USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 525 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 13 THR OG1 : rot 32:sc= 0.0566 USER MOD Single : A 16 THR OG1 : rot 99:sc= 0.41 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 24 SER OG : rot 97:sc= 1.14 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 37 TYR OH : rot -117:sc= 0.0223 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.228) USER MOD Single : A 40 THR OG1 : rot -83:sc= -0.0572 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 86:sc= 0.88 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0597 USER MOD Single : A 60 MET CE :methyl 179:sc= 0 (180deg=-0.00141) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 62 THR OG1 : rot -65:sc= -0.298 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 85:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 87.775 0.021 17.906 1.00 0.00 N ATOM 2 CA THR A 13 86.403 -0.538 17.778 1.00 0.00 C ATOM 3 C THR A 13 85.501 0.400 16.977 1.00 0.00 C ATOM 4 O THR A 13 85.396 0.279 15.756 1.00 0.00 O ATOM 5 CB THR A 13 85.842 -0.770 19.184 1.00 0.00 C ATOM 6 OG1 THR A 13 86.613 -1.735 19.877 1.00 0.00 O ATOM 7 CG2 THR A 13 84.404 -1.244 19.188 1.00 0.00 C ATOM 0 HA THR A 13 86.441 -1.483 17.237 1.00 0.00 H new ATOM 0 HB THR A 13 85.887 0.202 19.675 1.00 0.00 H new ATOM 0 HG1 THR A 13 87.547 -1.678 19.585 1.00 0.00 H new ATOM 0 HG21 THR A 13 84.071 -1.388 20.216 1.00 0.00 H new ATOM 0 HG22 THR A 13 83.774 -0.498 18.704 1.00 0.00 H new ATOM 0 HG23 THR A 13 84.330 -2.187 18.647 1.00 0.00 H new ATOM 15 N PHE A 14 84.858 1.341 17.665 1.00 0.00 N ATOM 16 CA PHE A 14 83.979 2.297 17.006 1.00 0.00 C ATOM 17 C PHE A 14 84.796 3.382 16.312 1.00 0.00 C ATOM 18 O PHE A 14 84.334 4.010 15.361 1.00 0.00 O ATOM 19 CB PHE A 14 83.020 2.926 18.021 1.00 0.00 C ATOM 20 CG PHE A 14 81.575 2.620 17.751 1.00 0.00 C ATOM 21 CD1 PHE A 14 81.102 1.320 17.826 1.00 0.00 C ATOM 22 CD2 PHE A 14 80.688 3.633 17.422 1.00 0.00 C ATOM 23 CE1 PHE A 14 79.773 1.036 17.576 1.00 0.00 C ATOM 24 CE2 PHE A 14 79.358 3.356 17.171 1.00 0.00 C ATOM 25 CZ PHE A 14 78.900 2.055 17.250 1.00 0.00 C ATOM 0 H PHE A 14 84.930 1.460 18.675 1.00 0.00 H new ATOM 0 HA PHE A 14 83.395 1.767 16.254 1.00 0.00 H new ATOM 0 HB2 PHE A 14 83.277 2.572 19.019 1.00 0.00 H new ATOM 0 HB3 PHE A 14 83.160 4.007 18.020 1.00 0.00 H new ATOM 0 HD1 PHE A 14 81.780 0.519 18.083 1.00 0.00 H new ATOM 0 HD2 PHE A 14 81.041 4.652 17.361 1.00 0.00 H new ATOM 0 HE1 PHE A 14 79.417 0.018 17.636 1.00 0.00 H new ATOM 0 HE2 PHE A 14 78.678 4.155 16.914 1.00 0.00 H new ATOM 0 HZ PHE A 14 77.860 1.835 17.057 1.00 0.00 H new ATOM 35 N LEU A 15 86.017 3.592 16.795 1.00 0.00 N ATOM 36 CA LEU A 15 86.904 4.596 16.221 1.00 0.00 C ATOM 37 C LEU A 15 87.662 4.029 15.024 1.00 0.00 C ATOM 38 O LEU A 15 88.044 4.766 14.114 1.00 0.00 O ATOM 39 CB LEU A 15 87.893 5.098 17.274 1.00 0.00 C ATOM 40 CG LEU A 15 88.840 4.032 17.833 1.00 0.00 C ATOM 41 CD1 LEU A 15 90.245 4.594 17.990 1.00 0.00 C ATOM 42 CD2 LEU A 15 88.324 3.507 19.165 1.00 0.00 C ATOM 0 H LEU A 15 86.414 3.080 17.583 1.00 0.00 H new ATOM 0 HA LEU A 15 86.293 5.432 15.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 88.489 5.899 16.838 1.00 0.00 H new ATOM 0 HB3 LEU A 15 87.331 5.533 18.101 1.00 0.00 H new ATOM 0 HG LEU A 15 88.879 3.203 17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 15 90.903 3.822 18.388 1.00 0.00 H new ATOM 0 HD12 LEU A 15 90.616 4.922 17.019 1.00 0.00 H new ATOM 0 HD13 LEU A 15 90.223 5.441 18.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 89.009 2.750 19.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 88.255 4.329 19.878 1.00 0.00 H new ATOM 0 HD23 LEU A 15 87.337 3.065 19.024 1.00 0.00 H new ATOM 54 N THR A 16 87.878 2.717 15.030 1.00 0.00 N ATOM 55 CA THR A 16 88.589 2.055 13.942 1.00 0.00 C ATOM 56 C THR A 16 87.733 2.004 12.685 1.00 0.00 C ATOM 57 O THR A 16 88.251 2.061 11.569 1.00 0.00 O ATOM 58 CB THR A 16 88.998 0.640 14.356 1.00 0.00 C ATOM 59 OG1 THR A 16 89.791 0.671 15.531 1.00 0.00 O ATOM 60 CG2 THR A 16 89.783 -0.091 13.291 1.00 0.00 C ATOM 0 H THR A 16 87.571 2.092 15.775 1.00 0.00 H new ATOM 0 HA THR A 16 89.487 2.634 13.724 1.00 0.00 H new ATOM 0 HB THR A 16 88.063 0.106 14.525 1.00 0.00 H new ATOM 0 HG1 THR A 16 89.232 0.463 16.309 1.00 0.00 H new ATOM 0 HG21 THR A 16 90.041 -1.088 13.649 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.179 -0.175 12.387 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.695 0.462 13.068 1.00 0.00 H new ATOM 68 N GLN A 17 86.419 1.903 12.866 1.00 0.00 N ATOM 69 CA GLN A 17 85.506 1.854 11.735 1.00 0.00 C ATOM 70 C GLN A 17 85.626 3.130 10.906 1.00 0.00 C ATOM 71 O GLN A 17 85.835 3.077 9.695 1.00 0.00 O ATOM 72 CB GLN A 17 84.061 1.642 12.218 1.00 0.00 C ATOM 73 CG GLN A 17 83.198 2.895 12.198 1.00 0.00 C ATOM 74 CD GLN A 17 81.717 2.588 12.310 1.00 0.00 C ATOM 75 OE1 GLN A 17 81.122 2.009 11.401 1.00 0.00 O ATOM 76 NE2 GLN A 17 81.115 2.974 13.429 1.00 0.00 N ATOM 0 H GLN A 17 85.968 1.854 13.780 1.00 0.00 H new ATOM 0 HA GLN A 17 85.775 1.009 11.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 83.591 0.882 11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 17 84.085 1.249 13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 17 83.493 3.547 13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 17 83.382 3.443 11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 17 81.648 3.451 14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 17 80.120 2.793 13.561 1.00 0.00 H new ATOM 85 N VAL A 18 85.505 4.277 11.572 1.00 0.00 N ATOM 86 CA VAL A 18 85.614 5.559 10.892 1.00 0.00 C ATOM 87 C VAL A 18 86.997 5.696 10.285 1.00 0.00 C ATOM 88 O VAL A 18 87.162 6.259 9.206 1.00 0.00 O ATOM 89 CB VAL A 18 85.366 6.758 11.831 1.00 0.00 C ATOM 90 CG1 VAL A 18 84.881 7.961 11.036 1.00 0.00 C ATOM 91 CG2 VAL A 18 84.370 6.403 12.927 1.00 0.00 C ATOM 0 H VAL A 18 85.333 4.342 12.575 1.00 0.00 H new ATOM 0 HA VAL A 18 84.843 5.574 10.122 1.00 0.00 H new ATOM 0 HB VAL A 18 86.311 7.013 12.310 1.00 0.00 H new ATOM 0 HG11 VAL A 18 84.710 8.799 11.712 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.634 8.237 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 83.950 7.710 10.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 84.216 7.268 13.573 1.00 0.00 H new ATOM 0 HG22 VAL A 18 83.421 6.113 12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 84.759 5.574 13.518 1.00 0.00 H new ATOM 101 N LYS A 19 87.991 5.152 10.982 1.00 0.00 N ATOM 102 CA LYS A 19 89.361 5.192 10.500 1.00 0.00 C ATOM 103 C LYS A 19 89.436 4.580 9.107 1.00 0.00 C ATOM 104 O LYS A 19 90.320 4.913 8.317 1.00 0.00 O ATOM 105 CB LYS A 19 90.293 4.448 11.461 1.00 0.00 C ATOM 106 CG LYS A 19 91.410 5.315 12.017 1.00 0.00 C ATOM 107 CD LYS A 19 90.943 6.128 13.213 1.00 0.00 C ATOM 108 CE LYS A 19 91.863 7.308 13.480 1.00 0.00 C ATOM 109 NZ LYS A 19 92.836 7.019 14.569 1.00 0.00 N ATOM 0 H LYS A 19 87.870 4.681 11.879 1.00 0.00 H new ATOM 0 HA LYS A 19 89.685 6.231 10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 19 89.706 4.051 12.289 1.00 0.00 H new ATOM 0 HB3 LYS A 19 90.730 3.595 10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 19 92.249 4.685 12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 91.772 5.987 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 19 89.930 6.489 13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 19 90.904 5.489 14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 92.404 7.560 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 91.266 8.180 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 93.445 7.849 14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 92.321 6.803 15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 93.423 6.203 14.302 1.00 0.00 H new ATOM 123 N GLU A 20 88.487 3.696 8.807 1.00 0.00 N ATOM 124 CA GLU A 20 88.433 3.057 7.500 1.00 0.00 C ATOM 125 C GLU A 20 87.854 4.021 6.468 1.00 0.00 C ATOM 126 O GLU A 20 88.088 3.879 5.268 1.00 0.00 O ATOM 127 CB GLU A 20 