USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 647 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -10:sc= 0.852! USER MOD Single : A 32 THR OG1 : rot 35:sc= 0.274 USER MOD Single : A 36 SER OG : rot -155:sc= -2.76! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 42 GLN : amide:sc= -0.804 K(o=-0.8,f=-4.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.98) USER MOD Single : A 64 GLN : amide:sc= -0.108 X(o=-0.11,f=0.0061) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.6!) USER MOD Single : A 71 SER OG : rot -17:sc= 1.14 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.346 USER MOD Single : A 79 SER OG : rot 62:sc= 0.432 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -127:sc= 1.21 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.33) USER MOD Single : A 104 SER OG : rot -10:sc= 0.208! USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0414 (180deg=-0.0647) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 1.779 -2.339 -3.330 1.00 50.41 N ATOM 12 CA ILE A 2 2.843 -3.327 -3.211 1.00 25.22 C ATOM 13 C ILE A 2 4.169 -2.772 -3.722 1.00 32.34 C ATOM 14 O ILE A 2 5.241 -3.234 -3.329 1.00 41.31 O ATOM 15 CB ILE A 2 2.506 -4.614 -3.986 1.00 72.40 C ATOM 16 CG1 ILE A 2 3.636 -5.636 -3.839 1.00 14.34 C ATOM 17 CG2 ILE A 2 2.258 -4.299 -5.454 1.00 34.25 C ATOM 18 CD1 ILE A 2 3.932 -6.005 -2.402 1.00 64.32 C ATOM 0 HA ILE A 2 2.935 -3.564 -2.151 1.00 25.22 H new ATOM 0 HB ILE A 2 1.596 -5.044 -3.567 1.00 72.40 H new ATOM 0 HG12 ILE A 2 3.373 -6.538 -4.391 1.00 14.34 H new ATOM 0 HG13 ILE A 2 4.540 -5.235 -4.296 1.00 14.34 H new ATOM 0 HG21 ILE A 2 2.021 -5.219 -5.989 1.00 34.25 H new ATOM 0 HG22 ILE A 2 1.423 -3.603 -5.541 1.00 34.25 H new ATOM 0 HG23 ILE A 2 3.152 -3.849 -5.886 1.00 34.25 H new ATOM 0 HD11 ILE A 2 4.743 -6.733 -2.373 1.00 64.32 H new ATOM 0 HD12 ILE A 2 4.226 -5.112 -1.850 1.00 64.32 H new ATOM 0 HD13 ILE A 2 3.041 -6.436 -1.946 1.00 64.32 H new ATOM 30 N THR A 3 4.088 -1.777 -4.599 1.00 45.22 N ATOM 31 CA THR A 3 5.281 -1.158 -5.164 1.00 11.42 C ATOM 32 C THR A 3 6.186 -0.606 -4.068 1.00 34.33 C ATOM 33 O THR A 3 7.389 -0.439 -4.268 1.00 72.43 O ATOM 34 CB THR A 3 4.916 -0.018 -6.134 1.00 64.22 C ATOM 35 OG1 THR A 3 4.186 1.000 -5.442 1.00 11.24 O ATOM 36 CG2 THR A 3 4.087 -0.542 -7.297 1.00 64.20 C ATOM 0 H THR A 3 3.209 -1.382 -4.934 1.00 45.22 H new ATOM 0 HA THR A 3 5.812 -1.937 -5.712 1.00 11.42 H new ATOM 0 HB THR A 3 5.841 0.404 -6.528 1.00 64.22 H new ATOM 0 HG1 THR A 3 3.960 1.721 -6.066 1.00 11.24 H new ATOM 0 HG21 THR A 3 3.841 0.281 -7.968 1.00 64.20 H new ATOM 0 HG22 THR A 3 4.657 -1.296 -7.840 1.00 64.20 H new ATOM 0 HG23 THR A 3 3.167 -0.987 -6.917 1.00 64.20 H new ATOM 44 N ASP A 4 5.600 -0.326 -2.909 1.00 33.01 N ATOM 45 CA ASP A 4 6.354 0.205 -1.779 1.00 40.15 C ATOM 46 C ASP A 4 7.464 -0.757 -1.366 1.00 55.15 C ATOM 47 O ASP A 4 8.440 -0.358 -0.731 1.00 41.55 O ATOM 48 CB ASP A 4 5.423 0.468 -0.595 1.00 73.21 C ATOM 49 CG ASP A 4 4.692 1.791 -0.716 1.00 32.45 C ATOM 50 OD1 ASP A 4 5.005 2.559 -1.649 1.00 74.25 O ATOM 51 OD2 ASP A 4 3.806 2.057 0.124 1.00 45.35 O ATOM 0 H ASP A 4 4.605 -0.458 -2.727 1.00 33.01 H new ATOM 0 HA ASP A 4 6.810 1.146 -2.088 1.00 40.15 H new ATOM 0 HB2 ASP A 4 4.695 -0.340 -0.522 1.00 73.21 H new ATOM 0 HB3 ASP A 4 6.003 0.460 0.328 1.00 73.21 H new ATOM 56 N ILE A 5 7.306 -2.025 -1.730 1.00 73.10 N ATOM 57 CA ILE A 5 8.294 -3.043 -1.397 1.00 60.41 C ATOM 58 C ILE A 5 8.899 -3.655 -2.656 1.00 43.53 C ATOM 59 O ILE A 5 10.119 -3.785 -2.772 1.00 53.42 O ATOM 60 CB ILE A 5 7.679 -4.166 -0.540 1.00 4.41 C ATOM 61 CG1 ILE A 5 6.517 -3.622 0.294 1.00 42.02 C ATOM 62 CG2 ILE A 5 8.739 -4.786 0.359 1.00 15.10 C ATOM 63 CD1 ILE A 5 5.913 -4.646 1.228 1.00 32.43 C ATOM 0 H ILE A 5 6.503 -2.372 -2.255 1.00 73.10 H new ATOM 0 HA ILE A 5 9.077 -2.546 -0.824 1.00 60.41 H new ATOM 0 HB ILE A 5 7.294 -4.941 -1.203 1.00 4.41 H new ATOM 0 HG12 ILE A 5 6.867 -2.771 0.878 1.00 42.02 H new ATOM 0 HG13 ILE A 5 5.741 -3.251 -0.376 1.00 42.02 H new ATOM 0 HG21 ILE A 5 8.290 -5.578 0.959 1.00 15.10 H new ATOM 0 HG22 ILE A 5 9.537 -5.204 -0.254 1.00 15.10 H new ATOM 0 HG23 ILE A 5 9.150 -4.021 1.018 1.00 15.10 H new ATOM 0 HD11 ILE A 5 5.095 -4.191 1.787 1.00 32.43 H new ATOM 0 HD12 ILE A 5 5.532 -5.487 0.649 1.00 32.43 H new ATOM 0 HD13 ILE A 5 6.675 -4.999 1.923 1.00 32.43 H new ATOM 75 N LEU A 6 8.040 -4.027 -3.598 1.00 51.55 N ATOM 76 CA LEU A 6 8.489 -4.623 -4.852 1.00 4.42 C ATOM 77 C LEU A 6 8.624 -3.563 -5.941 1.00 61.41 C ATOM 78 O LEU A 6 8.372 -2.382 -5.706 1.00 43.42 O ATOM 79 CB LEU A 6 7.513 -5.711 -5.301 1.00 12.01 C ATOM 80 CG LEU A 6 7.928 -7.151 -4.999 1.00 60.42 C ATOM 81 CD1 LEU A 6 8.323 -7.298 -3.538 1.00 20.11 C ATOM 82 CD2 LEU A 6 6.803 -8.115 -5.349 1.00 4.01 C ATOM 0 H LEU A 6 7.028 -3.927 -3.518 1.00 51.55 H new ATOM 0 HA LEU A 6 9.468 -5.070 -4.683 1.00 4.42 H new ATOM 0 HB2 LEU A 6 6.549 -5.525 -4.827 1.00 12.01 H new ATOM 0 HB3 LEU A 6 7.363 -5.615 -6.376 1.00 12.01 H new ATOM 0 HG LEU A 6 8.794 -7.396 -5.614 1.00 60.42 H new ATOM 0 HD11 LEU A 6 8.615 -8.330 -3.342 1.00 20.11 H new ATOM 0 HD12 LEU A 6 9.161 -6.636 -3.319 1.00 20.11 H new ATOM 0 HD13 LEU A 6 7.477 -7.034 -2.904 1.00 20.11 H new ATOM 0 HD21 LEU A 6 7.116 -9.135 -5.128 1.00 4.01 H new ATOM 0 HD22 LEU A 6 5.919 -7.871 -4.761 1.00 4.01 H new ATOM 0 HD23 LEU A 6 6.568 -8.030 -6.410 1.00 4.01 H new ATOM 94 N SER A 7 9.021 -3.996 -7.134 1.00 12.42 N ATOM 95 CA SER A 7 9.190 -3.084 -8.259 1.00 64.35 C ATOM 96 C SER A 7 8.355 -3.535 -9.454 1.00 63.10 C ATOM 97 O SER A 7 8.425 -4.690 -9.874 1.00 5.30 O ATOM 98 CB SER A 7 10.665 -3.000 -8.657 1.00 4.32 C ATOM 99 OG SER A 7 11.332 -1.982 -7.930 1.00 53.23 O ATOM 0 H SER A 7 9.231 -4.971 -7.346 1.00 12.42 H new ATOM 0 HA SER A 7 8.847 -2.097 -7.949 1.00 64.35 H new ATOM 0 HB2 SER A 7 11.150 -3.959 -8.474 1.00 4.32 H new ATOM 0 HB3 SER A 7 10.746 -2.801 -9.726 1.00 4.32 H new ATOM 0 HG SER A 7 12.273 -1.950 -8.201 1.00 53.23 H new ATOM 105 N ALA A 8 7.565 -2.615 -9.996 1.00 51.35 N ATOM 106 CA ALA A 8 6.717 -2.916 -11.144 1.00 3.54 C ATOM 107 C ALA A 8 7.532 -3.508 -12.288 1.00 65.10 C ATOM 108 O ALA A 8 7.121 -4.483 -12.917 1.00 65.42 O ATOM 109 CB ALA A 8 5.990 -1.662 -11.605 1.00 55.33 C ATOM 0 H ALA A 8 7.494 -1.655 -9.659 1.00 51.35 H new ATOM 0 HA ALA A 8 5.980 -3.658 -10.836 1.00 3.54 H new ATOM 0 HB1 ALA A 8 5.361 -1.901 -12.462 1.00 55.33 H new ATOM 0 HB2 ALA A 8 5.369 -1.282 -10.794 1.00 55.33 H new ATOM 0 HB3 ALA A 8 6.719 -0.903 -11.890 1.00 55.33 H new ATOM 115 N LYS A 9 8.690 -2.913 -12.554 1.00 1.40 N ATOM 116 CA LYS A 9 9.564 -3.381 -13.623 1.00 24.14 C ATOM 117 C LYS A 9 10.010 -4.818 -13.370 1.00 42.13 C ATOM 118 O LYS A 9 10.463 -5.507 -14.285 1.00 33.04 O ATOM 119 CB LYS A 9 10.788 -2.470 -13.745 1.00 21.23 C ATOM 120 CG LYS A 9 11.285 -2.307 -15.171 1.00 10.03 C ATOM 121 CD LYS A 9 11.364 -0.843 -15.569 1.00 44.13 C ATOM 122 CE LYS A 9 10.114 -0.399 -16.313 1.00 61.11 C ATOM 123 NZ LYS A 9 9.065 0.103 -15.384 1.00 13.15 N ATOM 0 H LYS A 9 9.045 -2.105 -12.043 1.00 1.40 H new ATOM 0 HA LYS A 9 9.003 -3.352 -14.557 1.00 24.14 H new ATOM 0 HB2 LYS A 9 10.542 -1.488 -13.341 1.00 21.23 H new ATOM 0 HB3 LYS A 9 11.594 -2.874 -13.132 1.00 21.23 H new ATOM 0 HG2 LYS A 9 12.269 -2.765 -15.269 1.00 10.03 H new ATOM 0 HG3 LYS A 9 10.618 -2.835 -15.853 1.00 10.03 H new ATOM 0 HD2 LYS A 9 11.495 -0.229 -14.678 1.00 44.13 H new ATOM 0 HD3 LYS A 9 12.239 -0.683 -16.198 1.00 44.13 H new ATOM 0 HE2 LYS A 9 10.374 0.385 -17.025 1.00 61.11 H new ATOM 0 HE3 LYS A 9 9.718 -1.235 -16.890 1.00 61.11 H new ATOM 0 HZ1 LYS A 9 8.229 0.396 -15.930 1.00 13.15 H new ATOM 0 HZ2 LYS A 9 8.798 -0.652 -14.721 1.00 13.15 H new ATOM 0 HZ3 LYS A 9 9.433 0.917 -14.852 1.00 13.15 H new ATOM 137 N ASP A 10 9.878 -5.264 -12.126 1.00 11.51 N ATOM 138 CA ASP A 10 10.265 -6.620 -11.754 1.00 52.42 C ATOM 139 C ASP A 10 9.040 -7.522 -11.639 1.00 1.32 C ATOM 140 O ASP A 10 9.134 -8.738 -11.810 1.00 5.52 O ATOM 141 CB ASP A 10 11.033 -6.609 -10.431 1.00 75.34 C ATOM 142 CG ASP A 10 12.417 -7.214 -10.561 1.00 33.14 C ATOM 143 OD1 ASP A 10 12.546 -8.266 -11.222 1.00 53.44 O ATOM 144 OD2 ASP A 10 13.371 -6.636 -10.001 1.00 1.43 O ATOM 0 H ASP A 10 9.506 -4.706 -11.357 1.00 11.51 H new ATOM 0 HA ASP A 10 10.912 -7.015 -12.537 1.00 52.42 H new ATOM 0 HB2 ASP A 10 11.120 -5.583 -10.073 1.00 75.34 H new ATOM 0 HB3 ASP A 10 10.467 -7.161 -9.681 1.00 75.34 H new ATOM 149 N ILE A 11 7.893 -6.919 -11.347 1.00 13.41 N ATOM 150 CA ILE A 11 6.650 -7.668 -11.209 1.00 0.33 C ATOM 151 C ILE A 11 6.085 -8.051 -12.572 1.00 72.21 C ATOM 152 O ILE A 11 5.810 -9.222 -12.833 1.00 55.33 O ATOM 153 CB ILE A 11 5.590 -6.862 -10.434 1.00 62.14 C ATOM 154 CG1 ILE A 11 6.084 -6.556 -9.019 1.00 45.41 C ATOM 155 CG2 ILE A 11 4.275 -7.625 -10.388 1.00 55.32 C ATOM 156 CD1 ILE A 11 5.461 -5.316 -8.416 1.00 73.53 C ATOM 0 H ILE A 11 7.798 -5.914 -11.201 1.00 13.41 H new ATOM 0 HA ILE A 11 6.887 -8.573 -10.649 1.00 0.33 H new ATOM 0 HB ILE A 11 5.422 -5.918 -10.952 1.00 62.14 H new ATOM 0 HG12 ILE A 11 5.870 -7.410 -8.376 1.00 45.41 H new ATOM 0 HG13 ILE A 11 7.167 -6.435 -9.039 1.00 45.41 H new ATOM 0 HG21 ILE A 11 