USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 23 GLN : amide:sc= -3.08! C(o=-4.5!,f=-6.8!) USER MOD Set 1.2: A 26 MET CE :methyl 149:sc= -1.45 (180deg=-4.21!) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 16 THR OG1 : rot 49:sc= 0.456 USER MOD Single : A 17 THR OG1 : rot -174:sc= -1.47 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -125:sc= 1.69 USER MOD Single : A 35 THR OG1 : rot -157:sc= -2.03! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A 69 TYR OH : rot -174:sc= 0.0857 USER MOD Single : A 74 THR OG1 : rot -51:sc= -6.07! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -3.32! C(o=-4.1!,f=-3.3!) USER MOD Single : A 94 THR OG1 : rot -171:sc= -2.72! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 3.712 -0.305 1.040 1.00 51.43 N ATOM 2 CA ASP A 11 3.812 -0.268 -0.415 1.00 24.23 C ATOM 3 C ASP A 11 3.466 -1.626 -1.017 1.00 60.14 C ATOM 4 O ASP A 11 3.328 -1.760 -2.234 1.00 2.24 O ATOM 5 CB ASP A 11 5.221 0.148 -0.840 1.00 25.14 C ATOM 6 CG ASP A 11 6.255 -0.920 -0.540 1.00 5.52 C ATOM 7 OD1 ASP A 11 6.112 -1.613 0.489 1.00 74.21 O ATOM 8 OD2 ASP A 11 7.208 -1.062 -1.334 1.00 41.13 O ATOM 0 HA ASP A 11 3.097 0.467 -0.786 1.00 24.23 H new ATOM 0 HB2 ASP A 11 5.226 0.365 -1.908 1.00 25.14 H new ATOM 0 HB3 ASP A 11 5.495 1.070 -0.326 1.00 25.14 H new ATOM 13 N TYR A 12 3.328 -2.630 -0.159 1.00 72.52 N ATOM 14 CA TYR A 12 3.001 -3.979 -0.607 1.00 62.02 C ATOM 15 C TYR A 12 1.607 -4.025 -1.224 1.00 73.33 C ATOM 16 O TYR A 12 1.432 -4.472 -2.358 1.00 32.50 O ATOM 17 CB TYR A 12 3.087 -4.962 0.562 1.00 53.04 C ATOM 18 CG TYR A 12 4.448 -5.005 1.219 1.00 53.53 C ATOM 19 CD1 TYR A 12 4.767 -4.139 2.257 1.00 3.41 C ATOM 20 CD2 TYR A 12 5.414 -5.912 0.802 1.00 41.35 C ATOM 21 CE1 TYR A 12 6.010 -4.174 2.860 1.00 52.43 C ATOM 22 CE2 TYR A 12 6.659 -5.955 1.399 1.00 12.23 C ATOM 23 CZ TYR A 12 6.952 -5.083 2.427 1.00 20.55 C ATOM 24 OH TYR A 12 8.190 -5.122 3.026 1.00 25.51 O ATOM 0 H TYR A 12 3.437 -2.536 0.851 1.00 72.52 H new ATOM 0 HA TYR A 12 3.725 -4.267 -1.369 1.00 62.02 H new ATOM 0 HB2 TYR A 12 2.341 -4.691 1.309 1.00 53.04 H new ATOM 0 HB3 TYR A 12 2.833 -5.960 0.206 1.00 53.04 H new ATOM 0 HD1 TYR A 12 4.031 -3.426 2.599 1.00 3.41 H new ATOM 0 HD2 TYR A 12 5.188 -6.595 -0.003 1.00 41.35 H new ATOM 0 HE1 TYR A 12 6.242 -3.493 3.666 1.00 52.43 H new ATOM 0 HE2 TYR A 12 7.398 -6.667 1.063 1.00 12.23 H new ATOM 0 HH TYR A 12 8.735 -5.819 2.605 1.00 25.51 H new ATOM 34 N ASP A 13 0.618 -3.559 -0.470 1.00 35.41 N ATOM 35 CA ASP A 13 -0.762 -3.545 -0.942 1.00 33.14 C ATOM 36 C ASP A 13 -0.910 -2.642 -2.162 1.00 51.20 C ATOM 37 O ASP A 13 0.066 -2.353 -2.854 1.00 45.22 O ATOM 38 CB ASP A 13 -1.700 -3.076 0.172 1.00 3.12 C ATOM 39 CG ASP A 13 -1.316 -3.638 1.527 1.00 71.12 C ATOM 40 OD1 ASP A 13 -1.743 -4.768 1.843 1.00 35.42 O ATOM 41 OD2 ASP A 13 -0.588 -2.948 2.270 1.00 20.34 O ATOM 0 H ASP A 13 0.746 -3.186 0.471 1.00 35.41 H new ATOM 0 HA ASP A 13 -1.032 -4.561 -1.230 1.00 33.14 H new ATOM 0 HB2 ASP A 13 -1.690 -1.987 0.217 1.00 3.12 H new ATOM 0 HB3 ASP A 13 -2.721 -3.375 -0.066 1.00 3.12 H new ATOM 46 N ILE A 14 -2.136 -2.200 -2.420 1.00 35.40 N ATOM 47 CA ILE A 14 -2.411 -1.330 -3.557 1.00 33.34 C ATOM 48 C ILE A 14 -1.914 0.088 -3.297 1.00 21.45 C ATOM 49 O ILE A 14 -2.315 0.746 -2.337 1.00 3.42 O ATOM 50 CB ILE A 14 -3.917 -1.283 -3.878 1.00 63.25 C ATOM 51 CG1 ILE A 14 -4.547 -2.663 -3.677 1.00 10.33 C ATOM 52 CG2 ILE A 14 -4.139 -0.797 -5.303 1.00 2.53 C ATOM 53 CD1 ILE A 14 -5.288 -2.803 -2.365 1.00 43.42 C ATOM 0 H ILE A 14 -2.955 -2.430 -1.857 1.00 35.40 H new ATOM 0 HA ILE A 14 -1.878 -1.748 -4.411 1.00 33.34 H new ATOM 0 HB ILE A 14 -4.397 -0.582 -3.196 1.00 63.25 H new ATOM 0 HG12 ILE A 14 -5.236 -2.862 -4.498 1.00 10.33 H new ATOM 0 HG13 ILE A 14 -3.765 -3.421 -3.726 1.00 10.33 H new ATOM 0 HG21 ILE A 14 -5.208 -0.769 -5.516 1.00 2.53 H new ATOM 0 HG22 ILE A 14 -3.720 0.203 -5.416 1.00 2.53 H new ATOM 0 HG23 ILE A 14 -3.648 -1.477 -6.000 1.00 2.53 H new ATOM 0 HD11 ILE A 14 -5.709 -3.806 -2.290 1.00 43.42 H new ATOM 0 HD12 ILE A 14 -4.598 -2.636 -1.538 1.00 43.42 H new ATOM 0 HD13 ILE A 14 -6.092 -2.068 -2.321 1.00 43.42 H new ATOM 65 N PRO A 15 -1.020 0.571 -4.172 1.00 72.01 N ATOM 66 CA PRO A 15 -0.450 1.917 -4.060 1.00 32.11 C ATOM 67 C PRO A 15 -1.475 3.007 -4.355 1.00 20.15 C ATOM 68 O PRO A 15 -1.192 4.196 -4.208 1.00 0.42 O ATOM 69 CB PRO A 15 0.656 1.923 -5.118 1.00 21.12 C ATOM 70 CG PRO A 15 0.231 0.903 -6.116 1.00 72.45 C ATOM 71 CD PRO A 15 -0.498 -0.159 -5.339 1.00 42.15 C ATOM 0 HA PRO A 15 -0.095 2.126 -3.051 1.00 32.11 H new ATOM 0 HB2 PRO A 15 0.760 2.906 -5.577 1.00 21.12 H new ATOM 0 HB3 PRO A 15 1.623 1.671 -4.682 1.00 21.12 H new ATOM 0 HG2 PRO A 15 -0.416 1.345 -6.874 1.00 72.45 H new ATOM 0 HG3 PRO A 15 1.092 0.484 -6.636 1.00 72.45 H new ATOM 0 HD2 PRO A 15 -1.301 -0.606 -5.925 1.00 42.15 H new ATOM 0 HD3 PRO A 15 0.169 -0.968 -5.042 1.00 42.15 H new ATOM 79 N THR A 16 -2.668 2.594 -4.771 1.00 12.11 N ATOM 80 CA THR A 16 -3.735 3.535 -5.087 1.00 11.31 C ATOM 81 C THR A 16 -5.099 2.965 -4.716 1.00 73.23 C ATOM 82 O THR A 16 -5.764 2.333 -5.538 1.00 54.31 O ATOM 83 CB THR A 16 -3.735 3.904 -6.583 1.00 24.25 C ATOM 84 OG1 THR A 16 -3.742 2.715 -7.380 1.00 64.50 O ATOM 85 CG2 THR A 16 -2.518 4.747 -6.932 1.00 3.45 C ATOM 0 H THR A 16 -2.919 1.614 -4.897 1.00 12.11 H new ATOM 0 HA THR A 16 -3.548 4.433 -4.499 1.00 11.31 H new ATOM 0 HB THR A 16 -4.633 4.486 -6.791 1.00 24.25 H new ATOM 0 HG1 THR A 16 -4.443 2.110 -7.059 1.00 64.50 H new ATOM 0 HG21 THR A 16 -2.540 4.995 -7.993 1.00 3.45 H new ATOM 0 HG22 THR A 16 -2.530 5.665 -6.344 1.00 3.45 H new ATOM 0 HG23 THR A 16 -1.611 4.186 -6.709 1.00 3.45 H new ATOM 93 N THR A 17 -5.513 3.191 -3.473 1.00 44.31 N ATOM 94 CA THR A 17 -6.798 2.699 -2.993 1.00 42.34 C ATOM 95 C THR A 17 -7.569 3.794 -2.265 1.00 5.30 C ATOM 96 O THR A 17 -7.299 4.981 -2.447 1.00 0.00 O ATOM 97 CB THR A 17 -6.621 1.496 -2.048 1.00 74.12 C ATOM 98 OG1 THR A 17 -5.260 1.052 -2.069 1.00 11.11 O ATOM 99 CG2 THR A 17 -7.539 0.352 -2.452 1.00 32.23 C ATOM 0 H THR A 17 -4.976 3.712 -2.780 1.00 44.31 H new ATOM 0 HA THR A 17 -7.363 2.383 -3.870 1.00 42.34 H new ATOM 0 HB THR A 17 -6.883 1.813 -1.039 1.00 74.12 H new ATOM 0 HG1 THR A 17 -5.175 0.231 -1.540 1.00 11.11 H new ATOM 0 HG21 THR A 17 -7.397 -0.487 -1.771 1.00 32.23 H new ATOM 0 HG22 THR A 17 -8.576 0.684 -2.407 1.00 32.23 H new ATOM 0 HG23 THR A 17 -7.303 0.038 -3.469 1.00 32.23 H new ATOM 107 N GLU A 18 -8.528 3.387 -1.439 1.00 42.54 N ATOM 108 CA GLU A 18 -9.337 4.336 -0.684 1.00 14.13 C ATOM 109 C GLU A 18 -8.474 5.137 0.286 1.00 25.14 C ATOM 110 O GLU A 18 -7.887 6.153 -0.083 1.00 4.14 O ATOM 111 CB GLU A 18 -10.439 3.602 0.084 1.00 52.32 C ATOM 112 CG GLU A 18 -11.745 3.490 -0.685 1.00 12.43 C ATOM 113 CD GLU A 18 -12.569 4.762 -0.623 1.00 34.44 C ATOM 114 OE1 GLU A 18 -13.275 4.963 0.388 1.00 50.23 O ATOM 115 OE2 GLU A 18 -12.508 5.555 -1.585 1.00 52.21 O ATOM 0 H GLU A 18 -8.763 2.408 -1.276 1.00 42.54 H new ATOM 0 HA GLU A 18 -9.795 5.027 -1.392 1.00 14.13 H new ATOM 0 HB2 GLU A 18 -10.089 2.601 0.337 1.00 52.32 H new ATOM 0 HB3 GLU A 18 -10.624 4.122 1.024 1.00 52.32 H new ATOM 0 HG2 GLU A 18 -11.530 3.251 -1.727 1.00 12.43 H new ATOM 0 HG3 GLU A 18 -12.330 2.663 -0.283 1.00 12.43 H new ATOM 122 N ASN A 19 -8.402 4.671 1.529 1.00 62.20 N ATOM 123 CA ASN A 19 -7.611 5.344 2.553 1.00 31.52 C ATOM 124 C ASN A 19 -6.168 4.847 2.540 1.00 54.42 C ATOM 125 O ASN A 19 -5.392 5.137 3.451 1.00 10.31 O ATOM 126 CB ASN A 19 -8.228 5.116 3.935 1.00 62.52 C ATOM 127 CG ASN A 19 -9.083 6.284 4.386 1.00 21.21 C ATOM 128 OD1 ASN A 19 -10.248 6.398 4.005 1.00 0.32 O ATOM 129 ND2 ASN A 19 -8.506 7.158 5.202 1.00 12.41 N ATOM 0 H ASN A 19 -8.882 3.830 1.851 1.00 62.20 H new ATOM 0 HA ASN A 19 -7.611 6.412 2.334 1.00 31.52 H new ATOM 0 HB2 ASN A 19 -8.836 4.211 3.914 1.00 62.52 H new ATOM 0 HB3 ASN A 19 -7.433 4.949 4.662 1.00 62.52 H new ATOM 0 HD21 ASN A 19 -9.031 7.965 5.539 1.00 12.41 H new ATOM 0 HD22 ASN A 19 -7.537 7.023 5.492 1.00 12.41 H new ATOM 136 N LEU A 20 -5.816 4.099 1.501 1.00 62.24 N ATOM 137 CA LEU A 20 -4.466 3.562 1.367 1.00 2.31 C ATOM 138 C LEU A 20 -3.590 4.492 0.533 1.00 12.23 C ATOM 139 O LEU A 20 -2.393 4.626 0.786 1.00 64.23 O ATOM 140 CB LEU A 20 -4.509 2.174 0.727 1.00 24.42 C ATOM 141 CG LEU A 20 -4.126 1.004 1.635 1.00 15.11 C ATOM 142 CD1 LEU A 20 -4.835 1.116 2.976 1.00 73.50 C ATOM 143 CD2 LEU A 20 -4.456 -0.322 0.964 1.00 3.43 C ATOM 0 H LEU A 20 -6.446 3.850 0.739 1.00 62.24 H new ATOM 0 HA LEU A 20 -4.033 3.482 2.364 1.00 2.31 H new ATOM 0 HB2 LEU A 20 -5.517 2.001 0.350 1.00 24.42 H new ATOM 0 HB3 LEU A 20 -3.842 2.172 -0.135 1.00 24.42 H new ATOM 0 HG LEU A 20 -3.051 1.042 1.811 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -4.551 0.275 3.609 1.00 73.50 H new ATOM 0 HD12 LEU A 20 -4.549 2.049 3.462 1.00 73.50 H new ATOM 0 HD13 LEU A 20 -5.914 1.104 2.819 1.00 73.50 H new ATOM 0 HD21 LEU A 20 -4.177 -1.143 1.624 1.00 3.43 H new ATOM 0 HD22 LEU A 20 -5.525 -0.369 0.758 1.00 3.43 H new ATOM 0 HD23 LEU A 20 -3.902 -0.404 0.029 1.00 3.43 H new ATOM 155 N TYR A 21 -4.196 5.134 -0.459 1.00 50.14 N ATOM 156 CA TYR A 21 -3.472 6.052 -1.331 1.00 23.23 C ATOM 157 C TYR A 21 -3.022 7.291 -0.563 1.00 52.33 C ATOM 158 O TYR A 21 -2.221 8.085 -1.057 1.00 41.01 O ATOM 159 CB TYR A 21 -4.348 6.462 -2.516 1.00 22.34 C ATOM 160 CG TYR A 21 -4.970 7.831 -2.363 1.00 51.33 C ATOM 161 CD1 TYR A 21 -4.240 8.982 -2.638 1.00 35.32 C ATOM 162 CD2 TYR A 21 -6.287 7.975 -1.944 1.00 42.41 C ATOM 163 CE1 TYR A 21 -4.804 10.235 -2.499 1.00 54.25 C ATOM 164 CE2 TYR A 21 -6.859 9.225 -1.804 1.00 73.34 C ATOM 165 CZ TYR A 21 -6.114 10.351 -2.083 1.00 12.50 C ATOM 166 OH TYR A 21 -6.680 11.598 -1.944 1.00 35.13 O ATOM 0 H TYR A 21 -5.187 5.036 -0.680 1.00 50.14 H new ATOM 0 HA TYR A 21 -2.587 5.537 -1.704 1.00 23.23 H new ATOM 0 HB2 TYR A 21 -3.747 6.445 -3.425 1.00 22.34 H new ATOM 0 HB3 TYR A 21 -5.140 5.724 -2.644 1.00 22.34 H new ATOM 0 HD1 TYR A 21 -3.215 8.895 -2.966 1.00 35.32 H new ATOM 0 HD2 TYR A 21 -6.873 7.095 -1.724 1.00 42.41 H new ATOM 0 HE1 TYR A 21 -4.223 11.119 -2.715 1.00 54.25 H new ATOM 0 HE2 TYR A 21 -7.884 9.319 -1.478 1.00 73.34 H new ATOM 0 HH TYR A 21 -7.042 11.694 -1.038 1.00 35.13 H new ATOM 176 N PHE A 22 -3.544 7.450 0.649 1.00 41.35 N ATOM 177 CA PHE A 22 -3.198 8.593 1.486 1.00 23.20 C ATOM 178 C PHE A 22 -2.049 8.247 2.430 1.00 54.33 C ATOM 179 O PHE A 22 -0.992 8.876 2.393 1.00 52.14 O ATOM 180 CB PHE A 22 -4.416 9.049 2.292 1.00 24.12 C ATOM 181 CG PHE A 22 -5.064 10.290 1.749 1.00 44.13 C ATOM 182 CD1 PHE A 22 -4.327 11.449 1.566 1.00 2.22 C ATOM 183 CD2 PHE A 22 -6.410 10.298 1.421 1.00 62.12 C ATOM 184 CE1 PHE A 22 -4.920 12.593 1.066 1.00 40.11 C ATOM 185 CE2 PHE A 22 -7.008 11.438 0.920 1.00 53.53 C ATOM 186 CZ PHE A 22 -6.263 12.588 0.743 1.00 22.23 C ATOM 0 H PHE A 22 -4.208 6.802 1.073 1.00 41.35 H new ATOM 0 HA PHE A 22 -2.878 9.406 0.834 1.00 23.20 H new ATOM 0 HB2 PHE A 22 -5.151 8.244 2.312 1.00 24.12 H new ATOM 0 HB3 PHE A 22 -4.113 9.229 3.323 1.00 24.12 H new ATOM 0 HD1 PHE A 22 -3.277 11.459 1.817 1.00 2.22 H new ATOM 0 HD2 PHE A 22 -6.998 9.403 1.559 1.00 62.12 H new ATOM 0 HE1 PHE A 22 -4.334 13.490 0.928 1.00 40.11 H new ATOM 0 HE2 PHE A 22 -8.058 11.430 0.667 1.00 53.53 H new ATOM 0 HZ PHE A 22 -6.729 13.481 0.353 1.00 22.23 H new ATOM 196 N GLN A 23 -2.267 7.244 3.274 1.00 2.32 N ATOM 197 CA GLN A 23 -1.251 6.816 4.228 1.00 0.05 C ATOM 198 C GLN A 23 -0.046 6.218 3.509 1.00 33.14 C ATOM 199 O GLN A 23 1.099 6.471 3.880 1.00 42.21 O ATOM 200 CB GLN A 23 -1.836 5.794 5.204 1.00 35.04 C ATOM 201 CG GLN A 23 -3.232 6.149 5.692 1.00 21.42 C ATOM 202 CD GLN A 23 -3.404 7.635 5.938 1.00 72.42 C ATOM 203 OE1 GLN A 23 -2.512 8.295 6.472 1.00 74.24 O ATOM 204 NE2 GLN A 23 -4.555 8.170 5.548 1.00 34.34 N ATOM 0 H GLN A 23 -3.137 6.713 3.317 1.00 2.32 H new ATOM 0 HA GLN A 23 -0.920 7.692 4.785 1.00 0.05 H new ATOM 0 HB2 GLN A 23 -1.867 4.818 4.720 1.00 35.04 H new ATOM 0 HB3 GLN A 23 -1.172 5.703 6.063 1.00 35.04 H new ATOM 0 HG2 GLN A 23 -3.965 5.819 4.956 1.00 21.42 H new ATOM 0 HG3 GLN A 23 -3.440 5.606 6.614 1.00 21.42 H new ATOM 0 HE21 GLN A 23 -5.267 7.585 5.109 1.00 34.34 H new ATOM 0 HE22 GLN A 23 -4.728 9.166 5.687 1.00 34.34 H new ATOM 213 N GLY A 24 -0.314 5.422 2.479 1.00 64.25 N ATOM 214 CA GLY A 24 0.759 4.799 1.724 1.00 13.52 C ATOM 215 C GLY A 24 1.907 5.752 1.456 1.00 61.32 C ATOM 216 O GLY A 24 3.068 5.344 1.436 1.00 41.34 O ATOM 0 H GLY A 24 -1.254 5.197 2.153 1.00 64.25 H new ATOM 0 HA2 GLY A 24 1.130 3.933 2.272 1.00 13.52 H new ATOM 0 HA3 GLY A 24 0.366 4.432 0.776 1.00 13.52 H new ATOM 220 N ALA A 25 1.583 7.024 1.248 1.00 72.44 N ATOM 221 CA ALA A 25 2.596 8.036 0.979 1.00 3.33 C ATOM 222 C ALA A 25 3.681 8.024 2.051 1.00 43.43 C ATOM 223 O ALA A 25 4.854 7.796 1.757 1.00 44.43 O ATOM 224 CB ALA A 25 1.956 9.413 0.890 1.00 54.45 C ATOM 0 H ALA A 25 0.626 7.378 1.261 1.00 72.44 H new ATOM 0 HA ALA A 25 3.063 7.802 0.022 1.00 3.33 H new ATOM 0 HB1 ALA A 25 2.725 10.159 0.689 1.00 54.45 H new ATOM 0 HB2 ALA A 25 1.222 9.422 0.084 1.00 54.45 H new ATOM 0 HB3 ALA A 25 1.462 9.646 1.833 1.00 54.45 H new ATOM 230 N MET A 26 3.282 8.272 3.294 1.00 53.12 N ATOM 231 CA MET A 26 4.221 8.289 4.409 1.00 42.20 C ATOM 232 C MET A 26 4.733 6.884 4.710 1.00 12.14 C ATOM 233 O MET A 26 5.661 6.707 5.499 1.00 40.42 O ATOM 234 CB MET A 26 3.557 8.881 5.654 1.00 64.21 C ATOM 235 CG MET A 26 2.722 7.877 6.432 1.00 0.32 C ATOM 236 SD MET A 26 1.514 8.668 7.512 1.00 2.33 S ATOM 237 CE MET A 26 0.506 9.537 6.314 1.00 42.53 C ATOM 0 H MET A 26 2.315 8.464 3.554 1.00 53.12 H new ATOM 0 HA MET A 26 5.069 8.913 4.128 1.00 42.20 H new ATOM 0 HB2 MET A 26 4.328 9.286 6.310 1.00 64.21 H new ATOM 0 HB3 MET A 26 2.922 9.715 5.355 1.00 64.21 H new ATOM 0 HG2 MET A 26 2.204 7.221 5.732 1.00 0.32 H new ATOM 0 HG3 MET A 26 3.381 7.248 7.030 1.00 0.32 H new ATOM 0 HE1 MET A 26 -0.519 9.601 6.679 1.00 42.53 H new ATOM 0 HE2 MET A 26 0.902 10.542 6.166 1.00 42.53 H new ATOM 0 HE3 MET A 26 0.520 8.998 5.367 1.00 42.53 H new ATOM 247 N ALA A 27 4.121 5.888 4.078 1.00 41.10 N ATOM 248 CA ALA A 27 4.516 4.499 4.278 1.00 42.44 C ATOM 249 C ALA A 27 5.798 4.179 3.517 1.00 62.54 C ATOM 250 O ALA A 27 6.487 3.205 3.823 1.00 73.11 O ATOM 251 CB ALA A 27 3.396 3.565 3.846 1.00 30.40 C ATOM 0 H ALA A 27 3.350 6.017 3.423 1.00 41.10 H new ATOM 0 HA ALA A 27 4.708 4.350 5.341 1.00 42.44 H new ATOM 0 HB1 ALA A 27 3.704 2.531 4.001 1.00 30.40 H new ATOM 0 HB2 ALA A 27 2.503 3.770 4.437 1.00 30.40 H new ATOM 0 HB3 ALA A 27 3.177 3.724 2.790 1.00 30.40 H new ATOM 257 N PHE A 28 6.113 5.003 2.523 1.00 71.21 N ATOM 258 CA PHE A 28 7.312 4.805 1.717 1.00 51.54 C ATOM 259 C PHE A 28 8.541 5.373 2.421 1.00 15.40 C ATOM 260 O PHE A 28 9.622 5.455 1.838 1.00 73.53 O ATOM 261 CB PHE A 28 7.145 5.465 0.346 1.00 10.53 C ATOM 262 CG PHE A 28 5.864 5.095 -0.345 1.00 42.24 C ATOM 263 CD1 PHE A 28 5.598 3.777 -0.679 1.00 55.20 C ATOM 264 CD2 PHE A 28 4.927 6.065 -0.663 1.00 2.45 C ATOM 265 CE1 PHE A 28 4.420 3.433 -1.315 1.00 73.13 C ATOM 266 CE2 PHE A 28 3.748 5.727 -1.298 1.00 54.13 C ATOM 267 CZ PHE A 28 3.494 4.410 -1.626 1.00 61.52 C ATOM 0 H PHE A 28 5.555 5.814 2.256 1.00 71.21 H new ATOM 0 HA PHE A 28 7.456 3.733 1.582 1.00 51.54 H new ATOM 0 HB2 PHE A 28 7.184 6.548 0.466 1.00 10.53 H new ATOM 0 HB3 PHE A 28 7.985 5.184 -0.289 1.00 10.53 H new ATOM 0 HD1 PHE A 28 6.319 3.010 -0.440 1.00 55.20 H new ATOM 0 HD2 PHE A 28 5.121 7.097 -0.411 1.00 2.45 H new ATOM 0 HE1 PHE A 28 4.224 2.402 -1.569 1.00 73.13 H new ATOM 0 HE2 PHE A 28 3.025 6.493 -1.538 1.00 54.13 H new ATOM 0 HZ PHE A 28 2.574 4.144 -2.125 1.00 61.52 H new ATOM 277 N ASP A 29 8.366 5.766 3.678 1.00 34.41 N ATOM 278 CA ASP A 29 9.459 6.326 4.463 1.00 22.14 C ATOM 279 C ASP A 29 10.480 5.249 4.819 1.00 12.33 C ATOM 280 O ASP A 29 11.519 5.126 4.172 1.00 54.11 O ATOM 281 CB ASP A 29 8.919 6.976 5.738 1.00 22.44 C ATOM 282 CG ASP A 29 8.192 8.276 5.462 1.00 55.53 C ATOM 283 OD1 ASP A 29 7.876 8.541 4.282 1.00 2.25 O ATOM 284 OD2 ASP A 29 7.936 9.029 6.425 1.00 45.55 O ATOM 0 H ASP A 29 7.477 5.707 4.175 1.00 34.41 H new ATOM 0 HA ASP A 29 9.955 7.086 3.859 1.00 22.14 H new ATOM 0 HB2 ASP A 29 8.241 6.283 6.237 1.00 22.44 H new ATOM 0 HB3 ASP A 29 9.745 7.164 6.424 1.00 22.44 H new ATOM 289 N GLY A 30 10.176 4.472 5.855 1.00 42.04 N ATOM 290 CA GLY A 30 11.077 3.417 6.279 1.00 25.14 C ATOM 291 C GLY A 30 10.377 2.351 7.098 1.00 71.42 C ATOM 292 O GLY A 30 11.026 1.502 7.708 1.00 20.11 O ATOM 0 H GLY A 30 9.322 4.555 6.407 1.00 42.04 H new ATOM 0 HA2 GLY A 30 11.531 2.957 5.401 1.00 25.14 H new ATOM 0 HA3 GLY A 30 11.887 3.849 6.867 1.00 25.14 H new ATOM 296 N GLU A 31 9.048 2.395 7.112 1.00 43.11 N ATOM 297 CA GLU A 31 8.260 1.426 7.864 1.00 1.13 C ATOM 298 C GLU A 31 8.387 0.032 7.256 1.00 10.23 C ATOM 299 O GLU A 31 9.040 -0.151 6.229 1.00 60.51 O ATOM 300 CB GLU A 31 6.790 1.848 7.898 1.00 33.33 C ATOM 301 CG GLU A 31 6.167 1.996 6.520 1.00 10.12 C ATOM 302 CD GLU A 31 5.486 0.726 6.048 1.00 40.20 C ATOM 303 OE1 GLU A 31 4.539 0.275 6.725 1.00 32.32 O ATOM 304 OE2 GLU A 31 5.900 0.184 5.002 1.00 20.12 O ATOM 0 H GLU A 31 8.495 3.091 6.611 1.00 43.11 H new ATOM 0 HA GLU A 31 8.645 1.395 8.883 1.00 1.13 H new ATOM 0 HB2 GLU A 31 6.222 1.112 8.467 1.00 33.33 H new ATOM 0 HB3 GLU A 31 6.705 2.796 8.430 1.00 33.33 H new ATOM 0 HG2 GLU A 31 5.440 2.808 6.539 1.00 10.12 H new ATOM 0 HG3 GLU A 31 6.940 2.277 5.804 1.00 10.12 H new ATOM 311 N ASP A 32 7.759 -0.946 7.899 1.00 74.24 N ATOM 312 CA ASP A 32 7.800 -2.324 7.422 1.00 11.20 C ATOM 313 C ASP A 32 6.391 -2.861 7.191 1.00 61.41 C ATOM 314 O ASP A 32 5.430 -2.097 7.119 1.00 74.03 O ATOM 315 CB ASP A 32 8.540 -3.211 8.425 1.00 54.13 C ATOM 316 CG ASP A 32 9.678 -3.982 7.786 1.00 41.31 C ATOM 317 OD1 ASP A 32 10.543 -3.344 7.151 1.00 4.41 O ATOM 318 OD2 ASP A 32 9.703 -5.223 7.920 1.00 