87.588 1.784 7.560 1.00 0.00 C ATOM 128 CG GLU A 20 88.087 0.770 8.576 1.00 0.00 C ATOM 129 CD GLU A 20 87.459 -0.599 8.391 1.00 0.00 C ATOM 130 OE1 GLU A 20 87.504 -1.124 7.260 1.00 0.00 O ATOM 131 OE2 GLU A 20 86.923 -1.143 9.379 1.00 0.00 O ATOM 0 H GLU A 20 87.749 3.409 9.450 1.00 0.00 H new ATOM 0 HA GLU A 20 89.447 2.787 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 20 86.559 2.052 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.574 1.321 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 20 89.170 0.683 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 87.871 1.132 9.581 1.00 0.00 H new ATOM 138 N SER A 21 87.096 5.003 6.950 1.00 0.00 N ATOM 139 CA SER A 21 86.479 5.997 6.088 1.00 0.00 C ATOM 140 C SER A 21 87.304 7.278 6.056 1.00 0.00 C ATOM 141 O SER A 21 87.685 7.753 4.986 1.00 0.00 O ATOM 142 CB SER A 21 85.074 6.310 6.584 1.00 0.00 C ATOM 143 OG SER A 21 84.096 5.948 5.624 1.00 0.00 O ATOM 0 H SER A 21 86.896 5.128 7.942 1.00 0.00 H new ATOM 0 HA SER A 21 86.431 5.590 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.887 5.776 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.993 7.374 6.805 1.00 0.00 H new ATOM 0 HG SER A 21 83.204 6.159 5.970 1.00 0.00 H new ATOM 149 N LEU A 22 87.585 7.834 7.235 1.00 0.00 N ATOM 150 CA LEU A 22 88.373 9.058 7.324 1.00 0.00 C ATOM 151 C LEU A 22 89.761 8.841 6.733 1.00 0.00 C ATOM 152 O LEU A 22 90.456 9.796 6.383 1.00 0.00 O ATOM 153 CB LEU A 22 88.487 9.518 8.778 1.00 0.00 C ATOM 154 CG LEU A 22 89.297 8.591 9.685 1.00 0.00 C ATOM 155 CD1 LEU A 22 90.710 9.124 9.868 1.00 0.00 C ATOM 156 CD2 LEU A 22 88.610 8.426 11.033 1.00 0.00 C ATOM 0 H LEU A 22 87.281 7.458 8.133 1.00 0.00 H new ATOM 0 HA LEU A 22 87.866 9.834 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 88.942 10.508 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 87.484 9.621 9.191 1.00 0.00 H new ATOM 0 HG LEU A 22 89.357 7.612 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 91.271 8.451 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 91.203 9.189 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 22 90.669 10.115 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 89.202 7.763 11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 88.517 9.399 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 87.618 7.998 10.886 1.00 0.00 H new ATOM 168 N SER A 23 90.155 7.578 6.619 1.00 0.00 N ATOM 169 CA SER A 23 91.455 7.226 6.065 1.00 0.00 C ATOM 170 C SER A 23 91.307 6.456 4.753 1.00 0.00 C ATOM 171 O SER A 23 92.303 6.096 4.125 1.00 0.00 O ATOM 172 CB SER A 23 92.252 6.394 7.070 1.00 0.00 C ATOM 173 OG SER A 23 93.635 6.691 6.995 1.00 0.00 O ATOM 0 H SER A 23 89.590 6.778 6.904 1.00 0.00 H new ATOM 0 HA SER A 23 91.993 8.152 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 23 91.889 6.591 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 23 92.094 5.333 6.875 1.00 0.00 H new ATOM 0 HG SER A 23 94.122 6.147 7.649 1.00 0.00 H new ATOM 179 N SER A 24 90.065 6.203 4.339 1.00 0.00 N ATOM 180 CA SER A 24 89.818 5.475 3.099 1.00 0.00 C ATOM 181 C SER A 24 90.426 6.199 1.903 1.00 0.00 C ATOM 182 O SER A 24 90.679 5.593 0.862 1.00 0.00 O ATOM 183 CB SER A 24 88.315 5.276 2.885 1.00 0.00 C ATOM 184 OG SER A 24 87.992 3.900 2.789 1.00 0.00 O ATOM 0 H SER A 24 89.224 6.489 4.840 1.00 0.00 H new ATOM 0 HA SER A 24 90.296 4.499 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 24 87.764 5.725 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 24 88.002 5.790 1.976 1.00 0.00 H new ATOM 0 HG SER A 24 87.692 3.573 3.663 1.00 0.00 H new ATOM 190 N TYR A 25 90.675 7.493 2.062 1.00 0.00 N ATOM 191 CA TYR A 25 91.273 8.290 1.000 1.00 0.00 C ATOM 192 C TYR A 25 92.779 8.379 1.198 1.00 0.00 C ATOM 193 O TYR A 25 93.521 8.726 0.278 1.00 0.00 O ATOM 194 CB TYR A 25 90.659 9.690 0.965 1.00 0.00 C ATOM 195 CG TYR A 25 89.475 9.809 0.030 1.00 0.00 C ATOM 196 CD1 TYR A 25 89.641 9.712 -1.346 1.00 0.00 C ATOM 197 CD2 TYR A 25 88.193 10.019 0.524 1.00 0.00 C ATOM 198 CE1 TYR A 25 88.562 9.821 -2.204 1.00 0.00 C ATOM 199 CE2 TYR A 25 87.110 10.128 -0.327 1.00 0.00 C ATOM 200 CZ TYR A 25 87.300 10.028 -1.689 1.00 0.00 C ATOM 201 OH TYR A 25 86.224 10.137 -2.540 1.00 0.00 O ATOM 0 H TYR A 25 90.472 8.012 2.916 1.00 0.00 H new ATOM 0 HA TYR A 25 91.070 7.803 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 25 90.345 9.965 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 25 91.424 10.406 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 25 90.628 9.549 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 25 88.041 10.098 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 25 88.707 9.744 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 25 86.120 10.291 0.073 1.00 0.00 H new ATOM 0 HH TYR A 25 85.407 10.280 -2.018 1.00 0.00 H new ATOM 211 N TRP A 26 93.226 8.034 2.401 1.00 0.00 N ATOM 212 CA TRP A 26 94.644 8.043 2.720 1.00 0.00 C ATOM 213 C TRP A 26 95.228 6.665 2.453 1.00 0.00 C ATOM 214 O TRP A 26 96.414 6.521 2.159 1.00 0.00 O ATOM 215 CB TRP A 26 94.867 8.442 4.180 1.00 0.00 C ATOM 216 CG TRP A 26 96.313 8.482 4.571 1.00 0.00 C ATOM 217 CD1 TRP A 26 97.042 7.469 5.125 1.00 0.00 C ATOM 218 CD2 TRP A 26 97.207 9.593 4.439 1.00 0.00 C ATOM 219 NE1 TRP A 26 98.333 7.882 5.346 1.00 0.00 N ATOM 220 CE2 TRP A 26 98.460 9.182 4.933 1.00 0.00 C ATOM 221 CE3 TRP A 26 97.071 10.896 3.951 1.00 0.00 C ATOM 222 CZ2 TRP A 26 99.567 10.027 4.953 1.00 0.00 C ATOM 223 CZ3 TRP A 26 98.170 11.734 3.971 1.00 0.00 C ATOM 224 CH2 TRP A 26 99.404 11.296 4.468 1.00 0.00 C ATOM 0 H TRP A 26 92.623 7.744 3.171 1.00 0.00 H new ATOM 0 HA TRP A 26 95.146 8.777 2.090 1.00 0.00 H new ATOM 0 HB2 TRP A 26 94.424 9.423 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 26 94.343 7.737 4.826 1.00 0.00 H new ATOM 0 HD1 TRP A 26 96.659 6.486 5.356 1.00 0.00 H new ATOM 0 HE1 TRP A 26 99.076 7.313 5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.123 11.242 3.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.519 9.693 5.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.076 12.743 3.597 1.00 0.00 H new ATOM 0 HH2 TRP A 26 100.245 11.974 4.468 1.00 0.00 H new ATOM 235 N GLU A 27 94.369 5.652 2.539 1.00 0.00 N ATOM 236 CA GLU A 27 94.779 4.280 2.288 1.00 0.00 C ATOM 237 C GLU A 27 94.700 3.969 0.798 1.00 0.00 C ATOM 238 O GLU A 27 95.341 3.036 0.313 1.00 0.00 O ATOM 239 CB GLU A 27 93.904 3.305 3.078 1.00 0.00 C ATOM 240 CG GLU A 27 94.660 2.090 3.591 1.00 0.00 C ATOM 241 CD GLU A 27 94.249 1.700 4.998 1.00 0.00 C ATOM 242 OE1 GLU A 27 93.851 2.596 5.770 1.00 0.00 O ATOM 243 OE2 GLU A 27 94.327 0.497 5.326 1.00 0.00 O ATOM 0 H GLU A 27 93.384 5.760 2.781 1.00 0.00 H new ATOM 0 HA GLU A 27 95.812 4.163 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 93.461 3.831 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 27 93.083 2.971 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 27 94.487 1.249 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.730 2.298 3.573 1.00 0.00 H new ATOM 250 N SER A 28 93.918 4.765 0.075 1.00 0.00 N ATOM 251 CA SER A 28 93.763 4.584 -1.360 1.00 0.00 C ATOM 252 C SER A 28 94.939 5.200 -2.095 1.00 0.00 C ATOM 253 O SER A 28 95.516 4.591 -2.995 1.00 0.00 O ATOM 254 CB SER A 28 92.460 5.220 -1.832 1.00 0.00 C ATOM 255 OG SER A 28 91.997 4.619 -3.030 1.00 0.00 O ATOM 0 H SER A 28 93.382 5.542 0.462 1.00 0.00 H new ATOM 0 HA SER A 28 93.733 3.516 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 91.702 5.119 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.611 6.287 -1.993 1.00 0.00 H new ATOM 0 HG SER A 28 91.160 5.046 -3.308 1.00 0.00 H new ATOM 261 N ALA A 29 95.297 6.410 -1.693 1.00 0.00 N ATOM 262 CA ALA A 29 96.421 7.110 -2.302 1.00 0.00 C ATOM 263 C ALA A 29 97.664 6.228 -2.291 1.00 0.00 C ATOM 264 O ALA A 29 98.544 6.364 -3.141 1.00 0.00 O ATOM 265 CB ALA A 29 96.688 8.420 -1.576 1.00 0.00 C ATOM 0 H ALA A 29 94.828 6.928 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 29 96.169 7.337 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 