.987 -4.157 1.00 0.00 O ATOM 100 CB LYS A 8 2.600 -6.175 -5.235 1.00 0.00 C ATOM 101 CG LYS A 8 2.450 -7.409 -6.112 1.00 0.00 C ATOM 102 CD LYS A 8 3.000 -7.169 -7.508 1.00 0.00 C ATOM 103 CE LYS A 8 2.946 -8.434 -8.344 1.00 0.00 C ATOM 104 NZ LYS A 8 3.524 -8.234 -9.695 1.00 0.00 N ATOM 0 H LYS A 8 2.989 -3.984 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 8 1.722 -4.783 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.636 -5.839 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.407 -6.460 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.972 -8.249 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.398 -7.685 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.426 -6.382 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.030 -6.818 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.488 -9.230 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.911 -8.762 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.467 -9.123 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.992 -7.493 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.519 -7.946 -9.608 1.00 0.00 H new ATOM 118 N GLU A 9 -0.447 -6.044 -6.153 1.00 0.00 N ATOM 119 CA GLU A 9 -1.822 -6.484 -5.928 1.00 0.00 C ATOM 120 C GLU A 9 -1.889 -7.265 -4.612 1.00 0.00 C ATOM 121 O GLU A 9 -0.915 -7.911 -4.244 1.00 0.00 O ATOM 122 CB GLU A 9 -2.338 -7.291 -7.121 1.00 0.00 C ATOM 123 CG GLU A 9 -3.834 -7.549 -7.088 1.00 0.00 C ATOM 124 CD GLU A 9 -4.392 -7.876 -8.452 1.00 0.00 C ATOM 125 OE1 GLU A 9 -5.257 -7.119 -8.938 1.00 0.00 O ATOM 126 OE2 GLU A 9 -3.958 -8.869 -9.058 1.00 0.00 O ATOM 0 H GLU A 9 -0.064 -6.315 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.480 -5.619 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.091 -6.760 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.815 -8.247 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.043 -8.373 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.343 -6.670 -6.691 1.00 0.00 H new ATOM 133 N THR A 10 -3.067 -7.232 -3.956 1.00 0.00 N ATOM 134 CA THR A 10 -3.242 -7.591 -2.525 1.00 0.00 C ATOM 135 C THR A 10 -2.699 -6.407 -1.752 1.00 0.00 C ATOM 136 O THR A 10 -2.101 -6.521 -0.683 1.00 0.00 O ATOM 137 CB THR A 10 -2.555 -8.946 -2.061 1.00 0.00 C ATOM 138 OG1 THR A 10 -1.128 -8.833 -1.981 1.00 0.00 O ATOM 139 CG2 THR A 10 -2.923 -10.091 -2.990 1.00 0.00 C ATOM 0 H THR A 10 -3.938 -6.952 -4.407 1.00 0.00 H new ATOM 0 HA THR A 10 -4.298 -7.789 -2.338 1.00 0.00 H new ATOM 0 HB THR A 10 -2.933 -9.157 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.748 -8.842 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.439 -11.006 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.004 -10.229 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.590 -9.860 -4.002 1.00 0.00 H new ATOM 147 N LYS A 11 -3.023 -5.246 -2.317 1.00 0.00 N ATOM 148 CA LYS A 11 -2.466 -3.961 -1.939 1.00 0.00 C ATOM 149 C LYS A 11 -2.689 -3.617 -0.489 1.00 0.00 C ATOM 150 O LYS A 11 -1.797 -3.120 0.157 1.00 0.00 O ATOM 151 CB LYS A 11 -3.079 -2.865 -2.791 1.00 0.00 C ATOM 152 CG LYS A 11 -2.713 -2.932 -4.263 1.00 0.00 C ATOM 153 CD LYS A 11 -3.466 -1.885 -5.074 1.00 0.00 C ATOM 154 CE LYS A 11 -3.059 -0.471 -4.684 1.00 0.00 C ATOM 155 NZ LYS A 11 -3.762 0.553 -5.497 1.00 0.00 N ATOM 0 H LYS A 11 -3.703 -5.178 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.391 -4.035 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.164 -2.913 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.767 -1.898 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.640 -2.781 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.939 -3.925 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.273 -2.039 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.538 -2.010 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.277 -0.309 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.982 -0.356 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.457 1.502 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.534 0.415 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.789 0.461 -5.359 1.00 0.00 H new ATOM 169 N PHE A 12 -3.856 -3.891 0.036 1.00 0.00 N ATOM 170 CA PHE A 12 -4.117 -3.545 1.414 1.00 0.00 C ATOM 171 C PHE A 12 -3.322 -4.417 2.368 1.00 0.00 C ATOM 172 O PHE A 12 -2.892 -3.954 3.429 1.00 0.00 O ATOM 173 CB PHE A 12 -5.604 -3.528 1.740 1.00 0.00 C ATOM 174 CG PHE A 12 -6.289 -2.270 1.265 1.00 0.00 C ATOM 175 CD1 PHE A 12 -7.444 -2.324 0.511 1.00 0.00 C ATOM 176 CD2 PHE A 12 -5.766 -1.027 1.587 1.00 0.00 C ATOM 177 CE1 PHE A 12 -8.068 -1.162 0.092 1.00 0.00 C ATOM 178 CE2 PHE A 12 -6.380 0.131 1.171 1.00 0.00 C ATOM 179 CZ PHE A 12 -7.532 0.067 0.427 1.00 0.00 C ATOM 0 H PHE A 12 -4.627 -4.343 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.770 -2.521 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.083 -4.393 1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.737 -3.625 2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.865 -3.283 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.862 -0.967 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.972 -1.216 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.956 1.090 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.019 0.976 0.104 1.00 0.00 H new ATOM 189 N TYR A 13 -3.100 -5.672 1.987 1.00 0.00 N ATOM 190 CA TYR A 13 -2.274 -6.545 2.795 1.00 0.00 C ATOM 191 C TYR A 13 -0.826 -6.068 2.692 1.00 0.00 C ATOM 192 O TYR A 13 -0.104 -5.997 3.685 1.00 0.00 O ATOM 193 CB TYR A 13 -2.366 -8.000 2.322 1.00 0.00 C ATOM 194 CG TYR A 13 -3.743 -8.633 2.422 1.00 0.00 C ATOM 195 CD1 TYR A 13 -4.476 -8.923 1.281 1.00 0.00 C ATOM 196 CD2 TYR A 13 -4.294 -8.965 3.653 1.00 0.00 C ATOM 197 CE1 TYR A 13 -5.713 -9.527 1.360 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.536 -9.564 3.740 1.00 0.00 C ATOM 199 CZ TYR A 13 -6.240 -9.844 2.589 1.00 0.00 C ATOM 200 OH TYR A 13 -7.470 -10.459 2.666 1.00 0.00 O ATOM 0 H TYR A 13 -3.476 -6.096 1.139 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.624 -6.507 3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.038 -8.048 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.667 -8.599 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.070 -8.671 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.743 -8.751 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.266 -9.750 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.953 -9.811 4.705 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.178 -9.789 2.562 1.00 0.00 H new ATOM 210 N ASP A 14 -0.433 -5.724 1.462 1.00 0.00 N ATOM 211 CA ASP A 14 0.911 -5.210 1.161 1.00 0.00 C ATOM 212 C ASP A 14 1.202 -3.940 1.948 1.00 0.00 C ATOM 213 O ASP A 14 2.263 -3.802 2.559 1.00 0.00 O ATOM 214 CB ASP A 14 1.020 -4.882 -0.338 1.00 0.00 C ATOM 215 CG ASP A 14 2.437 -4.519 -0.757 1.00 0.00 C ATOM 216 OD1 ASP A 14 3.288 -5.433 -0.858 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.710 -3.320 -0.997 1.00 0.00 O ATOM 0 H ASP A 14 -1.038 -5.793 0.643 1.00 0.00 H new ATOM 0 HA ASP A 14 1.630 -5.980 1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.682 -5.740 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.352 -4.054 -0.574 1.00 0.00 H new ATOM 222 N ILE A 15 0.250 -3.024 1.931 1.00 0.00 N ATOM 223 CA ILE A 15 0.380 -1.740 2.604 1.00 0.00 C ATOM 224 C ILE A 15 0.557 -1.900 4.115 1.00 0.00 C ATOM 225 O ILE A 15 1.462 -1.302 4.705 1.00 0.00 O ATOM 226 CB ILE A 15 -0.838 -0.830 2.286 1.00 0.00 C ATOM 227 CG1 ILE A 15 -0.785 -0.401 0.813 1.00 0.00 C ATOM 228 CG2 ILE A 15 -0.876 0.390 3.205 1.00 0.00 C ATOM 229 CD1 ILE A 15 -2.045 0.273 0.321 1.00 0.00 C ATOM 0 H ILE A 15 -0.640 -3.149 1.448 1.00 0.00 H new ATOM 0 HA ILE A 15 1.282 -1.263 2.222 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.752 -1.397 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.056 0.278 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.591 -1.279 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.740 1.006 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.950 0.062 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.035 0.973 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.926 0.545 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.888 -0.410 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.231 1.171 0.910 1.00 0.00 H new ATOM 241 N LEU A 16 -0.297 -2.696 4.737 1.00 0.00 N ATOM 242 CA LEU A 16 -0.160 -2.960 6.165 1.00 0.00 C ATOM 243 C LEU A 16 1.086 -3.794 6.491 1.00 0.00 C ATOM 244 O LEU A 16 1.650 -3.674 7.580 1.00 0.00 O ATOM 245 CB LEU A 16 -1.418 -3.618 6.750 1.00 0.00 C ATOM 246 CG LEU A 16 -2.683 -2.749 6.806 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.837 -3.546 7.382 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.439 -1.495 7.633 1.00 0.00 C ATOM 0 H LEU A 16 -1.082 -3.166 4.286 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.036 -1.987 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.642 -4.509 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.189 -3.953 7.762 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.938 -2.443 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.729 -2.921 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.028 -4.416 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.585 -3.875 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.348 -0.894 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.161 -1.777 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.633 -0.914 7.184 1.00 0.00 H new ATOM 260 N GLY A 17 1.531 -4.612 5.550 1.00 0.00 N ATOM 261 CA GLY A 17 2.678 -5.461 5.813 1.00 0.00 C ATOM 262 C GLY A 17 2.248 -6.778 6.416 1.00 0.00 C ATOM 263 O GLY A 17 3.023 -7.461 7.090 1.00 0.00 O ATOM 0 H GLY A 17 1.126 -4.705 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.222 -5.641 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.364 -4.953 6.491 1.00 0.00 H new ATOM 267 N VAL A 18 1.000 -7.112 6.178 1.00 0.00 N ATOM 268 CA VAL A 18 0.399 -8.334 6.678 1.00 0.00 C ATOM 269 C VAL A 18 0.226 -9.338 5.544 1.00 0.00 C ATOM 270 O VAL A 18 0.190 -8.953 4.369 1.00 0.00 O ATOM 271 CB VAL A 18 -0.976 -8.058 7.328 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.816 -7.184 8.546 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.929 -7.414 6.331 1.00 0.00 C ATOM 0 H VAL A 18 0.364 -6.538 5.625 1.00 0.00 H new ATOM 0 HA VAL A 18 1.067 -8.745 7.435 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.404 -9.012 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.793 -6.999 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.175 -7.685 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.364 -6.235 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.889 -7.230 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.510 -6.469 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.071 -8.081 5.481 1.00 0.00 H new ATOM 283 N PRO A 19 0.131 -10.638 5.864 1.00 0.00 N ATOM 284 CA PRO A 19 -0.080 -11.677 4.855 1.00 0.00 C ATOM 285 C PRO A 19 -1.468 -11.586 4.262 1.00 0.00 C ATOM 286 O PRO A 19 -2.342 -10.929 4.814 1.00 0.00 O ATOM 287 CB PRO A 19 0.041 -12.978 5.654 1.00 0.00 C ATOM 288 CG PRO A 19 -0.345 -12.591 7.030 1.00 0.00 C ATOM 289 CD PRO A 19 0.213 -11.211 7.227 1.00 0.00 C ATOM 0 HA PRO A 19 0.623 -11.597 4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.616 -13.752 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.056 -13.374 5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.428 -12.598 7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.062 -13.288 7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.371 -10.635 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.238 -11.236 7.596 1.00 0.00 H new ATOM 297 N VAL A 20 -1.674 -12.241 3.141 1.00 0.00 N ATOM 298 CA VAL A 20 -2.978 -12.297 2.514 1.00 0.00 C ATOM 299 C VAL A 20 -3.952 -12.993 3.477 1.00 0.00 C ATOM 300 O VAL A 20 -5.145 -12.701 3.516 1.00 0.00 O ATOM 301 CB VAL A 20 -2.913 -13.069 1.170 1.00 0.00 C ATOM 302 CG1 VAL A 20 -4.296 -13.235 0.559 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.981 -12.363 0.195 1.00 0.00 C ATOM 0 H VAL A 20 -0.946 -12.749 2.639 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.320 -11.285 2.299 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.517 -14.064 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.215 -13.780 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.933 -13.791 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.732 -12.253 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.947 -12.918 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.348 -11.354 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.980 -12.311 0.622 1.00 0.00 H new ATOM 313 N THR A 21 -3.406 -13.916 4.249 1.00 0.00 N ATOM 314 CA THR A 21 -4.164 -14.685 5.222 1.00 0.00 C ATOM 315 C THR A 21 -4.109 -14.006 6.614 1.00 0.00 C ATOM 316 O THR A 21 -4.215 -14.672 7.654 1.00 0.00 O ATOM 317 CB THR A 21 -3.572 -16.100 5.338 1.00 0.00 C ATOM 318 OG1 THR A 21 -3.115 -16.534 4.049 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.618 -17.080 5.847 1.00 0.00 C ATOM 0 H THR A 21 -2.415 -14.155 4.218 1.00 0.00 H new ATOM 0 HA THR A 21 -5.200 -14.737 4.887 1.00 0.00 H new ATOM 0 HB THR A 21 -2.741 -16.070 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.736 -17.435 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.179 -18.075 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.966 -16.762 6.830 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.460 -17.106 5.155 1.00 0.00 H new ATOM 327 N ALA A 22 -3.939 -12.687 6.623 1.00 0.00 N ATOM 328 CA ALA A 22 -3.819 -11.921 7.864 1.00 0.00 C ATOM 329 C ALA A 22 -5.047 -12.025 8.752 1.00 0.00 C ATOM 330 O ALA A 22 -6.178 -12.102 8.276 1.00 0.00 O ATOM 331 CB ALA A 22 -3.536 -10.465 7.560 1.00 0.00 C ATOM 0 H ALA A 22 -3.881 -12.120 5.777 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.986 -12.359 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.450 -9.909 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.603 -10.384 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.351 -10.052 6.966 1.00 0.00 H new ATOM 337 N THR A 23 -4.798 -12.021 10.043 1.00 0.00 N ATOM 338 CA THR A 23 -5.838 -12.072 11.047 1.00 0.00 C ATOM 339 C THR A 23 -6.042 -10.685 11.673 1.00 0.00 C ATOM 340 O THR A 23 -5.228 -9.784 11.452 1.00 0.00 O ATOM 341 CB THR A 23 -5.503 -13.120 12.126 1.00 0.00 C ATOM 342 OG1 THR A 23 -4.201 -12.857 12.680 1.00 0.00 O ATOM 343 CG2 THR A 23 -5.531 -14.525 11.539 1.00 0.00 C ATOM 0 H THR A 23 -3.855 -11.982 10.430 1.00 0.00 H new ATOM 0 HA THR A 23 -6.770 -12.372 10.567 1.00 0.00 H new ATOM 0 HB THR A 23 -6.254 -13.053 12.913 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.518 -12.997 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.292 -15.249 12.318 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.524 -14.734 11.142 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.797 -14.599 10.737 1.00 0.00 H new ATOM 351 N ASP A 24 -7.098 -10.530 12.482 1.00 0.00 N ATOM 352 CA ASP A 24 -7.482 -9.225 13.058 1.00 0.00 C ATOM 353 C ASP A 24 -6.333 -8.582 13.808 1.00 0.00 C ATOM 354 O ASP A 24 -6.086 -7.383 13.674 1.00 0.00 O ATOM 355 CB ASP A 24 -8.628 -9.405 14.063 1.00 0.00 C ATOM 356 CG ASP A 24 -9.914 -9.913 13.463 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.041 -11.148 13.276 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.829 -9.101 13.246 1.00 0.00 O ATOM 0 H ASP A 24 -7.710 -11.298 12.757 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.781 -8.591 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.306 -10.098 14.841 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.822 -8.449 14.549 1.00 0.00 H new ATOM 363 N VAL A 25 -5.634 -9.373 14.589 1.00 0.00 N ATOM 364 CA VAL A 25 -4.531 -8.872 15.396 1.00 0.00 C ATOM 365 C VAL A 25 -3.394 -8.372 14.520 1.00 0.00 C ATOM 366 O VAL A 25 -2.857 -7.290 14.746 1.00 0.00 O ATOM 367 CB VAL A 25 -4.008 -9.948 16.377 1.00 0.00 C ATOM 368 CG1 VAL A 25 -2.723 -9.489 17.059 1.00 0.00 C ATOM 369 CG2 VAL A 25 -5.067 -10.270 17.420 1.00 0.00 C ATOM 0 H VAL A 25 -5.807 -10.373 14.687 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.917 -8.036 15.980 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.788 -10.849 15.804 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.377 -10.264 17.743 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.958 -9.302 16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.914 -8.572 17.616 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.686 -11.028 18.104 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.313 -9.368 17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.963 -10.645 16.925 1.00 0.00 H new ATOM 379 N GLU A 26 -3.069 -9.149 13.493 1.00 0.00 N ATOM 380 CA GLU A 26 -1.973 -8.816 12.585 1.00 0.00 C ATOM 381 C GLU A 26 -2.321 -7.559 11.829 1.00 0.00 C ATOM 382 O GLU A 26 -1.494 -6.669 11.644 1.00 0.00 O ATOM 383 CB GLU A 26 -1.763 -9.961 11.602 1.00 0.00 C ATOM 384 CG GLU A 26 -1.298 -11.242 12.254 1.00 0.00 C ATOM 385 CD GLU A 26 -1.192 -12.375 11.270 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.061 -12.833 11.000 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.241 -12.822 10.768 1.00 0.00 O ATOM 0 H GLU A 26 -3.551 -10.019 13.266 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.058 -8.658 13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.697 -10.151 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.030 -9.657 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.327 -11.078 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.993 -11.516 13.048 1.00 0.00 H new ATOM 394 N ILE A 27 -3.562 -7.500 11.423 1.00 0.00 N ATOM 395 CA ILE A 27 -4.108 -6.381 10.705 1.00 0.00 C ATOM 396 C ILE A 27 -4.070 -5.111 11.549 1.00 0.00 C ATOM 397 O ILE A 27 -3.600 -4.061 11.098 1.00 0.00 O ATOM 398 CB ILE A 27 -5.564 -6.700 10.287 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.564 -7.780 9.198 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.290 -5.445 9.817 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.926 -8.376 8.921 1.00 0.00 C ATOM 0 H ILE A 27 -4.237 -8.247 11.587 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.500 -6.209 9.817 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.103 -7.078 11.156 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.172 -7.351 8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.883 -8.578 9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.310 -5.701 9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.313 -4.714 10.625 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.767 -5.022 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.841 -9.131 8.139 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.313 -8.837 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.607 -7.590 8.594 1.00 0.00 H new ATOM 413 N LYS A 28 -4.546 -5.217 12.777 1.00 0.00 N ATOM 414 CA LYS A 28 -4.580 -4.110 13.670 1.00 0.00 C ATOM 415 C LYS A 28 -3.187 -3.608 14.013 1.00 0.00 C ATOM 416 O LYS A 28 -2.927 -2.423 13.934 1.00 0.00 O ATOM 417 CB LYS A 28 -5.336 -4.479 14.934 1.00 0.00 C ATOM 418 CG LYS A 28 -5.428 -3.346 15.915 1.00 0.00 C ATOM 419 CD LYS A 28 -6.161 -3.748 17.178 1.00 0.00 C ATOM 420 CE LYS A 28 -7.632 -4.028 16.907 1.00 0.00 C ATOM 421 NZ LYS A 28 -8.374 -4.341 18.151 1.00 0.00 N ATOM 0 H LYS A 28 -4.917 -6.083 13.169 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.101 -3.297 13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.342 -4.804 14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.843 -5.326 15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.425 -3.005 16.171 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.941 -2.504 15.450 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.693 -4.636 17.604 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.072 -2.954 17.920 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.083 -3.162 16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.720 -4.863 16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.372 -4.525 17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.960 -5.183 18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.312 -3.535 18.805 1.00 0.00 H new ATOM 435 N LYS A 29 -2.288 -4.523 14.361 1.00 0.00 N ATOM 436 CA LYS A 29 -0.945 -4.139 14.775 1.00 0.00 C ATOM 437 C LYS A 29 -0.179 -3.495 13.630 1.00 0.00 C ATOM 438 O LYS A 29 0.632 -2.595 13.841 1.00 0.00 O ATOM 439 CB LYS A 29 -0.186 -5.339 15.363 1.00 0.00 C ATOM 440 CG LYS A 29 0.039 -6.488 14.392 1.00 0.00 C ATOM 441 CD LYS A 29 0.697 -7.687 15.077 1.00 0.00 C ATOM 442 CE LYS A 29 2.033 -7.330 15.728 1.00 0.00 C ATOM 443 NZ LYS A 29 3.038 -6.861 14.742 1.00 0.00 N ATOM 0 H LYS A 29 -2.464 -5.528 14.365 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.036 -3.391 15.563 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.782 -4.995 15.728 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.738 -5.713 16.225 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.915 -6.793 13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.667 -6.150 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.022 -8.084 15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.854 -8.479 14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.873 -6.554 16.476 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.423 -8.203 16.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.941 -6.680 15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.176 -7.590 14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.703 -5.984 14.295 1.00 0.00 H new ATOM 457 N ALA A 30 -0.434 -3.964 12.432 1.00 0.00 N ATOM 458 CA ALA A 30 0.145 -3.394 11.236 1.00 0.00 C ATOM 459 C ALA A 30 -0.349 -1.983 11.042 1.00 0.00 C ATOM 460 O ALA A 30 0.413 -1.090 10.686 1.00 0.00 O ATOM 461 CB ALA A 30 -0.189 -4.238 10.035 1.00 0.00 C ATOM 0 H ALA A 30 -1.052 -4.756 12.257 1.00 0.00 H new ATOM 0 HA ALA A 30 1.229 -3.372 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.255 -3.794 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.207 -5.244 10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.271 -4.288 9.915 1.00 0.00 H new ATOM 467 N TYR A 31 -1.634 -1.789 11.288 1.00 0.00 N ATOM 468 CA TYR A 31 -2.231 -0.479 11.236 1.00 0.00 C ATOM 469 C TYR A 31 -1.598 0.404 12.279 1.00 0.00 C ATOM 470 O TYR A 31 -1.232 1.543 12.011 1.00 0.00 O ATOM 471 CB TYR A 31 -3.745 -0.560 11.453 1.00 0.00 C ATOM 472 CG TYR A 31 -4.398 0.793 11.655 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.531 1.687 10.606 1.00 0.00 C ATOM 474 CD2 TYR A 31 -4.880 1.172 12.905 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.122 2.920 10.791 1.00 0.00 C ATOM 476 CE2 TYR A 31 -5.475 2.405 13.097 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.592 3.274 12.034 1.00 0.00 C ATOM 478 OH TYR A 31 -6.185 4.502 12.215 1.00 0.00 O ATOM 0 H TYR A 31 -2.285 -2.537 11.528 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.056 -0.052 10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.202 -1.051 10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.947 -1.186 12.322 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.166 1.415 9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.788 0.491 13.738 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.215 3.605 9.962 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.845 2.685 14.072 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.463 4.596 13.150 1.00 0.00 H new ATOM 488 N ARG A 32 -1.475 -0.146 13.476 1.00 0.00 N ATOM 489 CA ARG A 32 -0.928 0.567 14.604 1.00 0.00 C ATOM 490 C ARG A 32 0.485 1.003 14.319 1.00 0.00 C ATOM 491 O ARG A 32 0.838 2.146 14.556 1.00 0.00 O ATOM 492 CB ARG A 32 -0.927 -0.345 15.827 1.00 0.00 C ATOM 493 CG ARG A 32 -2.305 -0.806 16.231 1.00 0.00 C ATOM 494 CD ARG A 32 -3.173 0.356 16.630 1.00 0.00 C ATOM 495 NE ARG A 32 -4.514 -0.067 17.044 1.00 0.00 N ATOM 496 CZ ARG A 32 -5.568 0.755 17.136 1.00 0.00 C ATOM 497 NH1 ARG A 32 -5.442 2.037 16.820 1.00 0.00 N ATOM 498 NH2 ARG A 32 -6.744 0.291 17.541 1.00 0.00 N ATOM 0 H ARG A 32 -1.755 -1.104 13.687 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.542 1.448 14.790 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.306 -1.217 15.620 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.468 0.182 16.664 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.769 -1.342 15.403 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.228 -1.507 17.062 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.697 0.898 17.447 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.255 1.049 15.793 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.654 -1.050 17.277 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.541 2.399 16.506 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.246 2.661 16.891 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.847 -0.694 17.783 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.544 0.920 17.610 1.00 0.00 H new ATOM 512 N LYS A 33 1.283 0.102 13.770 1.00 0.00 N ATOM 513 CA LYS A 33 2.659 0.442 13.474 1.00 0.00 C ATOM 514 C LYS A 33 2.716 1.411 12.321 1.00 0.00 C ATOM 515 O LYS A 33 3.437 2.376 12.377 1.00 0.00 O ATOM 516 CB LYS A 33 3.512 -0.806 13.188 1.00 0.00 C ATOM 517 CG LYS A 33 3.317 -1.406 11.804 1.00 0.00 C ATOM 518 CD LYS A 33 4.191 -2.633 11.582 1.00 0.00 C ATOM 519 CE LYS A 33 3.995 -3.206 10.179 1.00 0.00 C ATOM 520 NZ LYS A 33 4.854 -4.393 9.934 1.00 0.00 N ATOM 0 H LYS A 33 1.008 -0.849 13.526 1.00 0.00 H new ATOM 0 HA LYS A 33 3.083 0.919 14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.563 -0.547 13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.281 -1.566 13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.270 -1.679 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.548 -0.655 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.238 -2.367 11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.950 -3.393 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.949 -3.482 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.220 -2.438 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.688 -4.749 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.854 -4.125 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.622 -5.137 10.622 1.00 0.00 H new ATOM 534 N CYS A 34 1.907 1.185 11.298 1.00 0.00 N ATOM 535 CA CYS A 34 1.925 2.063 10.141 1.00 0.00 C ATOM 536 C CYS A 34 1.538 3.482 10.540 1.00 0.00 C ATOM 537 O CYS A 34 2.221 4.446 10.183 1.00 0.00 O ATOM 538 CB CYS A 34 1.000 1.547 9.042 1.00 0.00 C ATOM 539 SG CYS A 34 1.047 2.527 7.518 1.00 0.00 S ATOM 0 H CYS A 34 1.241 0.415 11.245 1.00 0.00 H new ATOM 0 HA CYS A 34 2.941 2.076 9.747 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.270 0.517 8.808 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.022 1.531 9.420 1.00 0.00 H new ATOM 0 HG CYS A 34 0.652 1.795 6.519 1.00 0.00 H new ATOM 545 N ALA A 35 0.447 3.603 11.284 1.00 0.00 N ATOM 546 CA ALA A 35 -0.020 4.900 11.739 1.00 0.00 C ATOM 547 C ALA A 35 0.979 5.549 12.701 1.00 0.00 C ATOM 548 O ALA A 35 1.313 6.691 12.549 1.00 0.00 O ATOM 549 CB ALA A 35 -1.383 4.768 12.401 1.00 0.00 C ATOM 0 H ALA A 35 -0.130 2.817 11.584 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.111 5.547 10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.721 5.748 12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.098 4.364 11.684 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.308 4.097 13.257 1.00 0.00 H new ATOM 555 N LEU A 36 1.472 4.791 13.672 1.00 0.00 N ATOM 556 CA LEU A 36 2.427 5.343 14.633 1.00 0.00 C ATOM 557 C LEU A 36 3.699 5.791 13.941 1.00 0.00 C ATOM 558 O LEU A 36 4.252 6.847 14.249 1.00 0.00 O ATOM 559 CB LEU A 36 2.772 4.326 15.721 1.00 0.00 C ATOM 560 CG LEU A 36 1.663 3.993 16.720 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.103 2.855 17.631 1.00 0.00 C ATOM 562 CD2 LEU A 36 1.294 5.219 17.541 1.00 0.00 C ATOM 0 H LEU A 36 1.234 3.810 13.817 1.00 0.00 H new ATOM 0 HA LEU A 36 1.951 6.206 15.097 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.084 3.401 15.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.631 4.700 16.277 1.00 0.00 H new ATOM 0 HG LEU A 36 0.780 3.677 16.165 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.306 2.626 18.338 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.320 1.972 17.031 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.998 3.152 18.177 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.503 4.961 18.245 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.169 5.567 18.089 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.944 6.010 16.877 1.00 0.00 H new ATOM 574 N LYS A 37 4.152 4.988 13.011 1.00 0.00 N ATOM 575 CA LYS A 37 5.366 5.268 12.278 1.00 0.00 C ATOM 576 C LYS A 37 5.233 6.479 11.330 1.00 0.00 C ATOM 577 O LYS A 37 6.155 7.278 11.226 1.00 0.00 O ATOM 578 CB LYS A 37 5.792 4.010 11.504 1.00 0.00 C ATOM 579 CG LYS A 37 6.273 2.876 12.407 1.00 0.00 C ATOM 580 CD LYS A 37 6.423 1.562 11.656 1.00 0.00 C ATOM 581 CE LYS A 37 7.530 1.619 10.618 1.00 0.00 C ATOM 582 NZ LYS A 37 7.706 0.313 9.932 1.00 0.00 N ATOM 0 H LYS A 37 3.690 4.120 12.739 1.00 0.00 H new ATOM 0 HA LYS A 37 6.135 5.538 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.951 3.657 10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.589 4.273 10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.230 3.149 12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.568 2.744 13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.633 0.762 12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.481 1.315 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.299 2.389 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.465 1.907 11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.470 0.390 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.950 -0.417 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.821 0.050 9.453 1.00 0.00 H new ATOM 596 N TYR A 38 4.093 6.609 10.635 1.00 0.00 N ATOM 597 CA TYR A 38 3.939 7.679 9.631 1.00 0.00 C ATOM 598 C TYR A 38 2.711 8.593 9.818 1.00 0.00 C ATOM 599 O TYR A 38 2.275 9.230 8.867 1.00 0.00 O ATOM 600 CB TYR A 38 3.949 7.052 8.237 1.00 0.00 C ATOM 601 CG TYR A 38 5.293 6.451 7.879 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.565 5.107 8.104 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.298 7.238 7.339 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.803 4.568 7.799 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.535 6.707 7.028 1.00 0.00 C ATOM 606 CZ TYR A 38 7.782 5.376 7.260 1.00 0.00 C ATOM 607 OH TYR A 38 9.017 4.847 6.958 1.00 0.00 O ATOM 0 H TYR A 38 3.280 6.003 10.743 1.00 0.00 H new ATOM 0 HA TYR A 38 4.787 8.350 9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.183 6.278 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.686 7.810 7.499 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.798 4.473 8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.111 8.286 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.001 3.522 7.982 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.304 7.336 6.604 1.00 0.00 H new ATOM 0 HH TYR A 38 9.591 5.548 6.585 1.00 0.00 H new ATOM 617 N HIS A 39 2.164 8.670 11.013 1.00 0.00 N ATOM 618 CA HIS A 39 1.008 9.557 11.256 1.00 0.00 C ATOM 619 C HIS A 39 1.367 11.030 11.041 1.00 0.00 C ATOM 620 O HIS A 39 2.402 11.492 11.494 1.00 0.00 O ATOM 621 CB HIS A 39 0.435 9.357 12.675 1.00 0.00 C ATOM 622 CG HIS A 39 1.419 9.585 13.800 1.00 0.00 C ATOM 623 ND1 HIS A 39 1.030 9.801 15.103 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.778 9.582 13.818 1.00 0.00 C ATOM 625 CE1 HIS A 39 2.097 9.918 15.869 1.00 0.00 C ATOM 626 NE2 HIS A 39 3.171 9.787 15.115 1.00 0.00 N ATOM 0 H HIS A 39 2.482 8.146 11.828 1.00 0.00 H new ATOM 0 HA HIS A 39 0.244 9.283 10.529 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.409 10.034 12.808 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.045 8.342 12.753 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.064 9.861 15.426 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.428 9.444 12.967 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.092 10.092 16.935 1.00 0.00 H new ATOM 634 N PRO A 40 0.468 11.794 10.396 1.00 0.00 N ATOM 635 CA PRO A 40 0.686 13.225 10.098 1.00 0.00 C ATOM 636 C PRO A 40 0.778 14.074 11.365 1.00 0.00 C ATOM 637 O PRO A 40 1.235 15.221 11.332 1.00 0.00 O ATOM 638 CB PRO A 40 -0.554 13.610 9.280 1.00 0.00 C ATOM 639 CG PRO A 40 -1.582 12.601 9.653 1.00 0.00 C ATOM 640 CD PRO A 40 -0.832 11.324 9.885 1.00 0.00 C ATOM 0 HA PRO A 40 1.627 13.395 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.887 14.620 9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.346 13.586 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.123 12.906 10.549 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.320 12.483 