3.536 -7.043 -9.837 1.00 55.32 H new ATOM 0 HG22 ILE A 11 3.918 -7.797 -11.404 1.00 55.32 H new ATOM 0 HG23 ILE A 11 4.427 -8.583 -9.890 1.00 55.32 H new ATOM 0 HD11 ILE A 11 5.858 -5.161 -7.413 1.00 73.53 H new ATOM 0 HD12 ILE A 11 5.696 -4.452 -9.037 1.00 73.53 H new ATOM 0 HD13 ILE A 11 4.379 -5.441 -8.363 1.00 73.53 H new ATOM 168 N GLU A 12 5.916 -7.057 -13.438 1.00 3.40 N ATOM 169 CA GLU A 12 5.385 -7.291 -14.775 1.00 52.25 C ATOM 170 C GLU A 12 6.244 -8.299 -15.533 1.00 51.25 C ATOM 171 O GLU A 12 5.739 -9.074 -16.346 1.00 23.14 O ATOM 172 CB GLU A 12 5.312 -5.977 -15.557 1.00 34.24 C ATOM 173 CG GLU A 12 6.658 -5.501 -16.075 1.00 24.33 C ATOM 174 CD GLU A 12 6.606 -4.090 -16.626 1.00 53.32 C ATOM 175 OE1 GLU A 12 5.493 -3.529 -16.714 1.00 60.24 O ATOM 176 OE2 GLU A 12 7.676 -3.546 -16.970 1.00 11.14 O ATOM 0 H GLU A 12 6.139 -6.082 -13.237 1.00 3.40 H new ATOM 0 HA GLU A 12 4.380 -7.700 -14.672 1.00 52.25 H new ATOM 0 HB2 GLU A 12 4.632 -6.103 -16.399 1.00 34.24 H new ATOM 0 HB3 GLU A 12 4.886 -5.206 -14.916 1.00 34.24 H new ATOM 0 HG2 GLU A 12 7.390 -5.545 -15.268 1.00 24.33 H new ATOM 0 HG3 GLU A 12 7.003 -6.179 -16.855 1.00 24.33 H new ATOM 183 N SER A 13 7.545 -8.281 -15.262 1.00 60.01 N ATOM 184 CA SER A 13 8.476 -9.190 -15.921 1.00 12.20 C ATOM 185 C SER A 13 8.484 -10.552 -15.233 1.00 52.35 C ATOM 186 O SER A 13 9.186 -11.469 -15.657 1.00 45.11 O ATOM 187 CB SER A 13 9.886 -8.597 -15.921 1.00 24.43 C ATOM 188 OG SER A 13 10.837 -9.543 -16.381 1.00 14.43 O ATOM 0 H SER A 13 7.978 -7.647 -14.591 1.00 60.01 H new ATOM 0 HA SER A 13 8.146 -9.325 -16.951 1.00 12.20 H new ATOM 0 HB2 SER A 13 9.912 -7.712 -16.557 1.00 24.43 H new ATOM 0 HB3 SER A 13 10.148 -8.274 -14.914 1.00 24.43 H new ATOM 0 HG SER A 13 10.415 -10.425 -16.449 1.00 14.43 H new ATOM 194 N ALA A 14 7.697 -10.675 -14.170 1.00 31.14 N ATOM 195 CA ALA A 14 7.611 -11.924 -13.424 1.00 31.52 C ATOM 196 C ALA A 14 6.235 -12.563 -13.579 1.00 70.13 C ATOM 197 O ALA A 14 6.017 -13.702 -13.164 1.00 64.32 O ATOM 198 CB ALA A 14 7.920 -11.684 -11.954 1.00 1.24 C ATOM 0 H ALA A 14 7.110 -9.925 -13.806 1.00 31.14 H new ATOM 0 HA ALA A 14 8.351 -12.613 -13.832 1.00 31.52 H new ATOM 0 HB1 ALA A 14 7.852 -12.626 -11.409 1.00 1.24 H new ATOM 0 HB2 ALA A 14 8.927 -11.280 -11.855 1.00 1.24 H new ATOM 0 HB3 ALA A 14 7.202 -10.974 -11.543 1.00 1.24 H new ATOM 455 N THR A 32 14.193 -12.666 -10.825 1.00 11.01 N ATOM 456 CA THR A 32 12.839 -12.700 -10.287 1.00 53.12 C ATOM 457 C THR A 32 12.400 -11.319 -9.815 1.00 11.41 C ATOM 458 O THR A 32 13.230 -10.448 -9.554 1.00 41.33 O ATOM 459 CB THR A 32 12.725 -13.691 -9.114 1.00 31.32 C ATOM 460 OG1 THR A 32 13.401 -14.912 -9.436 1.00 42.41 O ATOM 461 CG2 THR A 32 11.267 -13.983 -8.792 1.00 21.43 C ATOM 0 HA THR A 32 12.186 -13.029 -11.096 1.00 53.12 H new ATOM 0 HB THR A 32 13.191 -13.238 -8.239 1.00 31.32 H new ATOM 0 HG1 THR A 32 14.188 -14.715 -9.985 1.00 42.41 H new ATOM 0 HG21 THR A 32 11.212 -14.685 -7.960 1.00 21.43 H new ATOM 0 HG22 THR A 32 10.762 -13.056 -8.519 1.00 21.43 H new ATOM 0 HG23 THR A 32 10.781 -14.417 -9.666 1.00 21.43 H new ATOM 469 N VAL A 33 11.089 -11.124 -9.706 1.00 24.22 N ATOM 470 CA VAL A 33 10.540 -9.848 -9.263 1.00 20.43 C ATOM 471 C VAL A 33 11.242 -9.356 -8.002 1.00 72.10 C ATOM 472 O VAL A 33 11.390 -8.153 -7.791 1.00 21.20 O ATOM 473 CB VAL A 33 9.028 -9.954 -8.988 1.00 2.53 C ATOM 474 CG1 VAL A 33 8.741 -11.080 -8.007 1.00 32.10 C ATOM 475 CG2 VAL A 33 8.489 -8.630 -8.466 1.00 31.44 C ATOM 0 H VAL A 33 10.388 -11.834 -9.919 1.00 24.22 H new ATOM 0 HA VAL A 33 10.706 -9.134 -10.070 1.00 20.43 H new ATOM 0 HB VAL A 33 8.520 -10.184 -9.925 1.00 2.53 H new ATOM 0 HG11 VAL A 33 7.668 -11.139 -7.825 1.00 32.10 H new ATOM 0 HG12 VAL A 33 9.091 -12.024 -8.424 1.00 32.10 H new ATOM 0 HG13 VAL A 33 9.258 -10.885 -7.067 1.00 32.10 H new ATOM 0 HG21 VAL A 33 7.419 -8.722 -8.277 1.00 31.44 H new ATOM 0 HG22 VAL A 33 9.000 -8.369 -7.539 1.00 31.44 H new ATOM 0 HG23 VAL A 33 8.661 -7.850 -9.207 1.00 31.44 H new ATOM 485 N GLY A 34 11.673 -10.296 -7.166 1.00 10.32 N ATOM 486 CA GLY A 34 12.355 -9.938 -5.936 1.00 12.12 C ATOM 487 C GLY A 34 11.786 -10.655 -4.728 1.00 13.04 C ATOM 488 O GLY A 34 12.525 -11.051 -3.826 1.00 24.21 O ATOM 0 H GLY A 34 11.562 -11.298 -7.319 1.00 10.32 H new ATOM 0 HA2 GLY A 34 13.415 -10.175 -6.030 1.00 12.12 H new ATOM 0 HA3 GLY A 34 12.281 -8.861 -5.784 1.00 12.12 H new ATOM 492 N LEU A 35 10.468 -10.821 -4.707 1.00 71.41 N ATOM 493 CA LEU A 35 9.799 -11.494 -3.599 1.00 71.51 C ATOM 494 C LEU A 35 10.449 -12.844 -3.309 1.00 52.35 C ATOM 495 O LEU A 35 10.822 -13.133 -2.173 1.00 12.04 O ATOM 496 CB LEU A 35 8.315 -11.688 -3.915 1.00 52.23 C ATOM 497 CG LEU A 35 7.331 -11.143 -2.879 1.00 23.42 C ATOM 498 CD1 LEU A 35 5.909 -11.558 -3.223 1.00 2.00 C ATOM 499 CD2 LEU A 35 7.706 -11.624 -1.484 1.00 40.33 C ATOM 0 H LEU A 35 9.841 -10.499 -5.445 1.00 71.41 H new ATOM 0 HA LEU A 35 9.897 -10.866 -2.713 1.00 71.51 H new ATOM 0 HB2 LEU A 35 8.103 -11.213 -4.873 1.00 52.23 H new ATOM 0 HB3 LEU A 35 8.127 -12.754 -4.039 1.00 52.23 H new ATOM 0 HG LEU A 35 7.383 -10.054 -2.893 1.00 23.42 H new ATOM 0 HD11 LEU A 35 5.223 -11.161 -2.475 1.00 2.00 H new ATOM 0 HD12 LEU A 35 5.643 -11.165 -4.204 1.00 2.00 H new ATOM 0 HD13 LEU A 35 5.841 -12.646 -3.237 1.00 2.00 H new ATOM 0 HD21 LEU A 35 6.996 -11.227 -0.759 1.00 40.33 H new ATOM 0 HD22 LEU A 35 7.682 -12.713 -1.456 1.00 40.33 H new ATOM 0 HD23 LEU A 35 8.709 -11.276 -1.237 1.00 40.33 H new ATOM 511 N SER A 36 10.583 -13.665 -4.346 1.00 52.10 N ATOM 512 CA SER A 36 11.186 -14.985 -4.203 1.00 5.43 C ATOM 513 C SER A 36 12.591 -14.879 -3.616 1.00 50.33 C ATOM 514 O SER A 36 13.104 -15.831 -3.029 1.00 60.45 O ATOM 515 CB SER A 36 11.239 -15.694 -5.557 1.00 21.41 C ATOM 516 OG SER A 36 10.174 -15.277 -6.393 1.00 42.23 O ATOM 0 H SER A 36 10.282 -13.439 -5.294 1.00 52.10 H new ATOM 0 HA SER A 36 10.568 -15.568 -3.520 1.00 5.43 H new ATOM 0 HB2 SER A 36 12.191 -15.484 -6.044 1.00 21.41 H new ATOM 0 HB3 SER A 36 11.188 -16.773 -5.408 1.00 21.41 H new ATOM 0 HG SER A 36 9.980 -15.978 -7.049 1.00 42.23 H new ATOM 522 N SER A 37 13.207 -13.712 -3.780 1.00 23.52 N ATOM 523 CA SER A 37 14.554 -13.482 -3.271 1.00 1.43 C ATOM 524 C SER A 37 14.577 -12.294 -2.314 1.00 11.25 C ATOM 525 O SER A 37 15.535 -11.521 -2.286 1.00 23.40 O ATOM 526 CB SER A 37 15.525 -13.237 -4.428 1.00 33.42 C ATOM 527 OG SER A 37 16.826 -13.700 -4.108 1.00 54.15 O ATOM 0 H SER A 37 12.795 -12.912 -4.261 1.00 23.52 H new ATOM 0 HA SER A 37 14.867 -14.373 -2.726 1.00 1.43 H new ATOM 0 HB2 SER A 37 15.165 -13.744 -5.323 1.00 33.42 H new ATOM 0 HB3 SER A 37 15.561 -12.172 -4.658 1.00 33.42 H new ATOM 0 HG SER A 37 17.428 -13.534 -4.864 1.00 54.15 H new ATOM 533 N LYS A 38 13.514 -12.154 -1.529 1.00 53.20 N ATOM 534 CA LYS A 38 13.409 -11.062 -0.568 1.00 44.15 C ATOM 535 C LYS A 38 13.812 -11.525 0.828 1.00 62.21 C ATOM 536 O LYS A 38 13.947 -12.723 1.082 1.00 52.23 O ATOM 537 CB LYS A 38 11.981 -10.512 -0.543 1.00 23.42 C ATOM 538 CG LYS A 38 11.798 -9.257 -1.377 1.00 54.33 C ATOM 539 CD LYS A 38 12.284 -8.021 -0.639 1.00 55.41 C ATOM 540 CE LYS A 38 12.572 -6.876 -1.598 1.00 52.12 C ATOM 541 NZ LYS A 38 12.630 -5.565 -0.895 1.00 44.51 N ATOM 0 H LYS A 38 12.712 -12.784 -1.540 1.00 53.20 H new ATOM 0 HA LYS A 38 14.091 -10.271 -0.880 1.00 44.15 H new ATOM 0 HB2 LYS A 38 11.298 -11.281 -0.904 1.00 23.42 H new ATOM 0 HB3 LYS A 38 11.702 -10.297 0.488 1.00 23.42 H new ATOM 0 HG2 LYS A 38 12.344 -9.360 -2.315 1.00 54.33 H new ATOM 0 HG3 LYS A 38 10.745 -9.139 -1.632 1.00 54.33 H new ATOM 0 HD2 LYS A 38 11.532 -7.709 0.086 1.00 55.41 H new ATOM 0 HD3 LYS A 38 13.187 -8.263 -0.078 1.00 55.41 H new ATOM 0 HE2 LYS A 38 13.519 -7.058 -2.106 1.00 52.12 H new ATOM 0 HE3 LYS A 38 11.799 -6.842 -2.366 1.00 52.12 H new ATOM 0 HZ1 LYS A 38 12.828 -4.811 -1.583 1.00 44.51 H new ATOM 0 HZ2 LYS A 38 11.718 -5.379 -0.431 1.00 44.51 H new ATOM 0 HZ3 LYS A 38 13.384 -5.588 -0.179 1.00 44.51 H new ATOM 555 N THR A 39 14.002 -10.569 1.732 1.00 63.10 N ATOM 556 CA THR A 39 14.389 -10.879 3.102 1.00 22.24 C ATOM 557 C THR A 39 13.195 -11.371 3.913 1.00 64.32 C ATOM 558 O THR A 39 12.046 -11.020 3.646 1.00 70.45 O ATOM 559 CB THR A 39 15.001 -9.652 3.805 1.00 62.53 C ATOM 560 OG1 THR A 39 16.263 -10.000 4.386 1.00 41.42 O ATOM 561 CG2 THR A 39 14.068 -9.125 4.884 1.00 31.20 C ATOM 0 H THR A 39 13.894 -9.573 1.539 1.00 63.10 H new ATOM 0 HA THR A 39 15.138 -11.669 3.047 1.00 22.24 H new ATOM 0 HB THR A 39 15.147 -8.869 3.061 1.00 62.53 H new ATOM 0 HG1 THR A 39 16.647 -9.215 4.829 1.00 41.42 H new ATOM 0 HG21 THR A 39 14.522 -8.259 5.366 1.00 31.20 H new ATOM 0 HG22 THR A 39 13.119 -8.834 4.434 1.00 31.20 H new ATOM 0 HG23 THR A 39 13.894 -9.904 5.627 1.00 31.20 H new ATOM 569 N PRO A 40 13.471 -12.203 4.928 1.00 30.40 N ATOM 570 CA PRO A 40 12.432 -12.761 5.799 1.00 11.52 C ATOM 571 C PRO A 40 11.807 -11.705 6.705 1.00 5.31 C ATOM 572 O PRO A 40 12.082 -11.661 7.904 1.00 3.03 O ATOM 573 CB PRO A 40 13.187 -13.800 6.631 1.00 33.33 C ATOM 574 CG PRO A 40 14.600 -13.329 6.635 1.00 70.32 C ATOM 575 CD PRO A 40 14.818 -12.664 5.304 1.00 21.00 C ATOM 0 HA PRO