97.530 8.930 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 29 95.803 9.054 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.922 8.216 -0.531 1.00 0.00 H new ATOM 271 N LYS A 30 97.720 5.315 -1.325 1.00 0.00 N ATOM 272 CA LYS A 30 98.842 4.398 -1.204 1.00 0.00 C ATOM 273 C LYS A 30 98.556 3.098 -1.950 1.00 0.00 C ATOM 274 O LYS A 30 99.477 2.417 -2.402 1.00 0.00 O ATOM 275 CB LYS A 30 99.133 4.104 0.269 1.00 0.00 C ATOM 276 CG LYS A 30 99.823 5.248 0.993 1.00 0.00 C ATOM 277 CD LYS A 30 101.332 5.069 1.007 1.00 0.00 C ATOM 278 CE LYS A 30 102.013 6.141 1.842 1.00 0.00 C ATOM 279 NZ LYS A 30 103.477 6.207 1.576 1.00 0.00 N ATOM 0 H LYS A 30 96.998 5.193 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 30 99.718 4.869 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.196 3.876 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 30 99.757 3.213 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 30 99.572 6.191 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 30 99.453 5.308 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 30 101.579 4.085 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 30 101.713 5.105 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 101.561 7.110 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 30 101.845 5.938 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 103.904 6.950 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 103.913 5.291 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 103.638 6.426 0.572 1.00 0.00 H new ATOM 293 N THR A 31 97.274 2.758 -2.081 1.00 0.00 N ATOM 294 CA THR A 31 96.882 1.540 -2.780 1.00 0.00 C ATOM 295 C THR A 31 96.926 1.745 -4.292 1.00 0.00 C ATOM 296 O THR A 31 97.110 0.794 -5.052 1.00 0.00 O ATOM 297 CB THR A 31 95.483 1.090 -2.332 1.00 0.00 C ATOM 298 OG1 THR A 31 95.363 -0.319 -2.411 1.00 0.00 O ATOM 299 CG2 THR A 31 94.351 1.688 -3.144 1.00 0.00 C ATOM 0 H THR A 31 96.496 3.306 -1.714 1.00 0.00 H new ATOM 0 HA THR A 31 97.593 0.754 -2.525 1.00 0.00 H new ATOM 0 HB THR A 31 95.391 1.447 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.466 -0.588 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.397 1.321 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.379 2.775 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 31 94.461 1.399 -4.189 1.00 0.00 H new ATOM 307 N ALA A 32 96.762 2.994 -4.724 1.00 0.00 N ATOM 308 CA ALA A 32 96.790 3.317 -6.147 1.00 0.00 C ATOM 309 C ALA A 32 98.129 3.922 -6.557 1.00 0.00 C ATOM 310 O ALA A 32 98.294 4.368 -7.692 1.00 0.00 O ATOM 311 CB ALA A 32 95.650 4.264 -6.495 1.00 0.00 C ATOM 0 H ALA A 32 96.609 3.795 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 32 96.662 2.388 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 32 95.682 4.497 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 94.698 3.790 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.752 5.184 -5.919 1.00 0.00 H new ATOM 317 N ALA A 33 99.086 3.929 -5.634 1.00 0.00 N ATOM 318 CA ALA A 33 100.409 4.468 -5.916 1.00 0.00 C ATOM 319 C ALA A 33 101.411 3.340 -6.109 1.00 0.00 C ATOM 320 O ALA A 33 102.302 3.422 -6.955 1.00 0.00 O ATOM 321 CB ALA A 33 100.856 5.397 -4.796 1.00 0.00 C ATOM 0 H ALA A 33 98.969 3.568 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 33 100.359 5.045 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 33 101.847 5.791 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 33 100.150 6.222 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 33 100.892 4.844 -3.857 1.00 0.00 H new ATOM 327 N GLN A 34 101.247 2.278 -5.328 1.00 0.00 N ATOM 328 CA GLN A 34 102.126 1.121 -5.421 1.00 0.00 C ATOM 329 C GLN A 34 101.814 0.312 -6.676 1.00 0.00 C ATOM 330 O GLN A 34 102.643 -0.466 -7.147 1.00 0.00 O ATOM 331 CB GLN A 34 101.981 0.240 -4.179 1.00 0.00 C ATOM 332 CG GLN A 34 103.284 -0.407 -3.736 1.00 0.00 C ATOM 333 CD GLN A 34 103.915 0.303 -2.555 1.00 0.00 C ATOM 334 OE1 GLN A 34 104.188 -0.310 -1.522 1.00 0.00 O ATOM 335 NE2 GLN A 34 104.151 1.601 -2.701 1.00 0.00 N ATOM 0 H GLN A 34 100.513 2.196 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 34 103.155 1.476 -5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 34 101.588 0.843 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 34 101.248 -0.541 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 34 103.097 -1.448 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 34 103.986 -0.411 -4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 34 103.909 2.068 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 34 104.575 2.131 -1.940 1.00 0.00 H new ATOM 344 N ASN A 35 100.613 0.507 -7.216 1.00 0.00 N ATOM 345 CA ASN A 35 100.190 -0.195 -8.418 1.00 0.00 C ATOM 346 C ASN A 35 100.866 0.395 -9.648 1.00 0.00 C ATOM 347 O ASN A 35 101.565 -0.303 -10.383 1.00 0.00 O ATOM 348 CB ASN A 35 98.674 -0.099 -8.568 1.00 0.00 C ATOM 349 CG ASN A 35 98.084 -1.294 -9.290 1.00 0.00 C ATOM 350 OD1 ASN A 35 97.338 -2.080 -8.705 1.00 0.00 O ATOM 351 ND2 ASN A 35 98.417 -1.438 -10.567 1.00 0.00 N ATOM 0 H ASN A 35 99.916 1.148 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 35 100.480 -1.242 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 35 98.219 -0.014 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 35 98.423 0.811 -9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 35 98.051 -2.224 -11.104 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.038 -0.762 -11.011 1.00 0.00 H new ATOM 358 N LEU A 36 100.653 1.688 -9.861 1.00 0.00 N ATOM 359 CA LEU A 36 101.242 2.381 -11.003 1.00 0.00 C ATOM 360 C LEU A 36 102.763 2.390 -10.901 1.00 0.00 C ATOM 361 O LEU A 36 103.464 2.157 -11.885 1.00 0.00 O ATOM 362 CB LEU A 36 100.720 3.817 -11.093 1.00 0.00 C ATOM 363 CG LEU A 36 99.248 4.002 -10.717 1.00 0.00 C ATOM 364 CD1 LEU A 36 98.805 5.430 -10.988 1.00 0.00 C ATOM 365 CD2 LEU A 36 98.375 3.016 -11.480 1.00 0.00 C ATOM 0 H LEU A 36 100.078 2.278 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 36 100.952 1.844 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 101.326 4.448 -10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.866 4.176 -12.112 1.00 0.00 H new ATOM 0 HG LEU A 36 99.137 3.805 -9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 36 97.756 5.544 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 36 99.410 6.117 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 36 98.931 5.655 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 36 97.332 3.162 -11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 36 98.490 3.181 -12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 98.677 1.998 -11.236 1.00 0.00 H new ATOM 377 N TYR A 37 103.265 2.660 -9.701 1.00 0.00 N ATOM 378 CA TYR A 37 104.705 2.700 -9.466 1.00 0.00 C ATOM 379 C TYR A 37 105.329 1.313 -9.605 1.00 0.00 C ATOM 380 O TYR A 37 106.550 1.180 -9.688 1.00 0.00 O ATOM 381 CB TYR A 37 105.001 3.268 -8.077 1.00 0.00 C ATOM 382 CG TYR A 37 106.450 3.653 -7.878 1.00 0.00 C ATOM 383 CD1 TYR A 37 106.929 4.880 -8.317 1.00 0.00 C ATOM 384 CD2 TYR A 37 107.338 2.787 -7.251 1.00 0.00 C ATOM 385 CE1 TYR A 37 108.253 5.235 -8.138 1.00 0.00 C ATOM 386 CE2 TYR A 37 108.663 3.135 -7.067 1.00 0.00 C ATOM 387 CZ TYR A 37 109.116 4.359 -7.512 1.00 0.00 C ATOM 388 OH TYR A 37 110.435 4.708 -7.331 1.00 0.00 O ATOM 0 H TYR A 37 102.697 2.854 -8.876 1.00 0.00 H new ATOM 0 HA TYR A 37 105.148 3.349 -10.221 1.00 0.00 H new ATOM 0 HB2 TYR A 37 104.375 4.144 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 37 104.723 2.530 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 37 106.256 5.569 -8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 37 106.987 1.827 -6.902 1.00 0.00 H new ATOM 0 HE1 TYR A 37 108.610 6.193 -8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 37 109.340 2.451 -6.577 1.00 0.00 H new ATOM 0 HH TYR A 37 111.009 4.087 -7.827 1.00 0.00 H new ATOM 398 N GLU A 38 104.489 0.285 -9.632 1.00 0.00 N ATOM 399 CA GLU A 38 104.965 -1.087 -9.763 1.00 0.00 C ATOM 400 C GLU A 38 105.159 -1.460 -11.231 1.00 0.00 