8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.340 10.682 10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.721 10.748 8.966 1.00 0.00 H new ATOM 648 N ASP A 41 0.341 13.497 12.477 1.00 0.00 N ATOM 649 CA ASP A 41 0.359 14.167 13.776 1.00 0.00 C ATOM 650 C ASP A 41 1.786 14.452 14.234 1.00 0.00 C ATOM 651 O ASP A 41 2.021 15.372 15.015 1.00 0.00 O ATOM 652 CB ASP A 41 -0.358 13.319 14.828 1.00 0.00 C ATOM 653 CG ASP A 41 -1.830 13.157 14.537 1.00 0.00 C ATOM 654 OD1 ASP A 41 -2.554 14.175 14.496 1.00 0.00 O ATOM 655 OD2 ASP A 41 -2.273 12.012 14.334 1.00 0.00 O ATOM 0 H ASP A 41 -0.037 12.550 12.506 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.163 15.117 13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.109 12.336 14.877 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.234 13.780 15.808 1.00 0.00 H new ATOM 660 N LYS A 42 2.735 13.663 13.744 1.00 0.00 N ATOM 661 CA LYS A 42 4.138 13.833 14.110 1.00 0.00 C ATOM 662 C LYS A 42 5.022 13.795 12.875 1.00 0.00 C ATOM 663 O LYS A 42 6.100 14.384 12.852 1.00 0.00 O ATOM 664 CB LYS A 42 4.580 12.781 15.127 1.00 0.00 C ATOM 665 CG LYS A 42 3.935 12.961 16.487 1.00 0.00 C ATOM 666 CD LYS A 42 4.444 11.945 17.491 1.00 0.00 C ATOM 667 CE LYS A 42 3.790 12.140 18.850 1.00 0.00 C ATOM 668 NZ LYS A 42 4.099 13.474 19.424 1.00 0.00 N ATOM 0 H LYS A 42 2.559 12.899 13.092 1.00 0.00 H new ATOM 0 HA LYS A 42 4.244 14.811 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.337 11.790 14.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.664 12.823 15.237 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.136 13.967 16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.853 12.867 16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.241 10.938 17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.526 12.037 17.589 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.710 12.027 18.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.132 11.362 19.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.828 13.491 20.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.118 13.662 19.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.567 14.205 18.910 1.00 0.00 H new ATOM 682 N ASN A 43 4.549 13.110 11.852 1.00 0.00 N ATOM 683 CA ASN A 43 5.246 13.014 10.592 1.00 0.00 C ATOM 684 C ASN A 43 4.642 14.008 9.618 1.00 0.00 C ATOM 685 O ASN A 43 3.528 13.820 9.137 1.00 0.00 O ATOM 686 CB ASN A 43 5.133 11.592 10.037 1.00 0.00 C ATOM 687 CG ASN A 43 5.778 10.569 10.942 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.159 10.078 11.885 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.023 10.237 10.663 1.00 0.00 N ATOM 0 H ASN A 43 3.664 12.603 11.876 1.00 0.00 H new ATOM 0 HA ASN A 43 6.302 13.243 10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.081 11.341 9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.601 11.550 9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.509 9.549 11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.501 10.668 9.871 1.00 0.00 H new ATOM 696 N PRO A 44 5.362 15.095 9.331 1.00 0.00 N ATOM 697 CA PRO A 44 4.873 16.164 8.462 1.00 0.00 C ATOM 698 C PRO A 44 4.919 15.798 6.984 1.00 0.00 C ATOM 699 O PRO A 44 4.392 16.527 6.140 1.00 0.00 O ATOM 700 CB PRO A 44 5.824 17.316 8.761 1.00 0.00 C ATOM 701 CG PRO A 44 7.103 16.650 9.123 1.00 0.00 C ATOM 702 CD PRO A 44 6.725 15.379 9.837 1.00 0.00 C ATOM 0 HA PRO A 44 3.824 16.392 8.652 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.945 17.967 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.453 17.937 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.696 16.436 8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.709 17.291 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.416 14.568 9.607 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.733 15.508 10.919 1.00 0.00 H new ATOM 710 N SER A 45 5.554 14.682 6.670 1.00 0.00 N ATOM 711 CA SER A 45 5.682 14.258 5.302 1.00 0.00 C ATOM 712 C SER A 45 4.324 13.927 4.736 1.00 0.00 C ATOM 713 O SER A 45 3.507 13.255 5.380 1.00 0.00 O ATOM 714 CB SER A 45 6.546 13.035 5.210 1.00 0.00 C ATOM 715 OG SER A 45 7.470 12.982 6.291 1.00 0.00 O ATOM 0 H SER A 45 5.987 14.058 7.351 1.00 0.00 H new ATOM 0 HA SER A 45 6.137 15.071 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.921 12.142 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.087 13.038 4.264 1.00 0.00 H new ATOM 0 HG SER A 45 8.021 12.176 6.211 1.00 0.00 H new ATOM 721 N GLU A 46 4.079 14.403 3.558 1.00 0.00 N ATOM 722 CA GLU A 46 2.829 14.148 2.891 1.00 0.00 C ATOM 723 C GLU A 46 2.703 12.685 2.540 1.00 0.00 C ATOM 724 O GLU A 46 1.620 12.122 2.586 1.00 0.00 O ATOM 725 CB GLU A 46 2.697 15.002 1.646 1.00 0.00 C ATOM 726 CG GLU A 46 3.725 14.725 0.565 1.00 0.00 C ATOM 727 CD GLU A 46 3.510 15.576 -0.662 1.00 0.00 C ATOM 728 OE1 GLU A 46 4.173 16.620 -0.786 1.00 0.00 O ATOM 729 OE2 GLU A 46 2.669 15.208 -1.503 1.00 0.00 O ATOM 0 H GLU A 46 4.733 14.978 3.027 1.00 0.00 H new ATOM 0 HA GLU A 46 2.022 14.412 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.702 14.854 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.769 16.051 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.724 14.909 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.681 13.672 0.286 1.00 0.00 H new ATOM 736 N GLU A 47 3.834 12.078 2.229 1.00 0.00 N ATOM 737 CA GLU A 47 3.918 10.664 1.882 1.00 0.00 C ATOM 738 C GLU A 47 3.455 9.842 3.072 1.00 0.00 C ATOM 739 O GLU A 47 2.743 8.854 2.932 1.00 0.00 O ATOM 740 CB GLU A 47 5.387 10.308 1.631 1.00 0.00 C ATOM 741 CG GLU A 47 6.098 11.130 0.555 1.00 0.00 C ATOM 742 CD GLU A 47 5.492 11.033 -0.818 1.00 0.00 C ATOM 743 OE1 GLU A 47 5.112 9.922 -1.233 1.00 0.00 O ATOM 744 OE2 GLU A 47 5.431 12.075 -1.513 1.00 0.00 O ATOM 0 H GLU A 47 4.734 12.557 2.209 1.00 0.00 H new ATOM 0 HA GLU A 47 3.307 10.463 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.933 10.421 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.444 9.255 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.103 12.176 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.138 10.809 0.501 1.00 0.00 H new ATOM 751 N ALA A 48 3.884 10.277 4.243 1.00 0.00 N ATOM 752 CA ALA A 48 3.543 9.625 5.494 1.00 0.00 C ATOM 753 C ALA A 48 2.062 9.673 5.705 1.00 0.00 C ATOM 754 O ALA A 48 1.431 8.691 6.097 1.00 0.00 O ATOM 755 CB ALA A 48 4.271 10.296 6.647 1.00 0.00 C ATOM 0 H ALA A 48 4.481 11.096 4.353 1.00 0.00 H new ATOM 0 HA ALA A 48 3.855 8.581 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.009 9.800 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.347 10.225 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.980 11.345 6.700 1.00 0.00 H new ATOM 761 N ALA A 49 1.519 10.813 5.409 1.00 0.00 N ATOM 762 CA ALA A 49 0.094 11.039 5.502 1.00 0.00 C ATOM 763 C ALA A 49 -0.640 10.135 4.527 1.00 0.00 C ATOM 764 O ALA A 49 -1.699 9.587 4.845 1.00 0.00 O ATOM 765 CB ALA A 49 -0.237 12.497 5.241 1.00 0.00 C ATOM 0 H ALA A 49 2.049 11.625 5.093 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.233 10.798 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.314 12.645 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.267 13.122 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.098 12.773 4.241 1.00 0.00 H new ATOM 771 N GLU A 50 -0.057 9.973 3.335 1.00 0.00 N ATOM 772 CA GLU A 50 -0.639 9.127 2.304 1.00 0.00 C ATOM 773 C GLU A 50 -0.710 7.704 2.811 1.00 0.00 C ATOM 774 O GLU A 50 -1.725 7.018 2.658 1.00 0.00 O ATOM 775 CB GLU A 50 0.245 9.138 1.056 1.00 0.00 C ATOM 776 CG GLU A 50 0.445 10.503 0.446 1.00 0.00 C ATOM 777 CD GLU A 50 1.114 10.439 -0.908 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.827 9.496 -1.678 1.00 0.00 O ATOM 779 OE2 GLU A 50 1.912 11.334 -1.218 1.00 0.00 O ATOM 0 H GLU A 50 0.819 10.420 3.066 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.633 9.503 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.219 8.722 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.196 8.480 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.521 10.999 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.049 11.113 1.118 1.00 0.00 H new ATOM 786 N LYS A 51 0.376 7.287 3.435 1.00 0.00 N ATOM 787 CA LYS A 51 0.498 5.951 4.003 1.00 