USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 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 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -0.345 K(o=-0.35,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.0217 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 111:sc= -1.63! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.71 K(o=-2.7,f=-6.9!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.99! C(o=-4!,f=-6!) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0579 (180deg=-0.57) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0105 (180deg=-0.329) USER MOD Single : A 27 MET CE :methyl 155:sc= -1.06 (180deg=-1.14) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 38 ASN : amide:sc= -1.33 K(o=-1.3,f=-6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.166 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -65:sc= 0.97 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0482 (180deg=-0.442) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 71 GLN : amide:sc= 0.832 K(o=0.83,f=-7.7!) USER MOD Single : A 84 ASN : amide:sc= -2.95! C(o=-3!,f=-2!) USER MOD Single : A 85 SER OG : rot 101:sc= -0.518! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.998 -15.231 13.776 1.00 0.00 N ATOM 2 CA MET A 1 48.290 -13.971 14.516 1.00 0.00 C ATOM 3 C MET A 1 49.719 -14.013 15.044 1.00 0.00 C ATOM 4 O MET A 1 50.206 -15.064 15.462 1.00 0.00 O ATOM 5 CB MET A 1 47.306 -13.826 15.680 1.00 0.00 C ATOM 6 CG MET A 1 47.162 -12.349 16.046 1.00 0.00 C ATOM 7 SD MET A 1 46.110 -11.524 14.826 1.00 0.00 S ATOM 8 CE MET A 1 46.331 -9.836 15.439 1.00 0.00 C ATOM 0 H1 MET A 1 48.119 -15.070 12.756 1.00 0.00 H new ATOM 0 H2 MET A 1 48.651 -15.977 14.089 1.00 0.00 H new ATOM 0 H3 MET A 1 47.019 -15.526 13.966 1.00 0.00 H new ATOM 0 HA MET A 1 48.181 -13.117 13.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.336 -14.239 15.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.660 -14.392 16.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.729 -12.251 17.041 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.142 -11.874 16.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.758 -9.146 14.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.982 -9.775 16.470 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.387 -9.569 15.397 1.00 0.00 H new ATOM 20 N THR A 2 50.386 -12.864 15.023 1.00 0.00 N ATOM 21 CA THR A 2 51.761 -12.780 15.505 1.00 0.00 C ATOM 22 C THR A 2 52.682 -13.647 14.651 1.00 0.00 C ATOM 23 O THR A 2 52.523 -14.867 14.593 1.00 0.00 O ATOM 24 CB THR A 2 51.833 -13.237 16.963 1.00 0.00 C ATOM 25 OG1 THR A 2 50.522 -13.520 17.434 1.00 0.00 O ATOM 26 CG2 THR A 2 52.456 -12.132 17.816 1.00 0.00 C ATOM 0 H THR A 2 50.001 -11.984 14.680 1.00 0.00 H new ATOM 0 HA THR A 2 52.088 -11.743 15.434 1.00 0.00 H new ATOM 0 HB THR A 2 52.447 -14.135 17.033 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.427 -14.485 17.576 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.507 -12.459 18.855 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.461 -11.916 17.454 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.845 -11.232 17.748 1.00 0.00 H new ATOM 34 N VAL A 3 53.642 -13.009 13.993 1.00 0.00 N ATOM 35 CA VAL A 3 54.585 -13.731 13.145 1.00 0.00 C ATOM 36 C VAL A 3 56.016 -13.297 13.447 1.00 0.00 C ATOM 37 O VAL A 3 56.365 -12.126 13.292 1.00 0.00 O ATOM 38 CB VAL A 3 54.269 -13.469 11.671 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.218 -14.286 10.793 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.824 -13.881 11.380 1.00 0.00 C ATOM 0 H VAL A 3 53.789 -12.000 14.029 1.00 0.00 H new ATOM 0 HA VAL A 3 54.489 -14.797 13.352 1.00 0.00 H new ATOM 0 HB VAL A 3 54.396 -12.408 11.454 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.993 -14.100 9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.248 -13.995 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.091 -15.347 11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.597 -13.695 10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.698 -14.942 11.596 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.147 -13.300 12.006 1.00 0.00 H new ATOM 50 N LYS A 4 56.839 -14.247 13.877 1.00 0.00 N ATOM 51 CA LYS A 4 58.231 -13.949 14.197 1.00 0.00 C ATOM 52 C LYS A 4 59.170 -14.844 13.396 1.00 0.00 C ATOM 53 O LYS A 4 58.745 -15.835 12.804 1.00 0.00 O ATOM 54 CB LYS A 4 58.478 -14.158 15.693 1.00 0.00 C ATOM 55 CG LYS A 4 57.449 -15.145 16.248 1.00 0.00 C ATOM 56 CD LYS A 4 57.946 -15.706 17.582 1.00 0.00 C ATOM 57 CE LYS A 4 58.749 -16.983 17.331 1.00 0.00 C ATOM 58 NZ LYS A 4 59.233 -17.529 18.631 1.00 0.00 N ATOM 0 H LYS A 4 56.570 -15.222 14.011 1.00 0.00 H new ATOM 0 HA LYS A 4 58.429 -12.909 13.936 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.487 -14.538 15.856 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.406 -13.207 16.220 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.489 -14.647 16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.288 -15.956 15.538 1.00 0.00 H new ATOM 0 HD2 LYS A 4 58.566 -14.968 18.091 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.101 -15.918 18.237 1.00 0.00 H new ATOM 0 HE2 LYS A 4 58.129 -17.721 16.823 1.00 0.00 H new ATOM 0 HE3 LYS A 4 59.594 -16.771 16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 59.779 -18.398 18.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.839 -16.825 19.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 58.419 -17.746 19.241 1.00 0.00 H new ATOM 72 N GLN A 5 60.450 -14.486 13.382 1.00 0.00 N ATOM 73 CA GLN A 5 61.443 -15.264 12.650 1.00 0.00 C ATOM 74 C GLN A 5 62.853 -14.795 12.997 1.00 0.00 C ATOM 75 O GLN A 5 63.122 -13.595 13.053 1.00 0.00 O ATOM 76 CB GLN A 5 61.212 -15.121 11.144 1.00 0.00 C ATOM 77 CG GLN A 5 62.351 -15.804 10.385 1.00 0.00 C ATOM 78 CD GLN A 5 62.149 -15.639 8.883 1.00 0.00 C ATOM 79 OE1 GLN A 5 61.067 -15.253 8.439 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.132 -15.908 8.068 1.00 0.00 N ATOM 0 H GLN A 5 60.822 -13.668 13.865 1.00 0.00 H new ATOM 0 HA GLN A 5 61.340 -16.311 12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.257 -15.569 10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 5 61.160 -14.067 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 5 63.307 -15.372 10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 5 62.386 -16.863 10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 5 64.028 -16.228 8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 63.005 -15.799 7.062 1.00 0.00 H new ATOM 89 N THR A 6 63.748 -15.750 13.230 1.00 0.00 N ATOM 90 CA THR A 6 65.128 -15.421 13.572 1.00 0.00 C ATOM 91 C THR A 6 65.921 -15.067 12.318 1.00 0.00 C ATOM 92 O THR A 6 65.829 -15.752 11.299 1.00 0.00 O ATOM 93 CB THR A 6 65.788 -16.608 14.277 1.00 0.00 C ATOM 94 OG1 THR A 6 64.814 -17.612 14.525 1.00 0.00 O ATOM 95 CG2 THR A 6 66.394 -16.144 15.603 1.00 0.00 C ATOM 0 H THR A 6 63.546 -16.749 13.189 1.00 0.00 H new ATOM 0 HA THR A 6 65.122 -14.559 14.239 1.00 0.00 H new ATOM 0 HB THR A 6 66.576 -17.015 13.643 1.00 0.00 H new ATOM 0 HG1 THR A 6 65.236 -18.373 14.975 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.864 -16.990 16.104 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.142 -15.375 15.412 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.608 -15.736 16.239 1.00 0.00 H new ATOM 103 N VAL A 7 66.698 -13.992 12.399 1.00 0.00 N ATOM 104 CA VAL A 7 67.503 -13.556 11.264 1.00 0.00 C ATOM 105 C VAL A 7 68.917 -13.199 11.712 1.00 0.00 C ATOM 106 O VAL A 7 69.104 -12.408 12.636 1.00 0.00 O ATOM 107 CB VAL A 7 66.856 -12.338 10.602 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.737 -11.854 9.450 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.477 -12.726 10.062 1.00 0.00 C ATOM 0 H VAL A 7 66.787 -13.410 13.232 1.00 0.00 H new ATOM 0 HA VAL A 7 67.557 -14.376 10.547 1.00 0.00 H new ATOM 0 HB VAL A 7 66.749 -11.539 11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.275 -10.986 8.979 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.719 -11.579 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.845 -12.651 8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.014 -11.859 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.585 -13.525 9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.848 -13.071 10.883 1.00 0.00 H new ATOM 119 N GLU A 8 69.908 -13.789 11.052 1.00 0.00 N ATOM 120 CA GLU A 8 71.302 -13.525 11.392 1.00 0.00 C ATOM 121 C GLU A 8 71.698 -12.115 10.965 1.00 0.00 C ATOM 122 O GLU A 8 71.435 -11.702 9.835 1.00 0.00 O ATOM 123 CB GLU A 8 72.211 -14.544 10.701 1.00 0.00 C ATOM 124 CG GLU A 8 71.942 -15.937 11.272 1.00 0.00 C ATOM 125 CD GLU A 8 72.608 -16.997 10.400 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.090 -16.642 9.337 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.624 -18.146 10.807 1.00 0.00 O ATOM 0 H GLU A 8 69.774 -14.448 10.285 1.00 0.00 H new ATOM 0 HA GLU A 8 71.416 -13.612 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.030 -14.539 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.257 -14.274 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.323 -16.001 12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 8 70.868 -16.117 11.321 1.00 0.00 H new ATOM 134 N ILE A 9 72.327 -11.380 11.875 1.00 0.00 N ATOM 135 CA ILE A 9 72.752 -10.016 11.581 1.00 0.00 C ATOM 136 C ILE A 9 74.118 -10.011 10.904 1.00 0.00 C ATOM 137 O ILE A 9 75.109 -10.461 11.480 1.00 0.00 O ATOM 138 CB ILE A 9 72.817 -9.201 12.873 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.409 -8.745 13.261 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.708 -7.975 12.659 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.760 -8.029 12.074 1.00 0.00 C ATOM 0 H ILE A 9 72.553 -11.702 12.816 1.00 0.00 H new ATOM 0 HA ILE A 9 72.025 -9.568 10.904 1.00 0.00 H new ATOM 0 HB ILE A 9 73.232 -9.818 13.670 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.805 -9.603 13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.455 -8.077 14.121 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.754 -7.394 13.580 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.712 -8.298 12.