C ATOM 401 O GLU A 38 105.947 -2.347 -11.555 1.00 0.00 O ATOM 402 CB GLU A 38 103.981 -2.058 -9.104 1.00 0.00 C ATOM 403 CG GLU A 38 104.395 -2.485 -7.705 1.00 0.00 C ATOM 404 CD GLU A 38 105.388 -3.630 -7.715 1.00 0.00 C ATOM 405 OE1 GLU A 38 106.497 -3.450 -8.261 1.00 0.00 O ATOM 406 OE2 GLU A 38 105.056 -4.708 -7.177 1.00 0.00 O ATOM 0 H GLU A 38 103.475 0.375 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 38 105.928 -1.159 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 38 102.998 -1.590 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 103.882 -2.944 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 38 104.833 -1.634 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 38 103.510 -2.782 -7.143 1.00 0.00 H new ATOM 413 N LYS A 39 104.434 -0.779 -12.113 1.00 0.00 N ATOM 414 CA LYS A 39 104.530 -1.043 -13.543 1.00 0.00 C ATOM 415 C LYS A 39 105.232 0.101 -14.269 1.00 0.00 C ATOM 416 O LYS A 39 105.037 0.299 -15.468 1.00 0.00 O ATOM 417 CB LYS A 39 103.136 -1.259 -14.136 1.00 0.00 C ATOM 418 CG LYS A 39 103.089 -2.339 -15.205 1.00 0.00 C ATOM 419 CD LYS A 39 101.766 -3.085 -15.183 1.00 0.00 C ATOM 420 CE LYS A 39 100.644 -2.245 -15.771 1.00 0.00 C ATOM 421 NZ LYS A 39 99.956 -1.429 -14.731 1.00 0.00 N ATOM 0 H LYS A 39 103.775 -0.042 -11.863 1.00 0.00 H new ATOM 0 HA LYS A 39 105.122 -1.948 -13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 102.446 -1.523 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 39 102.783 -0.321 -14.564 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.238 -1.888 -16.186 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.907 -3.042 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 39 101.861 -4.013 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 101.518 -3.359 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.048 -1.587 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 39 99.919 -2.897 -16.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 99.039 -1.101 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 99.803 -2.008 -13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 100.545 -0.607 -14.488 1.00 0.00 H new ATOM 435 N THR A 40 106.050 0.854 -13.537 1.00 0.00 N ATOM 436 CA THR A 40 106.776 1.977 -14.120 1.00 0.00 C ATOM 437 C THR A 40 108.244 1.952 -13.715 1.00 0.00 C ATOM 438 O THR A 40 109.133 2.160 -14.542 1.00 0.00 O ATOM 439 CB THR A 40 106.141 3.301 -13.693 1.00 0.00 C ATOM 440 OG1 THR A 40 105.938 3.331 -12.293 1.00 0.00 O ATOM 441 CG2 THR A 40 104.806 3.566 -14.356 1.00 0.00 C ATOM 0 H THR A 40 106.226 0.707 -12.543 1.00 0.00 H new ATOM 0 HA THR A 40 106.718 1.886 -15.205 1.00 0.00 H new ATOM 0 HB THR A 40 106.844 4.073 -14.007 1.00 0.00 H new ATOM 0 HG1 THR A 40 105.101 2.871 -12.074 1.00 0.00 H new ATOM 0 HG21 THR A 40 104.411 4.521 -14.009 1.00 0.00 H new ATOM 0 HG22 THR A 40 104.937 3.599 -15.438 1.00 0.00 H new ATOM 0 HG23 THR A 40 104.108 2.769 -14.099 1.00 0.00 H new ATOM 449 N TYR A 41 108.492 1.698 -12.437 1.00 0.00 N ATOM 450 CA TYR A 41 109.853 1.649 -11.915 1.00 0.00 C ATOM 451 C TYR A 41 110.229 0.229 -11.506 1.00 0.00 C ATOM 452 O TYR A 41 110.998 0.026 -10.568 1.00 0.00 O ATOM 453 CB TYR A 41 109.993 2.588 -10.718 1.00 0.00 C ATOM 454 CG TYR A 41 111.425 2.946 -10.391 1.00 0.00 C ATOM 455 CD1 TYR A 41 112.072 3.979 -11.058 1.00 0.00 C ATOM 456 CD2 TYR A 41 112.129 2.253 -9.415 1.00 0.00 C ATOM 457 CE1 TYR A 41 113.381 4.310 -10.763 1.00 0.00 C ATOM 458 CE2 TYR A 41 113.438 2.578 -9.113 1.00 0.00 C ATOM 459 CZ TYR A 41 114.059 3.606 -9.789 1.00 0.00 C ATOM 460 OH TYR A 41 115.362 3.933 -9.492 1.00 0.00 O ATOM 0 H TYR A 41 107.768 1.522 -11.741 1.00 0.00 H new ATOM 0 HA TYR A 41 110.531 1.971 -12.705 1.00 0.00 H new ATOM 0 HB2 TYR A 41 109.436 3.503 -10.918 1.00 0.00 H new ATOM 0 HB3 TYR A 41 109.536 2.121 -9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 41 111.543 4.533 -11.820 1.00 0.00 H new ATOM 0 HD2 TYR A 41 111.646 1.447 -8.883 1.00 0.00 H new ATOM 0 HE1 TYR A 41 113.870 5.115 -11.292 1.00 0.00 H new ATOM 0 HE2 TYR A 41 113.972 2.029 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 41 115.694 3.343 -8.783 1.00 0.00 H new ATOM 470 N LEU A 42 109.681 -0.747 -12.218 1.00 0.00 N ATOM 471 CA LEU A 42 109.956 -2.151 -11.935 1.00 0.00 C ATOM 472 C LEU A 42 111.352 -2.543 -12.422 1.00 0.00 C ATOM 473 O LEU A 42 111.607 -2.575 -13.625 1.00 0.00 O ATOM 474 CB LEU A 42 108.906 -3.040 -12.603 1.00 0.00 C ATOM 475 CG LEU A 42 108.806 -4.459 -12.039 1.00 0.00 C ATOM 476 CD1 LEU A 42 107.794 -4.512 -10.906 1.00 0.00 C ATOM 477 CD2 LEU A 42 108.431 -5.442 -13.139 1.00 0.00 C ATOM 0 H LEU A 42 109.042 -0.592 -12.998 1.00 0.00 H new ATOM 0 HA LEU A 42 109.913 -2.293 -10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 42 107.932 -2.559 -12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 109.130 -3.103 -13.668 1.00 0.00 H new ATOM 0 HG LEU A 42 109.780 -4.743 -11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 42 107.736 -5.529 -10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 108.104 -3.836 -10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 42 106.815 -4.210 -11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 108.364 -6.447 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 42 107.468 -5.161 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 109.192 -5.423 -13.919 1.00 0.00 H new ATOM 489 N PRO A 43 112.277 -2.851 -11.494 1.00 0.00 N ATOM 490 CA PRO A 43 113.639 -3.239 -11.849 1.00 0.00 C ATOM 491 C PRO A 43 113.743 -4.709 -12.252 1.00 0.00 C ATOM 492 O PRO A 43 114.221 -5.030 -13.340 1.00 0.00 O ATOM 493 CB PRO A 43 114.423 -2.970 -10.566 1.00 0.00 C ATOM 494 CG PRO A 43 113.435 -3.132 -9.458 1.00 0.00 C ATOM 495 CD PRO A 43 112.069 -2.842 -10.033 1.00 0.00 C ATOM 0 HA PRO A 43 114.010 -2.690 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 43 115.253 -3.669 -10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 43 114.850 -1.967 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 43 113.475 -4.143 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 43 113.660 -2.450 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 43 111.342 -3.596 -9.730 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.690 -1.879 -9.691 1.00 0.00 H new ATOM 503 N ALA A 44 113.292 -5.598 -11.370 1.00 0.00 N ATOM 504 CA ALA A 44 113.334 -7.033 -11.638 1.00 0.00 C ATOM 505 C ALA A 44 112.828 -7.836 -10.447 1.00 0.00 C ATOM 506 O ALA A 44 113.278 -8.957 -10.212 1.00 0.00 O ATOM 507 CB ALA A 44 114.747 -7.464 -12.001 1.00 0.00 C ATOM 0 H ALA A 44 112.894 -5.350 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 44 112.674 -7.233 -12.482 1.00 0.00 H new ATOM 0 HB1 ALA A 44 114.761 -8.536 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 44 115.074 -6.927 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 44 115.420 -7.238 -11.174 1.00 0.00 H new ATOM 513 N VAL A 45 111.880 -7.272 -9.708 1.00 0.00 N ATOM 514 CA VAL A 45 111.313 -7.961 -8.557 1.00 0.00 C ATOM 515 C VAL A 45 110.386 -9.074 -9.026 1.00 0.00 C ATOM 516 O VAL A 45 110.238 -10.098 -8.361 1.00 0.00 O ATOM 517 CB VAL A 45 110.526 -7.010 -7.638 1.00 0.00 C ATOM 518 CG1 VAL A 45 110.472 -7.562 -6.222 1.00 0.00 C ATOM 519 CG2 VAL A 45 111.128 -5.612 -7.648 1.00 0.00 C ATOM 0 H VAL A 45 111.490 -6.346 -9.884 1.00 0.00 H new ATOM 0 HA VAL A 45 112.146 -8.371 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 45 109.508 -6.937 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 45 109.912 -6.877 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 45 109.980 -8.535 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 45 111.485 -7.670 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 45 110.551 -4.963 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 45 112.160 -5.658 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 45 111.105 -5.213 -8.662 1.00 0.00 H new ATOM 529 N ASP A 46 109.775 -8.869 -10.189 1.00 0.00 N ATOM 530 CA ASP A 46 108.877 -9.859 -10.762 1.00 0.00 C ATOM 531 C ASP A 46 109.674 -11.046 -11.293 1.00 0.00 C ATOM 532 O ASP A 46 109.162 -12.162 -11.381 1.00 0.00 O ATOM 533 CB ASP A 46 108.047 -9.240 -11.888 1.00 0.00 C ATOM 534 CG ASP A 46 106.924 -10.149 -12.346 1.00 0.00 C ATOM 535 OD1 ASP A 46 107.222 -11.244 -12.867 1.00 0.00 O ATOM 536 OD2 ASP A 46 105.746 -9.767 -12.184 1.00 0.00 O ATOM 0 H ASP A 46 109.887 -8.025 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 46 108.201 -10.207 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.628 -8.293 -11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 46 108.697 -9.016 -12.734 1.00 0.00 H new ATOM 541 N GLU A 47 110.937 -10.796 -11.637 1.00 0.00 N ATOM 542 CA GLU A 47 111.810 -11.845 -12.150 1.00 0.00 C ATOM 543 C GLU A 47 112.919 -12.166 -11.151 1.00 0.00 C ATOM 544 O GLU A 47 113.948 -12.736 -11.512 1.00 0.00 O ATOM 545 CB GLU A 47 112.419 -11.423 -13.488 1.00 0.00 C ATOM 546 CG GLU A 47 111.583 -11.829 -14.692 1.00 0.00 C ATOM 547 CD GLU A 47 110.456 -10.855 -14.974 1.00 0.00 C ATOM 548 OE1 GLU A 47 109.646 -10.603 -14.057 1.00 0.00 O ATOM 549 OE2 GLU A 47 110.384 -10.344 -16.111 1.00 0.00 O ATOM 0 H GLU A 47 111.375 -9.878 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 47 111.209 -12.742 -12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 47 112.548 -10.341 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 47 113.412 -11.863 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 47 112.226 -11.899 -15.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 111.166 -12.822 -14.522 1.00 0.00 H new ATOM 556 N LYS A 48 112.702 -11.796 -9.891 1.00 0.00 N ATOM 557 CA LYS A 48 113.680 -12.041 -8.839 1.00 0.00 C ATOM 558 C LYS A 48 113.018 -12.051 -7.469 1.00 0.00 C ATOM 559 O LYS A 48 113.184 -12.998 -6.702 1.00 0.00 O ATOM 560 CB LYS A 48 114.784 -10.983 -8.875 1.00 0.00 C ATOM 561 CG LYS A 48 115.461 -10.852 -10.230 1.00 0.00 C ATOM 562 CD LYS A 48 116.647 -9.905 -10.172 1.00 0.00 C ATOM 563 CE LYS A 48 117.656 -10.208 -11.267 1.00 0.00 C ATOM 564 NZ LYS A 48 118.659 -9.118 -11.416 1.00 0.00 N ATOM 0 H LYS A 48 111.855 -11.324 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 48 114.122 -13.021 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.360 -10.018 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.536 -11.230 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.794 -11.833 -10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.741 -10.490 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 116.298 -8.877 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 48 117.130 -9.985 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 118.168 -11.143 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 48 117.133 -10.352 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 119.329 -9.364 -12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 118.174 -8.230 -11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 119.176 -8.998 -10.522 1.00 0.00 H new ATOM 578 N LEU A 49 112.269 -10.992 -7.162 1.00 0.00 N ATOM 579 CA LEU A 49 111.590 -10.888 -5.872 1.00 0.00 C ATOM 580 C LEU A 49 112.526 -11.310 -4.742 1.00 0.00 C ATOM 581 O LEU A 49 112.176 -12.143 -3.907 1.00 0.00 O ATOM 582 CB LEU A 49 110.329 -11.754 -5.863 1.00 0.00 C ATOM 583 CG LEU A 49 109.173 -11.206 -5.025 1.00 0.00 C ATOM 584 CD1 LEU A 49 107.842 -11.727 -5.543 1.00 0.00 C ATOM 585 CD2 LEU A 49 109.358 -11.573 -3.560 1.00 0.00 C ATOM 0 H LEU A 49 112.118 -10.199 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 49 111.302 -9.848 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.986 -11.880 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 49 110.590 -12.745 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 49 109.171 -10.119 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 49 107.032 -11.326 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 49 107.707 -11.414 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 49 107.832 -12.816 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 49 108.527 -11.175 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 49 109.387 -12.658 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 49 110.293 -11.149 -3.194 1.00 0.00 H new ATOM 597 N ARG A 50 113.729 -10.738 -4.745 1.00 0.00 N ATOM 598 CA ARG A 50 114.742 -11.051 -3.743 1.00 0.00 C ATOM 599 C ARG A 50 114.969 -12.558 -3.643 1.00 0.00 C ATOM 600 O ARG A 50 115.231 -13.086 -2.562 1.00 0.00 O ATOM 601 CB ARG A 50 114.356 -10.471 -2.374 1.00 0.00 C ATOM 602 CG ARG A 50 113.210 -11.197 -1.685 1.00 0.00 C ATOM 603 CD ARG A 50 113.285 -11.050 -0.173 1.00 0.00 C ATOM 604 NE ARG A 50 112.194 -10.233 0.354 1.00 0.00 N ATOM 605 CZ ARG A 50 112.179 -8.902 0.316 1.00 0.00 C ATOM 606 NH1 ARG A 50 113.189 -8.235 -0.228 1.00 0.00 N ATOM 607 NH2 ARG A 50 111.149 -8.237 0.823 1.00 0.00 N ATOM 0 H ARG A 50 114.026 -10.050 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 50 115.677 -10.588 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 50 115.230 -10.496 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 50 114.083 -9.423 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.260 -10.801 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 50 113.236 -12.254 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.254 -12.037 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 50 114.239 -10.600 0.100 1.00 0.00 H new ATOM 0 HE ARG A 50 111.397 -10.710 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.983 -8.742 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 50 113.172 -7.215 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 50 110.370 -8.745 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 50 111.136 -7.217 0.795 1.00 0.00 H new ATOM 621 N ASP A 51 114.865 -13.246 -4.779 1.00 0.00 N ATOM 622 CA ASP A 51 115.061 -14.692 -4.814 1.00 0.00 C ATOM 623 C ASP A 51 116.189 -15.069 -5.769 1.00 0.00 C ATOM 624 O ASP A 51 116.946 -16.003 -5.509 1.00 0.00 O ATOM 625 CB ASP A 51 113.767 -15.393 -5.231 1.00 0.00 C ATOM 626 CG ASP A 51 113.633 -16.772 -4.614 1.00 0.00 C ATOM 627 OD1 ASP A 51 113.523 -16.858 -3.373 1.00 0.00 O ATOM 628 OD2 ASP A 51 113.636 -17.764 -5.372 1.00 0.00 O ATOM 0 H ASP A 51 114.647 -12.827 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 51 115.337 -15.019 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.914 -14.781 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 51 113.737 -15.479 -6.317 1.00 0.00 H new ATOM 633 N LEU A 52 116.299 -14.336 -6.873 1.00 0.00 N ATOM 634 CA LEU A 52 117.342 -14.597 -7.859 1.00 0.00 C ATOM 635 C LEU A 52 118.606 -13.798 -7.546 1.00 0.00 C ATOM 636 O LEU A 52 119.489 -13.659 -8.393 1.00 0.00 O ATOM 637 CB LEU A 52 116.841 -14.256 -9.265 1.00 0.00 C ATOM 638 CG LEU A 52 116.270 -15.438 -10.052 1.00 0.00 C ATOM 639 CD1 LEU A 52 117.374 -16.418 -10.418 1.00 0.00 C ATOM 640 CD2 LEU A 52 115.179 -16.133 -9.252 1.00 0.00 C ATOM 0 H LEU A 52 115.681 -13.559 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 52 117.588 -15.658 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 52 116.072 -13.487 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 52 117.665 -13.824 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 52 115.830 -15.059 -10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 52 116.950 -17.252 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 52 118.121 -15.913 -11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 117.844 -16.793 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 52 114.784 -16.971 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 52 115.594 -16.500 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 52 114.376 -15.427 -9.042 1.00 0.00 H new ATOM 652 N TYR A 53 118.687 -13.273 -6.326 1.00 0.00 N ATOM 653 CA TYR A 53 119.837 -12.492 -5.901 1.00 0.00 C ATOM 654 C TYR A 53 120.593 -13.212 -4.789 1.00 0.00 C ATOM 655 O TYR A 53 121.823 -13.195 -4.747 1.00 0.00 O ATOM 656 CB TYR A 53 119.382 -11.114 -5.419 1.00 0.00 C ATOM 657 CG TYR A 53 120.033 -9.961 -6.152 1.00 0.00 C ATOM 658 CD1 TYR A 53 121.351 -10.040 -6.585 1.00 0.00 