0.00 C ATOM 788 C LYS A 51 -0.521 5.730 5.106 1.00 0.00 C ATOM 789 O LYS A 51 -1.141 4.673 5.195 1.00 0.00 O ATOM 790 CB LYS A 51 1.882 5.785 4.584 1.00 0.00 C ATOM 791 CG LYS A 51 2.983 5.776 3.553 1.00 0.00 C ATOM 792 CD LYS A 51 4.334 5.679 4.214 1.00 0.00 C ATOM 793 CE LYS A 51 4.455 4.389 5.008 1.00 0.00 C ATOM 794 NZ LYS A 51 4.225 3.192 4.149 1.00 0.00 N ATOM 0 H LYS A 51 1.205 7.867 3.564 1.00 0.00 H new ATOM 0 HA LYS A 51 0.321 5.224 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.067 6.593 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.919 4.853 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.844 4.935 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.932 6.684 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.118 5.721 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.483 6.533 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.446 4.330 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.734 4.395 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.574 2.342 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.207 3.090 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.733 3.308 3.249 1.00 0.00 H new ATOM 808 N PHE A 52 -0.683 6.740 5.940 1.00 0.00 N ATOM 809 CA PHE A 52 -1.639 6.702 7.021 1.00 0.00 C ATOM 810 C PHE A 52 -3.052 6.477 6.481 1.00 0.00 C ATOM 811 O PHE A 52 -3.803 5.642 6.995 1.00 0.00 O ATOM 812 CB PHE A 52 -1.565 7.993 7.844 1.00 0.00 C ATOM 813 CG PHE A 52 -2.630 8.092 8.904 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.518 7.392 10.091 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.752 8.884 8.701 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.502 7.477 11.056 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.737 8.973 9.662 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.613 8.268 10.840 1.00 0.00 C ATOM 0 H PHE A 52 -0.153 7.609 5.884 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.392 5.866 7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.585 8.057 8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.651 8.848 7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.651 6.772 10.265 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.855 9.437 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.403 6.925 11.979 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.604 9.594 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.384 8.334 11.593 1.00 0.00 H new ATOM 828 N LYS A 53 -3.410 7.224 5.449 1.00 0.00 N ATOM 829 CA LYS A 53 -4.729 7.110 4.843 1.00 0.00 C ATOM 830 C LYS A 53 -4.950 5.716 4.253 1.00 0.00 C ATOM 831 O LYS A 53 -6.042 5.159 4.352 1.00 0.00 O ATOM 832 CB LYS A 53 -4.916 8.176 3.764 1.00 0.00 C ATOM 833 CG LYS A 53 -4.831 9.598 4.294 1.00 0.00 C ATOM 834 CD LYS A 53 -5.880 9.862 5.363 1.00 0.00 C ATOM 835 CE LYS A 53 -5.774 11.278 5.899 1.00 0.00 C ATOM 836 NZ LYS A 53 -6.032 12.287 4.849 1.00 0.00 N ATOM 0 H LYS A 53 -2.804 7.918 5.012 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.470 7.267 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.158 8.038 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.885 8.032 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.838 9.774 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.964 10.302 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.875 9.701 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.757 9.151 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.486 11.412 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.779 11.435 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.168 13.219 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.221 12.326 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.888 12.026 4.319 1.00 0.00 H new ATOM 850 N GLU A 54 -3.924 5.162 3.639 1.00 0.00 N ATOM 851 CA GLU A 54 -4.016 3.822 3.077 1.00 0.00 C ATOM 852 C GLU A 54 -4.131 2.777 4.172 1.00 0.00 C ATOM 853 O GLU A 54 -4.918 1.835 4.067 1.00 0.00 O ATOM 854 CB GLU A 54 -2.811 3.531 2.221 1.00 0.00 C ATOM 855 CG GLU A 54 -2.737 4.395 0.997 1.00 0.00 C ATOM 856 CD GLU A 54 -1.511 4.119 0.161 1.00 0.00 C ATOM 857 OE1 GLU A 54 -0.387 4.174 0.705 1.00 0.00 O ATOM 858 OE2 GLU A 54 -1.668 3.854 -1.053 1.00 0.00 O ATOM 0 H GLU A 54 -3.018 5.614 3.515 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.915 3.778 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.908 3.674 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.832 2.484 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.628 4.235 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.739 5.443 1.297 1.00 0.00 H new ATOM 865 N ALA A 55 -3.361 2.965 5.236 1.00 0.00 N ATOM 866 CA ALA A 55 -3.359 2.041 6.354 1.00 0.00 C ATOM 867 C ALA A 55 -4.710 2.027 7.023 1.00 0.00 C ATOM 868 O ALA A 55 -5.221 0.975 7.402 1.00 0.00 O ATOM 869 CB ALA A 55 -2.285 2.420 7.354 1.00 0.00 C ATOM 0 H ALA A 55 -2.727 3.756 5.345 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.144 1.042 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.298 1.716 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.309 2.390 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.474 3.426 7.727 1.00 0.00 H new ATOM 875 N SER A 56 -5.288 3.206 7.160 1.00 0.00 N ATOM 876 CA SER A 56 -6.566 3.346 7.782 1.00 0.00 C ATOM 877 C SER A 56 -7.673 2.709 6.948 1.00 0.00 C ATOM 878 O SER A 56 -8.525 2.026 7.488 1.00 0.00 O ATOM 879 CB SER A 56 -6.842 4.819 8.099 1.00 0.00 C ATOM 880 OG SER A 56 -6.719 5.628 6.949 1.00 0.00 O ATOM 0 H SER A 56 -4.876 4.083 6.840 1.00 0.00 H new ATOM 0 HA SER A 56 -6.553 2.803 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.846 4.921 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.146 5.164 8.864 1.00 0.00 H new ATOM 0 HG SER A 56 -6.494 5.068 6.177 1.00 0.00 H new ATOM 886 N ALA A 57 -7.632 2.892 5.623 1.00 0.00 N ATOM 887 CA ALA A 57 -8.636 2.276 4.745 1.00 0.00 C ATOM 888 C ALA A 57 -8.517 0.756 4.790 1.00 0.00 C ATOM 889 O ALA A 57 -9.525 0.026 4.811 1.00 0.00 O ATOM 890 CB ALA A 57 -8.492 2.789 3.320 1.00 0.00 C ATOM 0 H ALA A 57 -6.928 3.451 5.141 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.627 2.554 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.245 2.320 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.629 3.870 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.498 2.545 2.944 1.00 0.00 H new ATOM 896 N ALA A 58 -7.278 0.293 4.820 1.00 0.00 N ATOM 897 CA ALA A 58 -6.983 -1.118 4.901 1.00 0.00 C ATOM 898 C ALA A 58 -7.559 -1.664 6.171 1.00 0.00 C ATOM 899 O ALA A 58 -8.221 -2.675 6.170 1.00 0.00 O ATOM 900 CB ALA A 58 -5.481 -1.342 4.881 1.00 0.00 C ATOM 0 H ALA A 58 -6.452 0.890 4.789 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.423 -1.629 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.272 -2.410 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.066 -0.944 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.026 -0.833 5.731 1.00 0.00 H new ATOM 906 N TYR A 59 -7.344 -0.938 7.244 1.00 0.00 N ATOM 907 CA TYR A 59 -7.866 -1.289 8.543 1.00 0.00 C ATOM 908 C TYR A 59 -9.381 -1.300 8.520 1.00 0.00 C ATOM 909 O TYR A 59 -9.995 -2.151 9.106 1.00 0.00 O ATOM 910 CB TYR A 59 -7.346 -0.310 9.592 1.00 0.00 C ATOM 911 CG TYR A 59 -7.751 -0.616 11.020 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.146 -1.647 11.725 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.715 0.145 11.672 1.00 0.00 C ATOM 914 CE1 TYR A 59 -7.488 -1.915 13.035 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.066 -0.120 12.984 1.00 0.00 C ATOM 916 CZ TYR A 59 -8.447 -1.151 13.660 1.00 0.00 C ATOM 917 OH TYR A 59 -8.782 -1.417 14.968 1.00 0.00 O ATOM 0 H TYR A 59 -6.796 -0.078 7.238 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.526 -2.291 8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.258 -0.288 9.537 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.698 0.690 9.338 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.394 -2.251 11.240 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.197 0.956 11.146 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.005 -2.721 13.567 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.820 0.477 13.476 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.473 -0.788 15.263 1.00 0.00 H new ATOM 927 N GLU A 60 -9.970 -0.365 7.813 1.00 0.00 N ATOM 928 CA GLU A 60 -11.414 -0.247 7.781 1.00 0.00 C ATOM 929 C GLU A 60 -12.071 -1.530 7.259 1.00 0.00 C ATOM 930 O GLU A 60 -13.091 -1.964 7.792 1.00 0.00 O ATOM 931 CB GLU A 60 -11.837 0.946 6.927 1.00 0.00 C ATOM 932 CG GLU A 60 -11.439 2.281 7.524 1.00 0.00 C ATOM 933 CD GLU A 60 -11.983 2.479 8.928 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.217 2.508 9.091 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.180 2.599 9.877 1.00 0.00 O ATOM 0 H GLU A 60 -9.474 0.327 7.251 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.753 -0.087 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.392 0.851 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.919 0.923 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.352 2.355 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.800 3.084 6.882 1.00 0.00 H new ATOM 942 N ILE A 61 -11.483 -2.139 6.237 1.00 0.00 N ATOM 943 CA ILE A 61 -12.036 -3.378 5.692 1.00 0.00 C ATOM 944 C ILE A 61 -11.433 -4.599 6.349 1.00 0.00 C ATOM 945 O ILE A 61 -12.138 -5.504 6.757 1.00 0.00 O ATOM 946 CB ILE A 61 -11.873 -3.459 4.157 1.00 0.00 C ATOM 947 CG1 ILE A 61 -10.416 -3.225 3.743 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.798 -2.468 3.466 1.00 0.00 C ATOM 949 CD1 ILE A 61 -10.163 -3.436 2.274 1.00 0.00 C ATOM 0 H ILE A 61 -10.638 -1.805 5.774 1.00 0.00 H new ATOM 0 HA ILE A 61 -13.103 -3.363 5.917 1.00 0.00 H new ATOM 0 HB ILE A 61 -12.152 -4.464 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.131 -2.207 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.773 -3.896 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.668 -2.541 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.832 -2.696 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.557 -1.457 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.111 -3.252 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.416 -4.462 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.779 -2.747 1.696 1.00 0.00 H new ATOM 961 N LEU A 62 -10.133 -4.606 6.457 1.00 0.00 N ATOM 962 CA LEU A 62 -9.405 -5.726 7.015 1.00 0.00 C ATOM 963 C LEU A 62 -9.736 -5.984 8.500 1.00 0.00 C ATOM 964 O LEU A 62 -9.835 -7.130 8.921 1.00 0.00 O ATOM 965 CB LEU A 62 -7.918 -5.507 6.801 1.00 0.00 C ATOM 966 CG LEU A 62 -7.464 -5.452 5.333 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.970 -5.228 5.238 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.866 -6.707 4.577 1.00 0.00 C ATOM 0 H LEU A 62 -9.539 -3.832 6.160 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.720 -6.628 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.632 -4.574 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.374 -6.308 7.302 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.970 -4.607 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.673 -5.193 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.712 -4.285 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.447 -6.045 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.529 -6.633 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.408 -7.577 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.951 -6.813 4.598 1.00 0.00 H new ATOM 980 N SER A 63 -9.915 -4.918 9.277 1.00 0.00 N ATOM 981 CA SER A 63 -10.265 -5.038 10.711 1.00 0.00 C ATOM 982 C SER A 63 -11.655 -5.664 10.891 1.00 0.00 C ATOM 983 O SER A 63 -12.047 -6.026 12.004 1.00 0.00 O ATOM 984 CB SER A 63 -10.200 -3.671 11.403 1.00 0.00 C ATOM 985 OG SER A 63 -10.433 -3.768 12.799 1.00 0.00 O ATOM 0 H SER A 63 -9.826 -3.957 8.948 1.00 0.00 H new ATOM 0 HA SER A 63 -9.533 -5.697 11.178 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.221 -3.223 11.229 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.939 -3.004 10.958 1.00 0.00 H new ATOM 0 HG SER A 63 -9.902 -3.090 13.267 1.00 0.00 H new ATOM 991 N ASP A 64 -12.393 -5.769 9.802 1.00 0.00 N ATOM 992 CA ASP A 64 -13.675 -6.437 9.807 1.00 0.00 C ATOM 993 C ASP A 64 -13.532 -7.692 8.988 1.00 0.00 C ATOM 994 O ASP A 64 -13.504 -7.631 7.790 1.00 0.00 O ATOM 995 CB ASP A 64 -14.808 -5.564 9.235 1.00 0.00 C ATOM 996 CG ASP A 64 -15.219 -4.425 10.143 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.430 -4.667 11.354 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.380 -3.292 9.648 1.00 0.00 O ATOM 0 H ASP A 64 -12.120 -5.394 8.894 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.951 -6.656 10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.490 -5.155 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.677 -6.193 9.041 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.449 -8.844 9.640 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.197 -10.146 8.979 1.00 0.00 C ATOM 1005 C PRO A 65 -14.167 -10.420 7.846 1.00 0.00 C ATOM 1006 O PRO A 65 -13.831 -11.077 6.868 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.414 -11.143 10.106 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.097 -10.373 11.332 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.588 -8.984 11.081 1.00 0.00 C ATOM 0 HA PRO A 65 -12.208 -10.190 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.440 -11.512 10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.764 -12.012 10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.585 -10.808 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.025 -10.379 11.531 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.622 -8.857 11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.995 -8.243 11.618 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.357 -9.886 7.976 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.374 -10.074 6.972 1.00 0.00 C ATOM 1019 C GLU A 66 -16.007 -9.300 5.733 1.00 0.00 C ATOM 1020 O GLU A 66 -16.164 -9.772 4.620 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.743 -9.665 7.499 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.269 -10.601 8.568 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.496 -11.997 8.035 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.553 -12.242 7.420 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.603 -12.854 8.197 1.00 0.00 O ATOM 0 H GLU A 66 -15.645 -9.316 8.771 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.432 -11.132 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.683 -8.655 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.451 -9.634 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.562 -10.640 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.205 -10.208 8.966 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.460 -8.130 5.950 1.00 0.00 N ATOM 1033 CA LYS A 67 -15.048 -7.252 4.901 1.00 0.00 C ATOM 1034 C LYS A 67 -13.699 -7.679 4.394 1.00 0.00 C ATOM 1035 O LYS A 67 -13.333 -7.422 3.258 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.989 -5.845 5.457 1.00 0.00 C ATOM 1037 CG LYS A 67 -16.354 -5.251 5.758 1.00 0.00 C ATOM 1038 CD LYS A 67 -17.137 -4.999 4.477 1.00 0.00 C ATOM 1039 CE LYS A 67 -18.470 -4.319 4.754 1.00 0.00 C ATOM 1040 NZ LYS A 67 -19.389 -5.185 5.535 1.00 0.00 N ATOM 0 H LYS A 67 -15.288 -7.760 6.885 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.753 -7.285 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.395 -5.849 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.472 -5.203 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.914 -5.928 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.234 -4.316 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.545 -4.378 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.311 -5.946 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.296 -3.391 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.942 -4.050 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.323 -4.732 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.483 -6.107 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.006 -5.324 6.492 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.979 -8.339 5.260 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.676 -8.847 4.977 1.00 0.00 C ATOM 1056 C ARG A 68 -11.810 -10.004 3.998 1.00 0.00 C ATOM 1057 O ARG A 68 -11.071 -10.094 3.026 1.00 0.00 O ATOM 1058 CB ARG A 68 -11.048 -9.318 6.293 