23.32 O ATOM 0 H ASP A 32 7.216 -0.811 8.752 1.00 74.24 H new ATOM 0 HA ASP A 32 8.335 -2.339 6.472 1.00 11.20 H new ATOM 0 HB2 ASP A 32 8.932 -2.593 9.232 1.00 54.13 H new ATOM 0 HB3 ASP A 32 7.837 -3.912 8.874 1.00 54.13 H new ATOM 323 N GLU A 33 6.278 -4.181 7.075 1.00 42.13 N ATOM 324 CA GLU A 33 4.987 -4.820 6.850 1.00 52.53 C ATOM 325 C GLU A 33 4.553 -5.616 8.077 1.00 73.23 C ATOM 326 O GLU A 33 5.349 -5.867 8.981 1.00 31.44 O ATOM 327 CB GLU A 33 5.053 -5.739 5.628 1.00 4.14 C ATOM 328 CG GLU A 33 6.436 -6.316 5.376 1.00 60.31 C ATOM 329 CD GLU A 33 6.422 -7.439 4.356 1.00 3.43 C ATOM 330 OE1 GLU A 33 5.366 -7.654 3.726 1.00 14.21 O ATOM 331 OE2 GLU A 33 7.467 -8.102 4.189 1.00 50.43 O ATOM 0 H GLU A 33 7.065 -4.828 7.133 1.00 42.13 H new ATOM 0 HA GLU A 33 4.250 -4.038 6.667 1.00 52.53 H new ATOM 0 HB2 GLU A 33 4.345 -6.557 5.760 1.00 4.14 H new ATOM 0 HB3 GLU A 33 4.735 -5.182 4.747 1.00 4.14 H new ATOM 0 HG2 GLU A 33 7.099 -5.523 5.029 1.00 60.31 H new ATOM 0 HG3 GLU A 33 6.847 -6.688 6.315 1.00 60.31 H new ATOM 338 N VAL A 34 3.283 -6.011 8.100 1.00 5.42 N ATOM 339 CA VAL A 34 2.742 -6.779 9.215 1.00 63.12 C ATOM 340 C VAL A 34 2.676 -8.264 8.877 1.00 32.34 C ATOM 341 O VAL A 34 2.835 -8.658 7.721 1.00 22.14 O ATOM 342 CB VAL A 34 1.335 -6.289 9.604 1.00 51.22 C ATOM 343 CG1 VAL A 34 0.283 -7.310 9.199 1.00 33.15 C ATOM 344 CG2 VAL A 34 1.265 -6.001 11.096 1.00 71.11 C ATOM 0 H VAL A 34 2.611 -5.812 7.359 1.00 5.42 H new ATOM 0 HA VAL A 34 3.416 -6.630 10.059 1.00 63.12 H new ATOM 0 HB VAL A 34 1.131 -5.362 9.069 1.00 51.22 H new ATOM 0 HG11 VAL A 34 -0.705 -6.946 9.482 1.00 33.15 H new ATOM 0 HG12 VAL A 34 0.319 -7.461 8.120 1.00 33.15 H new ATOM 0 HG13 VAL A 34 0.480 -8.255 9.704 1.00 33.15 H new ATOM 0 HG21 VAL A 34 0.264 -5.656 11.353 1.00 71.11 H new ATOM 0 HG22 VAL A 34 1.490 -6.911 11.653 1.00 71.11 H new ATOM 0 HG23 VAL A 34 1.992 -5.230 11.352 1.00 71.11 H new ATOM 354 N THR A 35 2.439 -9.087 9.895 1.00 55.24 N ATOM 355 CA THR A 35 2.351 -10.529 9.707 1.00 63.42 C ATOM 356 C THR A 35 0.905 -10.973 9.521 1.00 71.23 C ATOM 357 O THR A 35 0.607 -11.812 8.672 1.00 61.41 O ATOM 358 CB THR A 35 2.960 -11.289 10.901 1.00 70.25 C ATOM 359 OG1 THR A 35 2.167 -11.075 12.073 1.00 0.24 O ATOM 360 CG2 THR A 35 4.389 -10.836 11.159 1.00 61.15 C ATOM 0 H THR A 35 2.305 -8.778 10.858 1.00 55.24 H new ATOM 0 HA THR A 35 2.919 -10.765 8.807 1.00 63.42 H new ATOM 0 HB THR A 35 2.971 -12.352 10.660 1.00 70.25 H new ATOM 0 HG1 THR A 35 2.716 -11.224 12.871 1.00 0.24 H new ATOM 0 HG21 THR A 35 4.798 -11.386 12.006 1.00 61.15 H new ATOM 0 HG22 THR A 35 4.997 -11.028 10.275 1.00 61.15 H new ATOM 0 HG23 THR A 35 4.398 -9.769 11.381 1.00 61.15 H new ATOM 368 N GLY A 36 0.008 -10.403 10.320 1.00 21.32 N ATOM 369 CA GLY A 36 -1.397 -10.753 10.227 1.00 52.12 C ATOM 370 C GLY A 36 -2.200 -10.248 11.409 1.00 11.12 C ATOM 371 O GLY A 36 -3.086 -9.404 11.271 1.00 43.14 O ATOM 0 H GLY A 36 0.230 -9.705 11.030 1.00 21.32 H new ATOM 0 HA2 GLY A 36 -1.811 -10.340 9.307 1.00 52.12 H new ATOM 0 HA3 GLY A 36 -1.495 -11.837 10.162 1.00 52.12 H new ATOM 375 N PRO A 37 -1.893 -10.772 12.605 1.00 2.42 N ATOM 376 CA PRO A 37 -2.582 -10.384 13.840 1.00 64.02 C ATOM 377 C PRO A 37 -2.246 -8.959 14.268 1.00 74.41 C ATOM 378 O PRO A 37 -1.209 -8.415 13.889 1.00 31.11 O ATOM 379 CB PRO A 37 -2.058 -11.389 14.869 1.00 42.13 C ATOM 380 CG PRO A 37 -0.729 -11.812 14.343 1.00 15.31 C ATOM 381 CD PRO A 37 -0.849 -11.782 12.844 1.00 24.05 C ATOM 0 HA PRO A 37 -3.666 -10.398 13.724 1.00 64.02 H new ATOM 0 HB2 PRO A 37 -1.967 -10.934 15.855 1.00 42.13 H new ATOM 0 HB3 PRO A 37 -2.732 -12.239 14.971 1.00 42.13 H new ATOM 0 HG2 PRO A 37 0.058 -11.140 14.685 1.00 15.31 H new ATOM 0 HG3 PRO A 37 -0.470 -12.811 14.694 1.00 15.31 H new ATOM 0 HD2 PRO A 37 0.093 -11.505 12.371 1.00 24.05 H new ATOM 0 HD3 PRO A 37 -1.133 -12.755 12.444 1.00 24.05 H new ATOM 389 N ASP A 38 -3.130 -8.361 15.059 1.00 22.23 N ATOM 390 CA ASP A 38 -2.926 -7.000 15.540 1.00 15.45 C ATOM 391 C ASP A 38 -1.639 -6.897 16.353 1.00 53.12 C ATOM 392 O ASP A 38 -1.007 -5.842 16.401 1.00 20.34 O ATOM 393 CB ASP A 38 -4.117 -6.553 16.390 1.00 54.00 C ATOM 394 CG ASP A 38 -4.650 -7.666 17.271 1.00 2.11 C ATOM 395 OD1 ASP A 38 -4.162 -7.804 18.413 1.00 55.22 O ATOM 396 OD2 ASP A 38 -5.554 -8.398 16.819 1.00 34.43 O ATOM 0 H ASP A 38 -3.994 -8.797 15.380 1.00 22.23 H new ATOM 0 HA ASP A 38 -2.840 -6.344 14.673 1.00 15.45 H new ATOM 0 HB2 ASP A 38 -3.818 -5.711 17.014 1.00 54.00 H new ATOM 0 HB3 ASP A 38 -4.914 -6.198 15.736 1.00 54.00 H new ATOM 401 N ALA A 39 -1.258 -7.999 16.990 1.00 32.11 N ATOM 402 CA ALA A 39 -0.046 -8.033 17.799 1.00 35.35 C ATOM 403 C ALA A 39 1.164 -7.570 16.996 1.00 53.22 C ATOM 404 O ALA A 39 2.082 -6.954 17.538 1.00 61.42 O ATOM 405 CB ALA A 39 0.185 -9.435 18.345 1.00 52.25 C ATOM 0 H ALA A 39 -1.771 -8.880 16.962 1.00 32.11 H new ATOM 0 HA ALA A 39 -0.178 -7.346 18.635 1.00 35.35 H new ATOM 0 HB1 ALA A 39 1.093 -9.446 18.947 1.00 52.25 H new ATOM 0 HB2 ALA A 39 -0.663 -9.729 18.963 1.00 52.25 H new ATOM 0 HB3 ALA A 39 0.291 -10.135 17.516 1.00 52.25 H new ATOM 411 N ASP A 40 1.159 -7.870 15.702 1.00 54.53 N ATOM 412 CA ASP A 40 2.256 -7.483 14.823 1.00 64.10 C ATOM 413 C ASP A 40 2.077 -6.052 14.327 1.00 41.33 C ATOM 414 O ASP A 40 3.053 -5.337 14.097 1.00 71.21 O ATOM 415 CB ASP A 40 2.347 -8.441 13.634 1.00 45.31 C ATOM 416 CG ASP A 40 3.587 -9.312 13.686 1.00 31.20 C ATOM 417 OD1 ASP A 40 4.654 -8.855 13.224 1.00 32.45 O ATOM 418 OD2 ASP A 40 3.490 -10.451 14.189 1.00 1.12 O ATOM 0 H ASP A 40 0.407 -8.380 15.238 1.00 54.53 H new ATOM 0 HA ASP A 40 3.183 -7.536 15.394 1.00 64.10 H new ATOM 0 HB2 ASP A 40 1.461 -9.076 13.614 1.00 45.31 H new ATOM 0 HB3 ASP A 40 2.349 -7.867 12.708 1.00 45.31 H new ATOM 423 N ARG A 41 0.824 -5.640 14.163 1.00 61.44 N ATOM 424 CA ARG A 41 0.517 -4.295 13.691 1.00 21.32 C ATOM 425 C ARG A 41 0.871 -3.254 14.750 1.00 74.55 C ATOM 426 O ARG A 41 1.467 -2.222 14.444 1.00 22.42 O ATOM 427 CB ARG A 41 -0.965 -4.185 13.327 1.00 23.33 C ATOM 428 CG ARG A 41 -1.812 -3.539 14.411 1.00 22.45 C ATOM 429 CD ARG A 41 -3.266 -3.420 13.985 1.00 55.24 C ATOM 430 NE ARG A 41 -4.183 -3.849 15.038 1.00 61.14 N ATOM 431 CZ ARG A 41 -4.212 -3.310 16.251 1.00 30.03 C ATOM 432 NH1 ARG A 41 -3.380 -2.326 16.563 1.00 12.14 N ATOM 433 NH2 ARG A 41 -5.075 -3.755 17.156 1.00 71.03 N ATOM 0 H ARG A 41 0.005 -6.218 14.350 1.00 61.44 H new ATOM 0 HA ARG A 41 1.117 -4.103 12.802 1.00 21.32 H new ATOM 0 HB2 ARG A 41 -1.063 -3.607 12.408 1.00 23.33 H new ATOM 0 HB3 ARG A 41 -1.354 -5.182 13.119 1.00 23.33 H new ATOM 0 HG2 ARG A 41 -1.747 -4.129 15.325 1.00 22.45 H new ATOM 0 HG3 ARG A 41 -1.417 -2.550 14.641 1.00 22.45 H new ATOM 0 HD2 ARG A 41 -3.481 -2.386 13.716 1.00 55.24 H new ATOM 0 HD3 ARG A 41 -3.432 -4.023 13.092 1.00 55.24 H new ATOM 0 HE ARG A 41 -4.837 -4.604 14.830 1.00 61.14 H new ATOM 0 HH11 ARG A 41 -2.715 -1.981 15.870 1.00 12.14 H new ATOM 0 HH12 ARG A 41 -3.405 -1.914 17.496 1.00 12.14 H new ATOM 0 HH21 ARG A 41 -5.717 -4.512 16.920 1.00 71.03 H new ATOM 0 HH22 ARG A 41 -5.096 -3.340 18.088 1.00 71.03 H new ATOM 447 N ALA A 42 0.498 -3.533 15.994 1.00 34.42 N ATOM 448 CA ALA A 42 0.776 -2.623 17.098 1.00 44.45 C ATOM 449 C ALA A 42 2.261 -2.621 17.446 1.00 51.51 C ATOM 450 O ALA A 42 2.817 -1.591 17.828 1.00 41.35 O ATOM 451 CB ALA A 42 -0.053 -3.000 18.316 1.00 72.01 C ATOM 0 H ALA A 42 0.002 -4.383 16.263 1.00 34.42 H new ATOM 0 HA ALA A 42 0.501 -1.616 16.784 1.00 44.45 H new ATOM 0 HB1 ALA A 42 0.166 -2.311 19.132 1.00 72.01 H new ATOM 0 HB2 ALA A 42 -1.113 -2.943 18.067 1.00 72.01 H new ATOM 0 HB3 ALA A 42 0.193 -4.016 18.623 1.00 72.01 H new ATOM 457 N ARG A 43 2.897 -3.780 17.313 1.00 52.11 N ATOM 458 CA ARG A 43 4.317 -3.912 17.616 1.00 52.43 C ATOM 459 C ARG A 43 5.169 -3.315 16.499 1.00 15.32 C ATOM 460 O ARG A 43 6.183 -2.667 16.757 1.00 33.32 O ATOM 461 CB ARG A 43 4.682 -5.383 17.819 1.00 24.14 C ATOM 462 CG ARG A 43 5.059 -6.101 16.534 1.00 52.35 C ATOM 463 CD ARG A 43 5.281 -7.586 16.769 1.00 20.53 C ATOM 464 NE ARG A 43 6.039 -8.205 15.685 1.00 32.41 N ATOM 465 CZ ARG A 43 7.359 -8.119 15.569 1.00 63.20 C ATOM 466 NH1 ARG A 43 8.064 -7.444 16.466 1.00 43.31 N ATOM 467 NH2 ARG A 43 7.977 -8.710 14.554 1.00 2.11 N ATOM 0 H ARG A 43 2.451 -4.641 16.997 1.00 52.11 H new ATOM 0 HA ARG A 43 4.519 -3.364 18.536 1.00 52.43 H new ATOM 0 HB2 ARG A 43 5.515 -5.448 18.519 1.00 24.14 H new ATOM 0 HB3 ARG A 43 3.838 -5.898 18.278 1.00 24.14 H new ATOM 0 HG2 ARG A 43 4.271 -5.963 15.794 1.00 52.35 H new ATOM 0 HG3 ARG A 43 5.965 -5.658 16.121 1.00 52.35 H new ATOM 0 HD2 ARG A 43 5.812 -7.729 17.710 1.00 20.53 H new ATOM 0 HD3 ARG A 43 4.317 -8.085 16.868 1.00 20.53 H new ATOM 0 HE ARG A 43 5.526 -8.732 14.978 1.00 32.41 H new ATOM 0 HH11 ARG A 43 7.593 -6.989 17.248 1.00 43.31 H new ATOM 0 HH12 ARG A 43 9.078 -7.380 16.374 1.00 43.31 H new ATOM 0 HH21 ARG A 43 7.438 -9.231 13.862 1.00 2.11 H new ATOM 