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.293 -7.359 11.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.757 -7.704 12.350 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.360 -7.161 11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.700 -8.711 11.226 1.00 0.00 H new ATOM 153 N THR A 10 74.163 -9.498 9.679 1.00 0.00 N ATOM 154 CA THR A 10 75.414 -9.436 8.932 1.00 0.00 C ATOM 155 C THR A 10 75.597 -8.054 8.312 1.00 0.00 C ATOM 156 O THR A 10 74.965 -7.727 7.307 1.00 0.00 O ATOM 157 CB THR A 10 75.418 -10.497 7.830 1.00 0.00 C ATOM 158 OG1 THR A 10 75.420 -11.791 8.421 1.00 0.00 O ATOM 159 CG2 THR A 10 76.666 -10.329 6.962 1.00 0.00 C ATOM 0 H THR A 10 73.354 -9.122 9.185 1.00 0.00 H new ATOM 0 HA THR A 10 76.238 -9.626 9.620 1.00 0.00 H new ATOM 0 HB THR A 10 74.529 -10.381 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 10 75.421 -12.472 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 10 76.668 -11.085 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 10 76.664 -9.337 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 10 77.557 -10.445 7.579 1.00 0.00 H new ATOM 167 N ASN A 11 76.463 -7.249 8.918 1.00 0.00 N ATOM 168 CA ASN A 11 76.718 -5.903 8.416 1.00 0.00 C ATOM 169 C ASN A 11 75.619 -4.948 8.868 1.00 0.00 C ATOM 170 O ASN A 11 75.229 -4.042 8.132 1.00 0.00 O ATOM 171 CB ASN A 11 76.788 -5.919 6.888 1.00 0.00 C ATOM 172 CG ASN A 11 77.902 -6.853 6.426 1.00 0.00 C ATOM 173 OD1 ASN A 11 77.632 -7.893 5.825 1.00 0.00 O ATOM 174 ND2 ASN A 11 79.145 -6.543 6.673 1.00 0.00 N ATOM 0 H ASN A 11 76.996 -7.501 9.750 1.00 0.00 H new ATOM 0 HA ASN A 11 77.671 -5.559 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 11 75.834 -6.246 6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 11 76.968 -4.911 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 11 79.895 -7.163 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 11 79.366 -5.681 7.171 1.00 0.00 H new ATOM 181 N LYS A 12 75.122 -5.159 10.082 1.00 0.00 N ATOM 182 CA LYS A 12 74.065 -4.311 10.622 1.00 0.00 C ATOM 183 C LYS A 12 72.705 -4.744 10.083 1.00 0.00 C ATOM 184 O LYS A 12 72.580 -5.803 9.469 1.00 0.00 O ATOM 185 CB LYS A 12 74.324 -2.850 10.247 1.00 0.00 C ATOM 186 CG LYS A 12 75.709 -2.433 10.742 1.00 0.00 C ATOM 187 CD LYS A 12 75.860 -0.916 10.618 1.00 0.00 C ATOM 188 CE LYS A 12 77.306 -0.519 10.923 1.00 0.00 C ATOM 189 NZ LYS A 12 78.200 -1.032 9.847 1.00 0.00 N ATOM 0 H LYS A 12 75.431 -5.904 10.707 1.00 0.00 H new ATOM 0 HA LYS A 12 74.062 -4.411 11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 12 74.260 -2.724 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.561 -2.210 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 12 75.843 -2.739 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 12 76.481 -2.935 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 12 75.588 -0.594 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 12 75.181 -0.415 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 12 77.389 0.566 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 12 77.610 -0.925 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 79.073 -0.467 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 78.436 -2.027 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 77.715 -0.960 8.930 1.00 0.00 H new ATOM 203 N LEU A 13 71.691 -3.918 10.316 1.00 0.00 N ATOM 204 CA LEU A 13 70.345 -4.227 9.848 1.00 0.00 C ATOM 205 C LEU A 13 70.221 -3.950 8.353 1.00 0.00 C ATOM 206 O LEU A 13 69.120 -3.766 7.835 1.00 0.00 O ATOM 207 CB LEU A 13 69.320 -3.388 10.612 1.00 0.00 C ATOM 208 CG LEU A 13 69.155 -3.946 12.027 1.00 0.00 C ATOM 209 CD1 LEU A 13 70.455 -3.747 12.809 1.00 0.00 C ATOM 210 CD2 LEU A 13 68.018 -3.208 12.735 1.00 0.00 C ATOM 0 H LEU A 13 71.774 -3.036 10.822 1.00 0.00 H new ATOM 0 HA LEU A 13 70.152 -5.285 10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 69.645 -2.349 10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.363 -3.401 10.091 1.00 0.00 H new ATOM 0 HG LEU A 13 68.922 -5.009 11.973 1.00 0.00 H new ATOM 0 HD11 LEU A 13 70.338 -4.144 13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 71.267 -4.271 12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 13 70.688 -2.684 12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.899 -3.604 13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.252 -2.145 12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.091 -3.348 12.179 1.00 0.00 H new ATOM 222 N GLY A 14 71.358 -3.919 7.666 1.00 0.00 N ATOM 223 CA GLY A 14 71.366 -3.663 6.231 1.00 0.00 C ATOM 224 C GLY A 14 72.399 -2.600 5.873 1.00 0.00 C ATOM 225 O GLY A 14 73.499 -2.579 6.425 1.00 0.00 O ATOM 0 H GLY A 14 72.280 -4.067 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.587 -4.586 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.377 -3.337 5.910 1.00 0.00 H new ATOM 229 N MET A 15 72.037 -1.720 4.944 1.00 0.00 N ATOM 230 CA MET A 15 72.942 -0.658 4.521 1.00 0.00 C ATOM 231 C MET A 15 72.637 0.637 5.269 1.00 0.00 C ATOM 232 O MET A 15 71.535 1.174 5.173 1.00 0.00 O ATOM 233 CB MET A 15 72.803 -0.424 3.015 1.00 0.00 C ATOM 234 CG MET A 15 73.733 0.713 2.587 1.00 0.00 C ATOM 235 SD MET A 15 73.755 0.826 0.781 1.00 0.00 S ATOM 236 CE MET A 15 74.914 2.211 0.655 1.00 0.00 C ATOM 0 H MET A 15 71.132 -1.721 4.474 1.00 0.00 H new ATOM 0 HA MET A 15 73.963 -0.964 4.749 1.00 0.00 H new ATOM 0 HB2 MET A 15 73.051 -1.335 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 15 71.771 -0.176 2.769 1.00 0.00 H new ATOM 0 HG2 MET A 15 73.394 1.656 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 15 74.740 0.535 2.963 1.00 0.00 H new ATOM 0 HE1 MET A 15 75.077 2.455 -0.395 1.00 0.00 H new ATOM 0 HE2 MET A 15 74.501 3.079 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 15 75.863 1.934 1.114 1.00 0.00 H new ATOM 246 N HIS A 16 73.621 1.130 6.013 1.00 0.00 N ATOM 247 CA HIS A 16 73.447 2.362 6.774 1.00 0.00 C ATOM 248 C HIS A 16 72.239 2.254 7.699 1.00 0.00 C ATOM 249 O HIS A 16 71.746 3.259 8.211 1.00 0.00 O ATOM 250 CB HIS A 16 73.258 3.542 5.819 1.00 0.00 C ATOM 251 CG HIS A 16 74.576 3.892 5.187 1.00 0.00 C ATOM 252 ND1 HIS A 16 75.081 3.201 4.097 1.00 0.00 N ATOM 253 CD2 HIS A 16 75.508 4.858 5.481 1.00 0.00 C ATOM 254 CE1 HIS A 16 76.264 3.754 3.777 1.00 0.00 C ATOM 255 NE2 HIS A 16 76.572 4.770 4.589 1.00 0.00 N ATOM 0 H HIS A 16 74.541 0.699 6.105 1.00 0.00 H new ATOM 0 HA HIS A 16 74.339 2.524 7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 16 72.530 3.287 5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 16 72.862 4.402 6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.427 5.577 6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 16 76.889 3.418 2.963 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.407 5.355 4.561 1.00 0.00 H new ATOM 263 N ALA A 17 71.767 1.029 7.907 1.00 0.00 N ATOM 264 CA ALA A 17 70.615 0.802 8.772 1.00 0.00 C ATOM 265 C ALA A 17 69.340 1.318 8.113 1.00 0.00 C ATOM 266 O ALA A 17 68.304 1.454 8.765 1.00 0.00 O ATOM 267 CB ALA A 17 70.821 1.511 10.113 1.00 0.00 C ATOM 0 H ALA A 17 72.161 0.184 7.492 1.00 0.00 H new ATOM 0 HA ALA A 17 70.516 -0.271 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 17 69.956 1.337 10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.716 1.120 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 17 70.938 2.582 9.944 1.00 0.00 H new ATOM 273 N ARG A 18 69.422 1.602 6.818 1.00 0.00 N ATOM 274 CA ARG A 18 68.268 2.102 6.080 1.00 0.00 C ATOM 275 C ARG A 18 67.008 1.339 6.477 1.00 0.00 C ATOM 276 O ARG A 18 65.978 1.937 6.789 1.00 0.00 O ATOM 277 CB ARG A 18 68.504 1.954 4.576 1.00 0.00 C ATOM 278 CG ARG A 18 68.570 3.340 3.931 1.00 0.00 C ATOM 279 CD ARG A 18 68.985 3.203 2.465 1.00 0.00 C ATOM 280 NE ARG A 18 69.039 4.515 1.832 1.00 0.00 N ATOM 281 CZ ARG A 18 70.054 5.344 2.055 1.00 0.00 C ATOM 282 NH1 ARG A 18 70.082 6.512 1.476 1.00 0.00 N ATOM 283 NH2 ARG A 18 71.022 4.989 2.855 1.00 0.00 N ATOM 0 H ARG A 18 70.269 1.496 6.260 1.00 0.00 H new ATOM 0 HA ARG A 18 68.134 3.156 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 18 69.432 1.412 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.701 1.370 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 18 67.600 3.831 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 18 69.284 3.967 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 18 69.959 2.719 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 18 68.276 2.565 1.937 1.00 0.00 H new ATOM 0 HE ARG A 18 68.285 4.802 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 18 69.325 6.790 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 18 70.861 7.148 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 18 71.000 4.076 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 18 71.801 5.625 3.026 1.00 0.00 H new ATOM 297 N PRO A 19 67.077 0.036 6.469 1.00 0.00 N ATOM 298 CA PRO A 19 65.925 -0.837 6.834 1.00 0.00 C ATOM 299 C PRO A 19 65.253 -0.388 8.129 1.00 0.00 C ATOM 300 O PRO A 19 64.027 -0.318 8.211 1.00 0.00 O ATOM 301 CB PRO A 19 66.556 -2.221 6.997 1.00 0.00 C ATOM 302 CG PRO A 19 67.787 -2.200 6.152 1.00 0.00 C ATOM 303 CD PRO A 19 68.269 -0.748 6.110 1.00 0.00 C ATOM 0 HA PRO A 19 65.136 -0.811 6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.800 -2.421 8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 19 65.871 -3.005 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.555 -2.850 6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.573 -2.566 5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.084 -0.578 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.640 -0.479 5.121 1.00 0.00 H new ATOM 311 N ALA A 20 66.064 -0.083 9.137 1.00 0.00 N ATOM 312 CA ALA A 20 65.536 0.359 10.422 