USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 685 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 18 LYS NZ :NH3+ -148:sc= -5.29! (180deg=-7.51!) USER MOD Set 1.2: A 22 GLN : amide:sc= -1.21 K(o=-6.5,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0215 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc=-0.00214 (180deg=-0.0863) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.059 (180deg=-0.34) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 27 GLN : amide:sc= -5.28! C(o=-5.3!,f=-12!) USER MOD Single : A 29 SER OG : rot 81:sc= -0.744 USER MOD Single : A 32 ASN : amide:sc= 1.18 K(o=1.2,f=-0.042) USER MOD Single : A 33 SER OG : rot 33:sc= 0.898 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 42 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.13) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.186 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 74:sc= 0.567 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.133 (180deg=-0.674) USER MOD Single : A 65 SER OG : rot -62:sc= 1.13 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.506) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.664 (180deg=-2.04!) USER MOD Single : A 73 MET CE :methyl -166:sc= 0 (180deg=-0.163) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.0021) USER MOD Single : A 82 SER OG : rot 26:sc= 0.145 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.741 -13.851 13.569 1.00 0.00 N ATOM 2 CA GLY A 1 9.775 -13.274 14.407 1.00 0.00 C ATOM 3 C GLY A 1 9.513 -13.494 15.884 1.00 0.00 C ATOM 4 O GLY A 1 8.363 -13.523 16.320 1.00 0.00 O ATOM 0 H1 GLY A 1 8.450 -13.158 12.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.110 -14.703 13.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.921 -14.106 14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.738 -13.710 14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.845 -12.204 14.209 1.00 0.00 H new ATOM 8 N SER A 2 10.584 -13.653 16.656 1.00 0.00 N ATOM 9 CA SER A 2 10.464 -13.877 18.092 1.00 0.00 C ATOM 10 C SER A 2 11.015 -12.689 18.875 1.00 0.00 C ATOM 11 O SER A 2 12.157 -12.275 18.675 1.00 0.00 O ATOM 12 CB SER A 2 11.205 -15.154 18.493 1.00 0.00 C ATOM 13 OG SER A 2 10.361 -16.288 18.387 1.00 0.00 O ATOM 0 H SER A 2 11.544 -13.631 16.311 1.00 0.00 H new ATOM 0 HA SER A 2 9.406 -13.988 18.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.079 -15.286 17.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.568 -15.061 19.517 1.00 0.00 H new ATOM 0 HG SER A 2 10.858 -17.091 18.647 1.00 0.00 H new ATOM 19 N SER A 3 10.194 -12.145 19.768 1.00 0.00 N ATOM 20 CA SER A 3 10.596 -11.002 20.579 1.00 0.00 C ATOM 21 C SER A 3 11.060 -11.453 21.961 1.00 0.00 C ATOM 22 O SER A 3 10.293 -12.035 22.726 1.00 0.00 O ATOM 23 CB SER A 3 9.436 -10.014 20.716 1.00 0.00 C ATOM 24 OG SER A 3 9.851 -8.827 21.370 1.00 0.00 O ATOM 0 H SER A 3 9.247 -12.478 19.948 1.00 0.00 H new ATOM 0 HA SER A 3 11.428 -10.507 20.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.043 -9.771 19.