A 40 11.600 -13.175 5.228 1.00 11.52 H new ATOM 0 HB2 PRO A 40 12.788 -13.862 7.643 1.00 33.33 H new ATOM 0 HB3 PRO A 40 13.103 -14.795 6.193 1.00 33.33 H new ATOM 0 HG2 PRO A 40 14.777 -12.631 7.454 1.00 70.32 H new ATOM 0 HG3 PRO A 40 15.289 -14.162 6.772 1.00 70.32 H new ATOM 0 HD2 PRO A 40 15.520 -11.834 5.380 1.00 21.00 H new ATOM 0 HD3 PRO A 40 15.224 -13.359 4.569 1.00 21.00 H new ATOM 583 N ASP A 41 10.966 -10.856 6.124 1.00 24.33 N ATOM 584 CA ASP A 41 10.301 -9.801 6.880 1.00 64.11 C ATOM 585 C ASP A 41 9.423 -8.951 5.968 1.00 54.21 C ATOM 586 O ASP A 41 8.383 -8.445 6.389 1.00 74.03 O ATOM 587 CB ASP A 41 11.335 -8.918 7.581 1.00 34.14 C ATOM 588 CG ASP A 41 11.002 -8.687 9.043 1.00 64.45 C ATOM 589 OD1 ASP A 41 9.831 -8.374 9.343 1.00 43.22 O ATOM 590 OD2 ASP A 41 11.913 -8.821 9.886 1.00 64.31 O ATOM 0 H ASP A 41 10.729 -10.878 5.132 1.00 24.33 H new ATOM 0 HA ASP A 41 9.666 -10.270 7.631 1.00 64.11 H new ATOM 0 HB2 ASP A 41 12.318 -9.383 7.504 1.00 34.14 H new ATOM 0 HB3 ASP A 41 11.396 -7.958 7.069 1.00 34.14 H new ATOM 595 N GLN A 42 9.849 -8.798 4.718 1.00 1.55 N ATOM 596 CA GLN A 42 9.101 -8.007 3.748 1.00 3.31 C ATOM 597 C GLN A 42 8.051 -8.860 3.045 1.00 51.45 C ATOM 598 O GLN A 42 6.985 -8.367 2.672 1.00 25.12 O ATOM 599 CB GLN A 42 10.051 -7.394 2.718 1.00 43.32 C ATOM 600 CG GLN A 42 11.234 -6.667 3.337 1.00 13.54 C ATOM 601 CD GLN A 42 10.833 -5.794 4.510 1.00 13.14 C ATOM 602 OE1 GLN A 42 10.866 -6.228 5.662 1.00 32.31 O ATOM 603 NE2 GLN A 42 10.451 -4.555 4.224 1.00 51.25 N ATOM 0 H GLN A 42 10.707 -9.211 4.354 1.00 1.55 H new ATOM 0 HA GLN A 42 8.592 -7.206 4.284 1.00 3.31 H new ATOM 0 HB2 GLN A 42 10.422 -8.183 2.064 1.00 43.32 H new ATOM 0 HB3 GLN A 42 9.494 -6.697 2.092 1.00 43.32 H new ATOM 0 HG2 GLN A 42 11.972 -7.398 3.668 1.00 13.54 H new ATOM 0 HG3 GLN A 42 11.715 -6.050 2.578 1.00 13.54 H new ATOM 0 HE21 GLN A 42 10.438 -4.236 3.255 1.00 51.25 H new ATOM 0 HE22 GLN A 42 10.170 -3.922 4.973 1.00 51.25 H new ATOM 612 N ILE A 43 8.358 -10.140 2.865 1.00 4.25 N ATOM 613 CA ILE A 43 7.440 -11.061 2.207 1.00 2.32 C ATOM 614 C ILE A 43 6.071 -11.046 2.879 1.00 24.32 C ATOM 615 O ILE A 43 5.044 -10.901 2.217 1.00 14.11 O ATOM 616 CB ILE A 43 7.987 -12.500 2.212 1.00 30.40 C ATOM 617 CG1 ILE A 43 9.353 -12.553 1.525 1.00 3.35 C ATOM 618 CG2 ILE A 43 7.007 -13.441 1.527 1.00 64.34 C ATOM 619 CD1 ILE A 43 10.023 -13.906 1.615 1.00 61.03 C ATOM 0 H ILE A 43 9.236 -10.563 3.166 1.00 4.25 H new ATOM 0 HA ILE A 43 7.339 -10.724 1.175 1.00 2.32 H new ATOM 0 HB ILE A 43 8.109 -12.823 3.246 1.00 30.40 H new ATOM 0 HG12 ILE A 43 9.233 -12.285 0.475 1.00 3.35 H new ATOM 0 HG13 ILE A 43 10.005 -11.803 1.973 1.00 3.35 H new ATOM 0 HG21 ILE A 43 7.408 -14.455 1.538 1.00 64.34 H new ATOM 0 HG22 ILE A 43 6.054 -13.421 2.056 1.00 64.34 H new ATOM 0 HG23 ILE A 43 6.857 -13.122 0.496 1.00 64.34 H new ATOM 0 HD11 ILE A 43 10.986 -13.869 1.107 1.00 61.03 H new ATOM 0 HD12 ILE A 43 10.175 -14.168 2.662 1.00 61.03 H new ATOM 0 HD13 ILE A 43 9.391 -14.657 1.141 1.00 61.03 H new ATOM 631 N LYS A 44 6.065 -11.197 4.199 1.00 0.43 N ATOM 632 CA LYS A 44 4.823 -11.198 4.964 1.00 43.03 C ATOM 633 C LYS A 44 3.989 -9.961 4.648 1.00 54.01 C ATOM 634 O LYS A 44 2.775 -10.049 4.461 1.00 31.31 O ATOM 635 CB LYS A 44 5.124 -11.254 6.463 1.00 34.52 C ATOM 636 CG LYS A 44 6.213 -10.292 6.902 1.00 1.51 C ATOM 637 CD LYS A 44 6.399 -10.309 8.410 1.00 32.31 C ATOM 638 CE LYS A 44 6.870 -11.671 8.898 1.00 52.13 C ATOM 639 NZ LYS A 44 7.176 -11.663 10.355 1.00 12.20 N ATOM 0 H LYS A 44 6.907 -11.320 4.762 1.00 0.43 H new ATOM 0 HA LYS A 44 4.251 -12.082 4.681 1.00 43.03 H new ATOM 0 HB2 LYS A 44 4.211 -11.033 7.017 1.00 34.52 H new ATOM 0 HB3 LYS A 44 5.420 -12.269 6.728 1.00 34.52 H new ATOM 0 HG2 LYS A 44 7.152 -10.558 6.416 1.00 1.51 H new ATOM 0 HG3 LYS A 44 5.960 -9.283 6.577 1.00 1.51 H new ATOM 0 HD2 LYS A 44 7.124 -9.548 8.697 1.00 32.31 H new ATOM 0 HD3 LYS A 44 5.458 -10.052 8.897 1.00 32.31 H new ATOM 0 HE2 LYS A 44 6.101 -12.416 8.693 1.00 52.13 H new ATOM 0 HE3 LYS A 44 7.759 -11.968 8.342 1.00 52.13 H new ATOM 0 HZ1 LYS A 44 7.493 -12.609 10.648 1.00 12.20 H new ATOM 0 HZ2 LYS A 44 7.927 -10.970 10.548 1.00 12.20 H new ATOM 0 HZ3 LYS A 44 6.321 -11.404 10.888 1.00 12.20 H new ATOM 653 N LYS A 45 4.647 -8.808 4.588 1.00 33.22 N ATOM 654 CA LYS A 45 3.967 -7.553 4.292 1.00 14.11 C ATOM 655 C LYS A 45 3.294 -7.608 2.924 1.00 10.02 C ATOM 656 O LYS A 45 2.312 -6.908 2.675 1.00 22.14 O ATOM 657 CB LYS A 45 4.959 -6.389 4.338 1.00 54.51 C ATOM 658 CG LYS A 45 5.321 -5.953 5.747 1.00 32.13 C ATOM 659 CD LYS A 45 6.658 -5.232 5.782 1.00 61.51 C ATOM 660 CE LYS A 45 7.179 -5.093 7.204 1.00 3.30 C ATOM 661 NZ LYS A 45 6.677 -3.854 7.860 1.00 50.44 N ATOM 0 H LYS A 45 5.651 -8.717 4.741 1.00 33.22 H new ATOM 0 HA LYS A 45 3.198 -7.398 5.049 1.00 14.11 H new ATOM 0 HB2 LYS A 45 5.869 -6.677 3.811 1.00 54.51 H new ATOM 0 HB3 LYS A 45 4.535 -5.540 3.802 1.00 54.51 H new ATOM 0 HG2 LYS A 45 4.543 -5.297 6.137 1.00 32.13 H new ATOM 0 HG3 LYS A 45 5.360 -6.825 6.400 1.00 32.13 H new ATOM 0 HD2 LYS A 45 7.383 -5.779 5.179 1.00 61.51 H new ATOM 0 HD3 LYS A 45 6.552 -4.244 5.334 1.00 61.51 H new ATOM 0 HE2 LYS A 45 6.876 -5.962 7.788 1.00 3.30 H new ATOM 0 HE3 LYS A 45 8.269 -5.082 7.192 1.00 3.30 H new ATOM 0 HZ1 LYS A 45 7.055 -3.796 8.827 1.00 50.44 H new ATOM 0 HZ2 LYS A 45 6.988 -3.023 7.317 1.00 50.44 H new ATOM 0 HZ3 LYS A 45 5.638 -3.876 7.895 1.00 50.44 H new ATOM 675 N VAL A 46 3.828 -8.445 2.041 1.00 72.35 N ATOM 676 CA VAL A 46 3.277 -8.594 0.699 1.00 43.44 C ATOM 677 C VAL A 46 2.065 -9.518 0.701 1.00 52.30 C ATOM 678 O VAL A 46 1.254 -9.498 -0.225 1.00 14.40 O ATOM 679 CB VAL A 46 4.329 -9.147 -0.281 1.00 71.14 C ATOM 680 CG1 VAL A 46 3.722 -9.341 -1.662 1.00 71.55 C ATOM 681 CG2 VAL A 46 5.535 -8.223 -0.346 1.00 4.25 C ATOM 0 H VAL A 46 4.642 -9.030 2.230 1.00 72.35 H new ATOM 0 HA VAL A 46 2.971 -7.601 0.371 1.00 43.44 H new ATOM 0 HB VAL A 46 4.664 -10.118 0.083 1.00 71.14 H new ATOM 0 HG11 VAL A 46 4.480 -9.732 -2.341 1.00 71.55 H new ATOM 0 HG12 VAL A 46 2.893 -10.045 -1.599 1.00 71.55 H new ATOM 0 HG13 VAL A 46 3.358 -8.385 -2.037 1.00 71.55 H new ATOM 0 HG21 VAL A 46 6.268 -8.630 -1.043 1.00 4.25 H new ATOM 0 HG22 VAL A 46 5.220 -7.236 -0.686 1.00 4.25 H new ATOM 0 HG23 VAL A 46 5.983 -8.140 0.644 1.00 4.25 H new ATOM 691 N PHE A 47 1.947 -10.327 1.748 1.00 31.32 N ATOM 692 CA PHE A 47 0.833 -11.260 1.872 1.00 71.24 C ATOM 693 C PHE A 47 -0.393 -10.568 2.460 1.00 31.54 C ATOM 694 O PHE A 47 -1.525 -11.006 2.255 1.00 4.41 O ATOM 695 CB PHE A 47 1.231 -12.450 2.748 1.00 40.14 C ATOM 696 CG PHE A 47 0.097 -12.997 3.567 1.00 62.34 C ATOM 697 CD1 PHE A 47 -0.898 -13.758 2.975 1.00 53.24 C ATOM 698 CD2 PHE A 47 0.027 -12.752 4.928 1.00 2.14 C ATOM 699 CE1 PHE A 47 -1.943 -14.262 3.726 1.00 51.11 C ATOM 700 CE2 PHE A 47 -1.015 -13.254 5.685 1.00 51.20 C ATOM 701 CZ PHE A 47 -2.001 -14.011 5.083 1.00 41.31 C ATOM 0 H PHE A 47 2.609 -10.356 2.523 1.00 31.32 H new ATOM 0 HA PHE A 47 0.581 -11.621 0.875 1.00 71.24 H new ATOM 0 HB2 PHE A 47 1.625 -13.243 2.113 1.00 40.14 H new ATOM 0 HB3 PHE A 47 2.037 -12.146 3.416 1.00 40.14 H new ATOM 0 HD1 PHE A 47 -0.857 -13.960 1.915 1.00 53.24 H new ATOM 0 HD2 PHE A 47 0.796 -12.161 5.404 1.00 2.14 H new ATOM 0 HE1 PHE A 47 -2.714 -14.852 3.252 1.00 51.11 H new ATOM 0 HE2 PHE A 47 -1.058 -13.055 6.746 1.00 51.20 H new ATOM 0 HZ PHE A 47 -2.816 -14.406 5.672 1.00 41.31 H new ATOM 711 N GLY A 48 -0.159 -9.485 3.195 1.00 65.11 N ATOM 712 CA GLY A 48 -1.252 -8.750 3.803 1.00 31.22 C ATOM 713 C GLY A 48 -2.029 -7.927 2.795 1.00 3.41 C ATOM 714 O GLY A 48 -3.032 -7.300 3.137 1.00 73.20 O ATOM 0 H GLY A 48 0.769 -9.104 3.380 1.00 65.11 H new ATOM 0 HA2 GLY A 48 -1.928 -9.450 4.294 1.00 31.22 H new ATOM 0 HA3 GLY A 48 -0.857 -8.092 4.577 1.00 31.22 H new ATOM 718 N ILE A 49 -1.564 -7.925 1.551 1.00 64.45 N ATOM 719 CA ILE A 49 -2.221 -7.172 0.490 1.00 14.24 C ATOM 720 C ILE A 49 -3.093 -8.080 -0.370 1.00 15.11 C ATOM 721 O ILE A 49 -3.903 -7.607 -1.169 1.00 11.13 O ATOM 722 CB ILE A 49 -1.197 -6.458 -0.411 1.00 54.44 C ATOM 723 CG1 ILE A 49 -0.069 -5.862 0.433 1.00 12.03 C ATOM 724 CG2 ILE A 49 -1.880 -5.374 -1.233 1.00 61.20 C ATOM 725 CD1 ILE A 49 0.985 -5.149 -0.384 1.00 2.44 C ATOM 0 H ILE A 49 -0.734 -8.437 1.253 1.00 64.45 H new ATOM 0 HA ILE A 49 -2.848 -6.424 0.976 1.00 14.24 H new ATOM 0 HB ILE A 49 -0.766 -7.189 -1.095 1.00 54.44 H new ATOM 0 HG12 ILE A 49 -0.495 -5.162 1.152 1.00 12.03 H new ATOM 0 HG13 ILE A 49 0.405 -6.659 1.006 1.00 12.03 H new ATOM 0 HG21 ILE A 49 -1.143 -4.878 -1.865 1.00 61.20 H new ATOM 0 HG22 ILE A 49 -2.651 -5.823 -1.859 1.00 61.20 H new ATOM 0 HG23 ILE A 49 -2.335 -4.643 -0.565 1.00 61.20 H new ATOM 0 HD11 ILE A 49 1.753 -4.752 0.280 1.00 2.44 H new ATOM 0 HD12 ILE A 49 1.438 -5.850 -1.085 1.00 2.44 H new ATOM 0 HD13 ILE A 49 0.525 -4.330 -0.937 1.00 2.44 H new ATOM 737 N LEU A 50 -2.924 -9.387 -0.201 1.00 14.44 N ATOM 738 CA LEU A 50 -3.698 -10.363 -0.960 1.00 44.13 C ATOM 739 C LEU A 50 -5.050 -10.618 -0.302 1.00 25.33 C ATOM 740 O LEU A 50 -6.095 -10.501 -0.941 1.00 41.14 O ATOM 741 CB LEU A 50 -2.921 -11.675 -1.082 1.00 23.01 C ATOM 742 CG LEU A 50 -1.397 -11.559 -1.037 1.00 23.32 C ATOM 743 CD1 LEU A 50 -0.752 -12.927 -1.200 1.00 74.20 C ATOM 744 CD2 LEU A 50 -0.902 -10.603 -2.112 1.00 74.14 C ATOM 0 H LEU A 50 -2.258 -9.795 0.455 1.00 14.44 H new ATOM 0 HA LEU A 50 -3.872 -9.956 -1.956 1.00 44.13 H new ATOM 0 HB2 LEU A 50 -3.239 -12.338 -0.278 1.00 23.01 H new ATOM 0 HB3 LEU A 50 -3.201 -12.154 -2.020 1.00 23.01 H new ATOM 0 HG LEU A 50 -1.112 -11.159 -0.064 1.00 23.32 H new ATOM 0 HD11 LEU A 50 0.333 -12.824 -1.165 1.00 74.20 H new ATOM 0 HD12 LEU A 50 -1.080 -13.583 -0.393 1.00 74.20 H new ATOM 0 HD13 LEU A 50 -1.045 -13.356 -2.158 1.00 74.20 H new ATOM 0 HD21 LEU A 50 0.185 -10.533 -2.064 1.00 74.14 H new ATOM 0 HD22 LEU A 50 -1.199 -10.973 -3.093 1.00 74.14 H new ATOM 0 HD23 LEU A 50 -1.336 -9.617 -1.950 1.00 74.14 H new ATOM 756 N ASP A 51 -5.021 -10.966 0.980 1.00 0.00 N ATOM 757 CA ASP A 51 -6.244 -11.235 1.727 1.00 54.32 C ATOM 758 C ASP A 51 -7.270 -10.128 1.505 1.00 14.33 C ATOM 759 O ASP A 51 -6.932 -9.040 1.041 1.00 51.45 O ATOM 760 CB ASP A 51 -5.937 -11.371 3.219 1.00 61.01 C ATOM 761 CG ASP A 51 -6.881 -12.328 3.920 1.00 54.25 C ATOM 762 OD1 ASP A 51 -7.916 -12.687 3.319 1.00 13.31 O ATOM 763 OD2 ASP A 51 -6.585 -12.719 5.068 1.00 54.52 O ATOM 0 H ASP A 51 -4.164 -11.068 1.523 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.663 -12.173 1.364 1.00 54.32 H new ATOM 0 HB2 ASP A 51 -4.912 -11.719 3.346 1.00 61.01 H new ATOM 0 HB3 ASP A 51 -6.002 -10.391 3.691 1.00 61.01 H new ATOM 768 N GLN A 52 -8.524 -10.414 1.840 1.00 33.43 N ATOM 769 CA GLN A 52 -9.599 -9.443 1.676 1.00 75.31 C ATOM 770 C GLN A 52 -9.949 -8.787 3.008 1.00 63.23 C ATOM 771 O GLN A 52 -10.094 -7.567 3.091 1.00 64.42 O ATOM 772 CB GLN A 52 -10.839 -10.118 1.086 1.00 61.12 C ATOM 773 CG GLN A 52 -11.370 -11.263 1.933 1.00 0.12 C ATOM 774 CD GLN A 52 -12.042 -12.340 1.104 1.00 4.13 C ATOM 775 OE1 GLN A 52 -12.656 -12.055 0.076 1.00 63.34 O ATOM 776 NE2 GLN A 52 -11.928 -13.586 1.548 1.00 31.24 N ATOM 0 H GLN A 52 -8.820 -11.310 2.227 1.00 33.43 H new ATOM 0 HA GLN A 52 -9.253 -8.669 0.990 1.00 75.31 H new ATOM 0 HB2 GLN A 52 -11.625 -9.373 0.964 1.00 61.12 H new ATOM 0 HB3 GLN A 52 -10.599 -10.494 0.091 1.00 61.12 H new ATOM 0 HG2 GLN A 52 -10.548 -11.704 2.497 1.00 0.12 H new ATOM 0 HG3 GLN A 52 -12.082 -10.872 2.660 1.00 0.12 H new ATOM 0 HE21 GLN A 52 -11.409 -13.776 2.405 1.00 31.24 H new ATOM 0 HE22 GLN A 52 -12.359 -14.353 1.032 1.00 31.24 H new ATOM 837 N PHE A 57 -5.286 -15.509 7.841 1.00 2.51 N ATOM 838 CA PHE A 57 -5.229 -16.700 7.003 1.00 71.25 C ATOM 839 C PHE A 57 -6.062 -16.515 5.738 1.00 73.33 C ATOM 840 O PHE A 57 -7.160 -15.960 5.781 1.00 55.11 O ATOM 841 CB PHE A 57 -5.726 -17.921 7.780 1.00 3.10 C ATOM 842 CG PHE A 57 -5.183 -18.002 9.178 1.00 31.52 C ATOM 843 CD1 PHE A 57 -3.949 -18.583 9.424 1.00 74.11 C ATOM 844 CD2 PHE A 57 -5.907 -17.499 10.247 1.00 72.01 C ATOM 845 CE1 PHE A 57 -3.447 -18.660 10.709 1.00 1.53 C ATOM 846 CE2 PHE A 57 -5.410 -17.572 11.534 1.00 23.22 C ATOM 847 CZ PHE A 57 -4.179 -18.154 11.766 1.00 63.21 C ATOM 0 HA PHE A 57 -4.191 -16.860 6.713 1.00 71.25 H new ATOM 0 HB2 PHE A 57 -6.815 -17.897 7.822 1.00 3.10 H new ATOM 0 HB3 PHE A 57 -5.448 -18.825 7.238 1.00 3.10 H new ATOM 0 HD1 PHE A 57 -3.373 -18.980 8.601 1.00 74.11 H new ATOM 0 HD2 PHE A 57 -6.871 -17.045 10.072 1.00 72.01 H new ATOM 0 HE1 PHE A 57 -2.484 -19.115 10.887 1.00 1.53 H new ATOM 0 HE2 PHE A 57 -5.984 -17.174 12.358 1.00 23.22 H new ATOM 0 HZ PHE A 57 -3.789 -18.213 12.772 1.00 63.21 H new ATOM 857 N ILE A 58 -5.532 -16.984 4.613 1.00 2.12 N ATOM 858 CA ILE A 58 -6.226 -16.871 3.337 1.00 40.05 C ATOM 859 C ILE A 58 -6.628 -18.243 2.806 1.00 2.00 C ATOM 860 O ILE A 58 -5.776 -19.044 2.423 1.00 34.51 O ATOM 861 CB ILE A 58 -5.355 -16.161 2.283 1.00 13.43 C ATOM 862 CG1 ILE A 58 -5.415 -14.644 2.479 1.00 75.33 C ATOM 863 CG2 ILE A 58 -5.808 -16.538 0.881 1.00 42.35 C ATOM 864 CD1 ILE A 58 -4.448 -13.883 1.599 1.00 13.15 C ATOM 0 H ILE A 58 -4.624 -17.446 4.560 1.00 2.12 H new ATOM 0 HA ILE A 58 -7.122 -16.277 3.517 1.00 40.05 H new ATOM 0 HB ILE A 58 -4.322 -16.484 2.409 1.00 13.43 H new ATOM 0 HG12 ILE A 58 -6.429 -14.299 2.275 1.00 75.33 H new ATOM 0 HG13 ILE A 58 -5.204 -14.412 3.523 1.00 75.33 H new ATOM 0 HG21 ILE A 58 -5.183 -16.029 0.147 1.00 42.35 H new ATOM 0 HG22 ILE A 58 -5.719 -17.616 0.747 1.00 42.35 H new ATOM 0 HG23 ILE A 58 -6.847 -16.240 0.742 1.00 42.35 H new ATOM 0 HD11 ILE A 58 -4.545 -12.814 1.791 1.00 13.15 H new ATOM 0 HD12 ILE A 58 -3.429 -14.200 1.819 1.00 13.15 H new ATOM 0 HD13 ILE A 58 -4.672 -14.085 0.552 1.00 13.15 H new ATOM 876 N GLU A 59 -7.931 -18.505 2.785 1.00 20.03 N ATOM 877 CA GLU A 59 -8.445 -19.780 2.300 1.00 34.33 C ATOM 878 C GLU A 59 -8.385 -19.847 0.777 1.00 20.50 C ATOM 879 O GLU A 59 -7.923 -18.914 0.123 1.00 45.43 O ATOM 880 CB GLU A 59 -9.885 -19.988 2.774 1.00 34.12 C ATOM 881 CG GLU A 59 -10.069 -19.789 4.269 1.00 1.13 C ATOM 882 CD GLU A 59 -11.138 -18.764 4.594 1.00 2.44 C ATOM 883 OE1 GLU A 59 -11.198 -17.729 3.897 1.00 33.21 O ATOM 884 OE2 GLU A 59 -11.913 -18.995 5.545 1.00 31.14 O ATOM 0 H GLU A 59 -8.649 -17.852 3.098 1.00 20.03 H new ATOM 0 HA GLU A 59 -7.818 -20.574 2.706 1.00 34.33 H new ATOM 0 HB2 GLU A 59 -10.537 -19.296 2.241 1.00 34.12 H new ATOM 0 HB3 GLU A 59 -10.204 -20.996 2.508 1.00 34.12 H new ATOM 0 HG2 GLU A 59 -10.333 -20.742 4.729 1.00 1.13 H new ATOM 0 HG3 GLU A 59 -9.123 -19.474 4.709 1.00 1.13 H new ATOM 891 N GLU A 60 -8.855 -20.959 0.220 1.00 32.44 N ATOM 892 CA GLU A 60 -8.853 -21.149 -1.225 1.00 52.14 C ATOM 893 C GLU A 60 -9.751 -20.122 -1.910 1.00 44.00 C ATOM 894 O GLU A 60 -9.668 -19.920 -3.121 1.00 70.51 O ATOM 895 CB GLU A 60 -9.318 -22.564 -1.577 1.00 41.33 C ATOM 896 CG GLU A 60 -9.081 -22.938 -3.031 1.00 21.34 C ATOM 897 CD GLU A 60 -10.301 -22.704 -3.900 1.00 31.01 C ATOM 898 OE1 GLU A 60 -11.331 -23.371 -3.668 1.00 12.15 O ATOM 899 OE2 GLU A 60 -10.226 -21.855 -4.812 1.00 52.31 O ATOM 0 H GLU A 60 -9.242 -21.741 0.748 1.00 32.44 H new ATOM 0 HA GLU A 60 -7.833 -21.010 -1.582 1.00 52.14 H new ATOM 0 HB2 GLU A 60 -8.799 -23.278 -0.938 1.00 41.33 H new ATOM 0 HB3 GLU A 60 -10.382 -22.653 -1.356 1.00 41.33 H new ATOM 0 HG2 GLU A 60 -8.245 -22.356 -3.420 1.00 21.34 H new ATOM 0 HG3 GLU A 60 -8.794 -23.988 -3.090 1.00 21.34 H new ATOM 906 N GLU A 61 -10.608 -19.477 -1.125 1.00 5.41 N ATOM 907 CA GLU A 61 -11.521 -18.472 -1.656 1.00 12.23 C ATOM 908 C GLU A 61 -10.764 -17.214 -2.072 1.00 73.04 C ATOM 909 O GLU A 61 -10.973 -16.685 -3.164 1.00 31.04 O ATOM 910 CB GLU A 61 -12.586 -18.118 -0.615 1.00 71.34 C ATOM 911 CG GLU A 61 -13.403 -19.312 -0.151 1.00 32.11 C ATOM 912 CD GLU A 61 -14.802 -18.926 0.290 1.00 42.11 C ATOM 913 OE1 GLU A 61 -14.923 -18.098 1.217 1.00 14.01 O ATOM 914 OE2 GLU A 61 -15.774 -19.451 -0.291 1.00 60.24 O ATOM 0 H GLU A 61 -10.689 -19.632 -0.120 1.00 5.41 H new ATOM 0 HA GLU A 61 -12.008 -18.890 -2.537 1.00 12.23 H new ATOM 0 HB2 GLU A 61 -12.101 -17.663 0.248 1.00 71.34 H new ATOM 0 HB3 GLU A 61 -13.258 -17.369 -1.035 1.00 71.34 H new ATOM 0 HG2 GLU A 61 -13.469 -20.039 -0.960 1.00 32.11 H new ATOM 0 HG3 GLU A 61 -12.888 -19.801 0.676 1.00 32.11 H new ATOM 921 N GLU A 62 -9.885 -16.741 -1.194 1.00 71.34 N ATOM 922 CA GLU A 62 -9.098 -15.545 -1.471 1.00 33.13 C ATOM 923 C GLU A 62 -7.814 -15.898 -2.216 1.00 34.51 C ATOM 924 O GLU A 62 -7.101 -15.018 -2.699 1.00 22.14 O ATOM 925 CB GLU A 62 -8.761 -14.817 -0.168 1.00 22.44 C ATOM 926 CG GLU A 62 -9.260 -13.383 -0.125 1.00 3.12 C ATOM 927 CD GLU A 62 -8.282 -12.406 -0.749 1.00 24.35 C ATOM 928 OE1 GLU A 62 -7.198 -12.849 -1.183 1.00 23.20 O ATOM 929 OE2 GLU A 62 -8.599 -11.200 -0.802 1.00 55.00 O ATOM 0 H GLU A 62 -9.700 -17.167 -0.286 1.00 71.34 H new ATOM 0 HA GLU A 62 -9.694 -14.887 -2.103 1.00 33.13 H new ATOM 0 HB2 GLU A 62 -9.192 -15.368 0.668 1.00 22.44 H new ATOM 0 HB3 GLU A 62 -7.680 -14.821 -0.029 1.00 22.44 H new ATOM 0 HG2 GLU A 62 -10.215 -13.319 -0.647 1.00 3.12 H new ATOM 0 HG3 GLU A 62 -9.443 -13.097 0.911 1.00 3.12 H new ATOM 936 N LEU A 63 -7.526 -17.192 -2.305 1.00 73.22 N ATOM 937 CA LEU A 63 -6.328 -17.664 -2.991 1.00 12.31 C ATOM 938 C LEU A 63 -6.492 -17.563 -4.504 1.00 63.21 C ATOM 939 O LEU A 63 -5.524 -17.330 -5.228 1.00 11.52 O ATOM 940 CB LEU A 63 -6.025 -19.110 -2.594 1.00 53.42 C ATOM 941 CG LEU A 63 -4.546 -19.469 -2.445 1.00 75.14 C ATOM 942 CD1 LEU A 63 -3.927 -18.709 -1.283 1.00 22.53 C ATOM 943 CD2 LEU A 63 -4.379 -20.969 -2.254 1.00 61.54 C ATOM 0 H LEU A 63 -8.106 -17.933 -1.911 1.00 73.22 H new ATOM 0 HA LEU A 63 -5.494 -17.030 -2.691 1.00 12.31 H new ATOM 0 HB2 LEU A 63 -6.526 -19.319 -1.649 1.00 53.42 H new ATOM 0 HB3 LEU A 63 -6.465 -19.771 -3.341 1.00 53.42 H new ATOM 0 HG LEU A 63 -4.027 -19.179 -3.359 1.00 75.14 H new ATOM 0 HD11 LEU A 63 -2.874 -18.977 -1.192 1.00 22.53 H new ATOM 0 HD12 LEU A 63 -4.014 -17.637 -1.461 1.00 22.53 H new ATOM 0 HD13 LEU A 63 -4.448 -18.967 -0.361 1.00 22.53 H new ATOM 0 HD21 LEU A 63 -3.320 -21.207 -2.150 1.00 61.54 H new ATOM 0 HD22 LEU A 63 -4.912 -21.283 -1.356 1.00 61.54 H new ATOM 0 HD23 LEU A 63 -4.785 -21.493 -3.119 1.00 61.54 