1.00 0.00 C ATOM 313 C ALA A 20 64.730 1.642 10.255 1.00 0.00 C ATOM 314 O ALA A 20 63.590 1.735 10.709 1.00 0.00 O ATOM 315 CB ALA A 20 66.684 0.598 11.405 1.00 0.00 C ATOM 0 H ALA A 20 67.082 -0.133 9.090 1.00 0.00 H new ATOM 0 HA ALA A 20 64.881 -0.420 10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.281 0.928 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.241 -0.328 11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.349 1.365 11.008 1.00 0.00 H new ATOM 321 N MET A 21 65.330 2.630 9.599 1.00 0.00 N ATOM 322 CA MET A 21 64.658 3.905 9.376 1.00 0.00 C ATOM 323 C MET A 21 63.405 3.705 8.529 1.00 0.00 C ATOM 324 O MET A 21 62.365 4.310 8.789 1.00 0.00 O ATOM 325 CB MET A 21 65.603 4.879 8.671 1.00 0.00 C ATOM 326 CG MET A 21 66.624 5.417 9.675 1.00 0.00 C ATOM 327 SD MET A 21 65.768 6.370 10.955 1.00 0.00 S ATOM 328 CE MET A 21 67.175 6.560 12.076 1.00 0.00 C ATOM 0 H MET A 21 66.273 2.574 9.215 1.00 0.00 H new ATOM 0 HA MET A 21 64.370 4.318 10.343 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.114 4.376 7.850 1.00 0.00 H new ATOM 0 HB3 MET A 21 65.036 5.702 8.237 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.174 4.592 10.128 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.354 6.046 9.166 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.867 7.130 12.953 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.528 5.577 12.387 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.979 7.088 11.564 1.00 0.00 H new ATOM 338 N LYS A 22 63.513 2.851 7.516 1.00 0.00 N ATOM 339 CA LYS A 22 62.381 2.577 6.639 1.00 0.00 C ATOM 340 C LYS A 22 61.274 1.862 7.404 1.00 0.00 C ATOM 341 O LYS A 22 60.089 2.111 7.179 1.00 0.00 O ATOM 342 CB LYS A 22 62.831 1.712 5.460 1.00 0.00 C ATOM 343 CG LYS A 22 63.530 2.589 4.419 1.00 0.00 C ATOM 344 CD LYS A 22 63.802 1.768 3.157 1.00 0.00 C ATOM 345 CE LYS A 22 64.587 2.616 2.155 1.00 0.00 C ATOM 346 NZ LYS A 22 63.749 3.765 1.713 1.00 0.00 N ATOM 0 H LYS A 22 64.365 2.341 7.284 1.00 0.00 H new ATOM 0 HA LYS A 22 61.995 3.526 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.508 0.931 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 22 61.971 1.213 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 62.908 3.451 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.466 2.975 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.366 0.870 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.862 1.440 2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.508 2.978 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.874 2.010 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.156 4.181 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.783 3.434 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.721 4.484 2.464 1.00 0.00 H new ATOM 360 N LEU A 23 61.667 0.973 8.311 1.00 0.00 N ATOM 361 CA LEU A 23 60.698 0.230 9.107 1.00 0.00 C ATOM 362 C LEU A 23 59.667 1.177 9.712 1.00 0.00 C ATOM 363 O LEU A 23 58.466 0.912 9.671 1.00 0.00 O ATOM 364 CB LEU A 23 61.413 -0.532 10.224 1.00 0.00 C ATOM 365 CG LEU A 23 61.400 -2.028 9.912 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.357 -2.757 10.858 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.984 -2.575 10.103 1.00 0.00 C ATOM 0 H LEU A 23 62.642 0.751 8.512 1.00 0.00 H new ATOM 0 HA LEU A 23 60.187 -0.479 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.440 -0.179 10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.921 -0.345 11.179 1.00 0.00 H new ATOM 0 HG LEU A 23 61.717 -2.186 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.347 -3.824 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.367 -2.368 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.040 -2.599 11.889 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.973 -3.642 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.668 -2.416 11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.300 -2.057 9.430 1.00 0.00 H new ATOM 379 N PHE A 24 60.146 2.284 10.271 1.00 0.00 N ATOM 380 CA PHE A 24 59.256 3.267 10.879 1.00 0.00 C ATOM 381 C PHE A 24 58.238 3.764 9.859 1.00 0.00 C ATOM 382 O PHE A 24 57.055 3.910 10.168 1.00 0.00 O ATOM 383 CB PHE A 24 60.068 4.449 11.412 1.00 0.00 C ATOM 384 CG PHE A 24 60.464 4.181 12.844 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.417 3.198 13.136 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.878 4.916 13.881 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.785 2.949 14.464 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.246 4.669 15.209 1.00 0.00 C ATOM 389 CZ PHE A 24 61.199 3.686 15.501 1.00 0.00 C ATOM 0 H PHE A 24 61.137 2.522 10.316 1.00 0.00 H new ATOM 0 HA PHE A 24 58.726 2.791 11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.957 4.599 10.799 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.480 5.365 11.351 1.00 0.00 H new ATOM 0 HD1 PHE A 24 61.869 2.631 12.336 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.142 5.674 13.657 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.520 2.190 14.688 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.794 5.237 16.009 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.482 3.496 16.526 1.00 0.00 H new ATOM 399 N GLU A 25 58.705 4.022 8.642 1.00 0.00 N ATOM 400 CA GLU A 25 57.826 4.501 7.582 1.00 0.00 C ATOM 401 C GLU A 25 56.902 3.383 7.113 1.00 0.00 C ATOM 402 O GLU A 25 55.727 3.614 6.823 1.00 0.00 O ATOM 403 CB GLU A 25 58.657 5.009 6.402 1.00 0.00 C ATOM 404 CG GLU A 25 57.736 5.666 5.373 1.00 0.00 C ATOM 405 CD GLU A 25 57.137 6.943 5.951 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.690 7.453 6.911 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.132 7.394 5.424 1.00 0.00 O ATOM 0 H GLU A 25 59.680 3.908 8.366 1.00 0.00 H new ATOM 0 HA GLU A 25 57.222 5.318 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.401 5.726 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 25 59.200 4.183 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.295 5.895 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.940 4.976 5.092 1.00 0.00 H new ATOM 414 N LEU A 26 57.439 2.170 7.042 1.00 0.00 N ATOM 415 CA LEU A 26 56.653 1.021 6.609 1.00 0.00 C ATOM 416 C LEU A 26 55.527 0.741 7.600 1.00 0.00 C ATOM 417 O LEU A 26 54.404 0.430 7.206 1.00 0.00 O ATOM 418 CB LEU A 26 57.550 -0.213 6.491 1.00 0.00 C ATOM 419 CG LEU A 26 58.570 0.001 5.372 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.449 -1.243 5.237 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.834 0.251 4.054 1.00 0.00 C ATOM 0 H LEU A 26 58.409 1.958 7.277 1.00 0.00 H new ATOM 0 HA LEU A 26 56.219 1.247 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.063 -0.394 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.946 -1.096 6.282 1.00 0.00 H new ATOM 0 HG LEU A 26 59.195 0.862 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.176 -1.090 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.973 -1.422 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.826 -2.105 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.560 0.404 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.209 -0.610 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.208 1.138 4.150 1.00 0.00 H new ATOM 433 N MET A 27 55.839 0.856 8.887 1.00 0.00 N ATOM 434 CA MET A 27 54.845 0.617 9.927 1.00 0.00 C ATOM 435 C MET A 27 53.634 1.521 9.727 1.00 0.00 C ATOM 436 O MET A 27 52.497 1.115 9.968 1.00 0.00 O ATOM 437 CB MET A 27 55.458 0.876 11.305 1.00 0.00 C ATOM 438 CG MET A 27 56.149 -0.393 11.804 1.00 0.00 C ATOM 439 SD MET A 27 56.876 -0.083 13.433 1.00 0.00 S ATOM 440 CE MET A 27 58.611 -0.192 12.932 1.00 0.00 C ATOM 0 H MET A 27 56.764 1.111 9.233 1.00 0.00 H new ATOM 0 HA MET A 27 54.522 -0.422 9.864 1.00 0.00 H new ATOM 0 HB2 MET A 27 56.176 1.694 11.247 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.683 1.181 12.008 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.431 -1.211 11.864 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.923 -0.699 11.101 1.00 0.00 H new ATOM 0 HE1 MET A 27 59.227 0.380 13.626 1.00 0.00 H new ATOM 0 HE2 MET A 27 58.928 -1.235 12.941 1.00 0.00 H new ATOM 0 HE3 MET A 27 58.726 0.213 11.927 1.00 0.00 H new ATOM 450 N GLN A 28 53.886 2.749 9.287 1.00 0.00 N ATOM 451 CA GLN A 28 52.809 3.705 9.056 1.00 0.00 C ATOM 452 C GLN A 28 51.848 3.181 7.994 1.00 0.00 C ATOM 453 O GLN A 28 50.631 3.305 8.129 1.00 0.00 O ATOM 454 CB GLN A 28 53.389 5.047 8.606 1.00 0.00 C ATOM 455 CG GLN A 28 52.309 6.126 8.698 1.00 0.00 C ATOM 456 CD GLN A 28 52.919 7.498 8.429 1.00 0.00 C ATOM 457 OE1 GLN A 28 54.138 7.625 8.315 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.139 8.538 8.319 1.00 0.00 N ATOM 0 H GLN A 28 54.820 3.104 9.084 1.00 0.00 H new ATOM 0 HA GLN A 28 52.262 3.842 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.240 5.315 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.757 4.972 7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.518 5.923 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.851 6.110 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.129 8.430 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.539 9.459 8.138 1.00 0.00 H new ATOM 467 N GLY A 29 52.404 2.594 6.939 1.00 0.00 N ATOM 468 CA GLY A 29 51.586 2.053 5.860 1.00 0.00 C ATOM 469 C GLY A 29 51.248 0.589 6.117 1.00 0.00 C ATOM 470 O GLY A 29 50.308 0.046 5.535 1.00 0.00 O ATOM 0 H GLY A 29 53.409 2.481 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.667 2.632 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.117 2.147 4.913 1.00 0.00 H new ATOM 474 N PHE A 30 52.019 -0.045 6.995 1.00 0.00 N ATOM 475 CA PHE A 30 51.792 -1.448 7.325 1.00 0.00 C ATOM 476 C PHE A 30 51.027 -1.571 8.638 1.00 0.00 C ATOM 477 O PHE A 30 51.491 -1.116 9.682 1.00 0.00 O ATOM 478 CB PHE A 30 53.131 -2.179 7.441 1.00 0.00 C ATOM 479 CG PHE A 30 53.640 -2.526 6.062 1.00 0.00 C ATOM 480 CD1 PHE A 30 53.893 -1.509 5.133 1.00 0.00 C ATOM 481 CD2 PHE A 30 53.857 -3.864 