0 HH22 ARG A 43 8.991 -8.643 14.466 1.00 2.11 H new ATOM 481 N ALA A 44 4.749 -3.538 15.258 1.00 12.11 N ATOM 482 CA ALA A 44 5.472 -3.021 14.103 1.00 73.23 C ATOM 483 C ALA A 44 5.236 -1.524 13.932 1.00 73.42 C ATOM 484 O ALA A 44 6.176 -0.731 13.961 1.00 12.14 O ATOM 485 CB ALA A 44 5.059 -3.770 12.844 1.00 51.31 C ATOM 0 H ALA A 44 3.912 -4.073 15.027 1.00 12.11 H new ATOM 0 HA ALA A 44 6.537 -3.177 14.273 1.00 73.23 H new ATOM 0 HB1 ALA A 44 5.607 -3.374 11.989 1.00 51.31 H new ATOM 0 HB2 ALA A 44 5.285 -4.830 12.960 1.00 51.31 H new ATOM 0 HB3 ALA A 44 3.989 -3.643 12.680 1.00 51.31 H new ATOM 491 N ALA A 45 3.975 -1.146 13.752 1.00 15.43 N ATOM 492 CA ALA A 45 3.615 0.256 13.578 1.00 44.21 C ATOM 493 C ALA A 45 4.068 1.091 14.771 1.00 42.43 C ATOM 494 O ALA A 45 4.082 2.320 14.710 1.00 2.43 O ATOM 495 CB ALA A 45 2.114 0.395 13.374 1.00 60.14 C ATOM 0 H ALA A 45 3.185 -1.791 13.723 1.00 15.43 H new ATOM 0 HA ALA A 45 4.127 0.629 12.691 1.00 44.21 H new ATOM 0 HB1 ALA A 45 1.860 1.447 13.246 1.00 60.14 H new ATOM 0 HB2 ALA A 45 1.814 -0.162 12.486 1.00 60.14 H new ATOM 0 HB3 ALA A 45 1.590 -0.001 14.244 1.00 60.14 H new ATOM 501 N ALA A 46 4.437 0.416 15.854 1.00 23.11 N ATOM 502 CA ALA A 46 4.892 1.096 17.060 1.00 11.24 C ATOM 503 C ALA A 46 6.269 1.717 16.855 1.00 44.04 C ATOM 504 O ALA A 46 6.404 2.937 16.759 1.00 13.15 O ATOM 505 CB ALA A 46 4.917 0.129 18.234 1.00 20.53 C ATOM 0 H ALA A 46 4.430 -0.602 15.921 1.00 23.11 H new ATOM 0 HA ALA A 46 4.189 1.900 17.280 1.00 11.24 H new ATOM 0 HB1 ALA A 46 5.259 0.651 19.128 1.00 20.53 H new ATOM 0 HB2 ALA A 46 3.914 -0.263 18.404 1.00 20.53 H new ATOM 0 HB3 ALA A 46 5.596 -0.695 18.013 1.00 20.53 H new ATOM 511 N VAL A 47 7.291 0.870 16.787 1.00 23.42 N ATOM 512 CA VAL A 47 8.659 1.335 16.592 1.00 1.42 C ATOM 513 C VAL A 47 9.204 0.889 15.240 1.00 0.41 C ATOM 514 O VAL A 47 10.275 1.325 14.818 1.00 71.40 O ATOM 515 CB VAL A 47 9.591 0.820 17.705 1.00 65.25 C ATOM 516 CG1 VAL A 47 10.960 1.477 17.602 1.00 74.32 C ATOM 517 CG2 VAL A 47 8.974 1.066 19.073 1.00 23.30 C ATOM 0 H VAL A 47 7.197 -0.143 16.864 1.00 23.42 H new ATOM 0 HA VAL A 47 8.631 2.424 16.627 1.00 1.42 H new ATOM 0 HB VAL A 47 9.720 -0.255 17.578 1.00 65.25 H new ATOM 0 HG11 VAL A 47 11.605 1.101 18.396 1.00 74.32 H new ATOM 0 HG12 VAL A 47 11.403 1.244 16.634 1.00 74.32 H new ATOM 0 HG13 VAL A 47 10.854 2.557 17.702 1.00 74.32 H new ATOM 0 HG21 VAL A 47 9.646 0.696 19.847 1.00 23.30 H new ATOM 0 HG22 VAL A 47 8.813 2.135 19.213 1.00 23.30 H new ATOM 0 HG23 VAL A 47 8.020 0.544 19.141 1.00 23.30 H new ATOM 527 N GLN A 48 8.459 0.019 14.566 1.00 41.32 N ATOM 528 CA GLN A 48 8.868 -0.486 13.261 1.00 43.23 C ATOM 529 C GLN A 48 8.484 0.491 12.154 1.00 30.31 C ATOM 530 O GLN A 48 9.245 0.707 11.211 1.00 21.45 O ATOM 531 CB GLN A 48 8.231 -1.851 12.996 1.00 24.22 C ATOM 532 CG GLN A 48 9.087 -2.765 12.134 1.00 41.23 C ATOM 533 CD GLN A 48 9.952 -3.701 12.955 1.00 44.54 C ATOM 534 OE1 GLN A 48 10.702 -3.265 13.829 1.00 44.45 O ATOM 535 NE2 GLN A 48 9.853 -4.995 12.678 1.00 75.43 N ATOM 0 H GLN A 48 7.570 -0.351 14.902 1.00 41.32 H new ATOM 0 HA GLN A 48 9.953 -0.594 13.265 1.00 43.23 H new ATOM 0 HB2 GLN A 48 8.035 -2.343 13.949 1.00 24.22 H new ATOM 0 HB3 GLN A 48 7.267 -1.704 12.509 1.00 24.22 H new ATOM 0 HG2 GLN A 48 8.441 -3.352 11.481 1.00 41.23 H new ATOM 0 HG3 GLN A 48 9.724 -2.159 11.490 1.00 41.23 H new ATOM 0 HE21 GLN A 48 9.218 -5.313 11.945 1.00 75.43 H new ATOM 0 HE22 GLN A 48 10.411 -5.672 13.198 1.00 75.43 H new ATOM 544 N ALA A 49 7.298 1.078 12.276 1.00 70.05 N ATOM 545 CA ALA A 49 6.813 2.033 11.286 1.00 24.24 C ATOM 546 C ALA A 49 6.960 3.465 11.788 1.00 1.24 C ATOM 547 O ALA A 49 6.705 4.420 11.054 1.00 1.13 O ATOM 548 CB ALA A 49 5.362 1.740 10.937 1.00 32.10 C ATOM 0 H ALA A 49 6.655 0.909 13.050 1.00 70.05 H new ATOM 0 HA ALA A 49 7.420 1.927 10.387 1.00 24.24 H new ATOM 0 HB1 ALA A 49 5.013 2.460 10.197 1.00 32.10 H new ATOM 0 HB2 ALA A 49 5.282 0.733 10.528 1.00 32.10 H new ATOM 0 HB3 ALA A 49 4.749 1.817 11.835 1.00 32.10 H new ATOM 554 N VAL A 50 7.372 3.608 13.044 1.00 11.21 N ATOM 555 CA VAL A 50 7.553 4.925 13.644 1.00 33.42 C ATOM 556 C VAL A 50 8.892 5.532 13.243 1.00 2.11 C ATOM 557 O VAL A 50 9.070 6.750 13.227 1.00 54.34 O ATOM 558 CB VAL A 50 7.472 4.857 15.181 1.00 72.12 C ATOM 559 CG1 VAL A 50 8.518 5.764 15.811 1.00 33.33 C ATOM 560 CG2 VAL A 50 6.076 5.228 15.657 1.00 14.12 C ATOM 0 H VAL A 50 7.587 2.828 13.666 1.00 11.21 H new ATOM 0 HA VAL A 50 6.746 5.556 13.272 1.00 33.42 H new ATOM 0 HB VAL A 50 7.678 3.833 15.494 1.00 72.12 H new ATOM 0 HG11 VAL A 50 8.446 5.703 16.897 1.00 33.33 H new ATOM 0 HG12 VAL A 50 9.512 5.447 15.495 1.00 33.33 H new ATOM 0 HG13 VAL A 50 8.347 6.792 15.493 1.00 33.33 H new ATOM 0 HG21 VAL A 50 6.036 5.175 16.745 1.00 14.12 H new ATOM 0 HG22 VAL A 50 5.839 6.242 15.334 1.00 14.12 H new ATOM 0 HG23 VAL A 50 5.351 4.534 15.233 1.00 14.12 H new ATOM 570 N PRO A 51 9.860 4.664 12.911 1.00 54.43 N ATOM 571 CA PRO A 51 11.201 5.092 12.502 1.00 13.40 C ATOM 572 C PRO A 51 11.202 5.768 11.135 1.00 1.32 C ATOM 573 O PRO A 51 12.203 6.353 10.722 1.00 73.52 O ATOM 574 CB PRO A 51 11.991 3.783 12.452 1.00 61.54 C ATOM 575 CG PRO A 51 10.965 2.730 12.210 1.00 70.04 C ATOM 576 CD PRO A 51 9.718 3.199 12.908 1.00 64.42 C ATOM 0 HA PRO A 51 11.619 5.832 13.185 1.00 13.40 H new ATOM 0 HB2 PRO A 51 12.736 3.800 11.656 1.00 61.54 H new ATOM 0 HB3 PRO A 51 12.526 3.608 13.385 1.00 61.54 H new ATOM 0 HG2 PRO A 51 10.788 2.596 11.143 1.00 70.04 H new ATOM 0 HG3 PRO A 51 11.293 1.768 12.602 1.00 70.04 H new ATOM 0 HD2 PRO A 51 8.819 2.883 12.379 1.00 64.42 H new ATOM 0 HD3 PRO A 51 9.649 2.800 13.920 1.00 64.42 H new ATOM 584 N GLY A 52 10.073 5.685 10.437 1.00 2.05 N ATOM 585 CA GLY A 52 9.966 6.294 9.124 1.00 21.44 C ATOM 586 C GLY A 52 9.413 7.704 9.182 1.00 30.34 C ATOM 587 O GLY A 52 9.701 8.527 8.315 1.00 53.13 O ATOM 0 H GLY A 52 9.231 5.207 10.758 1.00 2.05 H new ATOM 0 HA2 GLY A 52 10.949 6.312 8.654 1.00 21.44 H new ATOM 0 HA3 GLY A 52 9.322 5.680 8.494 1.00 21.44 H new ATOM 591 N GLY A 53 8.614 7.983 10.208 1.00 2.01 N ATOM 592 CA GLY A 53 8.030 9.303 10.356 1.00 44.44 C ATOM 593 C GLY A 53 6.854 9.314 11.312 1.00 62.24 C ATOM 594 O GLY A 53 6.616 10.303 12.006 1.00 64.13 O ATOM 0 H GLY A 53 8.361 7.318 10.939 1.00 2.01 H new ATOM 0 HA2 GLY A 53 8.792 9.996 10.714 1.00 44.44 H new ATOM 0 HA3 GLY A 53 7.704 9.664 9.380 1.00 44.44 H new ATOM 598 N THR A 54 6.113 8.210 11.348 1.00 4.42 N ATOM 599 CA THR A 54 4.954 8.097 12.224 1.00 52.13 C ATOM 600 C THR A 54 4.653 6.639 12.551 1.00 13.15 C ATOM 601 O THR A 54 5.152 5.729 11.891 1.00 24.22 O ATOM 602 CB THR A 54 3.705 8.737 11.588 1.00 62.11 C ATOM 603 OG1 THR A 54 4.086 9.854 10.777 1.00 1.02 O ATOM 604 CG2 THR A 54 2.725 9.192 12.659 1.00 63.31 C ATOM 0 H THR A 54 6.295 7.382 10.781 1.00 4.42 H new ATOM 0 HA THR A 54 5.199 8.630 13.143 1.00 52.13 H new ATOM 0 HB THR A 54 3.216 7.987 10.966 1.00 62.11 H new ATOM 0 HG1 THR A 54 3.287 10.254 10.375 1.00 1.02 H new ATOM 0 HG21 THR A 54 1.851 9.641 12.186 1.00 63.31 H new ATOM 0 HG22 THR A 54 2.414 8.334 13.256 1.00 63.31 H new ATOM 0 HG23 THR A 54 3.206 9.928 13.304 1.00 63.31 H new ATOM 612 N ALA A 55 3.832 6.425 13.575 1.00 63.32 N ATOM 613 CA ALA A 55 3.463 5.077 13.988 1.00 34.31 C ATOM 614 C ALA A 55 2.455 4.463 13.022 1.00 64.05 C ATOM 615 O ALA A 55 1.307 4.210 13.384 1.00 63.11 O ATOM 616 CB ALA A 55 2.898 5.094 15.401 1.00 62.01 C ATOM 0 H ALA A 55 3.411 7.168 14.133 1.00 63.32 H new ATOM 0 HA ALA A 55 4.362 4.461 13.974 1.00 34.31 H new ATOM 0 HB1 ALA A 55 2.627 4.081 15.697 1.00 62.01 H new ATOM 0 HB2 ALA A 55 3.649 5.484 16.088 1.00 62.01 H new ATOM 0 HB3 ALA A 55 2.013 5.730 15.431 1.00 62.01 H new ATOM 622 N GLY A 56 2.893 4.227 11.788 1.00 25.55 N ATOM 623 CA GLY A 56 2.017 3.645 10.789 1.00 50.14 C ATOM 624 C GLY A 56 2.731 2.643 9.904 1.00 63.03 C ATOM 625 O GLY A 56 3.517 3.022 9.036 1.00 22.20 O ATOM 0 H GLY A 56 3.839 4.429 11.463 1.00 25.55 H new ATOM 0 HA2 GLY A 56 1.180 3.154 11.286 1.00 50.14 H new ATOM 0 HA3 GLY A 56 1.599 4.439 10.170 1.00 50.14 H new ATOM 629 N GLU A 57 2.459 1.361 10.125 1.00 72.34 N ATOM 630 CA GLU A 57 3.084 0.302 9.341 1.00 20.43 C ATOM 631 C GLU A 57 2.190 -0.114 8.176 1.00 10.44 C ATOM 632 O GLU A 57 1.276 0.615 7.790 1.00 31.03 O ATOM 633 CB GLU A 57 3.382 -0.910 10.227 1.00 61.12 C ATOM 634 CG GLU A 57 4.770 -1.491 10.016 1.00 70.41 C ATOM 635 CD GLU A 57 4.754 -3.000 9.865 1.00 33.22 C ATOM 636 OE1 GLU A 57 3.649 -3.577 9.786 1.00 23.33 O ATOM 637 OE2 GLU A 57 5.847 -3.604 9.826 1.00 14.41 O ATOM 0 H GLU A 57 1.811 1.031 10.840 1.00 72.34 H new ATOM 0 HA GLU A 57 4.020 0.688 8.938 1.00 20.43 H new ATOM 0 HB2 GLU A 57 3.273 -0.621 11.272 1.00 61.12 H new ATOM 0 HB3 GLU A 57 2.640 -1.684 10.031 1.00 61.12 H new ATOM 0 HG2 GLU A 57 5.215 -1.045 9.126 1.00 70.41 H new ATOM 0 HG3 GLU A 57 5.405 -1.221 10.860 1.00 70.41 H new ATOM 644 N VAL A 58 2.461 -1.290 