C ATOM 659 CD2 TYR A 53 119.328 -8.792 -6.410 1.00 0.00 C ATOM 660 CE1 TYR A 53 121.947 -8.989 -7.254 1.00 0.00 C ATOM 661 CE2 TYR A 53 119.917 -7.735 -7.079 1.00 0.00 C ATOM 662 CZ TYR A 53 121.226 -7.839 -7.499 1.00 0.00 C ATOM 663 OH TYR A 53 121.815 -6.789 -8.166 1.00 0.00 O ATOM 0 H TYR A 53 117.964 -13.377 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 53 120.508 -12.370 -6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.300 -11.039 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 53 119.598 -11.023 -4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 53 121.919 -10.939 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 53 118.302 -8.707 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 53 122.972 -9.067 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 53 119.355 -6.833 -7.271 1.00 0.00 H new ATOM 0 HH TYR A 53 121.170 -6.057 -8.257 1.00 0.00 H new ATOM 673 N SER A 54 119.845 -13.844 -3.890 1.00 0.00 N ATOM 674 CA SER A 54 120.439 -14.574 -2.774 1.00 0.00 C ATOM 675 C SER A 54 121.370 -13.675 -1.968 1.00 0.00 C ATOM 676 O SER A 54 122.435 -14.105 -1.524 1.00 0.00 O ATOM 677 CB SER A 54 121.202 -15.797 -3.284 1.00 0.00 C ATOM 678 OG SER A 54 120.349 -16.923 -3.392 1.00 0.00 O ATOM 0 H SER A 54 118.825 -13.866 -3.912 1.00 0.00 H new ATOM 0 HA SER A 54 119.632 -14.907 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 54 121.642 -15.575 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 54 122.025 -16.024 -2.607 1.00 0.00 H new ATOM 0 HG SER A 54 120.861 -17.691 -3.722 1.00 0.00 H new ATOM 684 N LYS A 55 120.962 -12.424 -1.789 1.00 0.00 N ATOM 685 CA LYS A 55 121.761 -11.461 -1.042 1.00 0.00 C ATOM 686 C LYS A 55 123.117 -11.241 -1.708 1.00 0.00 C ATOM 687 O LYS A 55 124.029 -10.679 -1.102 1.00 0.00 O ATOM 688 CB LYS A 55 121.960 -11.937 0.398 1.00 0.00 C ATOM 689 CG LYS A 55 120.832 -11.531 1.334 1.00 0.00 C ATOM 690 CD LYS A 55 119.958 -12.719 1.705 1.00 0.00 C ATOM 691 CE LYS A 55 120.594 -13.557 2.801 1.00 0.00 C ATOM 692 NZ LYS A 55 120.251 -13.050 4.158 1.00 0.00 N ATOM 0 H LYS A 55 120.083 -12.053 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 55 121.223 -10.513 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 55 122.053 -13.023 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 55 122.899 -11.535 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 121.250 -11.089 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 120.221 -10.764 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.982 -12.365 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.790 -13.338 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 55 120.263 -14.591 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 55 121.677 -13.556 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 120.704 -13.649 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 120.589 -12.072 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.219 -13.075 4.287 1.00 0.00 H new ATOM 706 N SER A 56 123.246 -11.680 -2.960 1.00 0.00 N ATOM 707 CA SER A 56 124.495 -11.517 -3.694 1.00 0.00 C ATOM 708 C SER A 56 124.856 -10.040 -3.803 1.00 0.00 C ATOM 709 O SER A 56 125.951 -9.625 -3.423 1.00 0.00 O ATOM 710 CB SER A 56 124.381 -12.134 -5.089 1.00 0.00 C ATOM 711 OG SER A 56 124.450 -13.548 -5.028 1.00 0.00 O ATOM 0 H SER A 56 122.505 -12.148 -3.482 1.00 0.00 H new ATOM 0 HA SER A 56 125.285 -12.033 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 56 123.439 -11.832 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 125.181 -11.755 -5.724 1.00 0.00 H new ATOM 0 HG SER A 56 123.556 -13.912 -4.858 1.00 0.00 H new ATOM 717 N THR A 57 123.919 -9.253 -4.316 1.00 0.00 N ATOM 718 CA THR A 57 124.120 -7.819 -4.468 1.00 0.00 C ATOM 719 C THR A 57 122.817 -7.063 -4.241 1.00 0.00 C ATOM 720 O THR A 57 122.659 -5.927 -4.689 1.00 0.00 O ATOM 721 CB THR A 57 124.673 -7.501 -5.857 1.00 0.00 C ATOM 722 OG1 THR A 57 125.665 -8.442 -6.228 1.00 0.00 O ATOM 723 CG2 THR A 57 125.286 -6.121 -5.957 1.00 0.00 C ATOM 0 H THR A 57 123.009 -9.586 -4.635 1.00 0.00 H new ATOM 0 HA THR A 57 124.843 -7.498 -3.718 1.00 0.00 H new ATOM 0 HB THR A 57 123.815 -7.547 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 57 126.006 -8.223 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 125.659 -5.961 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 57 124.531 -5.370 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 57 126.111 -6.037 -5.249 1.00 0.00 H new ATOM 731 N ALA A 58 121.889 -7.696 -3.532 1.00 0.00 N ATOM 732 CA ALA A 58 120.605 -7.080 -3.233 1.00 0.00 C ATOM 733 C ALA A 58 120.760 -6.063 -2.113 1.00 0.00 C ATOM 734 O ALA A 58 120.194 -4.971 -2.166 1.00 0.00 O ATOM 735 CB ALA A 58 119.581 -8.140 -2.855 1.00 0.00 C ATOM 0 H ALA A 58 122.004 -8.636 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 58 120.249 -6.564 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 58 118.627 -7.662 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 58 119.455 -8.836 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.927 -8.682 -1.975 1.00 0.00 H new ATOM 741 N ALA A 59 121.542 -6.430 -1.104 1.00 0.00 N ATOM 742 CA ALA A 59 121.791 -5.550 0.029 1.00 0.00 C ATOM 743 C ALA A 59 122.734 -4.416 -0.362 1.00 0.00 C ATOM 744 O ALA A 59 122.732 -3.353 0.260 1.00 0.00 O ATOM 745 CB ALA A 59 122.364 -6.340 1.195 1.00 0.00 C ATOM 0 H ALA A 59 122.014 -7.332 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 59 120.842 -5.111 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 59 122.545 -5.669 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 59 121.656 -7.113 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 59 123.302 -6.805 0.893 1.00 0.00 H new ATOM 751 N MET A 60 123.540 -4.647 -1.397 1.00 0.00 N ATOM 752 CA MET A 60 124.487 -3.642 -1.867 1.00 0.00 C ATOM 753 C MET A 60 123.806 -2.635 -2.792 1.00 0.00 C ATOM 754 O MET A 60 124.306 -1.529 -2.993 1.00 0.00 O ATOM 755 CB MET A 60 125.653 -4.312 -2.596 1.00 0.00 C ATOM 756 CG MET A 60 126.808 -4.684 -1.680 1.00 0.00 C ATOM 757 SD MET A 60 128.148 -3.478 -1.727 1.00 0.00 S ATOM 758 CE MET A 60 127.835 -2.565 -0.218 1.00 0.00 C ATOM 0 H MET A 60 123.555 -5.520 -1.924 1.00 0.00 H new ATOM 0 HA MET A 60 124.868 -3.107 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 60 125.291 -5.211 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 60 126.018 -3.641 -3.374 1.00 0.00 H new ATOM 0 HG2 MET A 60 126.441 -4.774 -0.658 1.00 0.00 H new ATOM 0 HG3 MET A 60 127.194 -5.662 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 60 128.594 -1.792 -0.096 1.00 0.00 H new ATOM 0 HE2 MET A 60 126.850 -2.101 -0.271 1.00 0.00 H new ATOM 0 HE3 MET A 60 127.870 -3.245 0.633 1.00 0.00 H new ATOM 768 N SER A 61 122.663 -3.024 -3.354 1.00 0.00 N ATOM 769 CA SER A 61 121.920 -2.152 -4.256 1.00 0.00 C ATOM 770 C SER A 61 120.479 -1.986 -3.783 1.00 0.00 C ATOM 771 O SER A 61 119.540 -2.065 -4.576 1.00 0.00 O ATOM 772 CB SER A 61 121.944 -2.717 -5.678 1.00 0.00 C ATOM 773 OG SER A 61 123.223 -3.233 -6.000 1.00 0.00 O ATOM 0 H SER A 61 122.233 -3.936 -3.200 1.00 0.00 H new ATOM 0 HA SER A 61 122.398 -1.173 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 61 121.196 -3.505 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.675 -1.935 -6.388 1.00 0.00 H new ATOM 0 HG SER A 61 123.212 -3.589 -6.913 1.00 0.00 H new ATOM 779 N THR A 62 120.312 -1.755 -2.486 1.00 0.00 N ATOM 780 CA THR A 62 118.988 -1.576 -1.904 1.00 0.00 C ATOM 781 C THR A 62 118.730 -0.113 -1.560 1.00 0.00 C ATOM 782 O THR A 62 117.589 0.282 -1.319 1.00 0.00 O ATOM 783 CB THR A 62 118.839 -2.428 -0.644 1.00 0.00 C ATOM 784 OG1 THR A 62 119.996 -3.216 -0.426 1.00 0.00 O ATOM 785 CG2 THR A 62 117.648 -3.360 -0.689 1.00 0.00 C ATOM 0 H THR A 62 121.079 -1.687 -1.817 1.00 0.00 H new ATOM 0 HA THR A 62 118.256 -1.894 -2.646 1.00 0.00 H new ATOM 0 HB THR A 62 118.692 -1.716 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 62 120.094 -3.863 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 62 117.601 -3.935 