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.529 -9.274 6.338 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.893 -10.406 5.561 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.307 -11.721 6.038 1.00 0.00 N ATOM 1062 CZ ARG A 68 -9.047 -12.854 5.392 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.377 -12.824 4.244 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -9.451 -14.016 5.893 1.00 0.00 N ATOM 0 H ARG A 68 -13.297 -8.541 6.208 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.040 -8.082 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.437 -8.702 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.372 -10.341 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.184 -8.322 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.198 -9.319 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.153 -10.308 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.808 -10.324 5.631 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.824 -11.774 6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.063 -11.933 3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.177 -13.692 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.962 -14.041 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.250 -14.883 5.395 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.788 -10.884 4.262 1.00 0.00 N ATOM 1079 CA ASP A 69 -13.065 -12.014 3.379 1.00 0.00 C ATOM 1080 C ASP A 69 -13.583 -11.513 2.069 1.00 0.00 C ATOM 1081 O ASP A 69 -13.238 -12.023 1.014 1.00 0.00 O ATOM 1082 CB ASP A 69 -14.082 -12.975 3.992 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.542 -13.751 5.170 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.436 -14.305 5.066 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -14.241 -13.841 6.198 1.00 0.00 O ATOM 0 H ASP A 69 -13.396 -10.830 5.079 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.132 -12.558 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.958 -12.410 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.415 -13.676 3.227 1.00 0.00 H new ATOM 1090 N ILE A 70 -14.420 -10.503 2.149 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.972 -9.876 0.979 1.00 0.00 C ATOM 1092 C ILE A 70 -13.861 -9.270 0.135 1.00 0.00 C ATOM 1093 O ILE A 70 -13.798 -9.490 -1.074 1.00 0.00 O ATOM 1094 CB ILE A 70 -16.012 -8.809 1.380 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -17.280 -9.475 1.933 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -16.342 -7.867 0.225 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.968 -10.411 0.953 1.00 0.00 C ATOM 0 H ILE A 70 -14.735 -10.096 3.030 1.00 0.00 H new ATOM 0 HA ILE A 70 -15.481 -10.631 0.380 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.570 -8.199 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.021 -10.034 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.984 -8.699 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -17.078 -7.133 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.436 -7.354 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -16.748 -8.441 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.854 -10.840 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -18.261 -9.854 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -17.283 -11.211 0.672 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.966 -8.544 0.786 1.00 0.00 N ATOM 1110 CA TYR A 71 -11.810 -7.971 0.109 1.00 0.00 C ATOM 1111 C TYR A 71 -10.957 -9.069 -0.507 1.00 0.00 C ATOM 1112 O TYR A 71 -10.551 -8.980 -1.652 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.964 -7.134 1.075 1.00 0.00 C ATOM 1114 CG TYR A 71 -9.669 -6.632 0.464 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -9.661 -5.557 -0.411 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -8.459 -7.245 0.758 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -8.484 -5.107 -0.975 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -7.279 -6.798 0.200 1.00 0.00 C ATOM 1119 CZ TYR A 71 -7.296 -5.732 -0.664 1.00 0.00 C ATOM 1120 OH TYR A 71 -6.117 -5.290 -1.230 1.00 0.00 O ATOM 0 H TYR A 71 -13.017 -8.337 1.783 1.00 0.00 H new ATOM 0 HA TYR A 71 -12.177 -7.318 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.551 -6.281 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.733 -7.733 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.590 -5.064 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.441 -8.086 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.494 -4.269 -1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.346 -7.285 0.442 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.256 -4.404 -1.625 1.00 0.00 H new ATOM 1130 N ASP A 72 -10.699 -10.096 0.273 1.00 0.00 N ATOM 1131 CA ASP A 72 -9.857 -11.208 -0.147 1.00 0.00 C ATOM 1132 C ASP A 72 -10.421 -11.911 -1.387 1.00 0.00 C ATOM 1133 O ASP A 72 -9.687 -12.217 -2.324 1.00 0.00 O ATOM 1134 CB ASP A 72 -9.741 -12.209 0.998 1.00 0.00 C ATOM 1135 CG ASP A 72 -8.785 -13.329 0.696 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -7.566 -13.106 0.794 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -9.242 -14.436 0.369 1.00 0.00 O ATOM 0 H ASP A 72 -11.066 -10.189 1.220 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.875 -10.811 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.412 -11.689 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.725 -12.625 1.212 1.00 0.00 H new ATOM 1142 N GLN A 73 -11.726 -12.143 -1.383 1.00 0.00 N ATOM 1143 CA GLN A 73 -12.402 -12.849 -2.473 1.00 0.00 C ATOM 1144 C GLN A 73 -12.369 -12.063 -3.772 1.00 0.00 C ATOM 1145 O GLN A 73 -12.177 -12.632 -4.846 1.00 0.00 O ATOM 1146 CB GLN A 73 -13.848 -13.149 -2.094 1.00 0.00 C ATOM 1147 CG GLN A 73 -13.988 -14.183 -0.998 1.00 0.00 C ATOM 1148 CD GLN A 73 -15.422 -14.359 -0.549 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -16.176 -15.146 -1.123 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -15.806 -13.633 0.480 1.00 0.00 N ATOM 0 H GLN A 73 -12.348 -11.850 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.862 -13.782 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -14.329 -12.225 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.382 -13.496 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.602 -15.139 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.377 -13.889 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.149 -12.993 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.761 -13.710 0.831 1.00 0.00 H new ATOM 1159 N PHE A 74 -12.562 -10.762 -3.677 1.00 0.00 N ATOM 1160 CA PHE A 74 -12.567 -9.924 -4.865 1.00 0.00 C ATOM 1161 C PHE A 74 -11.165 -9.450 -5.214 1.00 0.00 C ATOM 1162 O PHE A 74 -10.916 -8.984 -6.329 1.00 0.00 O ATOM 1163 CB PHE A 74 -13.520 -8.736 -4.698 1.00 0.00 C ATOM 1164 CG PHE A 74 -14.968 -9.138 -4.581 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -15.639 -9.034 -3.375 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -15.651 -9.630 -5.678 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -16.965 -9.410 -3.268 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -16.974 -10.008 -5.578 1.00 0.00 C ATOM 1169 CZ PHE A 74 -17.633 -9.896 -4.370 1.00 0.00 C ATOM 0 H PHE A 74 -12.716 -10.264 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.928 -10.532 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.234 -8.174 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -13.405 -8.066 -5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -15.120 -8.655 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -15.142 -9.720 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.477 -9.323 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -17.494 -10.391 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 74 -18.669 -10.189 -4.289 1.00 0.00 H new ATOM 1179 N GLY A 75 -10.257 -9.583 -4.269 1.00 0.00 N ATOM 1180 CA GLY A 75 -8.880 -9.199 -4.496 1.00 0.00 C ATOM 1181 C GLY A 75 -8.595 -7.769 -4.075 1.00 0.00 C ATOM 1182 O GLY A 75 -9.497 -6.919 -4.191 1.00 0.00 O ATOM 1183 OXT GLY A 75 -7.464 -7.492 -3.623 1.00 0.00 O ATOM 0 H GLY A 75 -10.448 -9.954 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.223 -9.873 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.644 -9.316 -5.554 1.00 0.00 H new TER 1187 GLY A 75