H new ATOM 955 N GLN A 64 -7.722 -17.739 -4.974 1.00 74.31 N ATOM 956 CA GLN A 64 -8.012 -17.667 -6.401 1.00 52.23 C ATOM 957 C GLN A 64 -7.815 -16.248 -6.925 1.00 72.14 C ATOM 958 O GLN A 64 -7.897 -16.003 -8.130 1.00 13.23 O ATOM 959 CB GLN A 64 -9.443 -18.131 -6.677 1.00 15.22 C ATOM 960 CG GLN A 64 -10.493 -17.071 -6.386 1.00 54.51 C ATOM 961 CD GLN A 64 -11.904 -17.559 -6.648 1.00 34.21 C ATOM 962 OE1 GLN A 64 -12.775 -17.469 -5.782 1.00 55.03 O ATOM 963 NE2 GLN A 64 -12.138 -18.081 -7.847 1.00 2.44 N ATOM 0 H GLN A 64 -8.534 -17.932 -4.388 1.00 74.31 H new ATOM 0 HA GLN A 64 -7.318 -18.327 -6.921 1.00 52.23 H new ATOM 0 HB2 GLN A 64 -9.523 -18.433 -7.721 1.00 15.22 H new ATOM 0 HB3 GLN A 64 -9.653 -19.014 -6.073 1.00 15.22 H new ATOM 0 HG2 GLN A 64 -10.409 -16.758 -5.345 1.00 54.51 H new ATOM 0 HG3 GLN A 64 -10.297 -16.192 -7.000 1.00 54.51 H new ATOM 0 HE21 GLN A 64 -11.387 -18.136 -8.535 1.00 2.44 H new ATOM 0 HE22 GLN A 64 -13.069 -18.427 -8.080 1.00 2.44 H new ATOM 972 N LEU A 65 -7.555 -15.317 -6.014 1.00 74.02 N ATOM 973 CA LEU A 65 -7.347 -13.921 -6.384 1.00 62.43 C ATOM 974 C LEU A 65 -5.865 -13.564 -6.346 1.00 5.41 C ATOM 975 O LEU A 65 -5.499 -12.388 -6.325 1.00 33.14 O ATOM 976 CB LEU A 65 -8.130 -13.002 -5.445 1.00 44.24 C ATOM 977 CG LEU A 65 -9.473 -13.537 -4.947 1.00 65.13 C ATOM 978 CD1 LEU A 65 -10.019 -12.656 -3.835 1.00 2.04 C ATOM 979 CD2 LEU A 65 -10.468 -13.630 -6.094 1.00 53.43 C ATOM 0 H LEU A 65 -7.483 -15.503 -5.014 1.00 74.02 H new ATOM 0 HA LEU A 65 -7.709 -13.782 -7.403 1.00 62.43 H new ATOM 0 HB2 LEU A 65 -7.505 -12.783 -4.579 1.00 44.24 H new ATOM 0 HB3 LEU A 65 -8.306 -12.057 -5.958 1.00 44.24 H new ATOM 0 HG LEU A 65 -9.317 -14.538 -4.546 1.00 65.13 H new ATOM 0 HD11 LEU A 65 -10.975 -13.052 -3.493 1.00 2.04 H new ATOM 0 HD12 LEU A 65 -9.314 -12.641 -3.004 1.00 2.04 H new ATOM 0 HD13 LEU A 65 -10.160 -11.642 -4.210 1.00 2.04 H new ATOM 0 HD21 LEU A 65 -11.418 -14.013 -5.721 1.00 53.43 H new ATOM 0 HD22 LEU A 65 -10.619 -12.641 -6.525 1.00 53.43 H new ATOM 0 HD23 LEU A 65 -10.080 -14.304 -6.858 1.00 53.43 H new ATOM 991 N PHE A 66 -5.015 -14.585 -6.339 1.00 65.15 N ATOM 992 CA PHE A 66 -3.571 -14.379 -6.305 1.00 54.42 C ATOM 993 C PHE A 66 -3.090 -13.693 -7.581 1.00 24.25 C ATOM 994 O PHE A 66 -2.017 -13.088 -7.607 1.00 12.24 O ATOM 995 CB PHE A 66 -2.848 -15.715 -6.126 1.00 43.14 C ATOM 996 CG PHE A 66 -1.352 -15.584 -6.074 1.00 33.41 C ATOM 997 CD1 PHE A 66 -0.711 -15.282 -4.883 1.00 55.34 C ATOM 998 CD2 PHE A 66 -0.588 -15.764 -7.215 1.00 44.13 C ATOM 999 CE1 PHE A 66 0.665 -15.161 -4.831 1.00 75.35 C ATOM 1000 CE2 PHE A 66 0.789 -15.645 -7.169 1.00 74.24 C ATOM 1001 CZ PHE A 66 1.415 -15.342 -5.976 1.00 64.34 C ATOM 0 H PHE A 66 -5.301 -15.564 -6.356 1.00 65.15 H new ATOM 0 HA PHE A 66 -3.340 -13.734 -5.457 1.00 54.42 H new ATOM 0 HB2 PHE A 66 -3.196 -16.187 -5.207 1.00 43.14 H new ATOM 0 HB3 PHE A 66 -3.118 -16.379 -6.947 1.00 43.14 H new ATOM 0 HD1 PHE A 66 -1.293 -15.139 -3.985 1.00 55.34 H new ATOM 0 HD2 PHE A 66 -1.073 -16.000 -8.151 1.00 44.13 H new ATOM 0 HE1 PHE A 66 1.152 -14.925 -3.897 1.00 75.35 H new ATOM 0 HE2 PHE A 66 1.374 -15.789 -8.065 1.00 74.24 H new ATOM 0 HZ PHE A 66 2.490 -15.247 -5.939 1.00 64.34 H new ATOM 1011 N LEU A 67 -3.889 -13.793 -8.637 1.00 30.13 N ATOM 1012 CA LEU A 67 -3.545 -13.184 -9.917 1.00 14.32 C ATOM 1013 C LEU A 67 -4.054 -11.748 -9.990 1.00 54.43 C ATOM 1014 O LEU A 67 -3.873 -11.064 -10.998 1.00 54.11 O ATOM 1015 CB LEU A 67 -4.130 -14.004 -11.068 1.00 15.31 C ATOM 1016 CG LEU A 67 -3.291 -15.192 -11.540 1.00 53.52 C ATOM 1017 CD1 LEU A 67 -4.071 -16.033 -12.539 1.00 11.33 C ATOM 1018 CD2 LEU A 67 -1.983 -14.711 -12.152 1.00 13.23 C ATOM 0 H LEU A 67 -4.780 -14.290 -8.632 1.00 30.13 H new ATOM 0 HA LEU A 67 -2.459 -13.170 -10.005 1.00 14.32 H new ATOM 0 HB2 LEU A 67 -5.109 -14.374 -10.763 1.00 15.31 H new ATOM 0 HB3 LEU A 67 -4.291 -13.339 -11.916 1.00 15.31 H new ATOM 0 HG LEU A 67 -3.058 -15.814 -10.676 1.00 53.52 H new ATOM 0 HD11 LEU A 67 -3.458 -16.874 -12.864 1.00 11.33 H new ATOM 0 HD12 LEU A 67 -4.980 -16.407 -12.068 1.00 11.33 H new ATOM 0 HD13 LEU A 67 -4.335 -15.422 -13.402 1.00 11.33 H new ATOM 0 HD21 LEU A 67 -1.398 -15.570 -12.482 1.00 13.23 H new ATOM 0 HD22 LEU A 67 -2.196 -14.067 -13.005 1.00 13.23 H new ATOM 0 HD23 LEU A 67 -1.417 -14.152 -11.407 1.00 13.23 H new ATOM 1030 N LYS A 68 -4.690 -11.295 -8.915 1.00 73.10 N ATOM 1031 CA LYS A 68 -5.223 -9.939 -8.855 1.00 21.13 C ATOM 1032 C LYS A 68 -4.244 -9.001 -8.156 1.00 13.22 C ATOM 1033 O LYS A 68 -4.339 -7.781 -8.286 1.00 71.21 O ATOM 1034 CB LYS A 68 -6.567 -9.929 -8.122 1.00 63.15 C ATOM 1035 CG LYS A 68 -7.550 -10.964 -8.642 1.00 11.40 C ATOM 1036 CD LYS A 68 -8.026 -10.626 -10.045 1.00 2.40 C ATOM 1037 CE LYS A 68 -9.530 -10.403 -10.085 1.00 61.11 C ATOM 1038 NZ LYS A 68 -9.877 -8.955 -10.085 1.00 44.11 N ATOM 0 H LYS A 68 -4.849 -11.848 -8.073 1.00 73.10 H new ATOM 0 HA LYS A 68 -5.370 -9.587 -9.876 1.00 21.13 H new ATOM 0 HB2 LYS A 68 -6.394 -10.105 -7.060 1.00 63.15 H new ATOM 0 HB3 LYS A 68 -7.013 -8.939 -8.212 1.00 63.15 H new ATOM 0 HG2 LYS A 68 -7.078 -11.947 -8.644 1.00 11.40 H new ATOM 0 HG3 LYS A 68 -8.407 -11.023 -7.971 1.00 11.40 H new ATOM 0 HD2 LYS A 68 -7.515 -9.730 -10.398 1.00 2.40 H new ATOM 0 HD3 LYS A 68 -7.759 -11.434 -10.726 1.00 2.40 H new ATOM 0 HE2 LYS A 68 -9.943 -10.875 -10.976 1.00 61.11 H new ATOM 0 HE3 LYS A 68 -9.992 -10.887 -9.224 1.00 61.11 H new ATOM 0 HZ1 LYS A 68 -10.911 -8.846 -10.113 1.00 44.11 H new ATOM 0 HZ2 LYS A 68 -9.505 -8.509 -9.222 1.00 44.11 H new ATOM 0 HZ3 LYS A 68 -9.458 -8.498 -10.920 1.00 44.11 H new ATOM 1052 N ASN A 69 -3.304 -9.578 -7.415 1.00 62.44 N ATOM 1053 CA ASN A 69 -2.307 -8.793 -6.697 1.00 1.01 C ATOM 1054 C ASN A 69 -1.141 -8.427 -7.610 1.00 63.52 C ATOM 1055 O ASN A 69 -0.407 -7.475 -7.347 1.00 1.41 O ATOM 1056 CB ASN A 69 -1.794 -9.569 -5.482 1.00 72.43 C ATOM 1057 CG ASN A 69 -2.831 -10.529 -4.930 1.00 5.12 C ATOM 1058 OD1 ASN A 69 -2.562 -11.718 -4.758 1.00 13.04 O ATOM 1059 ND2 ASN A 69 -4.022 -10.015 -4.649 1.00 54.15 N ATOM 0 H ASN A 69 -3.212 -10.587 -7.296 1.00 62.44 H new ATOM 0 HA ASN A 69 -2.782 -7.873 -6.358 1.00 1.01 H new ATOM 0 HB2 ASN A 69 -0.899 -10.126 -5.761 1.00 72.43 H new ATOM 0 HB3 ASN A 69 -1.502 -8.866 -4.702 1.00 72.43 H new ATOM 0 HD21 ASN A 69 -4.759 -10.612 -4.274 1.00 54.15 H new ATOM 0 HD22 ASN A 69 -4.200 -9.023 -4.808 1.00 54.15 H new ATOM 1066 N PHE A 70 -0.976 -9.191 -8.685 1.00 73.31 N ATOM 1067 CA PHE A 70 0.101 -8.949 -9.638 1.00 13.31 C ATOM 1068 C PHE A 70 -0.447 -8.387 -10.947 1.00 33.13 C ATOM 1069 O PHE A 70 0.010 -7.351 -11.430 1.00 35.23 O ATOM 1070 CB PHE A 70 0.872 -10.242 -9.908 1.00 62.02 C ATOM 1071 CG PHE A 70 1.526 -10.817 -8.684 1.00 72.02 C ATOM 1072 CD1 PHE A 70 0.775 -11.489 -7.733 1.00 63.51 C ATOM 1073 CD2 PHE A 70 2.891 -10.686 -8.485 1.00 14.41 C ATOM 1074 CE1 PHE A 70 1.374 -12.019 -6.606 1.00 3.24 C ATOM 1075 CE2 PHE A 70 3.495 -11.213 -7.359 1.00 62.34 C ATOM 1076 CZ PHE A 70 2.736 -11.882 -6.419 1.00 50.41 C ATOM 0 H PHE A 70 -1.575 -9.983 -8.918 1.00 73.31 H new ATOM 0 HA PHE A 70 0.779 -8.214 -9.203 1.00 13.31 H new ATOM 0 HB2 PHE A 70 0.190 -10.982 -10.327 1.00 62.02 H new ATOM 0 HB3 PHE A 70 1.636 -10.050 -10.662 1.00 62.02 H new ATOM 0 HD1 PHE A 70 -0.290 -11.600 -7.874 1.00 63.51 H new ATOM 0 HD2 PHE A 70 3.490 -10.166 -9.218 1.00 14.41 H new ATOM 0 HE1 PHE A 70 0.778 -12.540 -5.872 1.00 3.24 H new ATOM 0 HE2 PHE A 70 4.559 -11.102 -7.214 1.00 62.34 H new ATOM 0 HZ PHE A 70 3.206 -12.297 -5.540 1.00 50.41 H new ATOM 1086 N SER A 71 -1.429 -9.079 -11.516 1.00 31.44 N ATOM 1087 CA SER A 71 -2.037 -8.653 -12.771 1.00 31.34 C ATOM 1088 C SER A 71 -3.474 -8.190 -12.549 1.00 23.15 C ATOM 1089 O SER A 71 -4.096 -8.522 -11.540 1.00 22.34 O ATOM 1090 CB SER A 71 -2.009 -9.795 -13.789 1.00 0.22 C ATOM 1091 OG SER A 71 -2.830 -10.872 -13.370 1.00 45.35 O ATOM 0 H SER A 71 -1.820 -9.937 -11.128 1.00 31.44 H new ATOM 0 HA SER A 71 -1.459 -7.814 -13.160 1.00 31.34 H new ATOM 0 HB2 SER A 71 -2.349 -9.431 -14.759 1.00 0.22 H new ATOM 0 HB3 SER A 71 -0.985 -10.144 -13.921 1.00 0.22 H new ATOM 0 HG SER A 71 -3.027 -10.781 -12.414 1.00 45.35 H new ATOM 1097 N SER A 72 -3.994 -7.420 -13.499 1.00 33.30 N ATOM 1098 CA SER A 72 -5.356 -6.907 -13.407 1.00 31.43 C ATOM 1099 C SER A 72 -6.215 -7.439 -14.550 1.00 14.40 C ATOM 1100 O SER A 72 -7.303 -6.925 -14.814 1.00 65.45 O ATOM 1101 CB SER A 72 -5.350 -5.378 -13.427 1.00 1.44 C ATOM 1102 OG SER A 72 -4.340 -4.861 -12.578 1.00 4.30 O ATOM 0 H SER A 72 -3.493 -7.138 -14.341 1.00 33.30 H new ATOM 0 HA SER A 72 -5.784 -7.249 -12.465 1.00 31.43 H new ATOM 0 HB2 SER A 72 -5.189 -5.025 -14.446 1.00 1.44 H new ATOM 0 HB3 SER A 72 -6.323 -5.003 -13.110 1.00 1.44 H new ATOM 0 HG SER A 72 -4.356 -3.882 -12.610 1.00 4.30 H new ATOM 1108 N SER A 73 -5.719 -8.471 -15.225 1.00 10.42 N ATOM 1109 CA SER A 73 -6.438 -9.070 -16.343 1.00 33.35 C ATOM 1110 C SER A 73 -6.871 -10.495 -16.009 1.00 13.45 C ATOM 1111 O SER A 73 -7.969 -10.921 -16.365 1.00 52.01 O ATOM 1112 CB SER A 73 -5.563 -9.072 -17.597 1.00 72.25 C ATOM 1113 OG SER A 73 -6.316 -9.430 -18.743 1.00 