7.620 1.00 43.11 N ATOM 645 CA VAL A 58 1.682 -1.804 6.500 1.00 43.55 C ATOM 646 C VAL A 58 1.213 -3.229 6.765 1.00 75.43 C ATOM 647 O VAL A 58 2.024 -4.136 6.949 1.00 72.14 O ATOM 648 CB VAL A 58 2.495 -1.778 5.192 1.00 45.53 C ATOM 649 CG1 VAL A 58 1.830 -2.642 4.132 1.00 64.51 C ATOM 650 CG2 VAL A 58 2.663 -0.349 4.697 1.00 1.44 C ATOM 0 H VAL A 58 3.215 -1.905 7.927 1.00 43.11 H new ATOM 0 HA VAL A 58 0.814 -1.153 6.393 1.00 43.55 H new ATOM 0 HB VAL A 58 3.485 -2.188 5.393 1.00 45.53 H new ATOM 0 HG11 VAL A 58 2.419 -2.611 3.215 1.00 64.51 H new ATOM 0 HG12 VAL A 58 1.767 -3.670 4.488 1.00 64.51 H new ATOM 0 HG13 VAL A 58 0.827 -2.265 3.932 1.00 64.51 H new ATOM 0 HG21 VAL A 58 3.240 -0.350 3.772 1.00 1.44 H new ATOM 0 HG22 VAL A 58 1.682 0.090 4.513 1.00 1.44 H new ATOM 0 HG23 VAL A 58 3.187 0.238 5.451 1.00 1.44 H new ATOM 660 N GLU A 59 -0.103 -3.420 6.782 1.00 11.44 N ATOM 661 CA GLU A 59 -0.681 -4.736 7.026 1.00 63.35 C ATOM 662 C GLU A 59 -0.952 -5.463 5.711 1.00 4.32 C ATOM 663 O GLU A 59 -1.465 -4.876 4.758 1.00 40.02 O ATOM 664 CB GLU A 59 -1.978 -4.609 7.827 1.00 2.41 C ATOM 665 CG GLU A 59 -1.843 -3.745 9.070 1.00 42.33 C ATOM 666 CD GLU A 59 -2.372 -4.428 10.316 1.00 63.13 C ATOM 667 OE1 GLU A 59 -1.720 -5.382 10.790 1.00 73.51 O ATOM 668 OE2 GLU A 59 -3.436 -4.009 10.816 1.00 32.53 O ATOM 0 H GLU A 59 -0.788 -2.680 6.630 1.00 11.44 H new ATOM 0 HA GLU A 59 0.038 -5.318 7.603 1.00 63.35 H new ATOM 0 HB2 GLU A 59 -2.752 -4.189 7.185 1.00 2.41 H new ATOM 0 HB3 GLU A 59 -2.313 -5.604 8.121 1.00 2.41 H new ATOM 0 HG2 GLU A 59 -0.794 -3.490 9.218 1.00 42.33 H new ATOM 0 HG3 GLU A 59 -2.380 -2.809 8.917 1.00 42.33 H new ATOM 675 N THR A 60 -0.602 -6.745 5.667 1.00 11.33 N ATOM 676 CA THR A 60 -0.805 -7.552 4.471 1.00 51.21 C ATOM 677 C THR A 60 -1.318 -8.943 4.826 1.00 12.53 C ATOM 678 O THR A 60 -0.623 -9.722 5.477 1.00 74.20 O ATOM 679 CB THR A 60 0.496 -7.689 3.658 1.00 23.24 C ATOM 680 OG1 THR A 60 0.305 -8.610 2.578 1.00 14.43 O ATOM 681 CG2 THR A 60 1.638 -8.168 4.542 1.00 1.44 C ATOM 0 H THR A 60 -0.176 -7.246 6.447 1.00 11.33 H new ATOM 0 HA THR A 60 -1.551 -7.037 3.865 1.00 51.21 H new ATOM 0 HB THR A 60 0.753 -6.708 3.258 1.00 23.24 H new ATOM 0 HG1 THR A 60 1.136 -8.690 2.065 1.00 14.43 H new ATOM 0 HG21 THR A 60 2.546 -8.257 3.946 1.00 1.44 H new ATOM 0 HG22 THR A 60 1.801 -7.451 5.347 1.00 1.44 H new ATOM 0 HG23 THR A 60 1.386 -9.139 4.967 1.00 1.44 H new ATOM 689 N GLU A 61 -2.538 -9.247 4.394 1.00 11.43 N ATOM 690 CA GLU A 61 -3.143 -10.545 4.668 1.00 12.21 C ATOM 691 C GLU A 61 -3.525 -11.251 3.371 1.00 74.43 C ATOM 692 O GLU A 61 -3.344 -10.712 2.279 1.00 42.42 O ATOM 693 CB GLU A 61 -4.379 -10.379 5.555 1.00 71.41 C ATOM 694 CG GLU A 61 -4.242 -11.036 6.918 1.00 11.55 C ATOM 695 CD GLU A 61 -5.169 -12.224 7.090 1.00 45.31 C ATOM 696 OE1 GLU A 61 -5.386 -12.955 6.101 1.00 12.42 O ATOM 697 OE2 GLU A 61 -5.676 -12.422 8.214 1.00 63.32 O ATOM 0 H GLU A 61 -3.126 -8.613 3.853 1.00 11.43 H new ATOM 0 HA GLU A 61 -2.409 -11.157 5.192 1.00 12.21 H new ATOM 0 HB2 GLU A 61 -4.578 -9.316 5.692 1.00 71.41 H new ATOM 0 HB3 GLU A 61 -5.243 -10.802 5.042 1.00 71.41 H new ATOM 0 HG2 GLU A 61 -3.211 -11.361 7.058 1.00 11.55 H new ATOM 0 HG3 GLU A 61 -4.453 -10.300 7.694 1.00 11.55 H new ATOM 704 N THR A 62 -4.056 -12.464 3.498 1.00 1.21 N ATOM 705 CA THR A 62 -4.462 -13.246 2.337 1.00 33.05 C ATOM 706 C THR A 62 -5.975 -13.212 2.154 1.00 52.11 C ATOM 707 O THR A 62 -6.730 -13.479 3.088 1.00 1.52 O ATOM 708 CB THR A 62 -4.004 -14.712 2.459 1.00 13.44 C ATOM 709 OG1 THR A 62 -3.288 -14.901 3.685 1.00 42.33 O ATOM 710 CG2 THR A 62 -3.121 -15.102 1.284 1.00 21.11 C ATOM 0 H THR A 62 -4.215 -12.926 4.394 1.00 1.21 H new ATOM 0 HA THR A 62 -3.983 -12.795 1.468 1.00 33.05 H new ATOM 0 HB THR A 62 -4.889 -15.348 2.454 1.00 13.44 H new ATOM 0 HG1 THR A 62 -3.002 -15.836 3.756 1.00 42.33 H new ATOM 0 HG21 THR A 62 -2.810 -16.141 1.392 1.00 21.11 H new ATOM 0 HG22 THR A 62 -3.679 -14.985 0.355 1.00 21.11 H new ATOM 0 HG23 THR A 62 -2.240 -14.460 1.262 1.00 21.11 H new ATOM 718 N GLY A 63 -6.413 -12.882 0.942 1.00 23.42 N ATOM 719 CA GLY A 63 -7.834 -12.820 0.658 1.00 35.33 C ATOM 720 C GLY A 63 -8.216 -13.622 -0.570 1.00 31.40 C ATOM 721 O GLY A 63 -7.639 -14.677 -0.834 1.00 12.32 O ATOM 0 H GLY A 63 -5.808 -12.657 0.152 1.00 23.42 H new ATOM 0 HA2 GLY A 63 -8.390 -13.192 1.519 1.00 35.33 H new ATOM 0 HA3 GLY A 63 -8.128 -11.780 0.515 1.00 35.33 H new ATOM 725 N GLU A 64 -9.192 -13.123 -1.322 1.00 0.43 N ATOM 726 CA GLU A 64 -9.651 -13.802 -2.527 1.00 71.33 C ATOM 727 C GLU A 64 -8.817 -13.388 -3.736 1.00 60.43 C ATOM 728 O GLU A 64 -8.765 -14.097 -4.740 1.00 70.34 O ATOM 729 CB GLU A 64 -11.128 -13.493 -2.783 1.00 23.52 C ATOM 730 CG GLU A 64 -11.742 -14.332 -3.891 1.00 31.11 C ATOM 731 CD GLU A 64 -13.122 -14.851 -3.534 1.00 4.45 C ATOM 732 OE1 GLU A 64 -14.039 -14.022 -3.359 1.00 13.31 O ATOM 733 OE2 GLU A 64 -13.283 -16.084 -3.428 1.00 75.23 O ATOM 0 H GLU A 64 -9.680 -12.251 -1.118 1.00 0.43 H new ATOM 0 HA GLU A 64 -9.533 -14.875 -2.375 1.00 71.33 H new ATOM 0 HB2 GLU A 64 -11.689 -13.655 -1.863 1.00 23.52 H new ATOM 0 HB3 GLU A 64 -11.231 -12.438 -3.038 1.00 23.52 H new ATOM 0 HG2 GLU A 64 -11.807 -13.735 -4.800 1.00 31.11 H new ATOM 0 HG3 GLU A 64 -11.086 -15.175 -4.109 1.00 31.11 H new ATOM 740 N GLY A 65 -8.166 -12.234 -3.631 1.00 45.04 N ATOM 741 CA GLY A 65 -7.343 -11.744 -4.722 1.00 73.44 C ATOM 742 C GLY A 65 -5.868 -11.732 -4.376 1.00 64.41 C ATOM 743 O GLY A 65 -5.243 -12.786 -4.256 1.00 1.21 O ATOM 0 H GLY A 65 -8.194 -11.629 -2.810 1.00 45.04 H new ATOM 0 HA2 GLY A 65 -7.502 -12.368 -5.601 1.00 73.44 H new ATOM 0 HA3 GLY A 65 -7.659 -10.735 -4.986 1.00 73.44 H new ATOM 747 N ALA A 66 -5.308 -10.537 -4.217 1.00 35.42 N ATOM 748 CA ALA A 66 -3.897 -10.393 -3.882 1.00 52.22 C ATOM 749 C ALA A 66 -3.721 -9.827 -2.477 1.00 54.32 C ATOM 750 O ALA A 66 -3.486 -10.569 -1.524 1.00 15.52 O ATOM 751 CB ALA A 66 -3.201 -9.504 -4.902 1.00 53.03 C ATOM 0 H ALA A 66 -5.810 -9.655 -4.315 1.00 35.42 H new ATOM 0 HA ALA A 66 -3.440 -11.382 -3.906 1.00 52.22 H new ATOM 0 HB1 ALA A 66 -2.148 -9.405 -4.640 1.00 53.03 H new ATOM 0 HB2 ALA A 66 -3.288 -9.950 -5.893 1.00 53.03 H new ATOM 0 HB3 ALA A 66 -3.668 -8.519 -4.905 1.00 53.03 H new ATOM 757 N ALA A 67 -3.836 -8.508 -2.357 1.00 20.11 N ATOM 758 CA ALA A 67 -3.691 -7.843 -1.068 1.00 21.10 C ATOM 759 C ALA A 67 -4.955 -7.992 -0.228 1.00 50.42 C ATOM 760 O ALA A 67 -6.056 -7.694 -0.689 1.00 53.44 O ATOM 761 CB ALA A 67 -3.357 -6.372 -1.268 1.00 33.14 C ATOM 0 H ALA A 67 -4.029 -7.879 -3.137 1.00 20.11 H new ATOM 0 HA ALA A 67 -2.872 -8.320 -0.531 1.00 21.10 H new ATOM 0 HB1 ALA A 67 -3.252 -5.888 -0.297 1.00 33.14 H new ATOM 0 HB2 ALA A 67 -2.422 -6.283 -1.821 1.00 33.14 H new ATOM 0 HB3 ALA A 67 -4.158 -5.890 -1.829 1.00 33.14 H new ATOM 767 N ALA A 68 -4.789 -8.455 1.006 1.00 2.13 N ATOM 768 CA ALA A 68 -5.917 -8.642 1.910 1.00 3.45 C ATOM 769 C ALA A 68 -5.726 -7.846 3.197 1.00 14.42 C ATOM 770 O ALA A 68 -5.946 -8.359 4.295 1.00 65.35 O ATOM 771 CB ALA A 68 -6.103 -10.119 2.224 1.00 2.20 C ATOM 0 H ALA A 68 -3.884 -8.708 1.403 1.00 2.13 H new ATOM 0 HA ALA A 68 -6.814 -8.272 1.414 1.00 3.45 H new ATOM 0 HB1 ALA A 68 -6.949 -10.244 2.900 1.00 2.20 H new ATOM 0 HB2 ALA A 68 -6.293 -10.666 1.301 1.00 2.20 H new ATOM 0 HB3 ALA A 68 -5.201 -10.507 2.697 1.00 2.20 H new ATOM 777 N TYR A 69 -5.317 -6.590 3.055 1.00 10.03 N ATOM 778 CA TYR A 69 -5.094 -5.724 4.207 1.00 52.00 C ATOM 779 C TYR A 69 -4.850 -4.284 3.767 1.00 51.25 C ATOM 780 O TYR A 69 -5.327 -3.854 2.717 1.00 33.12 O ATOM 781 CB TYR A 69 -3.905 -6.227 5.027 1.00 42.30 C ATOM 782 CG TYR A 69 -4.225 -6.441 6.489 1.00 22.01 C ATOM 783 CD1 TYR A 69 -5.074 -5.576 7.168 1.00 31.15 C ATOM 784 CD2 TYR A 69 -3.677 -7.507 7.192 1.00 74.45 C ATOM 785 CE1 TYR A 69 -5.369 -5.767 8.505 1.00 62.44 C ATOM 786 CE2 TYR A 69 -3.968 -7.707 8.527 1.00 23.32 C ATOM 787 CZ TYR A 69 -4.814 -6.835 9.179 1.00 3.43 C ATOM 788 OH TYR A 69 -5.104 -7.029 10.510 1.00 32.42 O ATOM 0 H TYR A 69 -5.133 -6.149 2.154 1.00 10.03 H new ATOM 0 HA TYR A 69 -5.990 -5.748 4.827 1.00 52.00 H new ATOM 0 HB2 TYR A 69 -3.551 -7.165 4.600 1.00 42.30 H new ATOM 0 HB3 TYR A 69 -3.088 -5.511 4.944 1.00 42.30 H new ATOM 0 HD1 TYR A 69 -5.511 -4.740 6.642 1.00 31.15 H new ATOM 0 HD2 TYR A 69 -3.012 -8.191 6.686 1.00 74.45 H new ATOM 0 HE1 TYR A 69 -6.030 -5.084 9.019 1.00 62.44 H new ATOM 0 HE2 TYR A 69 -3.535 -8.542 9.058 1.00 23.32 H new ATOM 0 HH TYR A 69 -4.563 -7.768 10.858 1.00 32.42 H new ATOM 798 N GLY A 70 -4.102 -3.542 4.578 1.00 63.31 N ATOM 799 CA GLY A 70 -3.806 -2.159 4.256 1.00 2.40 C ATOM 800 C GLY A 70 -2.575 -1.646 4.978 1.00 54.23 C ATOM 801 O GLY A 70 -1.507 -2.253 4.907 1.00 61.12 O ATOM 0 H GLY A 70 -3.696 -3.875 5.453 1.00 63.31 H new ATOM 0 HA2 GLY A 70 -3.659 -2.063 3.180 1.00 2.40 H new ATOM 0 HA3 GLY A 70 -4.662 -1.537 4.517 1.00 2.40 H new ATOM 805 N VAL A 71 -2.724 -0.523 5.674 