5.713 1.00 0.00 C ATOM 482 CE1 PHE A 30 54.364 -1.831 3.856 1.00 0.00 C ATOM 483 CE2 PHE A 30 54.328 -4.185 4.434 1.00 0.00 C ATOM 484 CZ PHE A 30 54.583 -3.169 3.506 1.00 0.00 C ATOM 0 H PHE A 30 52.801 0.386 7.488 1.00 0.00 H new ATOM 0 HA PHE A 30 51.200 -1.899 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.856 -1.551 7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 30 53.012 -3.086 8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 30 53.725 -0.477 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 30 53.661 -4.648 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 30 54.559 -1.047 3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 30 54.495 -5.217 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 54.949 -3.417 2.520 1.00 0.00 H new ATOM 494 N ASP A 31 49.852 -2.190 8.576 1.00 0.00 N ATOM 495 CA ASP A 31 49.031 -2.368 9.769 1.00 0.00 C ATOM 496 C ASP A 31 49.558 -3.522 10.615 1.00 0.00 C ATOM 497 O ASP A 31 49.279 -4.688 10.334 1.00 0.00 O ATOM 498 CB ASP A 31 47.582 -2.647 9.367 1.00 0.00 C ATOM 499 CG ASP A 31 46.697 -2.692 10.608 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.239 -2.649 11.700 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.489 -2.767 10.449 1.00 0.00 O ATOM 0 H ASP A 31 49.450 -2.574 7.721 1.00 0.00 H new ATOM 0 HA ASP A 31 49.075 -1.452 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.229 -1.872 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 31 47.520 -3.594 8.831 1.00 0.00 H new ATOM 506 N ALA A 32 50.319 -3.190 11.653 1.00 0.00 N ATOM 507 CA ALA A 32 50.878 -4.209 12.534 1.00 0.00 C ATOM 508 C ALA A 32 52.042 -3.641 13.339 1.00 0.00 C ATOM 509 O ALA A 32 52.720 -2.712 12.900 1.00 0.00 O ATOM 510 CB ALA A 32 51.361 -5.404 11.709 1.00 0.00 C ATOM 0 H ALA A 32 50.561 -2.231 11.903 1.00 0.00 H new ATOM 0 HA ALA A 32 50.099 -4.534 13.223 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.777 -6.161 12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.522 -5.828 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.128 -5.076 11.008 1.00 0.00 H new ATOM 516 N GLU A 33 52.270 -4.207 14.520 1.00 0.00 N ATOM 517 CA GLU A 33 53.355 -3.750 15.380 1.00 0.00 C ATOM 518 C GLU A 33 54.578 -4.648 15.223 1.00 0.00 C ATOM 519 O GLU A 33 54.466 -5.874 15.248 1.00 0.00 O ATOM 520 CB GLU A 33 52.900 -3.755 16.842 1.00 0.00 C ATOM 521 CG GLU A 33 53.974 -3.100 17.713 1.00 0.00 C ATOM 522 CD GLU A 33 53.459 -2.937 19.139 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.339 -3.346 19.394 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.195 -2.407 19.956 1.00 0.00 O ATOM 0 H GLU A 33 51.722 -4.978 14.901 1.00 0.00 H new ATOM 0 HA GLU A 33 53.624 -2.735 15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.957 -3.217 16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.721 -4.777 17.175 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.878 -3.710 17.711 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.245 -2.128 17.302 1.00 0.00 H new ATOM 531 N VAL A 34 55.743 -4.031 15.060 1.00 0.00 N ATOM 532 CA VAL A 34 56.980 -4.786 14.899 1.00 0.00 C ATOM 533 C VAL A 34 57.817 -4.721 16.173 1.00 0.00 C ATOM 534 O VAL A 34 57.915 -3.672 16.811 1.00 0.00 O ATOM 535 CB VAL A 34 57.787 -4.223 13.728 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.054 -5.056 13.532 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.939 -4.279 12.454 1.00 0.00 C ATOM 0 H VAL A 34 55.857 -3.018 15.036 1.00 0.00 H new ATOM 0 HA VAL A 34 56.725 -5.826 14.698 1.00 0.00 H new ATOM 0 HB VAL A 34 58.062 -3.190 13.940 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.628 -4.654 12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.658 -5.019 14.439 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.781 -6.090 13.320 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.512 -3.878 11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.666 -5.313 12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 34 56.035 -3.686 12.592 1.00 0.00 H new ATOM 547 N LEU A 35 58.420 -5.848 16.537 1.00 0.00 N ATOM 548 CA LEU A 35 59.247 -5.908 17.737 1.00 0.00 C ATOM 549 C LEU A 35 60.519 -6.707 17.470 1.00 0.00 C ATOM 550 O LEU A 35 60.463 -7.844 17.003 1.00 0.00 O ATOM 551 CB LEU A 35 58.463 -6.558 18.878 1.00 0.00 C ATOM 552 CG LEU A 35 59.424 -6.940 20.005 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.798 -6.585 21.354 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.699 -8.445 19.951 1.00 0.00 C ATOM 0 H LEU A 35 58.353 -6.726 16.023 1.00 0.00 H new ATOM 0 HA LEU A 35 59.522 -4.892 18.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.704 -5.870 19.250 1.00 0.00 H new ATOM 0 HB3 LEU A 35 57.940 -7.443 18.516 1.00 0.00 H new ATOM 0 HG LEU A 35 60.359 -6.394 19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.484 -6.858 22.156 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.601 -5.514 21.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 57.862 -7.130 21.476 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.384 -8.719 20.754 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.763 -8.990 20.071 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.146 -8.699 18.990 1.00 0.00 H new ATOM 566 N LEU A 36 61.665 -6.103 17.772 1.00 0.00 N ATOM 567 CA LEU A 36 62.945 -6.769 17.561 1.00 0.00 C ATOM 568 C LEU A 36 63.555 -7.197 18.892 1.00 0.00 C ATOM 569 O LEU A 36 63.281 -6.598 19.932 1.00 0.00 O ATOM 570 CB LEU A 36 63.910 -5.827 16.837 1.00 0.00 C ATOM 571 CG LEU A 36 63.793 -6.038 15.326 1.00 0.00 C ATOM 572 CD1 LEU A 36 62.328 -5.913 14.904 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.625 -4.979 14.599 1.00 0.00 C ATOM 0 H LEU A 36 61.733 -5.162 18.160 1.00 0.00 H new ATOM 0 HA LEU A 36 62.774 -7.656 16.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.681 -4.791 17.089 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.933 -6.016 17.163 1.00 0.00 H new ATOM 0 HG LEU A 36 64.161 -7.031 15.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.245 -6.063 13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.735 -6.666 15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 36 61.959 -4.920 15.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 64.543 -5.128 13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 36 64.256 -3.986 14.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 65.669 -5.068 14.899 1.00 0.00 H new ATOM 585 N ARG A 37 64.380 -8.237 18.851 1.00 0.00 N ATOM 586 CA ARG A 37 65.023 -8.739 20.061 1.00 0.00 C ATOM 587 C ARG A 37 66.406 -9.297 19.739 1.00 0.00 C ATOM 588 O ARG A 37 66.570 -10.071 18.797 1.00 0.00 O ATOM 589 CB ARG A 37 64.163 -9.835 20.694 1.00 0.00 C ATOM 590 CG ARG A 37 62.982 -9.197 21.429 1.00 0.00 C ATOM 591 CD ARG A 37 61.941 -10.270 21.751 1.00 0.00 C ATOM 592 NE ARG A 37 61.361 -10.796 20.521 1.00 0.00 N ATOM 593 CZ ARG A 37 60.543 -11.844 20.540 1.00 0.00 C ATOM 594 NH1 ARG A 37 60.035 -12.295 19.425 1.00 0.00 N ATOM 595 NH2 ARG A 37 60.247 -12.420 21.672 1.00 0.00 N ATOM 0 H ARG A 37 64.619 -8.746 18.000 1.00 0.00 H new ATOM 0 HA ARG A 37 65.131 -7.912 20.763 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.801 -10.517 19.925 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.761 -10.426 21.388 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.326 -8.722 22.348 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.536 -8.416 20.813 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.404 -11.078 22.317 1.00 0.00 H new ATOM 0 HD3 ARG A 37 61.157 -9.849 22.380 1.00 0.00 H new ATOM 0 HE ARG A 37 61.587 -10.352 19.631 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.266 -11.843 18.540 1.00 0.00 H new ATOM 0 HH12 ARG A 37 59.407 -13.099 19.439 1.00 0.00 H new ATOM 0 HH21 ARG A 37 60.643 -12.067 22.543 1.00 0.00 H new ATOM 0 HH22 ARG A 37 59.619 -13.224 21.686 1.00 0.00 H new ATOM 609 N ASN A 38 67.397 -8.898 20.529 1.00 0.00 N ATOM 610 CA ASN A 38 68.763 -9.365 20.320 1.00 0.00 C ATOM 611 C ASN A 38 68.993 -10.690 21.039 1.00 0.00 C ATOM 612 O ASN A 38 68.300 -11.012 22.004 1.00 0.00 O ATOM 613 CB ASN A 38 69.756 -8.323 20.836 1.00 0.00 C ATOM 614 CG ASN A 38 71.026 -8.350 19.991 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.241 -9.285 19.221 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.885 -7.373 20.091 1.00 0.00 N ATOM 0 H ASN A 38 67.282 -8.257 21.314 1.00 0.00 H new ATOM 0 HA ASN A 38 68.916 -9.514 19.251 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.306 -7.331 20.800 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.999 -8.525 21.879 1.00 0.00 H new ATOM 0 HD21 ASN A 38 72.737 -7.383 19.530 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.705 -6.599 20.730 1.00 0.00 H new ATOM 623 N ASP A 39 69.970 -11.454 20.562 1.00 0.00 N ATOM 624 CA ASP A 39 70.283 -12.744 21.168 1.00 0.00 C ATOM 625 C ASP A 39 70.526 -12.587 22.665 1.00 0.00 C ATOM 626 O ASP A 39 70.155 -13.452 23.459 1.00 0.00 O ATOM 627 CB ASP A 39 71.525 -13.345 20.508 1.00 0.00 C ATOM 628 CG ASP A 39 71.799 -14.732 21.076 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.266 -15.688 20.536 1.00 0.00 O ATOM 630 OD2 ASP A 39 72.537 -14.821 22.043 1.00 0.00 O ATOM 0 H ASP A 39 70.555 -11.206 19.764 1.00 0.00 H new ATOM 0 HA ASP A 39 69.434 -13.410 21.017 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.379 -13.407 19.430 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.386 -12.698 20.677 1.00 0.00 H new ATOM 635 N GLU A 40 71.152 -11.477 23.045 1.00 0.00 N ATOM 636 CA GLU A 40 71.440 -11.217 24.451 1.00 0.00 C ATOM 637 C GLU A 40 70.145 -11.039 25.238 1.00 0.00 C ATOM 638 O GLU A 40 70.163 -10.925 26.464 1.00 0.00 O ATOM 639 CB GLU A 40 72.297 -9.956 24.584 1.00 0.00 C ATOM 640 CG GLU A 40 73.644 -10.180 23.893 1.00 0.00 C ATOM 641 CD GLU A 40 74.463 -8.894 23.920 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.933 -7.886 24.358 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.609 -8.937 23.504 1.00 0.00 O ATOM 0 H GLU A 40 71.467 -10.749 22.404 1.00 0.00 H new ATOM 0 HA GLU A 40 71.984 -12.070 24.855 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.783 -9.105 24.