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 62 116.734 -2.777 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 117.750 -4.040 -1.535 1.00 0.00 H new ATOM 793 N TYR A 63 119.793 0.685 -1.539 1.00 0.00 N ATOM 794 CA TYR A 63 119.680 2.103 -1.224 1.00 0.00 C ATOM 795 C TYR A 63 118.526 2.740 -1.985 1.00 0.00 C ATOM 796 O TYR A 63 117.930 3.714 -1.526 1.00 0.00 O ATOM 797 CB TYR A 63 120.980 2.825 -1.558 1.00 0.00 C ATOM 798 CG TYR A 63 121.908 2.988 -0.375 1.00 0.00 C ATOM 799 CD1 TYR A 63 121.466 3.574 0.804 1.00 0.00 C ATOM 800 CD2 TYR A 63 123.226 2.553 -0.437 1.00 0.00 C ATOM 801 CE1 TYR A 63 122.311 3.725 1.887 1.00 0.00 C ATOM 802 CE2 TYR A 63 124.078 2.699 0.642 1.00 0.00 C ATOM 803 CZ TYR A 63 123.614 3.285 1.801 1.00 0.00 C ATOM 804 OH TYR A 63 124.459 3.432 2.878 1.00 0.00 O ATOM 0 H TYR A 63 120.743 0.372 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 63 119.483 2.196 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.499 2.275 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 63 120.745 3.810 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 63 120.445 3.918 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 63 123.591 2.093 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 63 121.952 4.185 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 63 125.100 2.356 0.578 1.00 0.00 H new ATOM 0 HH TYR A 63 125.341 3.069 2.653 1.00 0.00 H new ATOM 814 N THR A 64 118.204 2.176 -3.145 1.00 0.00 N ATOM 815 CA THR A 64 117.106 2.683 -3.957 1.00 0.00 C ATOM 816 C THR A 64 115.853 2.867 -3.105 1.00 0.00 C ATOM 817 O THR A 64 115.003 3.705 -3.403 1.00 0.00 O ATOM 818 CB THR A 64 116.815 1.728 -5.116 1.00 0.00 C ATOM 819 OG1 THR A 64 118.003 1.420 -5.822 1.00 0.00 O ATOM 820 CG2 THR A 64 115.818 2.280 -6.112 1.00 0.00 C ATOM 0 H THR A 64 118.687 1.370 -3.542 1.00 0.00 H new ATOM 0 HA THR A 64 117.399 3.651 -4.364 1.00 0.00 H new ATOM 0 HB THR A 64 116.387 0.838 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 64 117.796 0.807 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 64 115.658 1.552 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 64 114.873 2.481 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 64 116.205 3.205 -6.539 1.00 0.00 H new ATOM 828 N GLY A 65 115.752 2.078 -2.035 1.00 0.00 N ATOM 829 CA GLY A 65 114.608 2.173 -1.149 1.00 0.00 C ATOM 830 C GLY A 65 114.961 2.771 0.202 1.00 0.00 C ATOM 831 O GLY A 65 114.078 3.035 1.017 1.00 0.00 O ATOM 0 H GLY A 65 116.443 1.376 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 65 113.837 2.782 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 65 114.184 1.180 -1.002 1.00 0.00 H new ATOM 835 N ILE A 66 116.254 2.986 0.444 1.00 0.00 N ATOM 836 CA ILE A 66 116.709 3.555 1.707 1.00 0.00 C ATOM 837 C ILE A 66 117.141 5.011 1.537 1.00 0.00 C ATOM 838 O ILE A 66 117.331 5.724 2.522 1.00 0.00 O ATOM 839 CB ILE A 66 117.888 2.754 2.290 1.00 0.00 C ATOM 840 CG1 ILE A 66 117.641 1.252 2.143 1.00 0.00 C ATOM 841 CG2 ILE A 66 118.109 3.119 3.751 1.00 0.00 C ATOM 842 CD1 ILE A 66 116.382 0.775 2.833 1.00 0.00 C ATOM 0 H ILE A 66 117.001 2.775 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 66 115.864 3.506 2.394 1.00 0.00 H new ATOM 0 HB ILE A 66 118.788 3.010 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.581 1.004 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.495 0.710 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.946 2.544 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 66 118.330 4.183 3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.209 2.892 4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 66 116.272 -0.299 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 66 116.447 0.991 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 66 115.519 1.289 2.411 1.00 0.00 H new ATOM 854 N PHE A 67 117.297 5.447 0.286 1.00 0.00 N ATOM 855 CA PHE A 67 117.708 6.820 -0.006 1.00 0.00 C ATOM 856 C PHE A 67 116.974 7.818 0.887 1.00 0.00 C ATOM 857 O PHE A 67 117.510 8.870 1.233 1.00 0.00 O ATOM 858 CB PHE A 67 117.451 7.147 -1.479 1.00 0.00 C ATOM 859 CG PHE A 67 118.699 7.170 -2.316 1.00 0.00 C ATOM 860 CD1 PHE A 67 119.644 6.163 -2.200 1.00 0.00 C ATOM 861 CD2 PHE A 67 118.926 8.198 -3.216 1.00 0.00 C ATOM 862 CE1 PHE A 67 120.793 6.181 -2.968 1.00 0.00 C ATOM 863 CE2 PHE A 67 120.073 8.221 -3.987 1.00 0.00 C ATOM 864 CZ PHE A 67 121.008 7.212 -3.863 1.00 0.00 C ATOM 0 H PHE A 67 117.145 4.869 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 67 118.776 6.902 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 67 116.761 6.411 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 67 116.960 8.118 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 67 119.481 5.355 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 67 118.199 8.990 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.522 5.390 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 67 120.238 9.028 -4.686 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.905 7.229 -4.464 1.00 0.00 H new ATOM 874 N THR A 68 115.746 7.474 1.260 1.00 0.00 N ATOM 875 CA THR A 68 114.939 8.332 2.119 1.00 0.00 C ATOM 876 C THR A 68 114.838 7.751 3.527 1.00 0.00 C ATOM 877 O THR A 68 114.601 8.478 4.491 1.00 0.00 O ATOM 878 CB THR A 68 113.541 8.516 1.527 1.00 0.00 C ATOM 879 OG1 THR A 68 113.611 8.698 0.124 1.00 0.00 O ATOM 880 CG2 THR A 68 112.797 9.700 2.107 1.00 0.00 C ATOM 0 H THR A 68 115.288 6.607 0.981 1.00 0.00 H new ATOM 0 HA THR A 68 115.428 9.304 2.181 1.00 0.00 H new ATOM 0 HB THR A 68 112.997 7.606 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 68 112.707 8.812 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 68 111.813 9.774 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 68 112.683 9.567 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 68 113.359 10.614 1.912 1.00 0.00 H new ATOM 888 N ASP A 69 115.021 6.438 3.640 1.00 0.00 N ATOM 889 CA ASP A 69 114.954 5.770 4.933 1.00 0.00 C ATOM 890 C ASP A 69 116.200 6.072 5.756 1.00 0.00 C ATOM 891 O ASP A 69 116.131 6.224 6.976 1.00 0.00 O ATOM 892 CB ASP A 69 114.799 4.259 4.748 1.00 0.00 C ATOM 893 CG ASP A 69 113.685 3.904 3.781 1.00 0.00 C ATOM 894 OD1 ASP A 69 112.935 4.818 3.377 1.00 0.00 O ATOM 895 OD2 ASP A 69 113.562 2.712 3.430 1.00 0.00 O ATOM 0 H ASP A 69 115.216 5.819 2.853 1.00 0.00 H new ATOM 0 HA ASP A 69 114.083 6.148 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 69 115.738 3.842 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 69 114.598 3.796 5.714 1.00 0.00 H new ATOM 900 N GLN A 70 117.340 6.162 5.079 1.00 0.00 N ATOM 901 CA GLN A 70 118.603 6.454 5.745 1.00 0.00 C ATOM 902 C GLN A 70 118.612 7.880 6.283 1.00 0.00 C ATOM 903 O GLN A 70 119.254 8.170 7.292 1.00 0.00 O ATOM 904 CB GLN A 70 119.773 6.251 4.781 1.00 0.00 C ATOM 905 CG GLN A 70 119.698 7.126 3.540 1.00 0.00 C ATOM 906 CD GLN A 70 121.016 7.809 3.227 1.00 0.00 C ATOM 907 OE1 GLN A 70 121.448 8.710 3.947 1.00 0.00 O ATOM 908 NE2 GLN A 70 121.663 7.381 2.149 1.00 0.00 N ATOM 0 H GLN A 70 117.415 6.037 4.069 1.00 0.00 H new ATOM 0 HA GLN A 70 118.712 5.766 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 70 120.706 6.459 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 70 119.805 5.205 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 70 119.398 6.516 2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 70 118.925 7.882 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 70 121.268 6.632 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 70 122.555 7.802 1.889 1.00 0.00 H new ATOM 917 N VAL A 71 117.892 8.769 5.602 1.00 0.00 N ATOM 918 CA VAL A 71 117.814 10.163 6.011 1.00 0.00 C ATOM 919 C VAL A 71 116.686 10.371 7.017 1.00 0.00 C ATOM 920 O VAL A 71 116.832 11.120 7.983 1.00 0.00 O ATOM 921 CB VAL A 71 117.588 11.079 4.794 1.00 0.00 C ATOM 922 CG1 VAL A 71 117.451 12.533 5.224 1.00 0.00 C ATOM 923 CG2 VAL A 71 118.720 10.919 3.791 1.00 0.00 C ATOM 0 H VAL A 71 117.355 8.545 4.764 1.00 0.00 H new ATOM 0 HA VAL A 71 118.763 10.422 6.481 1.00 0.00 H new