61.35 O ATOM 0 H SER A 73 -4.822 -8.910 -15.017 1.00 10.42 H new ATOM 0 HA SER A 73 -7.330 -8.472 -16.532 1.00 33.35 H new ATOM 0 HB2 SER A 73 -5.124 -8.084 -17.740 1.00 72.25 H new ATOM 0 HB3 SER A 73 -4.737 -9.772 -17.467 1.00 72.25 H new ATOM 0 HG SER A 73 -5.735 -9.423 -19.532 1.00 61.35 H new ATOM 1119 N ALA A 74 -6.000 -11.225 -15.321 1.00 64.54 N ATOM 1120 CA ALA A 74 -6.291 -12.601 -14.937 1.00 13.11 C ATOM 1121 C ALA A 74 -7.431 -12.658 -13.925 1.00 70.24 C ATOM 1122 O ALA A 74 -7.263 -12.284 -12.765 1.00 1.52 O ATOM 1123 CB ALA A 74 -5.046 -13.266 -14.370 1.00 2.23 C ATOM 0 H ALA A 74 -5.087 -10.887 -15.018 1.00 64.54 H new ATOM 0 HA ALA A 74 -6.604 -13.143 -15.830 1.00 13.11 H new ATOM 0 HB1 ALA A 74 -5.279 -14.293 -14.088 1.00 2.23 H new ATOM 0 HB2 ALA A 74 -4.258 -13.266 -15.124 1.00 2.23 H new ATOM 0 HB3 ALA A 74 -4.708 -12.716 -13.492 1.00 2.23 H new ATOM 1129 N ARG A 75 -8.590 -13.129 -14.373 1.00 54.43 N ATOM 1130 CA ARG A 75 -9.759 -13.233 -13.507 1.00 44.22 C ATOM 1131 C ARG A 75 -9.381 -13.828 -12.154 1.00 4.11 C ATOM 1132 O ARG A 75 -9.267 -13.112 -11.159 1.00 13.12 O ATOM 1133 CB ARG A 75 -10.837 -14.091 -14.171 1.00 21.44 C ATOM 1134 CG ARG A 75 -10.283 -15.130 -15.132 1.00 45.11 C ATOM 1135 CD ARG A 75 -11.128 -16.394 -15.135 1.00 51.33 C ATOM 1136 NE ARG A 75 -10.708 -17.331 -16.174 1.00 11.32 N ATOM 1137 CZ ARG A 75 -9.638 -18.111 -16.071 1.00 1.33 C ATOM 1138 NH1 ARG A 75 -8.884 -18.066 -14.981 1.00 63.51 N ATOM 1139 NH2 ARG A 75 -9.320 -18.938 -17.059 1.00 14.34 N ATOM 0 H ARG A 75 -8.745 -13.445 -15.330 1.00 54.43 H new ATOM 0 HA ARG A 75 -10.152 -12.229 -13.346 1.00 44.22 H new ATOM 0 HB2 ARG A 75 -11.415 -14.596 -13.397 1.00 21.44 H new ATOM 0 HB3 ARG A 75 -11.526 -13.441 -14.710 1.00 21.44 H new ATOM 0 HG2 ARG A 75 -10.247 -14.713 -16.139 1.00 45.11 H new ATOM 0 HG3 ARG A 75 -9.259 -15.377 -14.852 1.00 45.11 H new ATOM 0 HD2 ARG A 75 -11.059 -16.878 -14.161 1.00 51.33 H new ATOM 0 HD3 ARG A 75 -12.175 -16.130 -15.287 1.00 51.33 H new ATOM 0 HE ARG A 75 -11.267 -17.389 -17.025 1.00 11.32 H new ATOM 0 HH11 ARG A 75 -9.125 -17.432 -14.220 1.00 63.51 H new ATOM 0 HH12 ARG A 75 -8.063 -18.666 -14.904 1.00 63.51 H new ATOM 0 HH21 ARG A 75 -9.898 -18.975 -17.899 1.00 14.34 H new ATOM 0 HH22 ARG A 75 -8.498 -19.536 -16.979 1.00 14.34 H new ATOM 1153 N VAL A 76 -9.187 -15.143 -12.125 1.00 12.35 N ATOM 1154 CA VAL A 76 -8.822 -15.834 -10.894 1.00 65.32 C ATOM 1155 C VAL A 76 -8.090 -17.138 -11.193 1.00 41.03 C ATOM 1156 O VAL A 76 -8.161 -17.662 -12.306 1.00 10.41 O ATOM 1157 CB VAL A 76 -10.061 -16.140 -10.033 1.00 31.14 C ATOM 1158 CG1 VAL A 76 -10.510 -14.896 -9.282 1.00 3.34 C ATOM 1159 CG2 VAL A 76 -11.188 -16.687 -10.896 1.00 2.01 C ATOM 0 H VAL A 76 -9.276 -15.751 -12.939 1.00 12.35 H new ATOM 0 HA VAL A 76 -8.161 -15.167 -10.341 1.00 65.32 H new ATOM 0 HB VAL A 76 -9.793 -16.901 -9.300 1.00 31.14 H new ATOM 0 HG11 VAL A 76 -11.387 -15.132 -8.679 1.00 3.34 H new ATOM 0 HG12 VAL A 76 -9.705 -14.552 -8.633 1.00 3.34 H new ATOM 0 HG13 VAL A 76 -10.761 -14.111 -9.995 1.00 3.34 H new ATOM 0 HG21 VAL A 76 -12.056 -16.898 -10.271 1.00 2.01 H new ATOM 0 HG22 VAL A 76 -11.457 -15.951 -11.653 1.00 2.01 H new ATOM 0 HG23 VAL A 76 -10.860 -17.605 -11.383 1.00 2.01 H new ATOM 1169 N LEU A 77 -7.387 -17.658 -10.193 1.00 70.23 N ATOM 1170 CA LEU A 77 -6.642 -18.903 -10.348 1.00 44.42 C ATOM 1171 C LEU A 77 -7.529 -20.000 -10.926 1.00 63.44 C ATOM 1172 O LEU A 77 -8.753 -19.871 -10.961 1.00 30.54 O ATOM 1173 CB LEU A 77 -6.071 -19.349 -9.001 1.00 64.12 C ATOM 1174 CG LEU A 77 -5.150 -18.351 -8.298 1.00 14.40 C ATOM 1175 CD1 LEU A 77 -4.323 -19.048 -7.230 1.00 24.11 C ATOM 1176 CD2 LEU A 77 -4.247 -17.656 -9.307 1.00 20.14 C ATOM 0 H LEU A 77 -7.317 -17.237 -9.266 1.00 70.23 H new ATOM 0 HA LEU A 77 -5.821 -18.723 -11.042 1.00 44.42 H new ATOM 0 HB2 LEU A 77 -6.903 -19.577 -8.334 1.00 64.12 H new ATOM 0 HB3 LEU A 77 -5.520 -20.277 -9.152 1.00 64.12 H new ATOM 0 HG LEU A 77 -5.768 -17.595 -7.813 1.00 14.40 H new ATOM 0 HD11 LEU A 77 -3.674 -18.322 -6.741 1.00 24.11 H new ATOM 0 HD12 LEU A 77 -4.987 -19.497 -6.491 1.00 24.11 H new ATOM 0 HD13 LEU A 77 -3.714 -19.826 -7.691 1.00 24.11 H new ATOM 0 HD21 LEU A 77 -3.599 -16.949 -8.789 1.00 20.14 H new ATOM 0 HD22 LEU A 77 -3.637 -18.399 -9.821 1.00 20.14 H new ATOM 0 HD23 LEU A 77 -4.858 -17.122 -10.034 1.00 20.14 H new ATOM 1188 N THR A 78 -6.903 -21.083 -11.379 1.00 12.21 N ATOM 1189 CA THR A 78 -7.635 -22.204 -11.955 1.00 12.15 C ATOM 1190 C THR A 78 -7.270 -23.512 -11.262 1.00 73.25 C ATOM 1191 O THR A 78 -6.614 -23.513 -10.221 1.00 42.43 O ATOM 1192 CB THR A 78 -7.358 -22.340 -13.464 1.00 34.03 C ATOM 1193 OG1 THR A 78 -8.347 -23.180 -14.069 1.00 54.04 O ATOM 1194 CG2 THR A 78 -5.974 -22.920 -13.710 1.00 3.13 C ATOM 0 H THR A 78 -5.891 -21.207 -11.358 1.00 12.21 H new ATOM 0 HA THR A 78 -8.695 -22.000 -11.805 1.00 12.15 H new ATOM 0 HB THR A 78 -7.403 -21.347 -13.910 1.00 34.03 H new ATOM 0 HG1 THR A 78 -8.165 -23.260 -15.029 1.00 54.04 H new ATOM 0 HG21 THR A 78 -5.801 -23.007 -14.783 1.00 3.13 H new ATOM 0 HG22 THR A 78 -5.221 -22.264 -13.273 1.00 3.13 H new ATOM 0 HG23 THR A 78 -5.906 -23.906 -13.251 1.00 3.13 H new ATOM 1202 N SER A 79 -7.700 -24.626 -11.848 1.00 4.31 N ATOM 1203 CA SER A 79 -7.420 -25.942 -11.285 1.00 53.31 C ATOM 1204 C SER A 79 -5.968 -26.340 -11.531 1.00 32.45 C ATOM 1205 O SER A 79 -5.691 -27.347 -12.182 1.00 31.13 O ATOM 1206 CB SER A 79 -8.358 -26.988 -11.891 1.00 23.12 C ATOM 1207 OG SER A 79 -8.169 -27.092 -13.291 1.00 53.35 O ATOM 0 H SER A 79 -8.243 -24.643 -12.711 1.00 4.31 H new ATOM 0 HA SER A 79 -7.587 -25.894 -10.209 1.00 53.31 H new ATOM 0 HB2 SER A 79 -8.178 -27.956 -11.424 1.00 23.12 H new ATOM 0 HB3 SER A 79 -9.393 -26.719 -11.680 1.00 23.12 H new ATOM 0 HG SER A 79 -7.251 -27.381 -13.477 1.00 53.35 H new ATOM 1213 N ALA A 80 -5.045 -25.542 -11.004 1.00 30.51 N ATOM 1214 CA ALA A 80 -3.621 -25.812 -11.163 1.00 55.03 C ATOM 1215 C ALA A 80 -2.780 -24.747 -10.469 1.00 1.50 C ATOM 1216 O ALA A 80 -1.728 -25.045 -9.904 1.00 14.22 O ATOM 1217 CB ALA A 80 -3.262 -25.892 -12.639 1.00 64.54 C ATOM 0 H ALA A 80 -5.258 -24.704 -10.463 1.00 30.51 H new ATOM 0 HA ALA A 80 -3.403 -26.772 -10.694 1.00 55.03 H new ATOM 0 HB1 ALA A 80 -2.196 -26.094 -12.744 1.00 64.54 H new ATOM 0 HB2 ALA A 80 -3.831 -26.694 -13.109 1.00 64.54 H new ATOM 0 HB3 ALA A 80 -3.501 -24.945 -13.123 1.00 64.54 H new ATOM 1223 N GLU A 81 -3.250 -23.504 -10.517 1.00 2.15 N ATOM 1224 CA GLU A 81 -2.538 -22.394 -9.893 1.00 32.53 C ATOM 1225 C GLU A 81 -2.854 -22.315 -8.402 1.00 22.22 C ATOM 1226 O GLU A 81 -1.955 -22.179 -7.571 1.00 10.20 O ATOM 1227 CB GLU A 81 -2.907 -21.075 -10.574 1.00 73.12 C ATOM 1228 CG GLU A 81 -2.422 -20.975 -12.011 1.00 31.44 C ATOM 1229 CD GLU A 81 -2.290 -19.541 -12.483 1.00 50.35 C ATOM 1230 OE1 GLU A 81 -1.829 -18.694 -11.690 1.00 43.02 O ATOM 1231 OE2 GLU A 81 -2.648 -19.265 -13.648 1.00 32.22 O ATOM 0 H GLU A 81 -4.119 -23.241 -10.981 1.00 2.15 H new ATOM 0 HA GLU A 81 -1.469 -22.569 -10.012 1.00 32.53 H new ATOM 0 HB2 GLU A 81 -3.990 -20.957 -10.556 1.00 73.12 H new ATOM 0 HB3 GLU A 81 -2.487 -20.249 -9.999 1.00 73.12 H new ATOM 0 HG2 GLU A 81 -1.457 -21.473 -12.100 1.00 31.44 H new ATOM 0 HG3 GLU A 81 -3.116 -21.506 -12.663 1.00 31.44 H new ATOM 1238 N THR A 82 -4.138 -22.401 -8.069 1.00 72.23 N ATOM 1239 CA THR A 82 -4.574 -22.338 -6.680 1.00 41.40 C ATOM 1240 C THR A 82 -4.133 -23.576 -5.908 1.00 72.24 C ATOM 1241 O THR A 82 -3.773 -23.493 -4.734 1.00 63.40 O ATOM 1242 CB THR A 82 -6.105 -22.200 -6.577 1.00 64.11 C ATOM 1243 OG1 THR A 82 -6.651 -21.844 -7.852 1.00 13.44 O ATOM 1244 CG2 THR A 82 -6.485 -21.150 -5.545 1.00 14.14 C ATOM 0 H THR A 82 -4.895 -22.515 -8.743 1.00 72.23 H new ATOM 0 HA THR A 82 -4.107 -21.456 -6.242 1.00 41.40 H new ATOM 0 HB THR A 82 -6.515 -23.160 -6.262 1.00 64.11 H new ATOM 0 HG1 THR A 82 -7.625 -21.760 -7.779 1.00 13.44 H new ATOM 0 HG21 THR A 82 -7.571 -21.070 -5.490 1.00 14.14 H new ATOM 0 HG22 THR A 82 -6.092 -21.439 -4.570 1.00 14.14 H new ATOM 0 HG23 THR A 82 -6.065 -20.187 -5.834 1.00 14.14 H new ATOM 1252 N LYS A 83 -4.164 -24.725 -6.575 1.00 42.13 N ATOM 1253 CA LYS A 83 -3.766 -25.982 -5.953 1.00 65.13 C ATOM 1254 C LYS A 83 -2.256 -26.030 -5.742 1.00 64.52 C ATOM 1255 O LYS A 83 -1.781 -26.391 -4.666 1.00 33.24 O ATOM 1256 CB LYS A 83 -4.209 -27.165 -6.817 1.00 65.12 C ATOM 1257 CG LYS A 83 -5.711 -27.237 -7.025 1.00 73.15 C ATOM 1258 CD LYS A 83 -6.413 -27.838 -5.819 1.00 73.34 C ATOM 1259 CE LYS A 83 -7.916 -27.609 -5.878 1.00 21.53 C ATOM 1260 NZ LYS A 83 -8.651 -28.511 -4.948 1.00 23.21 N ATOM 0 H LYS A 83 -4.461 -24.811 -7.547 1.00 42.13 H new ATOM 0 HA LYS A 83 -4.253 -26.048 -4.980 1.00 65.13 H new ATOM 0 HB2 LYS A 83 -3.719 -27.098 -7.788 1.00 65.12 H new ATOM 0 HB3 LYS A 83 -3.870 -28.091 -6.352 1.00 65.12 H new ATOM 0 HG2 LYS A 83 -6.101 -26.237 -7.213 1.00 73.15 H new ATOM 0 HG3 LYS A 83 -5.928 -27.836 -7.909 1.00 73.15 H new ATOM 0 HD2 LYS A 83 -6.208 -28.908 -5.773 1.00 73.34 H new ATOM 0 HD3 LYS A 83 -6.012 -27.397 -4.906 1.00 73.34 H new ATOM 0 HE2 LYS A 83 -8.135 -26.571 -5.627 1.00 21.53 H new ATOM 0 HE3 LYS A 83 -8.269 -27.772 -6.896 1.00 21.53 H new ATOM 0 HZ1 LYS A 83 -9.672 -28.324 -5.018 1.00 23.21 H new ATOM 0 HZ2 LYS A 83 -8.462 -29.501 -5.203 1.00 23.21 H new ATOM 0 HZ3 LYS A 83 -8.333 -28.338 -3.973 1.00 23.21 H new ATOM 1274 N ALA A 84 -1.506 -25.663 -6.777 1.00 31.45 N ATOM 1275 CA ALA A 84 -0.050 -25.662 -6.702 1.00 54.35 C ATOM 1276 C ALA A 84 0.450 -24.577 -5.755 1.00 11.22 C ATOM 1277 O ALA A 84 1.640 -24.509 -5.446 1.00 13.32 O ATOM 1278 CB ALA A 84 0.548 -25.472 -8.088 1.00 43.23 C ATOM 0 H ALA A 84 -1.883 -25.363 -7.676 1.00 31.45 H new ATOM 0 HA ALA A 84 0.270 -26.627 -6.308 1.00 54.35 H new ATOM 0 HB1 ALA A 84 1.636 -25.473 -8.018 1.00 43.23 H new ATOM 0 HB2 ALA A 84 0.225 -26.285 -8.738 1.00 43.23 H new ATOM 0 HB3 ALA A 84 0.212 -24.521 -8.502 1.00 43.23 H new ATOM 1284 N PHE A 85 -0.466 -23.729 -5.297 1.00 23.41 N ATOM 1285 CA PHE A 85 -0.117 -22.646 -4.385 1.00 63.03 C ATOM 1286 C PHE A 85 -0.595 -22.951 -2.969 1.00 74.50 C ATOM 1287 O PHE A 85 0.144 -22.776 -2.000 1.00 24.41 O ATOM 1288 CB PHE A 85 -0.726 -21.328 -4.869 1.00 21.34 C ATOM 1289 CG PHE A 85 -0.238 -20.128 -4.109 1.00 30.02 C ATOM 1290 CD1 PHE A 85 0.888 -19.437 -4.527 1.00 71.42 C ATOM 1291 CD2 PHE A 85 -0.905 -19.691 -2.976 1.00 11.32 C ATOM 1292 CE1 PHE A 85 1.339 -18.332 -3.831 1.00 24.35 C ATOM 1293 CE2 PHE A 85 -0.459 -18.586 -2.275 1.00 64.14 C ATOM 1294 CZ PHE A 85 0.666 -17.907 -2.702 1.00 53.25 C ATOM 0 H PHE A 85 -1.455 -23.771 -5.543 1.00 23.41 H new ATOM 0 HA PHE A 85 0.969 -22.553 -4.370 1.00 63.03 H new ATOM 0 HB2 PHE A 85 -0.496 -21.197 -5.926 1.00 21.34 H new ATOM 0 HB3 PHE A 85 -1.811 -21.385 -4.784 1.00 21.34 H new ATOM 0 HD1 PHE A 85 1.420 -19.766 -5.408 1.00 71.42 H new ATOM 0 HD2 PHE A 85 -1.783 -20.220 -2.637 1.00 11.32 H new ATOM 0 HE1 PHE A 85 2.217 -17.801 -4.169 1.00 24.35 H new ATOM 0 HE2 PHE A 85 -0.989 -18.254 -1.395 1.00 64.14 H new ATOM 0 HZ PHE A 85 1.019 -17.046 -2.154 1.00 53.25 H new ATOM 1304 N LEU A 86 -1.838 -23.408 -2.857 1.00 23.53 N ATOM 1305 CA LEU A 86 -2.417 -23.738 -1.559 1.00 72.42 C ATOM 1306 C LEU A 86 -1.742 -24.967 -0.958 1.00 1.23 C ATOM 1307 O LEU A 86 -1.281 -24.938 0.183 1.00 44.43 O ATOM 1308 CB LEU A 86 -3.920 -23.985 -1.698 1.00 34.31 C ATOM 1309 CG LEU A 86 -4.776 -23.619 -0.484 1.00 44.24 C ATOM 1310 CD1 LEU A 86 -6.199 -23.297 -0.912 1.00 40.31 C ATOM 1311 CD2 LEU A 86 -4.766 -24.748 0.536 1.00 62.15 C ATOM 0 H LEU A 86 -2.464 -23.558 -3.649 1.00 23.53 H new ATOM 0 HA LEU A 86 -2.253 -22.893 -0.890 1.00 72.42 H new ATOM 0 HB2 LEU A 86 -4.283 -23.420 -2.557 1.00 34.31 H new ATOM 0 HB3 LEU A 86 -4.075 -25.040 -1.922 1.00 34.31 H new ATOM 0 HG LEU A 86 -4.349 -22.731 -0.017 1.00 44.24 H new ATOM 0 HD11 LEU A 86 -6.793 -23.039 -0.035 1.00 40.31 H new ATOM 0 HD12 LEU A 86 -6.189 -22.455 -1.604 1.00 40.31 H new ATOM 0 HD13 LEU A 86 -6.636 -24.166 -1.404 1.00 40.31 H new ATOM 0 HD21 LEU A 86 -5.380 -24.470 1.393 1.00 62.15 H new ATOM 0 HD22 LEU A 86 -5.167 -25.653 0.081 1.00 62.15 H new ATOM 0 HD23 LEU A 86 -3.744 -24.931 0.867 1.00 62.15 H new ATOM 1323 N ALA A 87 -1.686 -26.044 -1.734 1.00 20.34 N ATOM 1324 CA ALA A 87 -1.063 -27.281 -1.279 1.00 72.42 C ATOM 1325 C ALA A 87 0.450 -27.128 -1.176 1.00 25.31 C ATOM 1326 O ALA A 87 1.140 -28.012 -0.668 1.00 11.12 O ATOM 1327 CB ALA A 87 -1.417 -28.426 -2.217 1.00 51.01 C ATOM 0 H ALA A 87 -2.064 -26.085 -2.680 1.00 20.34 H new ATOM 0 HA ALA A 87 -1.447 -27.508 -0.285 1.00 72.42 H new ATOM 0 HB1 ALA A 87 -0.945 -29.344 -1.865 1.00 51.01 H new ATOM 0 HB2 ALA A 87 -2.499 -28.559 -2.237 1.00 51.01 H new ATOM 0 HB3 ALA A 87 -1.061 -28.197 -3.221 1.00 51.01 H new ATOM 1333 N ALA A 88 0.961 -26.002 -1.662 1.00 1.31 N ATOM 1334 CA ALA A 88 2.393 -25.733 -1.623 1.00 2.22 C ATOM 1335 C ALA A 88 2.722 -24.660 -0.590 1.00 25.51 C ATOM 1336 O ALA A 88 3.870 -24.523 -0.167 1.00 73.32 O ATOM 1337 CB ALA A 88 2.889 -25.313 -2.999 1.00 21.03 C ATOM 0 H ALA A 88 0.404 -25.261 -2.088 1.00 1.31 H new ATOM 0 HA ALA A 88 2.902 -26.651 -1.330 1.00 2.22 H new ATOM 0 HB1 ALA A 88 3.960 -25.115 -2.955 1.00 21.03 H new ATOM 0 HB2 ALA A 88 2.697 -26.112 -3.715 1.00 21.03 H new ATOM 0 HB3 ALA A 88 2.366 -24.410 -3.314 1.00 21.03 H new ATOM 1343 N GLY A 89 1.708 -23.901 -0.188 1.00 32.15 N ATOM 1344 CA GLY A 89 1.911 -22.850 0.792 1.00 32.02 C ATOM 1345 C GLY A 89 1.272 -23.172 2.129 1.00 41.13 C ATOM 1346 O GLY A 89 1.942 -23.167 3.162 1.00 50.13 O ATOM 0 H GLY A 89 0.749 -23.995 -0.523 1.00 32.15 H new ATOM 0 HA2 GLY A 89 2.980 -22.690 0.933 1.00 32.02 H new ATOM 0 HA3 GLY A 89 1.497 -21.917 0.410 1.00 32.02 H new ATOM 1350 N ASP A 90 -0.027 -23.451 2.110 1.00 5.10 N ATOM 1351 CA ASP A 90 -0.756 -23.776 3.330 1.00 14.00 C ATOM 1352 C ASP A 90 -0.158 -25.003 4.011 1.00 61.03 C ATOM 1353 O ASP A 90 -0.305 -26.127 3.530 1.00 63.31 O ATOM 1354 CB ASP A 90 -2.233 -24.021 3.016 1.00 11.13 C ATOM 1355 CG ASP A 90 -2.988 -24.598 4.198 1.00 50.23 C ATOM 1356 OD1 ASP A 90 -2.540 -24.393 5.345 1.00 64.21 O ATOM 1357 OD2 ASP A 90 -4.027 -25.255 3.975 1.00 2.30 O ATOM 0 H ASP A 90 -0.596 -23.459 1.264 1.00 5.10 H new ATOM 0 HA ASP A 90 -0.672 -22.929 4.011 1.00 14.00 H new ATOM 0 HB2 ASP A 90 -2.698 -23.082 2.715 1.00 11.13 H new ATOM 0 HB3 ASP A 90 -2.313 -24.703 2.169 1.00 11.13 H new ATOM 1362 N THR A 91 0.519 -24.780 5.133 1.00 10.11 N ATOM 1363 CA THR A 91 1.142 -25.866 5.879 1.00 72.22 C ATOM 1364 C THR A 91 0.346 -26.198 7.136 1.00 55.53 C ATOM 1365 O THR A 91 0.192 -27.365 7.495 1.00 72.01 O ATOM 1366 CB THR A 91 2.588 -25.517 6.278 1.00 12.41 C ATOM 1367 OG1 THR A 91 2.587 -24.694 7.450 1.00 22.45 O ATOM 1368 CG2 THR A 91 3.302 -24.794 5.146 1.00 2.11 C ATOM 0 H THR A 91 0.650 -23.856 5.545 1.00 10.11 H new ATOM 0 HA THR A 91 1.154 -26.734 5.220 1.00 72.22 H new ATOM 0 HB THR A 91 3.119 -26.446 6.487 1.00 12.41 H new ATOM 0 HG1 THR A 91 3.113 -23.884 7.282 1.00 22.45 H new ATOM 0 HG21 THR A 91 4.321 -24.558 5.451 1.00 2.11 H new ATOM 0 HG22 THR A 91 3.326 -25.434 4.264 1.00 2.11 H new ATOM 0 HG23 THR A 91 2.771 -23.872 4.911 1.00 2.11 H new ATOM 1407 N GLY A 95 -6.813 -25.351 4.642 1.00 42.23 N ATOM 1408 CA GLY A 95 -6.823 -24.768 3.313 1.00 74.55 C ATOM 1409 C GLY A 95 -6.546 -23.278 3.330 1.00 24.51 C ATOM 1410 O GLY A 95 -6.783 -22.583 2.342 1.00 11.03 O ATOM 0 HA2 GLY A 95 -6.075 -25.266 2.696 1.00 74.55 H new ATOM 0 HA3 GLY A 95 -7.792 -24.949 2.848 1.00 74.55 H new ATOM 1414 N LYS A 96 -6.042 -22.785 4.457 1.00 75.34 N ATOM 1415 CA LYS A 96 -5.732 -21.368 4.601 1.00 51.15 C ATOM 1416 C LYS A 96 -4.224 -21.140 4.613 1.00 1.24 C ATOM 1417 O LYS A 96 -3.462 -21.993 5.068 1.00 23.41 O ATOM 1418 CB LYS A 96 -6.353 -20.817 5.886 1.00 0.31 C ATOM 1419 CG LYS A 96 -7.752 -21.342 6.160 1.00 64.11 C ATOM 1420 CD LYS A 96 -8.517 -20.427 7.101 1.00 42.42 C ATOM 1421 CE LYS A 96 -8.510 -20.960 8.525 1.00 3.33 C ATOM 1422 NZ LYS A 96 -9.726 -21.765 8.822 1.00 34.32 N ATOM 0 H LYS A 96 -5.840 -23.347 5.284 1.00 75.34 H new ATOM 0 HA LYS A 96 -6.154 -20.840 3.746 1.00 51.15 H new ATOM 0 HB2 LYS A 96 -5.708 -21.069 6.728 1.00 0.31 H new ATOM 0 HB3 LYS A 96 -6.388 -19.729 5.825 1.00 0.31 H new ATOM 0 HG2 LYS A 96 -8.297 -21.436 5.220 1.00 64.11 H new ATOM 0 HG3 LYS A 96 -7.689 -22.340 6.593 1.00 64.11 H new ATOM 0 HD2 LYS A 96 -8.074 -19.431 7.082 1.00 42.42 H new ATOM 0 HD3 LYS A 96 -9.545 -20.325 6.755 1.00 42.42 H new ATOM 0 HE2 LYS A 96 -7.622 -21.573 8.679 1.00 3.33 H new ATOM 0 HE3 LYS A 96 -8.447 -20.126 9.224 1.00 3.33 H new ATOM 0 HZ1 LYS A 96 -9.683 -22.110 9.802 1.00 34.32 H new ATOM 0 HZ2 LYS A 96 -10.572 -21.173 8.700 1.00 34.32 H new ATOM 0 HZ3 LYS A 96 -9.773 -22.575 8.172 1.00 34.32 H new ATOM 1436 N ILE A 97 -3.801 -19.984 4.114 1.00 42.35 N ATOM 1437 CA ILE A 97 -2.384 -19.643 4.071 1.00 71.55 C ATOM 1438 C ILE A 97 -2.092 -18.400 4.903 1.00 1.22 C ATOM 1439 O ILE A 97 -2.677 -17.340 4.682 1.00 32.54 O ATOM 1440 CB ILE A 97 -1.906 -19.404 2.626 1.00 31.41 C ATOM 1441 CG1 ILE A 97 -1.656 -20.739 1.921 1.00 21.11 C ATOM 1442 CG2 ILE A 97 -0.646 -18.551 2.619 1.00 35.34 C ATOM 1443 CD1 ILE A 97 -1.173 -20.588 0.495 1.00 32.35 C ATOM 0 H ILE A 97 -4.419 -19.267 3.734 1.00 42.35 H new ATOM 0 HA ILE A 97 -1.843 -20.492 4.489 1.00 71.55 H new ATOM 0 HB ILE A 97 -2.686 -18.869 2.085 1.00 31.41 H new ATOM 0 HG12 ILE A 97 -0.918 -21.307 2.488 1.00 21.11 H new ATOM 0 HG13 ILE A 97 -2.578 -21.321 1.924 1.00 21.11 H new ATOM 0 HG21 ILE A 97 -0.321 -18.391 1.591 1.00 35.34 H new ATOM 0 HG22 ILE A 97 -0.855 -17.589 3.087 1.00 35.34 H new ATOM 0 HG23 ILE A 97 0.142 -19.061 3.174 1.00 35.34 H new ATOM 0 HD11 ILE A 97 -1.017 -21.574 0.057 1.00 32.35 H new ATOM 0 HD12 ILE A 97 -1.920 -20.047 -0.087 1.00 32.35 H new ATOM 0 HD13 ILE A 97 -0.234 -20.034 0.486 1.00 32.35 H new ATOM 1455 N GLY A 98 -1.180 -18.536 5.861 1.00 31.33 N ATOM 1456 CA GLY A 98 -0.824 -17.416 6.712 1.00 53.42 C ATOM 1457 C GLY A 98 0.498 -16.787 6.319 1.00 12.42 C ATOM 1458 O GLY A 98 1.135 -17.214 5.357 1.00 44.24 O ATOM 0 H GLY A 98 -0.681 -19.403 6.063 1.00 31.33 H new ATOM 0 HA2 GLY A 98 -1.610 -16.662 6.663 1.00 53.42 H new ATOM 0 HA3 GLY A 98 -0.769 -17.753 7.747 1.00 53.42 H new ATOM 1462 N VAL A 99 0.911 -15.767 7.065 1.00 0.11 N ATOM 1463 CA VAL A 