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.451 -9.717 25.636 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.190 -10.980 24.393 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.485 -10.498 22.863 1.00 0.00 H new ATOM 650 N GLY A 41 69.024 -11.016 24.526 1.00 0.00 N ATOM 651 CA GLY A 41 67.725 -10.851 25.168 1.00 0.00 C ATOM 652 C GLY A 41 67.378 -9.374 25.322 1.00 0.00 C ATOM 653 O GLY A 41 66.512 -9.010 26.118 1.00 0.00 O ATOM 0 H GLY A 41 68.988 -11.109 23.511 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.957 -11.349 24.577 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.735 -11.330 26.147 1.00 0.00 H new ATOM 657 N THR A 42 68.057 -8.528 24.554 1.00 0.00 N ATOM 658 CA THR A 42 67.811 -7.092 24.614 1.00 0.00 C ATOM 659 C THR A 42 66.619 -6.716 23.741 1.00 0.00 C ATOM 660 O THR A 42 66.691 -6.780 22.514 1.00 0.00 O ATOM 661 CB THR A 42 69.052 -6.330 24.143 1.00 0.00 C ATOM 662 OG1 THR A 42 70.088 -6.473 25.105 1.00 0.00 O ATOM 663 CG2 THR A 42 68.710 -4.848 23.975 1.00 0.00 C ATOM 0 H THR A 42 68.776 -8.809 23.888 1.00 0.00 H new ATOM 0 HA THR A 42 67.589 -6.823 25.647 1.00 0.00 H new ATOM 0 HB THR A 42 69.385 -6.734 23.187 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.884 -5.987 24.804 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.594 -4.306 23.640 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.916 -4.739 23.236 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.376 -4.441 24.929 1.00 0.00 H new ATOM 671 N GLU A 43 65.523 -6.324 24.383 1.00 0.00 N ATOM 672 CA GLU A 43 64.319 -5.940 23.654 1.00 0.00 C ATOM 673 C GLU A 43 64.529 -4.611 22.936 1.00 0.00 C ATOM 674 O GLU A 43 64.533 -3.551 23.562 1.00 0.00 O ATOM 675 CB GLU A 43 63.140 -5.821 24.621 1.00 0.00 C ATOM 676 CG GLU A 43 62.738 -7.212 25.112 1.00 0.00 C ATOM 677 CD GLU A 43 61.702 -7.093 26.225 1.00 0.00 C ATOM 678 OE1 GLU A 43 61.518 -5.995 26.721 1.00 0.00 O ATOM 679 OE2 GLU A 43 61.109 -8.104 26.565 1.00 0.00 O ATOM 0 H GLU A 43 65.443 -6.264 25.398 1.00 0.00 H new ATOM 0 HA GLU A 43 64.104 -6.709 22.913 1.00 0.00 H new ATOM 0 HB2 GLU A 43 63.413 -5.190 25.467 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.296 -5.341 24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.331 -7.795 24.286 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.616 -7.746 25.476 1.00 0.00 H new ATOM 686 N ALA A 44 64.701 -4.676 21.620 1.00 0.00 N ATOM 687 CA ALA A 44 64.910 -3.470 20.827 1.00 0.00 C ATOM 688 C ALA A 44 63.620 -3.060 20.125 1.00 0.00 C ATOM 689 O ALA A 44 63.490 -3.202 18.909 1.00 0.00 O ATOM 690 CB ALA A 44 66.004 -3.713 19.784 1.00 0.00 C ATOM 0 H ALA A 44 64.700 -5.543 21.083 1.00 0.00 H new ATOM 0 HA ALA A 44 65.218 -2.667 21.497 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.154 -2.807 19.196 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.934 -3.977 20.287 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.704 -4.528 19.125 1.00 0.00 H new ATOM 696 N GLU A 45 62.667 -2.550 20.900 1.00 0.00 N ATOM 697 CA GLU A 45 61.390 -2.122 20.341 1.00 0.00 C ATOM 698 C GLU A 45 61.597 -1.434 18.997 1.00 0.00 C ATOM 699 O GLU A 45 62.295 -0.423 18.906 1.00 0.00 O ATOM 700 CB GLU A 45 60.697 -1.141 21.292 1.00 0.00 C ATOM 701 CG GLU A 45 60.110 -1.877 22.495 1.00 0.00 C ATOM 702 CD GLU A 45 61.207 -2.210 23.504 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.912 -2.916 24.455 1.00 0.00 O ATOM 704 OE2 GLU A 45 62.324 -1.758 23.313 1.00 0.00 O ATOM 0 H GLU A 45 62.754 -2.424 21.908 1.00 0.00 H new ATOM 0 HA GLU A 45 60.769 -3.008 20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.411 -0.391 21.632 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.905 -0.611 20.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.346 -1.260 22.969 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.620 -2.793 22.165 1.00 0.00 H new ATOM 711 N ALA A 46 60.987 -1.987 17.954 1.00 0.00 N ATOM 712 CA ALA A 46 61.112 -1.417 16.617 1.00 0.00 C ATOM 713 C ALA A 46 60.628 0.029 16.605 1.00 0.00 C ATOM 714 O ALA A 46 60.905 0.778 15.667 1.00 0.00 O ATOM 715 CB ALA A 46 60.293 -2.239 15.620 1.00 0.00 C ATOM 0 H ALA A 46 60.405 -2.823 18.007 1.00 0.00 H new ATOM 0 HA ALA A 46 62.163 -1.440 16.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.392 -1.807 14.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.659 -3.266 15.608 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.244 -2.231 15.917 1.00 0.00 H new ATOM 721 N ASN A 47 59.905 0.416 17.650 1.00 0.00 N ATOM 722 CA ASN A 47 59.389 1.776 17.750 1.00 0.00 C ATOM 723 C ASN A 47 60.197 2.583 18.761 1.00 0.00 C ATOM 724 O ASN A 47 59.632 3.279 19.607 1.00 0.00 O ATOM 725 CB ASN A 47 57.920 1.748 18.173 1.00 0.00 C ATOM 726 CG ASN A 47 57.379 3.169 18.278 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.349 3.744 19.366 1.00 0.00 O ATOM 728 ND2 ASN A 47 56.948 3.774 17.205 1.00 0.00 N ATOM 0 H ASN A 47 59.664 -0.189 18.435 1.00 0.00 H new ATOM 0 HA ASN A 47 59.476 2.250 16.772 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.336 1.180 17.449 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.819 1.240 19.132 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.585 4.725 17.267 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.974 3.296 16.305 1.00 0.00 H new ATOM 735 N SER A 48 61.518 2.486 18.670 1.00 0.00 N ATOM 736 CA SER A 48 62.392 3.212 19.584 1.00 0.00 C ATOM 737 C SER A 48 63.774 3.404 18.966 1.00 0.00 C ATOM 738 O SER A 48 64.454 2.435 18.627 1.00 0.00 O ATOM 739 CB SER A 48 62.523 2.445 20.900 1.00 0.00 C ATOM 740 OG SER A 48 63.745 2.802 21.532 1.00 0.00 O ATOM 0 H SER A 48 62.005 1.916 17.978 1.00 0.00 H new ATOM 0 HA SER A 48 61.953 4.191 19.776 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.682 2.675 21.554 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.497 1.372 20.713 1.00 0.00 H new ATOM 0 HG SER A 48 63.831 2.313 22.377 1.00 0.00 H new ATOM 746 N VAL A 49 64.183 4.661 18.825 1.00 0.00 N ATOM 747 CA VAL A 49 65.488 4.967 18.248 1.00 0.00 C ATOM 748 C VAL A 49 66.605 4.445 19.144 1.00 0.00 C ATOM 749 O VAL A 49 67.657 4.025 18.661 1.00 0.00 O ATOM 750 CB VAL A 49 65.638 6.479 18.071 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.865 6.928 16.830 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.079 7.194 19.304 1.00 0.00 C ATOM 0 H VAL A 49 63.636 5.477 19.099 1.00 0.00 H new ATOM 0 HA VAL A 49 65.559 4.478 17.276 1.00 0.00 H new ATOM 0 HB VAL A 49 66.693 6.727 17.952 1.00 0.00 H new ATOM 0 HG11 VAL A 49 64.972 8.005 16.705 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.261 6.419 15.951 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.810 6.680 16.949 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.185 8.272 19.179 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.025 6.945 19.422 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.629 6.875 20.190 1.00 0.00 H new ATOM 762 N ILE A 50 66.369 4.473 20.452 1.00 0.00 N ATOM 763 CA ILE A 50 67.363 4.000 21.409 1.00 0.00 C ATOM 764 C ILE A 50 67.644 2.515 21.196 1.00 0.00 C ATOM 765 O ILE A 50 68.782 2.065 21.332 1.00 0.00 O ATOM 766 CB ILE A 50 66.862 4.226 22.835 1.00 0.00 C ATOM 767 CG1 ILE A 50 66.786 5.729 23.115 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.829 3.573 23.825 1.00 0.00 C ATOM 769 CD1 ILE A 50 65.950 5.973 24.373 1.00 0.00 C ATOM 0 H ILE A 50 65.505 4.816 20.871 1.00 0.00 H new ATOM 0 HA ILE A 50 68.286 4.560 21.255 1.00 0.00 H new ATOM 0 HB ILE A 50 65.872 3.783 22.947 1.00 0.00 H new ATOM 0 HG12 ILE A 50 67.788 6.136 23.247 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.342 6.246 22.264 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.472 3.734 24.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.886 2.503 23.626 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.818 4.016 23.713 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.896 7.043 24.572 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.944 5.581 24.223 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.413 5.469 25.221 1.00 0.00 H new ATOM 781 N ALA A 51 66.602 1.762 20.862 1.00 0.00 N ATOM 782 CA ALA A 51 66.750 0.329 20.633 1.00 0.00 C ATOM 783 C ALA A 51 67.603 0.069 19.396 1.00 0.00 C ATOM 784 O ALA A 51 68.463 -0.812 19.398 1.00 0.00 O ATOM 785 CB ALA A 51 65.374 -0.315 20.452 1.00 0.00 C ATOM 0 H ALA A 51 65.653 2.116 20.744 1.00 0.00 H new ATOM 0 HA ALA A 51 67.245 -0.109 21.499 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.493 -1.385 20.281 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.776 -0.155 21.349 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.871 0.135 19.596 1.00 0.00 H new ATOM 791 N LEU A 52 67.357 0.839 18.341 1.00 0.00 N ATOM 792 CA LEU A 52 68.109 0.682 17.102 1.00 0.00 C ATOM 793 C LEU A 52 69.603 0.863 17.355 1.00 0.00 C ATOM 794 O LEU A 52 70.429 0.145 16.791 1.00 0.00 O ATOM 795 CB LEU A 52 67.637 1.707 16.070 1.00 0.00 C ATOM 796 CG LEU A 52 68.390 1.494 14.756 1.00 0.00 C ATOM 797 CD1 LEU A 52 68.181 0.057 14.274 1.00 0.00 C ATOM 798 CD2 LEU A 52 67.859 2.467 13.701 1.00 0.00 C ATOM 0 H LEU A 52 66.648 1.572 18.319 1.00 0.00 H new ATOM 0 HA LEU A 52 67.936 -0.324 16.720 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.564 1.606 15.907 1.00 0.00 H new ATOM 0 HB3 LEU A 52 67.810 2.717 16.440 1.00 0.00 H new ATOM 0 HG LEU A 52 69.454 1.673 14.