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.624 -10.477 21.277 1.00 0.00 H new ATOM 0 HG SER A 3 9.092 -8.212 21.444 1.00 0.00 H new ATOM 30 N GLY A 4 12.324 -11.179 22.272 1.00 0.00 N ATOM 31 CA GLY A 4 12.870 -11.564 23.560 1.00 0.00 C ATOM 32 C GLY A 4 14.380 -11.692 23.535 1.00 0.00 C ATOM 33 O GLY A 4 15.097 -10.738 23.836 1.00 0.00 O ATOM 0 H GLY A 4 12.979 -10.698 21.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.584 -10.825 24.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.433 -12.514 23.867 1.00 0.00 H new ATOM 37 N SER A 5 14.866 -12.876 23.175 1.00 0.00 N ATOM 38 CA SER A 5 16.301 -13.129 23.117 1.00 0.00 C ATOM 39 C SER A 5 16.881 -12.660 21.785 1.00 0.00 C ATOM 40 O SER A 5 16.315 -12.921 20.723 1.00 0.00 O ATOM 41 CB SER A 5 16.587 -14.618 23.314 1.00 0.00 C ATOM 42 OG SER A 5 17.927 -14.831 23.721 1.00 0.00 O ATOM 0 H SER A 5 14.287 -13.675 22.919 1.00 0.00 H new ATOM 0 HA SER A 5 16.777 -12.566 23.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.907 -15.026 24.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.397 -15.154 22.384 1.00 0.00 H new ATOM 0 HG SER A 5 18.084 -15.791 23.842 1.00 0.00 H new ATOM 48 N SER A 6 18.013 -11.967 21.852 1.00 0.00 N ATOM 49 CA SER A 6 18.669 -11.458 20.653 1.00 0.00 C ATOM 50 C SER A 6 18.816 -12.557 19.606 1.00 0.00 C ATOM 51 O SER A 6 18.399 -12.398 18.459 1.00 0.00 O ATOM 52 CB SER A 6 20.043 -10.884 21.003 1.00 0.00 C ATOM 53 OG SER A 6 20.809 -10.647 19.834 1.00 0.00 O ATOM 0 H SER A 6 18.495 -11.745 22.723 1.00 0.00 H new ATOM 0 HA SER A 6 18.047 -10.665 20.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.921 -9.953 21.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.574 -11.576 21.656 1.00 0.00 H new ATOM 0 HG SER A 6 21.682 -10.279 20.084 1.00 0.00 H new ATOM 59 N GLY A 7 19.412 -13.675 20.010 1.00 0.00 N ATOM 60 CA GLY A 7 19.605 -14.785 19.095 1.00 0.00 C ATOM 61 C GLY A 7 20.593 -14.463 17.992 1.00 0.00 C ATOM 62 O GLY A 7 21.429 -13.569 18.119 1.00 0.00 O ATOM 0 H GLY A 7 19.764 -13.832 20.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.957 -15.653 19.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.647 -15.057 18.652 1.00 0.00 H new ATOM 66 N PRO A 8 20.504 -15.205 16.878 1.00 0.00 N ATOM 67 CA PRO A 8 21.390 -15.013 15.726 1.00 0.00 C ATOM 68 C PRO A 8 21.114 -13.704 14.994 1.00 0.00 C ATOM 69 O PRO A 8 19.982 -13.218 14.977 1.00 0.00 O ATOM 70 CB PRO A 8 21.067 -16.208 14.826 1.00 0.00 C ATOM 71 CG PRO A 8 19.674 -16.590 15.190 1.00 0.00 C ATOM 72 CD PRO A 8 19.532 -16.289 16.657 1.00 0.00 C ATOM 0 HA PRO A 8 22.437 -14.957 16.023 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.142 -15.941 13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.761 -17.031 14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.949 -16.026 14.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.494 -17.646 14.