99 2.166 -15.077 6.790 1.00 73.15 C ATOM 1464 C VAL A 99 3.319 -16.065 6.660 1.00 62.51 C ATOM 1465 O VAL A 99 3.891 -16.229 5.583 1.00 52.35 O ATOM 1466 CB VAL A 99 2.500 -14.057 7.894 1.00 32.12 C ATOM 1467 CG1 VAL A 99 2.231 -12.640 7.412 1.00 52.14 C ATOM 1468 CG2 VAL A 99 1.705 -14.359 9.156 1.00 63.32 C ATOM 0 H VAL A 99 0.395 -15.400 7.865 1.00 0.11 H new ATOM 0 HA VAL A 99 2.036 -14.549 5.846 1.00 73.15 H new ATOM 0 HB VAL A 99 3.561 -14.139 8.131 1.00 32.12 H new ATOM 0 HG11 VAL A 99 2.473 -11.934 8.206 1.00 52.14 H new ATOM 0 HG12 VAL A 99 2.848 -12.430 6.538 1.00 52.14 H new ATOM 0 HG13 VAL A 99 1.179 -12.540 7.146 1.00 52.14 H new ATOM 0 HG21 VAL A 99 1.953 -13.629 9.926 1.00 63.32 H new ATOM 0 HG22 VAL A 99 0.639 -14.306 8.936 1.00 63.32 H new ATOM 0 HG23 VAL A 99 1.953 -15.359 9.511 1.00 63.32 H new ATOM 1478 N GLU A 100 3.655 -16.723 7.765 1.00 4.35 N ATOM 1479 CA GLU A 100 4.742 -17.695 7.775 1.00 73.43 C ATOM 1480 C GLU A 100 4.569 -18.715 6.652 1.00 13.33 C ATOM 1481 O GLU A 100 5.547 -19.203 6.088 1.00 41.10 O ATOM 1482 CB GLU A 100 4.802 -18.413 9.125 1.00 43.41 C ATOM 1483 CG GLU A 100 5.992 -18.005 9.978 1.00 53.41 C ATOM 1484 CD GLU A 100 6.417 -19.093 10.945 1.00 50.24 C ATOM 1485 OE1 GLU A 100 5.555 -19.582 11.704 1.00 24.13 O ATOM 1486 OE2 GLU A 100 7.612 -19.455 10.941 1.00 43.04 O ATOM 0 H GLU A 100 3.190 -16.601 8.665 1.00 4.35 H new ATOM 0 HA GLU A 100 5.677 -17.158 7.615 1.00 73.43 H new ATOM 0 HB2 GLU A 100 3.884 -18.210 9.676 1.00 43.41 H new ATOM 0 HB3 GLU A 100 4.840 -19.489 8.954 1.00 43.41 H new ATOM 0 HG2 GLU A 100 6.831 -17.753 9.329 1.00 53.41 H new ATOM 0 HG3 GLU A 100 5.741 -17.104 10.538 1.00 53.41 H new ATOM 1493 N GLU A 101 3.317 -19.031 6.335 1.00 11.43 N ATOM 1494 CA GLU A 101 3.016 -19.993 5.282 1.00 50.33 C ATOM 1495 C GLU A 101 3.307 -19.401 3.905 1.00 23.35 C ATOM 1496 O GLU A 101 3.684 -20.117 2.977 1.00 53.21 O ATOM 1497 CB GLU A 101 1.552 -20.429 5.362 1.00 54.01 C ATOM 1498 CG GLU A 101 1.114 -20.837 6.758 1.00 14.15 C ATOM 1499 CD GLU A 101 2.252 -21.401 7.585 1.00 24.35 C ATOM 1500 OE1 GLU A 101 3.005 -22.248 7.060 1.00 3.41 O ATOM 1501 OE2 GLU A 101 2.391 -20.996 8.759 1.00 55.33 O ATOM 0 H GLU A 101 2.496 -18.635 6.792 1.00 11.43 H new ATOM 0 HA GLU A 101 3.655 -20.864 5.427 1.00 50.33 H new ATOM 0 HB2 GLU A 101 0.919 -19.612 5.016 1.00 54.01 H new ATOM 0 HB3 GLU A 101 1.393 -21.266 4.681 1.00 54.01 H new ATOM 0 HG2 GLU A 101 0.692 -19.972 7.270 1.00 14.15 H new ATOM 0 HG3 GLU A 101 0.321 -21.581 6.683 1.00 14.15 H new ATOM 1508 N PHE A 102 3.130 -18.090 3.782 1.00 72.11 N ATOM 1509 CA PHE A 102 3.372 -17.402 2.519 1.00 13.54 C ATOM 1510 C PHE A 102 4.864 -17.350 2.205 1.00 20.21 C ATOM 1511 O PHE A 102 5.320 -17.924 1.216 1.00 10.43 O ATOM 1512 CB PHE A 102 2.801 -15.983 2.570 1.00 13.12 C ATOM 1513 CG PHE A 102 2.929 -15.238 1.272 1.00 31.21 C ATOM 1514 CD1 PHE A 102 2.159 -15.592 0.176 1.00 34.02 C ATOM 1515 CD2 PHE A 102 3.820 -14.185 1.148 1.00 44.22 C ATOM 1516 CE1 PHE A 102 2.274 -14.909 -1.020 1.00 11.42 C ATOM 1517 CE2 PHE A 102 3.940 -13.497 -0.045 1.00 74.53 C ATOM 1518 CZ PHE A 102 3.166 -13.861 -1.131 1.00 5.42 C ATOM 0 H PHE A 102 2.820 -17.483 4.541 1.00 72.11 H new ATOM 0 HA PHE A 102 2.871 -17.960 1.728 1.00 13.54 H new ATOM 0 HB2 PHE A 102 1.748 -16.033 2.848 1.00 13.12 H new ATOM 0 HB3 PHE A 102 3.311 -15.423 3.353 1.00 13.12 H new ATOM 0 HD1 PHE A 102 1.460 -16.412 0.257 1.00 34.02 H new ATOM 0 HD2 PHE A 102 4.428 -13.898 1.993 1.00 44.22 H new ATOM 0 HE1 PHE A 102 1.667 -15.195 -1.866 1.00 11.42 H new ATOM 0 HE2 PHE A 102 4.637 -12.676 -0.128 1.00 74.53 H new ATOM 0 HZ PHE A 102 3.259 -13.326 -2.065 1.00 5.42 H new ATOM 1528 N GLN A 103 5.618 -16.659 3.054 1.00 51.23 N ATOM 1529 CA GLN A 103 7.058 -16.531 2.866 1.00 63.31 C ATOM 1530 C GLN A 103 7.716 -17.903 2.755 1.00 3.34 C ATOM 1531 O GLN A 103 8.736 -18.061 2.084 1.00 53.44 O ATOM 1532 CB GLN A 103 7.677 -15.747 4.024 1.00 24.22 C ATOM 1533 CG GLN A 103 7.260 -16.255 5.395 1.00 72.12 C ATOM 1534 CD GLN A 103 8.050 -15.616 6.520 1.00 60.13 C ATOM 1535 OE1 GLN A 103 8.485 -14.469 6.415 1.00 52.13 O ATOM 1536 NE2 GLN A 103 8.240 -16.357 7.605 1.00 64.20 N ATOM 0 H GLN A 103 5.256 -16.180 3.878 1.00 51.23 H new ATOM 0 HA GLN A 103 7.231 -15.989 1.936 1.00 63.31 H new ATOM 0 HB2 GLN A 103 8.763 -15.793 3.944 1.00 24.22 H new ATOM 0 HB3 GLN A 103 7.395 -14.698 3.933 1.00 24.22 H new ATOM 0 HG2 GLN A 103 6.198 -16.057 5.544 1.00 72.12 H new ATOM 0 HG3 GLN A 103 7.391 -17.336 5.433 1.00 72.12 H new ATOM 0 HE21 GLN A 103 7.861 -17.303 7.649 1.00 64.20 H new ATOM 0 HE22 GLN A 103 8.764 -15.980 8.395 1.00 64.20 H new ATOM 1545 N SER A 104 7.127 -18.892 3.419 1.00 12.35 N ATOM 1546 CA SER A 104 7.658 -20.249 3.399 1.00 24.42 C ATOM 1547 C SER A 104 7.548 -20.855 2.003 1.00 31.34 C ATOM 1548 O SER A 104 8.159 -21.884 1.710 1.00 43.41 O ATOM 1549 CB SER A 104 6.915 -21.126 4.408 1.00 35.15 C ATOM 1550 OG SER A 104 7.244 -22.494 4.237 1.00 45.41 O ATOM 0 H SER A 104 6.281 -18.778 3.978 1.00 12.35 H new ATOM 0 HA SER A 104 8.712 -20.204 3.675 1.00 24.42 H new ATOM 0 HB2 SER A 104 7.167 -20.812 5.421 1.00 35.15 H new ATOM 0 HB3 SER A 104 5.840 -20.990 4.290 1.00 35.15 H new ATOM 0 HG SER A 104 7.759 -22.606 3.411 1.00 45.41 H new ATOM 1556 N LEU A 105 6.764 -20.211 1.146 1.00 10.02 N ATOM 1557 CA LEU A 105 6.572 -20.685 -0.220 1.00 51.11 C ATOM 1558 C LEU A 105 7.324 -19.804 -1.213 1.00 13.13 C ATOM 1559 O LEU A 105 7.947 -20.300 -2.151 1.00 63.21 O ATOM 1560 CB LEU A 105 5.083 -20.709 -0.568 1.00 55.40 C ATOM 1561 CG LEU A 105 4.736 -21.070 -2.013 1.00 45.50 C ATOM 1562 CD1 LEU A 105 3.389 -21.772 -2.080 1.00 24.12 C ATOM 1563 CD2 LEU A 105 4.735 -19.824 -2.888 1.00 34.41 C ATOM 0 H LEU A 105 6.251 -19.359 1.373 1.00 10.02 H new ATOM 0 HA LEU A 105 6.971 -21.697 -0.286 1.00 51.11 H new ATOM 0 HB2 LEU A 105 4.588 -21.421 0.092 1.00 55.40 H new ATOM 0 HB3 LEU A 105 4.664 -19.727 -0.349 1.00 55.40 H new ATOM 0 HG LEU A 105 5.497 -21.754 -2.389 1.00 45.50 H new ATOM 0 HD11 LEU A 105 3.160 -22.021 -3.116 1.00 24.12 H new ATOM 0 HD12 LEU A 105 3.425 -22.686 -1.487 1.00 24.12 H new ATOM 0 HD13 LEU A 105 2.615 -21.113 -1.685 1.00 24.12 H new ATOM 0 HD21 LEU A 105 4.486 -20.099 -3.913 1.00 34.41 H new ATOM 0 HD22 LEU A 105 3.996 -19.116 -2.513 1.00 34.41 H new ATOM 0 HD23 LEU A 105 5.722 -19.363 -2.866 1.00 34.41 H new ATOM 1575 N VAL A 106 7.262 -18.493 -0.998 1.00 70.51 N ATOM 1576 CA VAL A 106 7.940 -17.543 -1.872 1.00 15.14 C ATOM 1577 C VAL A 106 9.446 -17.778 -1.877 1.00 32.42 C ATOM 1578 O VAL A 106 10.092 -17.714 -2.923 1.00 21.52 O ATOM 1579 CB VAL A 106 7.660 -16.090 -1.444 1.00 54.14 C ATOM 1580 CG1 VAL A 106 8.245 -15.114 -2.454 1.00 23.13 C ATOM 1581 CG2 VAL A 106 6.165 -15.863 -1.276 1.00 52.15 C ATOM 0 H VAL A 106 6.750 -18.065 -0.227 1.00 70.51 H new ATOM 0 HA VAL A 106 7.548 -17.701 -2.877 1.00 15.14 H new ATOM 0 HB VAL A 106 8.142 -15.913 -0.482 1.00 54.14 H new ATOM 0 HG11 VAL A 106 8.037 -14.093 -2.135 1.00 23.13 H new ATOM 0 HG12 VAL A 106 9.323 -15.262 -2.520 1.00 23.13 H new ATOM 0 HG13 VAL A 106 7.794 -15.288 -3.431 1.00 23.13 H new ATOM 0 HG21 VAL A 106 5.985 -14.831 -0.973 1.00 52.15 H new ATOM 0 HG22 VAL A 106 5.659 -16.057 -2.222 1.00 52.15 H new ATOM 0 HG23 VAL A 106 5.778 -16.538 -0.512 1.00 52.15 H new ATOM 1591 N LYS A 107 10.000 -18.052 -0.701 1.00 3.33 N ATOM 1592 CA LYS A 107 11.431 -18.299 -0.568 1.00 21.12 C ATOM 1593 C LYS A 107 11.854 -19.507 -1.398 1.00 33.35 C ATOM 1594 O LYS A 107 13.033 -19.679 -1.705 1.00 53.35 O ATOM 1595 CB LYS A 107 11.797 -18.523 0.901 1.00 14.13 C ATOM 1596 CG LYS A 107 11.761 -17.255 1.737 1.00 70.01 C ATOM 1597 CD LYS A 107 12.984 -17.142 2.632 1.00 71.44 C ATOM 1598 CE LYS A 107 14.252 -16.929 1.819 1.00 54.04 C ATOM 1599 NZ LYS A 107 14.532 -15.483 1.597 1.00 33.21 N ATOM 0 H LYS A 107 9.479 -18.109 0.174 1.00 3.33 H new ATOM 0 HA LYS A 107 11.961 -17.422 -0.938 1.00 21.12 H new ATOM 0 HB2 LYS A 107 11.109 -19.251 1.331 1.00 14.13 H new ATOM 0 HB3 LYS A 107 12.796 -18.956 0.956 1.00 14.13 H new ATOM 0 HG2 LYS A 107 11.708 -16.387 1.080 1.00 70.01 H new ATOM 0 HG3 LYS A 107 10.859 -17.247 2.349 1.00 70.01 H new ATOM 0 HD2 LYS A 107 12.852 -16.312 3.327 1.00 71.44 H new ATOM 0 HD3 LYS A 107 13.083 -18.047 3.231 1.00 71.44 H new ATOM 0 HE2 LYS A 107 15.096 -17.387 2.335 1.00 54.04 H new ATOM 0 HE3 LYS A 107 14.155 -17.432 0.857 1.00 54.04 H new ATOM 0 HZ1 LYS A 107 15.189 -15.375 0.798 1.00 33.21 H new ATOM 0 HZ2 LYS A 107 13.643 -14.986 1.385 1.00 33.21 H new ATOM 0 HZ3 LYS A 107 14.960 -15.077 2.453 1.00 33.21 H new ATOM 1613 N ALA A 108 10.883 -20.341 -1.757 1.00 63.12 N ATOM 1614 CA ALA A 108 11.155 -21.531 -2.554 1.00 52.12 C ATOM 1615 C ALA A 108 10.732 -21.328 -4.005 1.00 75.11 C ATOM 1616 O ALA A 108 9.727 -21.883 -4.452 1.00 15.42 O ATOM 1617 CB ALA A 108 10.445 -22.738 -1.959 1.00 62.01 C ATOM 0 H ALA A 108 9.902 -20.214 -1.509 1.00 63.12 H new ATOM 0 HA ALA A 108 12.230 -21.711 -2.538 1.00 52.12 H new ATOM 0 HB1 ALA A 108 10.657 -23.620 -2.564 1.00 62.01 H new ATOM 0 HB2 ALA A 108 10.799 -22.903 -0.941 1.00 62.01 H new ATOM 0 HB3 ALA A 108 9.370 -22.557 -1.945 1.00 62.01 H new