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 68.718 -0.094 13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 52 68.558 -0.637 15.025 1.00 0.00 H new ATOM 0 HD13 LEU A 52 67.118 -0.123 14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.395 2.316 12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.795 2.288 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.008 3.491 14.043 1.00 0.00 H new ATOM 810 N LEU A 53 69.942 1.825 18.206 1.00 0.00 N ATOM 811 CA LEU A 53 71.339 2.091 18.527 1.00 0.00 C ATOM 812 C LEU A 53 71.960 0.899 19.248 1.00 0.00 C ATOM 813 O LEU A 53 73.134 0.587 19.054 1.00 0.00 O ATOM 814 CB LEU A 53 71.444 3.335 19.411 1.00 0.00 C ATOM 815 CG LEU A 53 72.226 4.423 18.672 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.632 3.912 18.349 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.502 4.776 17.371 1.00 0.00 C ATOM 0 H LEU A 53 69.274 2.430 18.683 1.00 0.00 H new ATOM 0 HA LEU A 53 71.880 2.260 17.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.448 3.698 19.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.943 3.087 20.348 1.00 0.00 H new ATOM 0 HG LEU A 53 72.297 5.310 19.302 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.189 4.687 17.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 74.149 3.659 19.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.561 3.025 17.719 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.058 5.551 16.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.431 3.889 16.742 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.500 5.140 17.599 1.00 0.00 H new ATOM 829 N MET A 54 71.162 0.237 20.080 1.00 0.00 N ATOM 830 CA MET A 54 71.644 -0.921 20.826 1.00 0.00 C ATOM 831 C MET A 54 71.915 -2.090 19.884 1.00 0.00 C ATOM 832 O MET A 54 72.878 -2.835 20.066 1.00 0.00 O ATOM 833 CB MET A 54 70.609 -1.336 21.872 1.00 0.00 C ATOM 834 CG MET A 54 71.055 -0.851 23.253 1.00 0.00 C ATOM 835 SD MET A 54 71.289 0.943 23.216 1.00 0.00 S ATOM 836 CE MET A 54 71.427 1.191 25.004 1.00 0.00 C ATOM 0 H MET A 54 70.187 0.480 20.254 1.00 0.00 H new ATOM 0 HA MET A 54 72.574 -0.647 21.324 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.636 -0.913 21.623 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.494 -2.420 21.875 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.308 -1.116 24.002 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.984 -1.344 23.541 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.579 2.250 25.214 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.512 0.852 25.490 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.273 0.620 25.386 1.00 0.00 H new ATOM 846 N LEU A 55 71.059 -2.243 18.879 1.00 0.00 N ATOM 847 CA LEU A 55 71.215 -3.326 17.915 1.00 0.00 C ATOM 848 C LEU A 55 72.508 -3.157 17.122 1.00 0.00 C ATOM 849 O LEU A 55 73.035 -4.119 16.564 1.00 0.00 O ATOM 850 CB LEU A 55 70.024 -3.345 16.954 1.00 0.00 C ATOM 851 CG LEU A 55 68.747 -3.671 17.731 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.542 -3.578 16.794 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.844 -5.090 18.296 1.00 0.00 C ATOM 0 H LEU A 55 70.256 -1.636 18.711 1.00 0.00 H new ATOM 0 HA LEU A 55 71.258 -4.269 18.460 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.926 -2.378 16.461 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.186 -4.087 16.172 1.00 0.00 H new ATOM 0 HG LEU A 55 68.627 -2.960 18.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.632 -3.810 17.347 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.473 -2.568 16.389 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.661 -4.289 15.977 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.935 -5.324 18.850 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.963 -5.800 17.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.703 -5.158 18.963 1.00 0.00 H new ATOM 865 N ASP A 56 73.012 -1.929 17.078 1.00 0.00 N ATOM 866 CA ASP A 56 74.244 -1.646 16.350 1.00 0.00 C ATOM 867 C ASP A 56 75.343 -2.621 16.759 1.00 0.00 C ATOM 868 O ASP A 56 76.147 -3.049 15.931 1.00 0.00 O ATOM 869 CB ASP A 56 74.699 -0.213 16.631 1.00 0.00 C ATOM 870 CG ASP A 56 75.923 0.121 15.783 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.424 -0.774 15.123 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.340 1.267 15.805 1.00 0.00 O ATOM 0 H ASP A 56 72.591 -1.119 17.534 1.00 0.00 H new ATOM 0 HA ASP A 56 74.049 -1.762 15.284 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.891 0.484 16.409 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.937 -0.099 17.689 1.00 0.00 H new ATOM 877 N SER A 57 75.373 -2.966 18.043 1.00 0.00 N ATOM 878 CA SER A 57 76.379 -3.892 18.551 1.00 0.00 C ATOM 879 C SER A 57 76.032 -5.326 18.164 1.00 0.00 C ATOM 880 O SER A 57 76.814 -6.247 18.393 1.00 0.00 O ATOM 881 CB SER A 57 76.470 -3.780 20.073 1.00 0.00 C ATOM 882 OG SER A 57 75.246 -4.218 20.649 1.00 0.00 O ATOM 0 H SER A 57 74.718 -2.622 18.745 1.00 0.00 H new ATOM 0 HA SER A 57 77.341 -3.632 18.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.297 -4.384 20.445 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.673 -2.749 20.362 1.00 0.00 H new ATOM 0 HG SER A 57 74.525 -3.607 20.390 1.00 0.00 H new ATOM 888 N ALA A 58 74.853 -5.506 17.576 1.00 0.00 N ATOM 889 CA ALA A 58 74.413 -6.832 17.161 1.00 0.00 C ATOM 890 C ALA A 58 75.092 -7.239 15.858 1.00 0.00 C ATOM 891 O ALA A 58 74.521 -7.977 15.054 1.00 0.00 O ATOM 892 CB ALA A 58 72.895 -6.843 16.973 1.00 0.00 C ATOM 0 H ALA A 58 74.190 -4.756 17.378 1.00 0.00 H new ATOM 0 HA ALA A 58 74.688 -7.545 17.938 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.574 -7.837 16.663 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.410 -6.582 17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.618 -6.117 16.208 1.00 0.00 H new ATOM 898 N LYS A 59 76.312 -6.753 15.655 1.00 0.00 N ATOM 899 CA LYS A 59 77.059 -7.074 14.444 1.00 0.00 C ATOM 900 C LYS A 59 77.581 -8.506 14.501 1.00 0.00 C ATOM 901 O LYS A 59 78.634 -8.770 15.079 1.00 0.00 O ATOM 902 CB LYS A 59 78.234 -6.106 14.284 1.00 0.00 C ATOM 903 CG LYS A 59 78.952 -6.389 12.964 1.00 0.00 C ATOM 904 CD LYS A 59 80.083 -5.376 12.770 1.00 0.00 C ATOM 905 CE LYS A 59 80.790 -5.649 11.441 1.00 0.00 C ATOM 906 NZ LYS A 59 81.447 -6.986 11.493 1.00 0.00 N ATOM 0 H LYS A 59 76.801 -6.140 16.307 1.00 0.00 H new ATOM 0 HA LYS A 59 76.390 -6.977 13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.876 -5.077 14.302 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.927 -6.217 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.354 -7.402 12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.248 -6.327 12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.683 -4.362 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.794 -5.446 13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.072 -5.616 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.532 -4.875 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.187 -7.038 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.874 -7.127 12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.739 -7.728 11.320 1.00 0.00 H new ATOM 920 N GLY A 60 76.836 -9.425 13.896 1.00 0.00 N ATOM 921 CA GLY A 60 77.235 -10.828 13.884 1.00 0.00 C ATOM 922 C GLY A 60 76.430 -11.631 14.899 1.00 0.00 C ATOM 923 O GLY A 60 76.678 -12.820 15.103 1.00 0.00 O ATOM 0 H GLY A 60 75.961 -9.227 13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.088 -11.243 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.298 -10.910 14.110 1.00 0.00 H new ATOM 927 N ARG A 61 75.466 -10.975 15.536 1.00 0.00 N ATOM 928 CA ARG A 61 74.630 -11.638 16.530 1.00 0.00 C ATOM 929 C ARG A 61 73.284 -12.023 15.927 1.00 0.00 C ATOM 930 O ARG A 61 72.944 -11.600 14.823 1.00 0.00 O ATOM 931 CB ARG A 61 74.410 -10.712 17.729 1.00 0.00 C ATOM 932 CG ARG A 61 75.759 -10.367 18.363 1.00 0.00 C ATOM 933 CD ARG A 61 75.533 -9.808 19.769 1.00 0.00 C ATOM 934 NE ARG A 61 76.786 -9.306 20.319 1.00 0.00 N ATOM 935 CZ ARG A 61 77.665 -10.126 20.887 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.780 -9.653 21.372 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.413 -11.404 20.959 1.00 0.00 N ATOM 0 H ARG A 61 75.245 -9.991 15.383 1.00 0.00 H new ATOM 0 HA ARG A 61 75.139 -12.544 16.860 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.903 -9.801 17.410 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.765 -11.196 18.462 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.389 -11.255 18.410 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.285 -9.636 17.749 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.795 -9.006 19.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.129 -10.586 20.417 1.00 0.00 H new ATOM 0 HE ARG A 61 76.992 -8.308 20.267 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.978 -8.654 21.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.454 -10.282 21.808 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.542 -11.774 20.579 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.087 -12.033 21.395 1.00 0.00 H new ATOM 951 N GLN A 62 72.521 -12.827 16.661 1.00 0.00 N ATOM 952 CA GLN A 62 71.211 -13.263 16.188 1.00 0.00 C ATOM 953 C GLN A 62 70.105 -12.453 16.856 1.00 0.00 C ATOM 954 O GLN A 62 70.203 -12.102 18.032 1.00 0.00 O ATOM 955 CB GLN A 62 71.014 -14.749 16.491 1.00 0.00 C ATOM 956 CG GLN A 62 71.908 -15.581 15.569 1.00 0.00 C ATOM 957 CD GLN A 62 71.768 -17.062 15.904 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.886 -17.450 17.067 1.00 0.00 O ATOM 959 NE2 GLN A 62 71.524 -17.917 14.950 1.00 0.00 N ATOM 0 H GLN A 62 72.784 -13.188 17.578 1.00 0.00 H new ATOM 0 HA GLN A 62 71.162 -13.104 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.258 -14.954 17.533 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.969 -15.025 16.348 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.633 -15.407 14.529 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.947 -15.271 15.680 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.427 -17.593 13.988 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.430 -18.909 15.166 1.00 0.00 H new ATOM 968 N ILE A 63 69.052 -12.161 16.100 1.00 0.00 N ATOM 969 CA ILE A 63 67.932 -11.393 16.631 1.00 0.00 C ATOM 970 C ILE A 63 66.607 -12.058 16.274 1.00 0.00 C ATOM 971 O ILE A 63 66.531 -12.845 15.331 1.00 0.00 O ATOM 972 CB ILE A 63 67.960 -9.972 16.065 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.644 -10.014 14.567 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.349 -9.365 16.274 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.765 -8.607 13.979 1.00 0.00 C ATOM 0 H ILE A 63 68.951 -12.442 15.125 1.00 0.00 H new ATOM 0 HA ILE A 63 68.024 -11.355 17.716 1.00 0.00 H new ATOM 0 HB ILE A 63 67.216 -9.363 16.578 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.330 -10.692 14.