ATOM 0 HB VAL A 71 116.656 10.782 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 71 117.292 13.159 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 71 116.602 12.634 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 71 118.361 12.849 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 118.545 11.573 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 71 119.665 11.185 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 71 118.762 9.884 3.452 1.00 0.00 H new ATOM 933 N LEU A 72 115.562 9.701 6.784 1.00 0.00 N ATOM 934 CA LEU A 72 114.409 9.810 7.669 1.00 0.00 C ATOM 935 C LEU A 72 114.762 9.354 9.080 1.00 0.00 C ATOM 936 O LEU A 72 114.175 9.817 10.058 1.00 0.00 O ATOM 937 CB LEU A 72 113.244 8.978 7.129 1.00 0.00 C ATOM 938 CG LEU A 72 111.891 9.255 7.785 1.00 0.00 C ATOM 939 CD1 LEU A 72 111.199 10.427 7.106 1.00 0.00 C ATOM 940 CD2 LEU A 72 111.012 8.015 7.736 1.00 0.00 C ATOM 0 H LEU A 72 115.426 9.077 5.989 1.00 0.00 H new ATOM 0 HA LEU A 72 114.111 10.858 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 72 113.155 9.158 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 72 113.482 7.922 7.256 1.00 0.00 H new ATOM 0 HG LEU A 72 112.061 9.515 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 72 110.238 10.610 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 72 111.822 11.317 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 72 111.040 10.195 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 72 110.053 8.230 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 72 110.849 7.725 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 72 111.503 7.200 8.268 1.00 0.00 H new ATOM 952 N SER A 73 115.729 8.446 9.179 1.00 0.00 N ATOM 953 CA SER A 73 116.163 7.930 10.471 1.00 0.00 C ATOM 954 C SER A 73 117.077 8.927 11.177 1.00 0.00 C ATOM 955 O SER A 73 117.207 8.905 12.400 1.00 0.00 O ATOM 956 CB SER A 73 116.888 6.595 10.294 1.00 0.00 C ATOM 957 OG SER A 73 116.063 5.649 9.635 1.00 0.00 O ATOM 0 H SER A 73 116.226 8.053 8.379 1.00 0.00 H new ATOM 0 HA SER A 73 115.277 7.776 11.087 1.00 0.00 H new ATOM 0 HB2 SER A 73 117.802 6.747 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.185 6.207 11.268 1.00 0.00 H new ATOM 0 HG SER A 73 116.139 5.768 8.665 1.00 0.00 H new ATOM 963 N VAL A 74 117.706 9.803 10.398 1.00 0.00 N ATOM 964 CA VAL A 74 118.603 10.809 10.953 1.00 0.00 C ATOM 965 C VAL A 74 117.870 11.692 11.956 1.00 0.00 C ATOM 966 O VAL A 74 118.459 12.167 12.927 1.00 0.00 O ATOM 967 CB VAL A 74 119.214 11.685 9.844 1.00 0.00 C ATOM 968 CG1 VAL A 74 120.105 12.770 10.435 1.00 0.00 C ATOM 969 CG2 VAL A 74 119.993 10.825 8.863 1.00 0.00 C ATOM 0 H VAL A 74 117.611 9.836 9.383 1.00 0.00 H new ATOM 0 HA VAL A 74 119.409 10.281 11.463 1.00 0.00 H new ATOM 0 HB VAL A 74 118.401 12.175 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 74 120.524 13.375 9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 74 119.515 13.405 11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 74 120.914 12.308 11.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 120.420 11.457 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 74 120.795 10.307 9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 74 119.324 10.093 8.410 1.00 0.00 H new ATOM 979 N LEU A 75 116.577 11.898 11.721 1.00 0.00 N ATOM 980 CA LEU A 75 115.762 12.713 12.614 1.00 0.00 C ATOM 981 C LEU A 75 115.844 12.183 14.043 1.00 0.00 C ATOM 982 O LEU A 75 115.639 12.922 15.005 1.00 0.00 O ATOM 983 CB LEU A 75 114.307 12.727 12.144 1.00 0.00 C ATOM 984 CG LEU A 75 113.549 14.025 12.424 1.00 0.00 C ATOM 985 CD1 LEU A 75 114.204 15.192 11.702 1.00 0.00 C ATOM 986 CD2 LEU A 75 112.091 13.890 12.010 1.00 0.00 C ATOM 0 H LEU A 75 116.073 11.513 10.922 1.00 0.00 H new ATOM 0 HA LEU A 75 116.147 13.733 12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 75 114.286 12.536 11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 113.778 11.904 12.625 1.00 0.00 H new ATOM 0 HG LEU A 75 113.585 14.221 13.496 1.00 0.00 H new ATOM 0 HD11 LEU A 75 113.651 16.107 11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 75 115.232 15.302 12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 75 114.199 15.005 10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 75 111.566 14.823 12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 75 112.034 13.670 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 111.626 13.080 12.573 1.00 0.00 H new ATOM 998 N LYS A 76 116.154 10.894 14.170 1.00 0.00 N ATOM 999 CA LYS A 76 116.274 10.259 15.475 1.00 0.00 C ATOM 1000 C LYS A 76 116.977 8.915 15.355 1.00 0.00 C ATOM 1001 O LYS A 76 116.451 7.975 14.759 1.00 0.00 O ATOM 1002 CB LYS A 76 114.896 10.078 16.115 1.00 0.00 C ATOM 1003 CG LYS A 76 114.413 11.302 16.877 1.00 0.00 C ATOM 1004 CD LYS A 76 113.291 12.015 16.139 1.00 0.00 C ATOM 1005 CE LYS A 76 113.049 13.406 16.699 1.00 0.00 C ATOM 1006 NZ LYS A 76 111.720 13.944 16.299 1.00 0.00 N ATOM 0 H LYS A 76 116.326 10.270 13.382 1.00 0.00 H new ATOM 0 HA LYS A 76 116.872 10.908 16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 76 114.172 9.836 15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 76 114.929 9.227 16.795 1.00 0.00 H new ATOM 0 HG2 LYS A 76 114.066 11.002 17.866 1.00 0.00 H new ATOM 0 HG3 LYS A 76 115.245 11.990 17.027 1.00 0.00 H new ATOM 0 HD2 LYS A 76 113.539 12.087 15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.376 11.428 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.116 13.376 17.787 1.00 0.00 H new ATOM 0 HE3 LYS A 76 113.833 14.079 16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 111.595 14.895 16.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 111.665 13.997 15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 110.970 13.316 16.654 1.00 0.00 H new ATOM 1020 N GLY A 77 118.177 8.839 15.915 1.00 0.00 N ATOM 1021 CA GLY A 77 118.951 7.617 15.853 1.00 0.00 C ATOM 1022 C GLY A 77 120.149 7.751 14.934 1.00 0.00 C ATOM 1023 O GLY A 77 120.973 6.841 14.838 1.00 0.00 O ATOM 0 H GLY A 77 118.629 9.606 16.413 1.00 0.00 H new ATOM 0 HA2 GLY A 77 119.290 7.351 16.854 1.00 0.00 H new ATOM 0 HA3 GLY A 77 118.316 6.803 15.505 1.00 0.00 H new ATOM 1027 N GLU A 78 120.249 8.899 14.258 1.00 0.00 N ATOM 1028 CA GLU A 78 121.352 9.165 13.343 1.00 0.00 C ATOM 1029 C GLU A 78 121.638 7.961 12.451 1.00 0.00 C ATOM 1030 O GLU A 78 122.778 7.730 12.048 1.00 0.00 O ATOM 1031 CB GLU A 78 122.599 9.545 14.135 1.00 0.00 C ATOM 1032 CG GLU A 78 123.765 9.986 13.267 1.00 0.00 C ATOM 1033 CD GLU A 78 124.144 11.438 13.491 1.00 0.00 C ATOM 1034 OE1 GLU A 78 124.112 11.887 14.655 1.00 0.00 O ATOM 1035 OE2 GLU A 78 124.473 12.124 12.500 1.00 0.00 O ATOM 0 H GLU A 78 119.574 9.660 14.331 1.00 0.00 H new ATOM 0 HA GLU A 78 121.067 9.995 12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 78 122.348 10.349 14.826 1.00 0.00 H new ATOM 0 HB3 GLU A 78 122.909 8.692 14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 78 124.628 9.353 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 78 123.508 9.839 12.218 1.00 0.00 H new ATOM 1042 N GLU A 79 120.593 7.198 12.149 1.00 0.00 N ATOM 1043 CA GLU A 79 120.727 6.017 11.305 1.00 0.00 C ATOM 1044 C GLU A 79 120.669 6.393 9.828 1.00 0.00 C ATOM 1045 O GLU A 79 120.609 7.604 9.529 1.00 0.00 O ATOM 1046 CB GLU A 79 119.626 5.005 11.630 1.00 0.00 C ATOM 1047 CG GLU A 79 120.091 3.560 11.562 1.00 0.00 C ATOM 1048 CD GLU A 79 118.936 2.582 11.462 1.00 0.00 C ATOM 1049 OE1 GLU A 79 118.265 2.349 12.488 1.00 0.00 O ATOM 1050 OE2 GLU A 79 118.703 2.050 10.355 1.00 0.00 O ATOM 1051 OXT GLU A 79 120.683 5.473 8.983 1.00 0.00 O ATOM 0 H GLU A 79 119.644 7.377 12.476 1.00 0.00 H new ATOM 0 HA GLU A 79 121.698 5.565 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 79 119.241 5.208 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 118.798 5.145 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 79 120.746 3.433 10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 79 120.682 3.330 12.448 1.00 0.00 H new TER 1058 GLU A 79