1.00 73.04 N ATOM 806 CA VAL A 71 -1.616 0.072 6.411 1.00 51.01 C ATOM 807 C VAL A 71 -2.119 0.883 7.599 1.00 15.44 C ATOM 808 O VAL A 71 -3.234 1.408 7.580 1.00 43.12 O ATOM 809 CB VAL A 71 -0.764 0.982 5.506 1.00 32.01 C ATOM 810 CG1 VAL A 71 -0.418 0.270 4.207 1.00 11.31 C ATOM 811 CG2 VAL A 71 -1.491 2.289 5.230 1.00 14.30 C ATOM 0 H VAL A 71 -3.601 -0.007 5.743 1.00 73.04 H new ATOM 0 HA VAL A 71 -0.998 -0.750 6.772 1.00 51.01 H new ATOM 0 HB VAL A 71 0.167 1.213 6.025 1.00 32.01 H new ATOM 0 HG11 VAL A 71 0.184 0.928 3.581 1.00 11.31 H new ATOM 0 HG12 VAL A 71 0.146 -0.636 4.428 1.00 11.31 H new ATOM 0 HG13 VAL A 71 -1.336 0.007 3.681 1.00 11.31 H new ATOM 0 HG21 VAL A 71 -0.875 2.920 4.589 1.00 14.30 H new ATOM 0 HG22 VAL A 71 -2.438 2.081 4.732 1.00 14.30 H new ATOM 0 HG23 VAL A 71 -1.682 2.805 6.171 1.00 14.30 H new ATOM 821 N LEU A 72 -1.292 0.983 8.634 1.00 43.14 N ATOM 822 CA LEU A 72 -1.652 1.732 9.833 1.00 71.24 C ATOM 823 C LEU A 72 -0.917 3.068 9.882 1.00 72.50 C ATOM 824 O LEU A 72 0.177 3.207 9.334 1.00 35.04 O ATOM 825 CB LEU A 72 -1.331 0.913 11.084 1.00 1.55 C ATOM 826 CG LEU A 72 -1.377 -0.606 10.923 1.00 64.41 C ATOM 827 CD1 LEU A 72 -0.072 -1.120 10.333 1.00 12.04 C ATOM 828 CD2 LEU A 72 -1.661 -1.276 12.259 1.00 25.53 C ATOM 0 H LEU A 72 -0.367 0.554 8.667 1.00 43.14 H new ATOM 0 HA LEU A 72 -2.723 1.930 9.801 1.00 71.24 H new ATOM 0 HB2 LEU A 72 -0.336 1.191 11.430 1.00 1.55 H new ATOM 0 HB3 LEU A 72 -2.032 1.196 11.869 1.00 1.55 H new ATOM 0 HG LEU A 72 -2.186 -0.855 10.236 1.00 64.41 H new ATOM 0 HD11 LEU A 72 -0.123 -2.203 10.226 1.00 12.04 H new ATOM 0 HD12 LEU A 72 0.089 -0.666 9.355 1.00 12.04 H new ATOM 0 HD13 LEU A 72 0.754 -0.860 10.995 1.00 12.04 H new ATOM 0 HD21 LEU A 72 -1.690 -2.357 12.125 1.00 25.53 H new ATOM 0 HD22 LEU A 72 -0.875 -1.019 12.969 1.00 25.53 H new ATOM 0 HD23 LEU A 72 -2.622 -0.932 12.642 1.00 25.53 H new ATOM 840 N VAL A 73 -1.525 4.047 10.544 1.00 42.32 N ATOM 841 CA VAL A 73 -0.927 5.371 10.668 1.00 40.30 C ATOM 842 C VAL A 73 -1.447 6.095 11.905 1.00 51.33 C ATOM 843 O VAL A 73 -2.593 6.546 11.939 1.00 22.40 O ATOM 844 CB VAL A 73 -1.211 6.234 9.424 1.00 2.21 C ATOM 845 CG1 VAL A 73 -2.676 6.134 9.028 1.00 41.42 C ATOM 846 CG2 VAL A 73 -0.816 7.681 9.679 1.00 52.13 C ATOM 0 H VAL A 73 -2.431 3.948 11.002 1.00 42.32 H new ATOM 0 HA VAL A 73 0.149 5.225 10.762 1.00 40.30 H new ATOM 0 HB VAL A 73 -0.610 5.858 8.596 1.00 2.21 H new ATOM 0 HG11 VAL A 73 -2.858 6.750 8.147 1.00 41.42 H new ATOM 0 HG12 VAL A 73 -2.922 5.096 8.802 1.00 41.42 H new ATOM 0 HG13 VAL A 73 -3.300 6.484 9.851 1.00 41.42 H new ATOM 0 HG21 VAL A 73 -1.023 8.277 8.790 1.00 52.13 H new ATOM 0 HG22 VAL A 73 -1.389 8.072 10.520 1.00 52.13 H new ATOM 0 HG23 VAL A 73 0.248 7.732 9.910 1.00 52.13 H new ATOM 856 N THR A 74 -0.597 6.205 12.921 1.00 21.20 N ATOM 857 CA THR A 74 -0.970 6.874 14.161 1.00 72.41 C ATOM 858 C THR A 74 0.232 7.030 15.085 1.00 44.44 C ATOM 859 O THR A 74 1.346 7.291 14.630 1.00 64.31 O ATOM 860 CB THR A 74 -2.077 6.102 14.904 1.00 0.12 C ATOM 861 OG1 THR A 74 -2.892 5.391 13.967 1.00 75.44 O ATOM 862 CG2 THR A 74 -2.943 7.050 15.720 1.00 2.12 C ATOM 0 H THR A 74 0.355 5.839 12.909 1.00 21.20 H new ATOM 0 HA THR A 74 -1.345 7.860 13.888 1.00 72.41 H new ATOM 0 HB THR A 74 -1.602 5.393 15.583 1.00 0.12 H new ATOM 0 HG1 THR A 74 -3.189 6.003 13.261 1.00 75.44 H new ATOM 0 HG21 THR A 74 -3.718 6.482 16.236 1.00 2.12 H new ATOM 0 HG22 THR A 74 -2.324 7.568 16.453 1.00 2.12 H new ATOM 0 HG23 THR A 74 -3.408 7.779 15.057 1.00 2.12 H new ATOM 870 N ARG A 75 0.000 6.870 16.383 1.00 21.42 N ATOM 871 CA ARG A 75 1.065 6.994 17.371 1.00 61.10 C ATOM 872 C ARG A 75 1.400 5.637 17.983 1.00 31.03 C ATOM 873 O ARG A 75 0.547 4.759 18.111 1.00 33.41 O ATOM 874 CB ARG A 75 0.657 7.975 18.471 1.00 2.34 C ATOM 875 CG ARG A 75 1.071 9.411 18.192 1.00 64.34 C ATOM 876 CD ARG A 75 1.728 10.048 19.406 1.00 20.22 C ATOM 877 NE ARG A 75 0.805 10.158 20.533 1.00 40.24 N ATOM 878 CZ ARG A 75 1.056 10.877 21.621 1.00 43.21 C ATOM 879 NH1 ARG A 75 2.196 11.546 21.729 1.00 51.20 N ATOM 880 NH2 ARG A 75 0.166 10.928 22.604 1.00 44.32 N ATOM 0 H ARG A 75 -0.916 6.654 16.776 1.00 21.42 H new ATOM 0 HA ARG A 75 1.953 7.374 16.866 1.00 61.10 H new ATOM 0 HB2 ARG A 75 -0.425 7.936 18.598 1.00 2.34 H new ATOM 0 HB3 ARG A 75 1.100 7.655 19.414 1.00 2.34 H new ATOM 0 HG2 ARG A 75 1.762 9.434 17.349 1.00 64.34 H new ATOM 0 HG3 ARG A 75 0.196 9.993 17.903 1.00 64.34 H new ATOM 0 HD2 ARG A 75 2.593 9.455 19.703 1.00 20.22 H new ATOM 0 HD3 ARG A 75 2.096 11.039 19.141 1.00 20.22 H new ATOM 0 HE ARG A 75 -0.081 9.655 20.481 1.00 40.24 H new ATOM 0 HH11 ARG A 75 2.882 11.509 20.975 1.00 51.20 H new ATOM 0 HH12 ARG A 75 2.386 12.098 22.566 1.00 51.20 H new ATOM 0 HH21 ARG A 75 -0.712 10.415 22.524 1.00 44.32 H new ATOM 0 HH22 ARG A 75 0.360 11.480 23.439 1.00 44.32 H new ATOM 894 N PRO A 76 2.672 5.460 18.371 1.00 72.13 N ATOM 895 CA PRO A 76 3.149 4.213 18.976 1.00 74.32 C ATOM 896 C PRO A 76 2.589 3.997 20.378 1.00 54.33 C ATOM 897 O PRO A 76 3.003 3.081 21.088 1.00 4.41 O ATOM 898 CB PRO A 76 4.667 4.402 19.030 1.00 54.34 C ATOM 899 CG PRO A 76 4.863 5.879 19.062 1.00 20.34 C ATOM 900 CD PRO A 76 3.742 6.464 18.248 1.00 21.35 C ATOM 0 HA PRO A 76 2.835 3.338 18.407 1.00 74.32 H new ATOM 0 HB2 PRO A 76 5.094 3.927 19.913 1.00 54.34 H new ATOM 0 HB3 PRO A 76 5.153 3.957 18.162 1.00 54.34 H new ATOM 0 HG2 PRO A 76 4.839 6.254 20.085 1.00 20.34 H new ATOM 0 HG3 PRO A 76 5.832 6.153 18.645 1.00 20.34 H new ATOM 0 HD2 PRO A 76 3.429 7.434 18.634 1.00 21.35 H new ATOM 0 HD3 PRO A 76 4.035 6.614 17.209 1.00 21.35 H new ATOM 908 N ASP A 77 1.645 4.846 20.769 1.00 34.03 N ATOM 909 CA ASP A 77 1.026 4.747 22.086 1.00 4.34 C ATOM 910 C ASP A 77 -0.083 3.700 22.089 1.00 63.20 C ATOM 911 O ASP A 77 -1.081 3.839 22.795 1.00 43.54 O ATOM 912 CB ASP A 77 0.464 6.104 22.512 1.00 2.44 C ATOM 913 CG ASP A 77 1.493 6.959 23.227 1.00 71.24 C ATOM 914 OD1 ASP A 77 2.430 7.443 22.558 1.00 61.13 O ATOM 915 OD2 ASP A 77 1.360 7.144 24.454 1.00 3.32 O ATOM 0 H ASP A 77 1.292 5.610 20.193 1.00 34.03 H new ATOM 0 HA ASP A 77 1.792 4.440 22.798 1.00 4.34 H new ATOM 0 HB2 ASP A 77 0.102 6.636 21.632 1.00 2.44 H new ATOM 0 HB3 ASP A 77 -0.394 5.949 23.167 1.00 2.44 H new ATOM 920 N GLY A 78 0.099 2.650 21.293 1.00 4.22 N ATOM 921 CA GLY A 78 -0.894 1.595 21.218 1.00 52.21 C ATOM 922 C GLY A 78 -2.109 2.000 20.407 1.00 70.34 C ATOM 923 O GLY A 78 -2.947 1.163 20.069 1.00 61.25 O ATOM 0 H GLY A 78 0.917 2.512 20.699 1.00 4.22 H new ATOM 0 HA2 GLY A 78 -0.444 0.707 20.774 1.00 52.21 H new ATOM 0 HA3 GLY A 78 -1.208 1.323 22.226 1.00 52.21 H new ATOM 927 N THR A 79 -2.208 3.288 20.094 1.00 44.15 N ATOM 928 CA THR A 79 -3.330 3.803 19.320 1.00 71.14 C ATOM 929 C THR A 79 -2.937 4.029 17.864 1.00 21.42 C ATOM 930 O THR A 79 -2.235 4.987 17.543 1.00 43.43 O ATOM 931 CB THR A 79 -3.859 5.125 19.908 1.00 62.33 C ATOM 932 OG1 THR A 79 -4.805 5.716 19.011 1.00 53.24 O ATOM 933 CG2 THR A 79 -2.718 6.098 20.163 1.00 22.01 C ATOM 0 H THR A 79 -1.524 3.994 20.365 1.00 44.15 H new ATOM 0 HA THR A 79 -4.118 3.051 19.368 1.00 71.14 H new ATOM 0 HB THR A 79 -4.348 4.905 20.857 1.00 62.33 H new ATOM 0 HG1 THR A 79 -5.138 6.555 19.393 1.00 53.24 H new ATOM 0 HG21 THR A 79 -3.116 7.024 20.578 1.00 22.01 H new ATOM 0 HG22 THR A 79 -2.014 5.657 20.869 1.00 22.01 H new ATOM 0 HG23 THR A 79 -2.205 6.311 19.225 1.00 22.01 H new ATOM 941 N ARG A 80 -3.395 3.140 16.988 1.00 45.41 N ATOM 942 CA ARG A 80 -3.090 3.243 15.566 1.00 43.21 C ATOM 943 C ARG A 80 -4.319 2.919 14.722 1.00 42.44 C ATOM 944 O ARG A 80 -5.239 2.242 15.180 1.00 12.41 O ATOM 945 CB ARG A 80 -1.943 2.300 15.199 1.00 63.20 C ATOM 946 CG ARG A 80 -2.206 0.849 15.566 1.00 34.35 C ATOM 947 CD ARG A 80 -0.935 0.017 15.500 1.00 2.32 C ATOM 948 NE ARG A 80 0.233 0.766 15.957 1.00 30.23 N ATOM 949 CZ ARG A 80 0.605 0.842 17.230 1.00 23.52 C ATOM 950 NH1 ARG A 80 -0.095 0.217 18.167 1.00 4.23 N ATOM 951 NH2 ARG A 80 1.680 1.542 17.568 1.00 42.53 N ATOM 0 H ARG A 80 -3.978 2.341 17.238 1.00 45.41 H new ATOM 0 HA ARG A 80 -2.788 4.269 15.358 1.00 43.21 H new ATOM 0 HB2 ARG A 80 -1.758 2.367 14.127 1.00 63.20 H new ATOM 0 HB3 ARG A 80 -1.035 2.634 15.701 1.00 63.20 H new ATOM 0 HG2 ARG A 80 -2.624 0.797 16.571 1.00 34.35 H new ATOM 0 HG3 ARG A 80 -2.951 0.431 14.889 1.00 34.35 H new ATOM 0 HD2 ARG A 80 -1.055 -0.877 16.112 1.00 2.32 H new ATOM 0 HD3 ARG A 80 -0.773 -0.317 14.475 1.00 2.32 H new ATOM 0 HE ARG A 80 0.793 1.257 15.261 1.00 30.23 H new ATOM 0 HH11 ARG A 80 -0.921 -0.324 17.911 1.00 4.23 H new ATOM 0 HH12 ARG A 80 0.193 0.277 19.144 1.00 4.23 H new ATOM 0 HH21 ARG A 80 2.222 2.023 16.850 1.00 42.53 H new ATOM 0 HH22 ARG A 80 1.964 1.600 18.546 1.00 42.53 H new ATOM 965 N VAL A 81 -4.327 3.408 13.485 1.00 2.14 N ATOM 966 CA VAL A 81 -5.442 3.171 12.577 1.00 61.44 C ATOM 967 C VAL A 81 -5.013 2.310 11.394 1.00 70.32 C ATOM 968 O VAL A 81 -4.469 2.814 10.412 1.00 