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.637 -10.401 14.408 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.368 -8.353 15.870 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.576 -9.335 17.340 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.093 -9.974 15.761 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.540 -8.638 12.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.061 -7.942 14.479 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.780 -8.238 14.125 1.00 0.00 H new ATOM 987 N GLU A 64 65.566 -11.736 17.035 1.00 0.00 N ATOM 988 CA GLU A 64 64.247 -12.309 16.789 1.00 0.00 C ATOM 989 C GLU A 64 63.247 -11.215 16.428 1.00 0.00 C ATOM 990 O GLU A 64 62.782 -10.475 17.296 1.00 0.00 O ATOM 991 CB GLU A 64 63.762 -13.056 18.033 1.00 0.00 C ATOM 992 CG GLU A 64 64.958 -13.678 18.755 1.00 0.00 C ATOM 993 CD GLU A 64 64.476 -14.555 19.905 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.924 -15.608 19.631 1.00 0.00 O ATOM 995 OE2 GLU A 64 64.663 -14.160 21.044 1.00 0.00 O ATOM 0 H GLU A 64 65.609 -11.087 17.821 1.00 0.00 H new ATOM 0 HA GLU A 64 64.324 -13.006 15.954 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.238 -12.371 18.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.051 -13.832 17.750 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.546 -14.272 18.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.612 -12.893 19.135 1.00 0.00 H new ATOM 1002 N VAL A 65 62.919 -11.120 15.144 1.00 0.00 N ATOM 1003 CA VAL A 65 61.972 -10.113 14.681 1.00 0.00 C ATOM 1004 C VAL A 65 60.540 -10.623 14.814 1.00 0.00 C ATOM 1005 O VAL A 65 60.207 -11.700 14.320 1.00 0.00 O ATOM 1006 CB VAL A 65 62.257 -9.761 13.220 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.425 -8.542 12.816 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.744 -9.439 13.055 1.00 0.00 C ATOM 0 H VAL A 65 63.292 -11.723 14.411 1.00 0.00 H new ATOM 0 HA VAL A 65 62.087 -9.222 15.298 1.00 0.00 H new ATOM 0 HB VAL A 65 61.994 -10.607 12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.628 -8.292 11.775 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.366 -8.769 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.688 -7.696 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.949 -9.188 12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 65 64.006 -8.593 13.691 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.338 -10.306 13.343 1.00 0.00 H new ATOM 1018 N GLU A 66 59.699 -9.842 15.483 1.00 0.00 N ATOM 1019 CA GLU A 66 58.305 -10.226 15.674 1.00 0.00 C ATOM 1020 C GLU A 66 57.372 -9.137 15.153 1.00 0.00 C ATOM 1021 O GLU A 66 57.630 -7.947 15.333 1.00 0.00 O ATOM 1022 CB GLU A 66 58.029 -10.469 17.160 1.00 0.00 C ATOM 1023 CG GLU A 66 56.552 -10.815 17.356 1.00 0.00 C ATOM 1024 CD GLU A 66 56.307 -11.259 18.794 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.248 -11.232 19.570 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.182 -11.621 19.097 1.00 0.00 O ATOM 0 H GLU A 66 59.955 -8.947 15.899 1.00 0.00 H new ATOM 0 HA GLU A 66 58.121 -11.144 15.115 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.656 -11.281 17.529 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.285 -9.581 17.738 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.933 -9.948 17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.261 -11.608 16.667 1.00 0.00 H new ATOM 1033 N ALA A 67 56.287 -9.554 14.509 1.00 0.00 N ATOM 1034 CA ALA A 67 55.321 -8.606 13.967 1.00 0.00 C ATOM 1035 C ALA A 67 53.897 -9.068 14.255 1.00 0.00 C ATOM 1036 O ALA A 67 53.562 -10.238 14.063 1.00 0.00 O ATOM 1037 CB ALA A 67 55.518 -8.467 12.455 1.00 0.00 C ATOM 0 H ALA A 67 56.056 -10.535 14.350 1.00 0.00 H new ATOM 0 HA ALA A 67 55.481 -7.640 14.445 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.793 -7.757 12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.527 -8.108 12.251 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.375 -9.437 11.979 1.00 0.00 H new ATOM 1043 N THR A 68 53.061 -8.144 14.718 1.00 0.00 N ATOM 1044 CA THR A 68 51.674 -8.469 15.030 1.00 0.00 C ATOM 1045 C THR A 68 50.725 -7.512 14.316 1.00 0.00 C ATOM 1046 O THR A 68 50.891 -6.294 14.384 1.00 0.00 O ATOM 1047 CB THR A 68 51.446 -8.386 16.541 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.399 -9.204 17.207 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.035 -8.871 16.873 1.00 0.00 C ATOM 0 H THR A 68 53.317 -7.171 14.884 1.00 0.00 H new ATOM 0 HA THR A 68 51.472 -9.484 14.687 1.00 0.00 H new ATOM 0 HB THR A 68 51.559 -7.353 16.870 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.256 -9.151 18.175 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.874 -8.812 17.949 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.305 -8.244 16.361 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.919 -9.904 16.545 1.00 0.00 H new ATOM 1057 N GLY A 69 49.731 -8.071 13.635 1.00 0.00 N ATOM 1058 CA GLY A 69 48.759 -7.258 12.913 1.00 0.00 C ATOM 1059 C GLY A 69 48.430 -7.875 11.559 1.00 0.00 C ATOM 1060 O GLY A 69 49.105 -8.800 11.105 1.00 0.00 O ATOM 0 H GLY A 69 49.577 -9.077 13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.848 -7.163 13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.154 -6.252 12.772 1.00 0.00 H new ATOM 1064 N PRO A 70 47.409 -7.381 10.915 1.00 0.00 N ATOM 1065 CA PRO A 70 46.971 -7.887 9.582 1.00 0.00 C ATOM 1066 C PRO A 70 48.137 -8.020 8.606 1.00 0.00 C ATOM 1067 O PRO A 70 48.226 -8.995 7.858 1.00 0.00 O ATOM 1068 CB PRO A 70 45.974 -6.831 9.102 1.00 0.00 C ATOM 1069 CG PRO A 70 45.449 -6.185 10.342 1.00 0.00 C ATOM 1070 CD PRO A 70 46.557 -6.281 11.393 1.00 0.00 C ATOM 0 HA PRO A 70 46.541 -8.886 9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.458 -6.101 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.169 -7.285 8.525 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.184 -5.145 10.153 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.545 -6.687 10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.116 -5.348 11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.151 -6.492 12.382 1.00 0.00 H new ATOM 1078 N GLN A 71 49.029 -7.034 8.620 1.00 0.00 N ATOM 1079 CA GLN A 71 50.184 -7.052 7.732 1.00 0.00 C ATOM 1080 C GLN A 71 51.431 -7.510 8.483 1.00 0.00 C ATOM 1081 O GLN A 71 52.556 -7.239 8.063 1.00 0.00 O ATOM 1082 CB GLN A 71 50.421 -5.655 7.154 1.00 0.00 C ATOM 1083 CG GLN A 71 49.347 -5.347 6.108 1.00 0.00 C ATOM 1084 CD GLN A 71 49.512 -3.920 5.597 1.00 0.00 C ATOM 1085 OE1 GLN A 71 49.207 -2.965 6.311 1.00 0.00 O ATOM 1086 NE2 GLN A 71 49.978 -3.716 4.395 1.00 0.00 N ATOM 0 H GLN A 71 48.974 -6.219 9.231 1.00 0.00 H new ATOM 0 HA GLN A 71 49.983 -7.752 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.393 -4.911 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.411 -5.600 6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 71 49.423 -6.050 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.356 -5.474 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 71 50.230 -4.509 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 71 50.090 -2.764 4.046 1.00 0.00 H new ATOM 1095 N GLU A 72 51.221 -8.206 9.595 1.00 0.00 N ATOM 1096 CA GLU A 72 52.336 -8.698 10.399 1.00 0.00 C ATOM 1097 C GLU A 72 53.307 -9.496 9.534 1.00 0.00 C ATOM 1098 O GLU A 72 54.521 -9.313 9.618 1.00 0.00 O ATOM 1099 CB GLU A 72 51.812 -9.583 11.532 1.00 0.00 C ATOM 1100 CG GLU A 72 51.133 -10.819 10.942 1.00 0.00 C ATOM 1101 CD GLU A 72 50.373 -11.566 12.033 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.339 -11.072 13.148 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.836 -12.621 11.737 1.00 0.00 O ATOM 0 H GLU A 72 50.298 -8.441 9.959 1.00 0.00 H new ATOM 0 HA GLU A 72 52.862 -7.842 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.633 -9.882 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.105 -9.025 12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.448 -10.524 10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 72 51.879 -11.475 10.493 1.00 0.00 H new ATOM 1110 N GLU A 73 52.763 -10.383 8.706 1.00 0.00 N ATOM 1111 CA GLU A 73 53.592 -11.204 7.832 1.00 0.00 C ATOM 1112 C GLU A 73 54.254 -10.346 6.758 1.00 0.00 C ATOM 1113 O GLU A 73 55.400 -10.585 6.378 1.00 0.00 O ATOM 1114 CB GLU A 73 52.739 -12.286 7.168 1.00 0.00 C ATOM 1115 CG GLU A 73 51.603 -11.630 6.380 1.00 0.00 C ATOM 1116 CD GLU A 73 50.649 -12.696 5.854 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.909 -13.865 6.091 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.673 -12.330 5.221 1.00 0.00 O ATOM 0 H GLU A 73 51.760 -10.550 8.622 1.00 0.00 H new ATOM 0 HA GLU A 73 54.369 -11.673 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 73 53.354 -12.892 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 52.331 -12.957 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 51.063 -10.931 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 73 52.011 -11.054 5.550 1.00 0.00 H new ATOM 1125 N GLU A 74 53.525 -9.346 6.273 1.00 0.00 N ATOM 1126 CA GLU A 74 54.051 -8.459 5.244 1.00 0.00 C ATOM 1127 C GLU A 74 55.235 -7.660 5.779 1.00 0.00 C ATOM 1128 O GLU A 74 56.303 -7.630 5.168 1.00 0.00 O ATOM 1129 CB GLU A 74 52.957 -7.499 4.770 1.00 0.00 C ATOM 1130 CG GLU A 74 51.707 -8.296 4.394 1.00 0.00 C ATOM 1131 CD GLU A 74 50.744 -7.414 3.608 1.00 0.00 C ATOM 1132 OE1 GLU A 74 50.999 -6.224 3.518 1.00 0.00 O ATOM 1133 OE2 GLU A 74 49.764 -7.941 3.104 1.00 0.00 O ATOM 0 H GLU A 74 52.574 -9.131 6.574 1.00 0.00 H new ATOM 0 