25.13 O ATOM 969 CB VAL A 81 -6.027 4.494 12.049 1.00 74.12 C ATOM 970 CG1 VAL A 81 -6.715 5.259 13.170 1.00 65.32 C ATOM 971 CG2 VAL A 81 -4.938 5.339 11.405 1.00 33.24 C ATOM 0 H VAL A 81 -3.573 3.970 13.090 1.00 2.14 H new ATOM 0 HA VAL A 81 -6.208 2.646 13.147 1.00 61.44 H new ATOM 0 HB VAL A 81 -6.773 4.263 11.288 1.00 74.12 H new ATOM 0 HG11 VAL A 81 -7.122 6.191 12.778 1.00 65.32 H new ATOM 0 HG12 VAL A 81 -7.523 4.654 13.580 1.00 65.32 H new ATOM 0 HG13 VAL A 81 -5.993 5.481 13.956 1.00 65.32 H new ATOM 0 HG21 VAL A 81 -5.369 6.270 11.038 1.00 33.24 H new ATOM 0 HG22 VAL A 81 -4.167 5.562 12.142 1.00 33.24 H new ATOM 0 HG23 VAL A 81 -4.496 4.791 10.573 1.00 33.24 H new ATOM 981 N GLU A 82 -5.263 1.008 11.495 1.00 70.02 N ATOM 982 CA GLU A 82 -4.902 0.077 10.432 1.00 20.24 C ATOM 983 C GLU A 82 -6.015 -0.021 9.393 1.00 42.42 C ATOM 984 O GLU A 82 -7.165 -0.308 9.724 1.00 53.15 O ATOM 985 CB GLU A 82 -4.610 -1.308 11.015 1.00 55.13 C ATOM 986 CG GLU A 82 -5.861 -2.119 11.310 1.00 24.42 C ATOM 987 CD GLU A 82 -6.345 -2.904 10.107 1.00 64.44 C ATOM 988 OE1 GLU A 82 -5.713 -2.794 9.034 1.00 34.45 O ATOM 989 OE2 GLU A 82 -7.354 -3.628 10.236 1.00 21.02 O ATOM 0 H GLU A 82 -5.713 0.575 12.301 1.00 70.02 H new ATOM 0 HA GLU A 82 -4.004 0.455 9.942 1.00 20.24 H new ATOM 0 HB2 GLU A 82 -3.984 -1.863 10.316 1.00 55.13 H new ATOM 0 HB3 GLU A 82 -4.036 -1.193 11.935 1.00 55.13 H new ATOM 0 HG2 GLU A 82 -5.658 -2.807 12.130 1.00 24.42 H new ATOM 0 HG3 GLU A 82 -6.653 -1.449 11.645 1.00 24.42 H new ATOM 996 N VAL A 83 -5.663 0.222 8.134 1.00 75.41 N ATOM 997 CA VAL A 83 -6.631 0.161 7.045 1.00 51.11 C ATOM 998 C VAL A 83 -6.675 -1.231 6.426 1.00 71.24 C ATOM 999 O VAL A 83 -5.641 -1.876 6.247 1.00 32.11 O ATOM 1000 CB VAL A 83 -6.304 1.190 5.946 1.00 35.30 C ATOM 1001 CG1 VAL A 83 -7.496 1.379 5.020 1.00 72.52 C ATOM 1002 CG2 VAL A 83 -5.884 2.514 6.565 1.00 55.53 C ATOM 0 H VAL A 83 -4.715 0.463 7.843 1.00 75.41 H new ATOM 0 HA VAL A 83 -7.605 0.395 7.474 1.00 51.11 H new ATOM 0 HB VAL A 83 -5.471 0.811 5.354 1.00 35.30 H new ATOM 0 HG11 VAL A 83 -7.247 2.109 4.250 1.00 72.52 H new ATOM 0 HG12 VAL A 83 -7.746 0.428 4.550 1.00 72.52 H new ATOM 0 HG13 VAL A 83 -8.351 1.736 5.595 1.00 72.52 H new ATOM 0 HG21 VAL A 83 -5.657 3.229 5.775 1.00 55.53 H new ATOM 0 HG22 VAL A 83 -6.695 2.901 7.182 1.00 55.53 H new ATOM 0 HG23 VAL A 83 -4.999 2.362 7.183 1.00 55.53 H new ATOM 1012 N HIS A 84 -7.879 -1.690 6.099 1.00 52.13 N ATOM 1013 CA HIS A 84 -8.058 -3.007 5.498 1.00 54.45 C ATOM 1014 C HIS A 84 -8.666 -2.889 4.103 1.00 43.12 C ATOM 1015 O HIS A 84 -9.855 -2.605 3.954 1.00 71.40 O ATOM 1016 CB HIS A 84 -8.950 -3.878 6.383 1.00 52.32 C ATOM 1017 CG HIS A 84 -9.371 -5.159 5.732 1.00 33.32 C ATOM 1018 ND1 HIS A 84 -8.834 -5.844 4.696 1.00 33.14 N flip ATOM 1019 CD2 HIS A 84 -10.471 -5.884 6.139 1.00 61.32 C flip ATOM 1020 CE1 HIS A 84 -9.610 -6.960 4.499 1.00 74.41 C flip ATOM 1021 NE2 HIS A 84 -10.591 -6.960 5.383 1.00 53.34 N flip ATOM 0 H HIS A 84 -8.745 -1.170 6.240 1.00 52.13 H new ATOM 0 HA HIS A 84 -7.078 -3.475 5.410 1.00 54.45 H new ATOM 0 HB2 HIS A 84 -8.419 -4.107 7.307 1.00 52.32 H new ATOM 0 HB3 HIS A 84 -9.839 -3.311 6.659 1.00 52.32 H new ATOM 0 HD2 HIS A 84 -11.131 -5.614 6.950 1.00 61.32 H new ATOM 0 HE1 HIS A 84 -9.445 -7.715 3.744 1.00 74.41 H new ATOM 0 HE2 HIS A 84 -11.318 -7.670 5.468 1.00 53.34 H new ATOM 1029 N LEU A 85 -7.842 -3.108 3.084 1.00 42.41 N ATOM 1030 CA LEU A 85 -8.297 -3.025 1.700 1.00 33.44 C ATOM 1031 C LEU A 85 -7.846 -4.246 0.905 1.00 34.42 C ATOM 1032 O LEU A 85 -6.718 -4.715 1.055 1.00 31.44 O ATOM 1033 CB LEU A 85 -7.767 -1.750 1.043 1.00 22.11 C ATOM 1034 CG LEU A 85 -7.670 -0.520 1.946 1.00 4.01 C ATOM 1035 CD1 LEU A 85 -7.450 0.735 1.116 1.00 1.42 C ATOM 1036 CD2 LEU A 85 -8.922 -0.385 2.800 1.00 51.32 C ATOM 0 H LEU A 85 -6.855 -3.344 3.190 1.00 42.41 H new ATOM 0 HA LEU A 85 -9.387 -2.998 1.703 1.00 33.44 H new ATOM 0 HB2 LEU A 85 -6.776 -1.958 0.639 1.00 22.11 H new ATOM 0 HB3 LEU A 85 -8.411 -1.506 0.198 1.00 22.11 H new ATOM 0 HG LEU A 85 -6.814 -0.646 2.609 1.00 4.01 H new ATOM 0 HD11 LEU A 85 -7.383 1.600 1.775 1.00 1.42 H new ATOM 0 HD12 LEU A 85 -6.524 0.639 0.549 1.00 1.42 H new ATOM 0 HD13 LEU A 85 -8.285 0.867 0.428 1.00 1.42 H new ATOM 0 HD21 LEU A 85 -8.835 0.496 3.436 1.00 51.32 H new ATOM 0 HD22 LEU A 85 -9.794 -0.281 2.154 1.00 51.32 H new ATOM 0 HD23 LEU A 85 -9.035 -1.273 3.423 1.00 51.32 H new ATOM 1048 N ASP A 86 -8.734 -4.755 0.058 1.00 13.01 N ATOM 1049 CA ASP A 86 -8.427 -5.920 -0.764 1.00 2.31 C ATOM 1050 C ASP A 86 -8.144 -5.508 -2.205 1.00 73.14 C ATOM 1051 O ASP A 86 -9.041 -5.061 -2.921 1.00 31.32 O ATOM 1052 CB ASP A 86 -9.584 -6.919 -0.723 1.00 61.12 C ATOM 1053 CG ASP A 86 -9.727 -7.692 -2.020 1.00 13.15 C ATOM 1054 OD1 ASP A 86 -10.388 -7.178 -2.947 1.00 22.30 O ATOM 1055 OD2 ASP A 86 -9.178 -8.810 -2.107 1.00 53.00 O ATOM 0 H ASP A 86 -9.672 -4.379 -0.077 1.00 13.01 H new ATOM 0 HA ASP A 86 -7.534 -6.395 -0.359 1.00 2.31 H new ATOM 0 HB2 ASP A 86 -9.428 -7.618 0.098 1.00 61.12 H new ATOM 0 HB3 ASP A 86 -10.513 -6.387 -0.516 1.00 61.12 H new ATOM 1060 N ARG A 87 -6.892 -5.661 -2.625 1.00 34.04 N ATOM 1061 CA ARG A 87 -6.491 -5.303 -3.980 1.00 34.12 C ATOM 1062 C ARG A 87 -7.436 -5.920 -5.007 1.00 61.31 C ATOM 1063 O ARG A 87 -7.525 -5.453 -6.142 1.00 54.45 O ATOM 1064 CB ARG A 87 -5.057 -5.763 -4.248 1.00 74.34 C ATOM 1065 CG ARG A 87 -4.456 -5.174 -5.514 1.00 23.22 C ATOM 1066 CD ARG A 87 -4.132 -6.256 -6.532 1.00 44.13 C ATOM 1067 NE ARG A 87 -3.967 -5.710 -7.877 1.00 4.12 N ATOM 1068 CZ ARG A 87 -3.496 -6.411 -8.902 1.00 61.11 C ATOM 1069 NH1 ARG A 87 -3.146 -7.679 -8.737 1.00 60.32 N ATOM 1070 NH2 ARG A 87 -3.375 -5.844 -10.096 1.00 1.04 N ATOM 0 H ARG A 87 -6.138 -6.031 -2.046 1.00 34.04 H new ATOM 0 HA ARG A 87 -6.540 -4.218 -4.073 1.00 34.12 H new ATOM 0 HB2 ARG A 87 -4.432 -5.490 -3.398 1.00 74.34 H new ATOM 0 HB3 ARG A 87 -5.040 -6.851 -4.320 1.00 74.34 H new ATOM 0 HG2 ARG A 87 -5.153 -4.459 -5.951 1.00 23.22 H new ATOM 0 HG3 ARG A 87 -3.549 -4.623 -5.265 1.00 23.22 H new ATOM 0 HD2 ARG A 87 -3.218 -6.771 -6.235 1.00 44.13 H new ATOM 0 HD3 ARG A 87 -4.929 -6.999 -6.538 1.00 44.13 H new ATOM 0 HE ARG A 87 -4.228 -4.737 -8.038 1.00 4.12 H new ATOM 0 HH11 ARG A 87 -3.238 -8.118 -7.821 1.00 60.32 H new ATOM 0 HH12 ARG A 87 -2.785 -8.215 -9.526 1.00 60.32 H new ATOM 0 HH21 ARG A 87 -3.644 -4.869 -10.227 1.00 1.04 H new ATOM 0 HH22 ARG A 87 -3.013 -6.383 -10.882 1.00 1.04 H new ATOM 1084 N ASP A 88 -8.138 -6.973 -4.601 1.00 5.52 N ATOM 1085 CA ASP A 88 -9.076 -7.654 -5.485 1.00 43.33 C ATOM 1086 C ASP A 88 -10.277 -6.765 -5.792 1.00 0.33 C ATOM 1087 O ASP A 88 -11.231 -7.194 -6.441 1.00 63.21 O ATOM 1088 CB ASP A 88 -9.544 -8.966 -4.854 1.00 13.41 C ATOM 1089 CG ASP A 88 -9.825 -10.038 -5.888 1.00 54.11 C ATOM 1090 OD1 ASP A 88 -9.121 -10.067 -6.918 1.00 65.42 O ATOM 1091 OD2 ASP A 88 -10.751 -10.847 -5.668 1.00 30.23 O ATOM 0 H ASP A 88 -8.075 -7.373 -3.665 1.00 5.52 H new ATOM 0 HA ASP A 88 -8.561 -7.874 -6.420 1.00 43.33 H new ATOM 0 HB2 ASP A 88 -8.783 -9.324 -4.161 1.00 13.41 H new ATOM 0 HB3 ASP A 88 -10.446 -8.783 -4.270 1.00 13.41 H new ATOM 1096 N PHE A 89 -10.224 -5.524 -5.319 1.00 52.21 N ATOM 1097 CA PHE A 89 -11.309 -4.575 -5.541 1.00 3.44 C ATOM 1098 C PHE A 89 -12.570 -5.006 -4.797 1.00 65.12 C ATOM 1099 O PHE A 89 -13.675 -4.932 -5.334 1.00 32.15 O ATOM 1100 CB PHE A 89 -11.604 -4.445 -7.036 1.00 71.23 C ATOM 1101 CG PHE A 89 -10.380 -4.192 -7.869 1.00 72.23 C ATOM 1102 CD1 PHE A 89 -9.952 -2.898 -8.120 1.00 22.42 C ATOM 1103 CD2 PHE A 89 -9.658 -5.248 -8.401 1.00 43.15 C ATOM 1104 CE1 PHE A 89 -8.826 -2.663 -8.887 1.00 14.03 C ATOM 1105 CE2 PHE A 89 -8.531 -5.019 -9.169 1.00 11.52 C ATOM 1106 CZ PHE A 89 -8.114 -3.724 -9.411 1.00 35.32 C ATOM 0 H PHE A 89 -9.442 -5.152 -4.780 1.00 52.21 H new ATOM 0 HA PHE A 89 -10.994 -3.605 -5.155 1.00 3.44 H new ATOM 0 HB2 PHE A 89 -12.088 -5.358 -7.383 1.00 71.23 H new ATOM 0 HB3 PHE A 89 -12.312 -3.631 -7.189 1.00 71.23 H new ATOM 0 HD1 PHE A 89 -10.504 -2.064 -7.712 1.00 22.42 H new ATOM 0 HD2 PHE A 89 -9.979 -6.262 -8.214 1.00 43.15 H new ATOM 0 HE1 PHE A 89 -8.503 -1.650 -9.076 1.00 14.03 H new ATOM 0 HE2 PHE A 89 -7.978 -5.851 -9.579 1.00 11.52 H new ATOM 0 HZ PHE A 89 -7.233 -3.542 -10.009 1.00 35.32 H new ATOM 1116 N ARG A 90 -12.394 -5.457 -3.560 1.00 32.35 N ATOM 1117 CA ARG A 90 -13.517 -5.903 -2.742 1.00 45.45 C ATOM 1118 C ARG A 90 -13.492 -5.231 -1.373 1.00 12.33 C ATOM 1119 O ARG A 90 -14.536 -5.015 -0.757 1.00 0.03 O ATOM 1120 CB ARG A 90 -13.483 -7.423 -2.577 1.00 60.13 C ATOM 1121 CG ARG A 90 -13.362 -7.876 -1.131 1.00 71.14 C ATOM 1122 CD ARG A 90 -14.695 -7.785 -0.406 1.00 13.02 C ATOM 1123 NE ARG A 90 -15.225 -9.103 -0.066 1.00 42.00 N ATOM 1124 CZ ARG A 90 -16.221 -9.296 0.792 1.00 65.23 C ATOM 1125 NH1 ARG A 90 -16.792 -8.262 1.393 1.00 10.00 N ATOM 1126 NH2 ARG A 90 -16.647 -10.526 1.049 1.00 22.11 N ATOM 0 H ARG A 90 -11.485 -5.524 -3.101 1.00 32.35 H new ATOM 0 HA ARG A 90 -14.439 -5.620 -3.250 1.00 45.45 H new ATOM 0 HB2 ARG A 90 -14.390 -7.847 -3.007 1.00 60.13 H new ATOM 0 HB3 ARG A 90 -12.644 -7.823 -3.146 1.00 60.13 H new ATOM 0 HG2 ARG A 90 -12.999 -8.903 -1.099 1.00 71.14 H new ATOM 0 HG3 ARG A 90 -12.624 -7.261 -0.616 1.00 71.14 H new ATOM 0 HD2 ARG A 90 -14.573 -7.198 0.504 1.00 13.02 H new ATOM 0 HD3 ARG A 90 -15.413 -7.256 -1.033 1.00 13.02 H new ATOM 0 HE ARG A 90 -14.808 -9.920 -0.512 1.00 42.00 H new ATOM 0 HH11 ARG A 90 -16.467 -7.315 1.197 1.00 10.00 H new ATOM 0 HH12 ARG A 90 -17.556 -8.413 2.051 1.00 10.00 H new ATOM 0 HH21 ARG A 90 -16.210 -11.324 0.588 1.00 22.11 H new ATOM 0 HH22 ARG A 90 -17.412 -10.674 1.708 1.00 22.11 H new ATOM 1140 N VAL A 91 -12.293 -4.903 -0.901 1.00 53.44 N ATOM 1141 CA VAL A 91 -12.133 -4.255 0.395 1.00 44.11 C ATOM 1142 C VAL A 91 -11.348 -2.954 0.266 1.00 63.32 C ATOM 1143 O VAL A 91 -10.240 -2.936 -0.273 1.00 11.51 O ATOM 1144 CB VAL A 91 -11.415 -5.177 1.398 1.00 21.41 C ATOM 1145 CG1 VAL A 91 -11.040 -4.409 2.656 1.00 25.11 C ATOM 1146 CG2 VAL A 91 -12.287 -6.377 1.736 1.00 11.14 C ATOM 0 H VAL A 91 -11.419 -5.076 -1.397 1.00 53.44 H new ATOM 0 HA VAL A 91 -13.135 -4.037 0.766 1.00 44.11 H new ATOM 0 HB VAL A 91 -10.497 -5.542 0.937 1.00 21.41 H new ATOM 0 HG11 VAL A 91 -10.534 -5.077 3.353 1.00 25.11 H new ATOM 0 HG12 VAL A 91 -10.375 -3.585 2.395 1.00 25.11 H new ATOM 0 HG13 VAL A 91 -11.942 -4.013 3.123 1.00 25.11 H new ATOM 0 HG21 VAL A 91 -11.764 -7.018 2.446 1.00 11.14 H new ATOM 0 HG22 VAL A 91 -13.223 -6.034 2.177 1.00 11.14 H new ATOM 0 HG23 VAL A 91 -12.500 -6.940 0.827 1.00 11.14 H new ATOM 1156 N LEU A 92 -11.928 -1.868 0.764 1.00 42.02 N ATOM 1157 CA LEU A 92 -11.282 -0.561 0.705 1.00 14.11 C ATOM 1158 C LEU A 92 -11.609 0.264 1.946 1.00 21.31 C ATOM 1159 O LEU A 92 -11.433 1.482 1.958 1.00 42.11 O ATOM 1160 CB LEU A 92 -11.723 0.191 -0.552 1.00 13.43 C ATOM 1161 CG LEU A 92 -11.621 -0.581 -1.867 1.00 64.22 C ATOM 1162 CD1 LEU A 92 -13.000 -1.006 -2.346 1.00 12.30 C ATOM 1163 CD2 LEU A 92 -10.922 0.259 -2.926 1.00 43.00 C ATOM 0 H LEU A 92 -12.844 -1.866 1.213 1.00 42.02 H new ATOM 0 HA LEU A 92 -10.204 -0.717 0.668 1.00 14.11 H new ATOM 0 HB2 LEU A 92 -12.758 0.506 -0.418 1.00 13.43 H new ATOM 0 HB3 LEU A 92 -11.123 1.097 -0.638 1.00 13.43 H new ATOM 0 HG LEU A 92 -11.027 -1.478 -1.693 1.00 64.22 H new ATOM 0 HD11 LEU A 92 -12.907 -1.554 -3.283 1.00 12.30 H new ATOM 0 HD12 LEU A 92 -13.464 -1.646 -1.596 1.00 12.30 H new ATOM 0 HD13 LEU A 92 -13.619 -0.123 -2.502 1.00 12.30 H new ATOM 0 HD21 LEU A 92 -10.858 -0.307 -3.856 1.00 43.00 H new ATOM 0 HD22 LEU A 92 -11.488 1.175 -3.096 1.00 43.00 H new ATOM 0 HD23 LEU A 92 -9.918 0.512 -2.586 1.00 43.00 H new ATOM 1175 N ASP A 93 -12.083 -0.409 2.989 1.00 52.21 N ATOM 1176 CA ASP A 93 -12.431 0.261 4.237 1.00 51.03 C ATOM 1177 C ASP A 93 -11.334 0.071 5.280 1.00 72.03 C ATOM 1178 O ASP A 93 -10.706 -0.986 5.351 1.00 12.02 O ATOM 1179 CB ASP A 93 -13.760 -0.272 4.773 1.00 33.43 C ATOM 1180 CG ASP A 93 -14.463 0.724 5.674 1.00 2.31 C ATOM 1181 OD1 ASP A 93 -14.053 1.904 5.688 1.00 40.15 O ATOM 1182 OD2 ASP A 93 -15.423 0.325 6.365 1.00 21.31 O ATOM 0 H ASP A 93 -12.235 -1.418 2.995 1.00 52.21 H new ATOM 0 HA ASP A 93 -12.532 1.327 4.033 1.00 51.03 H new ATOM 0 HB2 ASP A 93 -14.411 -0.523 3.936 1.00 33.43 H new ATOM 0 HB3 ASP A 93 -13.582 -1.194 5.326 1.00 33.43 H new ATOM 1187 N THR A 94 -11.107 1.102 6.087 1.00 13.43 N ATOM 1188 CA THR A 94 -10.085 1.050 7.125 1.00 51.32 C ATOM 1189 C THR A 94 -10.625 0.405 8.396 1.00 4.23 C ATOM 1190 O THR A 94 -11.805 0.068 8.479 1.00 70.24 O ATOM 1191 CB THR A 94 -9.554 2.457 7.462 1.00 73.54 C ATOM 1192 OG1 THR A 94 -8.401 2.356 8.304 1.00 63.11 O ATOM 1193 CG2 THR A 94 -10.624 3.287 8.155 1.00 62.11 C ATOM 0 H THR A 94 -11.617 1.984 6.042 1.00 13.43 H new ATOM 0 HA THR A 94 -9.267 0.445 6.733 1.00 51.32 H new ATOM 0 HB THR A 94 -9.280 2.952 6.530 1.00 73.54 H new ATOM 0 HG1 THR A 94 -8.154 3.247 8.629 1.00 63.11 H new ATOM 0 HG21 THR A 94 -10.226 4.276 8.383 1.00 62.11 H new ATOM 0 HG22 THR A 94 -11.489 3.386 7.499 1.00 62.11 H new ATOM 0 HG23 THR A 94 -10.924 2.794 9.080 1.00 62.11 H new ATOM 1201 N GLU A 95 -9.752 0.237 9.385 1.00 13.44 N ATOM 1202 CA GLU A 95 -10.143 -0.368 10.653 1.00 11.11 C ATOM 1203 C GLU A 95 -9.375 0.257 11.814 1.00 25.21 C ATOM 1204 O GLU A 95 -8.147 0.356 11.797 1.00 15.23 O ATOM 1205 CB GLU A 95 -9.899 -1.878 10.619 1.00 20.14 C ATOM 1206 CG GLU A 95 -11.086 -2.697 11.097 1.00 72.31 C ATOM 1207 CD GLU A 95 -10.852 -4.190 10.974 1.00 21.40 C ATOM 1208 OE1 GLU A 95 -10.552 -4.654 9.854 1.00 24.34 O ATOM 1209 OE2 GLU A 95 -10.969 -4.895 11.999 1.00 42.13 O ATOM 0 H GLU A 95 -8.771 0.511 9.333 1.00 13.44 H new ATOM 0 HA GLU A 95 -11.207 -0.182 10.803 1.00 11.11 H new ATOM 0 HB2 GLU A 95 -9.650 -2.175 9.600 1.00 20.14 H new ATOM 0 HB3 GLU A 95 -9.034 -2.112 11.239 1.00 20.14 H new ATOM 0 HG2 GLU A 95 -11.297 -2.451 12.138 1.00 72.31 H new ATOM 0 HG3 GLU A 95 -11.968 -2.422 10.519 1.00 72.31 H new ATOM 1216 N PRO A 96 -10.113 0.689 12.847 1.00 24.13 N ATOM 1217 CA PRO A 96 -9.523 1.311 14.036 1.00 4.50 C ATOM 1218 C PRO A 96 -8.741 0.315 14.885 1.00 63.32 C ATOM 1219 O PRO A 96 -9.311 -0.623 15.441 1.00 12.01 O ATOM 1220 CB PRO A 96 -10.740 1.830 14.806 1.00 43.31 C ATOM 1221 CG PRO A 96 -11.865 0.958 14.368 1.00 60.21 C ATOM 1222 CD PRO A 96 -11.580 0.602 12.935 1.00 50.52 C ATOM 0 HA PRO A 96 -8.804 2.087 13.775 1.00 4.50 H new ATOM 0 HB2 PRO A 96 -10.585 1.765 15.883 1.00 43.31 H new ATOM 0 HB3 PRO A 96 -10.938 2.877 14.575 1.00 43.31 H new ATOM 0 HG2 PRO A 96 -11.929 0.063 14.987 1.00 60.21 H new ATOM 0 HG3 PRO A 96 -12.819 1.477 14.459 1.00 60.21 H new ATOM 0 HD2 PRO A 96 -11.939 -0.398 12.690 1.00 50.52 H new ATOM 0 HD3 PRO A 96 -12.066 1.292 12.245 1.00 50.52 H new ATOM 1230 N ALA A 97 -7.432 0.524 14.980 1.00 43.31 N ATOM 1231 CA ALA A 97 -6.572 -0.355 15.763 1.00 13.41 C ATOM 1232 C ALA A 97 -6.371 0.189 17.174 1.00 71.43 C ATOM 1233 O ALA A 97 -5.791 1.258 17.360 1.00 1.33 O ATOM 1234 CB ALA A 97 -5.231 -0.536 15.069 1.00 25.31 C ATOM 0 H ALA A 97 -6.944 1.295 14.524 1.00 43.31 H new ATOM 0 HA ALA A 97 -7.061 -1.326 15.842 1.00 13.41 H new ATOM 0 HB1 ALA A 97 -4.599 -1.195 15.665 1.00 25.31 H new ATOM 0 HB2 ALA A 97 -5.387 -0.976 14.084 1.00 25.31 H new ATOM 0 HB3 ALA A 97 -4.744 0.433 14.960 1.00 25.31 H new ATOM 1240 N ASP A 98 -6.855 -0.554 18.163 1.00 25.32 N ATOM 1241 CA ASP A 98 -6.727 -0.147 19.558 1.00 73.03 C ATOM 1242 C ASP A 98 -5.610 -0.921 20.250 1.00 44.40 C ATOM 1243 O ASP A 98 -5.517 -0.934 21.477 1.00 53.33 O ATOM 1244 CB ASP A 98 -8.048 -0.364 20.297 1.00 34.02 C ATOM 1245 CG ASP A 98 -8.192 0.542 21.504 1.00 21.12 C ATOM 1246 OD1 ASP A 98 -7.796 1.723 21.411 1.00 72.15 O ATOM 1247 OD2 ASP A 98 -8.701 0.070 22.542 1.00 4.34 O ATOM 0 H ASP A 98 -7.339 -1.441 18.025 1.00 25.32 H new ATOM 0 HA ASP A 98 -6.477 0.914 19.580 1.00 73.03 H new ATOM 0 HB2 ASP A 98 -8.877 -0.187 19.612 1.00 34.02 H new ATOM 0 HB3 ASP A 98 -8.115 -1.404 20.617 1.00 34.02 H new ATOM 1252 N GLY A 99 -4.762 -1.566 19.454 1.00 51.10 N ATOM 1253 CA GLY A 99 -3.663 -2.334 20.008 1.00 24.11 C ATOM 1254 C GLY A 99 -4.092 -3.714 20.466 1.00 11.30 C ATOM 1255 O GLY A 99 -3.262 -4.609 20.624 1.00 30.11 O ATOM 0 H GLY A 99 -4.817 -1.570 18.435 1.00 51.10 H new ATOM 0 HA2 GLY A 99 -2.878 -2.431 19.258 1.00 24.11 H new ATOM 0 HA3 GLY A 99 -3.234 -1.792 20.851 1.00 24.11 H new ATOM 1259 N ASP A 100 -5.392 -3.886 20.681 1.00 4.12 N ATOM 1260 CA ASP A 100 -5.930 -5.167 21.125 1.00 52.54 C ATOM 1261 C ASP A 100 -6.441 -5.981 19.940 1.00 2.20 C ATOM 1262 O ASP A 100 -6.213 -7.187 19.858 1.00 2.13 O ATOM 1263 CB ASP A 100 -7.059 -4.948 22.133 1.00 2.44 C ATOM 1264 CG ASP A 100 -6.605 -4.162 23.348 1.00 31.54 C ATOM 1265 OD1 ASP A 100 -5.440 -4.334 23.765 1.00 51.32 O ATOM 1266 OD2 ASP A 100 -7.415 -3.376 23.882 1.00 22.13 O ATOM 0 H ASP A 100 -6.092 -3.155 20.555 1.00 4.12 H new ATOM 0 HA ASP A 100 -5.126 -5.724 21.607 1.00 52.54 H new ATOM 0 HB2 ASP A 100 -7.879 -4.419 21.647 1.00 2.44 H new ATOM 0 HB3 ASP A 100 -7.449 -5.914 22.454 1.00 2.44 H new ATOM 1271 N GLY A 101 -7.134 -5.312 19.024 1.00 75.14 N ATOM 1272 CA GLY A 101 -7.668 -5.990 17.856 1.00 2.14 C ATOM 1273 C GLY A 101 -8.953 -6.735 18.156 1.00 55.14 C ATOM 1274 O GLY A 101 -9.279 -7.717 17.490 1.00 32.25 O ATOM 0 H GLY A 101 -7.335 -4.313 19.069 1.00 75.14 H new ATOM 0 HA2 GLY A 101 -7.850 -5.260 17.068 1.00 2.14 H new ATOM 0 HA3 GLY A 101 -6.925 -6.691 17.475 1.00 2.14 H new ATOM 1278 N GLY A 102 -9.686 -6.267 19.162 1.00 74.42 N ATOM 1279 CA GLY A 102 -10.934 -6.909 19.531 1.00 33.34 C ATOM 1280 C GLY A 102 -12.101 -6.439 18.686 1.00 51.51 C ATOM 1281 O GLY A 102 -13.150 -7.082 18.651 1.00 41.25 O ATOM 0 H GLY A 102 -9.438 -5.455 19.728 1.00 74.42 H new ATOM 0 HA2 GLY A 102 -10.827 -7.989 19.429 1.00 33.34 H new ATOM 0 HA3 GLY A 102 -11.146 -6.708 20.581 1.00 33.34 H new