HA GLU A 74 54.387 -9.068 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.721 -6.782 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.308 -6.926 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 74 51.985 -9.165 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.219 -8.669 5.294 1.00 0.00 H new ATOM 1140 N ALA A 75 55.037 -7.013 6.923 1.00 0.00 N ATOM 1141 CA ALA A 75 56.097 -6.217 7.531 1.00 0.00 C ATOM 1142 C ALA A 75 57.352 -7.060 7.730 1.00 0.00 C ATOM 1143 O ALA A 75 58.463 -6.613 7.447 1.00 0.00 O ATOM 1144 CB ALA A 75 55.629 -5.668 8.881 1.00 0.00 C ATOM 0 H ALA A 75 54.160 -7.024 7.444 1.00 0.00 H new ATOM 0 HA ALA A 75 56.332 -5.388 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.426 -5.075 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.749 -5.041 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.378 -6.496 9.543 1.00 0.00 H new ATOM 1150 N LEU A 76 57.167 -8.281 8.219 1.00 0.00 N ATOM 1151 CA LEU A 76 58.292 -9.180 8.451 1.00 0.00 C ATOM 1152 C LEU A 76 59.005 -9.494 7.140 1.00 0.00 C ATOM 1153 O LEU A 76 60.234 -9.467 7.068 1.00 0.00 O ATOM 1154 CB LEU A 76 57.800 -10.480 9.090 1.00 0.00 C ATOM 1155 CG LEU A 76 58.998 -11.297 9.575 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.189 -11.081 11.078 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.747 -12.781 9.302 1.00 0.00 C ATOM 0 H LEU A 76 56.255 -8.669 8.461 1.00 0.00 H new ATOM 0 HA LEU A 76 58.993 -8.687 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.136 -10.258 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 76 57.222 -11.056 8.368 1.00 0.00 H new ATOM 0 HG LEU A 76 59.895 -10.976 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.043 -11.663 11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 76 59.368 -10.024 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 76 58.292 -11.402 11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.601 -13.364 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.850 -13.102 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 76 58.611 -12.936 8.232 1.00 0.00 H new ATOM 1169 N ALA A 77 58.226 -9.789 6.103 1.00 0.00 N ATOM 1170 CA ALA A 77 58.795 -10.105 4.799 1.00 0.00 C ATOM 1171 C ALA A 77 59.622 -8.934 4.278 1.00 0.00 C ATOM 1172 O ALA A 77 60.717 -9.122 3.748 1.00 0.00 O ATOM 1173 CB ALA A 77 57.678 -10.426 3.805 1.00 0.00 C ATOM 0 H ALA A 77 57.207 -9.816 6.140 1.00 0.00 H new ATOM 0 HA ALA A 77 59.444 -10.974 4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.112 -10.661 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.107 -11.282 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.018 -9.564 3.709 1.00 0.00 H new ATOM 1179 N ALA A 78 59.090 -7.726 4.433 1.00 0.00 N ATOM 1180 CA ALA A 78 59.789 -6.531 3.975 1.00 0.00 C ATOM 1181 C ALA A 78 61.116 -6.373 4.710 1.00 0.00 C ATOM 1182 O ALA A 78 62.144 -6.076 4.100 1.00 0.00 O ATOM 1183 CB ALA A 78 58.921 -5.294 4.214 1.00 0.00 C ATOM 0 H ALA A 78 58.185 -7.549 4.868 1.00 0.00 H new ATOM 0 HA ALA A 78 59.987 -6.635 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.450 -4.406 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 78 57.985 -5.395 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.708 -5.199 5.279 1.00 0.00 H new ATOM 1189 N VAL A 79 61.087 -6.575 6.024 1.00 0.00 N ATOM 1190 CA VAL A 79 62.295 -6.453 6.832 1.00 0.00 C ATOM 1191 C VAL A 79 63.288 -7.554 6.476 1.00 0.00 C ATOM 1192 O VAL A 79 64.482 -7.298 6.318 1.00 0.00 O ATOM 1193 CB VAL A 79 61.940 -6.542 8.317 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.207 -6.369 9.156 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.942 -5.438 8.669 1.00 0.00 C ATOM 0 H VAL A 79 60.247 -6.822 6.548 1.00 0.00 H new ATOM 0 HA VAL A 79 62.753 -5.486 6.627 1.00 0.00 H new ATOM 0 HB VAL A 79 61.496 -7.515 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.954 -6.432 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.919 -7.155 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.652 -5.396 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.688 -5.501 9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.387 -4.465 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.039 -5.560 8.072 1.00 0.00 H new ATOM 1205 N ILE A 80 62.787 -8.778 6.350 1.00 0.00 N ATOM 1206 CA ILE A 80 63.641 -9.911 6.010 1.00 0.00 C ATOM 1207 C ILE A 80 64.256 -9.720 4.628 1.00 0.00 C ATOM 1208 O ILE A 80 65.435 -10.000 4.419 1.00 0.00 O ATOM 1209 CB ILE A 80 62.827 -11.205 6.035 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.541 -11.598 7.486 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.621 -12.321 5.353 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.560 -12.773 7.513 1.00 0.00 C ATOM 0 H ILE A 80 61.802 -9.010 6.477 1.00 0.00 H new ATOM 0 HA ILE A 80 64.442 -9.973 6.747 1.00 0.00 H new ATOM 0 HB ILE A 80 61.886 -11.053 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.468 -11.873 7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.124 -10.750 8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.041 -13.244 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.827 -12.042 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.562 -12.474 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.356 -13.053 8.546 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.630 -12.481 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.995 -13.622 6.986 1.00 0.00 H new ATOM 1224 N ALA A 81 63.448 -9.238 3.688 1.00 0.00 N ATOM 1225 CA ALA A 81 63.924 -9.011 2.329 1.00 0.00 C ATOM 1226 C ALA A 81 65.028 -7.959 2.320 1.00 0.00 C ATOM 1227 O ALA A 81 65.975 -8.045 1.538 1.00 0.00 O ATOM 1228 CB ALA A 81 62.768 -8.551 1.440 1.00 0.00 C ATOM 0 H ALA A 81 62.468 -8.999 3.841 1.00 0.00 H new ATOM 0 HA ALA A 81 64.326 -9.947 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.133 -8.384 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.993 -9.318 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.353 -7.623 1.834 1.00 0.00 H new ATOM 1234 N LEU A 82 64.898 -6.968 3.196 1.00 0.00 N ATOM 1235 CA LEU A 82 65.892 -5.903 3.283 1.00 0.00 C ATOM 1236 C LEU A 82 67.171 -6.421 3.933 1.00 0.00 C ATOM 1237 O LEU A 82 68.275 -6.093 3.500 1.00 0.00 O ATOM 1238 CB LEU A 82 65.337 -4.736 4.101 1.00 0.00 C ATOM 1239 CG LEU A 82 64.786 -3.666 3.156 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.914 -2.688 3.944 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.950 -2.907 2.515 1.00 0.00 C ATOM 0 H LEU A 82 64.121 -6.880 3.851 1.00 0.00 H new ATOM 0 HA LEU A 82 66.122 -5.560 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.550 -5.088 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.121 -4.313 4.729 1.00 0.00 H new ATOM 0 HG LEU A 82 64.187 -4.141 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.522 -1.926 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.086 -3.228 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.512 -2.212 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 82 65.560 -2.144 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.548 -2.432 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.573 -3.603 1.953 1.00 0.00 H new ATOM 1253 N PHE A 83 67.012 -7.231 4.973 1.00 0.00 N ATOM 1254 CA PHE A 83 68.161 -7.791 5.676 1.00 0.00 C ATOM 1255 C PHE A 83 68.913 -8.767 4.777 1.00 0.00 C ATOM 1256 O PHE A 83 70.126 -8.929 4.898 1.00 0.00 O ATOM 1257 CB PHE A 83 67.698 -8.513 6.943 1.00 0.00 C ATOM 1258 CG PHE A 83 67.475 -7.506 8.044 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.851 -6.284 7.761 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.890 -7.792 9.350 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.644 -5.350 8.782 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.683 -6.859 10.372 1.00 0.00 C ATOM 1263 CZ PHE A 83 67.059 -5.637 10.088 1.00 0.00 C ATOM 0 H PHE A 83 66.106 -7.513 5.346 1.00 0.00 H new ATOM 0 HA PHE A 83 68.830 -6.975 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.777 -9.062 6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.445 -9.245 7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.530 -6.063 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.371 -8.734 9.569 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.164 -4.408 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 83 68.004 -7.081 11.379 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.898 -4.917 10.876 1.00 0.00 H new ATOM 1273 N ASN A 84 68.182 -9.414 3.875 1.00 0.00 N ATOM 1274 CA ASN A 84 68.789 -10.372 2.959 1.00 0.00 C ATOM 1275 C ASN A 84 69.404 -9.652 1.763 1.00 0.00 C ATOM 1276 O ASN A 84 69.980 -10.281 0.876 1.00 0.00 O ATOM 1277 CB ASN A 84 67.736 -11.368 2.471 1.00 0.00 C ATOM 1278 CG ASN A 84 68.409 -12.519 1.732 1.00 0.00 C ATOM 1279 OD1 ASN A 84 69.054 -12.306 0.705 1.00 0.00 O ATOM 1280 ND2 ASN A 84 68.296 -13.733 2.195 1.00 0.00 N ATOM 0 H ASN A 84 67.176 -9.294 3.759 1.00 0.00 H new ATOM 0 HA ASN A 84 69.575 -10.907 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 84 67.167 -11.752 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 84 67.027 -10.867 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 84 68.743 -14.509 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 84 67.761 -13.907 3.046 1.00 0.00 H new ATOM 1287 N SER A 85 69.276 -8.329 1.746 1.00 0.00 N ATOM 1288 CA SER A 85 69.822 -7.532 0.654 1.00 0.00 C ATOM 1289 C SER A 85 68.876 -7.543 -0.543 1.00 0.00 C ATOM 1290 O SER A 85 68.479 -6.471 -0.969 1.00 0.00 O ATOM 1291 CB SER A 85 71.183 -8.085 0.234 1.00 0.00 C ATOM 1292 OG SER A 85 71.773 -8.765 1.334 1.00 0.00 O ATOM 1293 OXT SER A 85 68.562 -8.623 -1.015 1.00 0.00 O ATOM 0 H SER A 85 68.802 -7.790 2.471 1.00 0.00 H new ATOM 0 HA SER A 85 69.938 -6.506 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 85 71.067 -8.766 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 85 71.832 -7.274 -0.097 1.00 0.00 H new ATOM 0 HG SER A 85 71.653 -9.731 1.224 1.00 0.00 H new TER 1299 SER A 85