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.518 -15.977 16.907 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.757 -17.162 17.270 1.00 0.00 H new ATOM 80 N ASP A 9 22.153 -13.138 14.390 1.00 0.00 N ATOM 81 CA ASP A 9 22.021 -11.886 13.655 1.00 0.00 C ATOM 82 C ASP A 9 21.275 -12.103 12.342 1.00 0.00 C ATOM 83 O ASP A 9 21.842 -12.597 11.368 1.00 0.00 O ATOM 84 CB ASP A 9 23.400 -11.285 13.379 1.00 0.00 C ATOM 85 CG ASP A 9 23.334 -10.084 12.455 1.00 0.00 C ATOM 86 OD1 ASP A 9 22.676 -9.088 12.823 1.00 0.00 O ATOM 87 OD2 ASP A 9 23.940 -10.141 11.365 1.00 0.00 O ATOM 0 H ASP A 9 23.096 -13.527 14.395 1.00 0.00 H new ATOM 0 HA ASP A 9 21.446 -11.192 14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 9 23.860 -10.989 14.322 1.00 0.00 H new ATOM 0 HB3 ASP A 9 24.043 -12.046 12.936 1.00 0.00 H new ATOM 92 N PHE A 10 20.000 -11.730 12.324 1.00 0.00 N ATOM 93 CA PHE A 10 19.174 -11.886 11.132 1.00 0.00 C ATOM 94 C PHE A 10 19.870 -11.295 9.908 1.00 0.00 C ATOM 95 O PHE A 10 20.534 -10.262 9.995 1.00 0.00 O ATOM 96 CB PHE A 10 17.816 -11.213 11.335 1.00 0.00 C ATOM 97 CG PHE A 10 17.900 -9.895 12.051 1.00 0.00 C ATOM 98 CD1 PHE A 10 18.295 -8.750 11.378 1.00 0.00 C ATOM 99 CD2 PHE A 10 17.586 -9.802 13.397 1.00 0.00 C ATOM 100 CE1 PHE A 10 18.373 -7.536 12.033 1.00 0.00 C ATOM 101 CE2 PHE A 10 17.663 -8.590 14.058 1.00 0.00 C ATOM 102 CZ PHE A 10 18.058 -7.456 13.376 1.00 0.00 C ATOM 0 H PHE A 10 19.516 -11.317 13.121 1.00 0.00 H new ATOM 0 HA PHE A 10 19.021 -12.952 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 10 17.347 -11.060 10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 17.168 -11.883 11.900 1.00 0.00 H new ATOM 0 HD1 PHE A 10 18.545 -8.807 10.329 1.00 0.00 H new ATOM 0 HD2 PHE A 10 17.278 -10.686 13.936 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.680 -6.651 11.496 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.414 -8.530 15.107 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.121 -6.509 13.891 1.00 0.00 H new ATOM 112 N THR A 11 19.713 -11.960 8.768 1.00 0.00 N ATOM 113 CA THR A 11 20.326 -11.503 7.527 1.00 0.00 C ATOM 114 C THR A 11 19.879 -10.087 7.181 1.00 0.00 C ATOM 115 O THR A 11 18.735 -9.696 7.416 1.00 0.00 O ATOM 116 CB THR A 11 19.981 -12.438 6.352 1.00 0.00 C ATOM 117 OG1 THR A 11 18.560 -12.547 6.214 1.00 0.00 O ATOM 118 CG2 THR A 11 20.582 -13.820 6.566 1.00 0.00 C ATOM 0 H THR A 11 19.167 -12.817 8.678 1.00 0.00 H new ATOM 0 HA THR A 11 21.404 -11.513 7.686 1.00 0.00 H new ATOM 0 HB THR A 11 20.403 -12.012 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.349 -13.142 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.325 -14.463 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.666 -13.737 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.185 -14.251 7.485 1.00 0.00 H new ATOM 126 N PRO A 12 20.801 -9.298 6.610 1.00 0.00 N ATOM 127 CA PRO A 12 20.525 -7.912 6.219 1.00 0.00 C ATOM 128 C PRO A 12 19.572 -7.824 5.032 1.00 0.00 C ATOM 129 O PRO A 12 19.262 -6.734 4.553 1.00 0.00 O ATOM 130 CB PRO A 12 21.904 -7.369 5.839 1.00 0.00 C ATOM 131 CG PRO A 12 22.689 -8.571 5.442 1.00 0.00 C ATOM 132 CD PRO A 12 22.185 -9.697 6.302 1.00 0.00 C ATOM 0 HA PRO A 12 20.037 -7.353 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.835 -6.653 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.370 -6.851 6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.551 -8.796 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.756 -8.409 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.221 -10.651 5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.782 -9.809 7.207 1.00 0.00 H new ATOM 140 N GLN A 13 19.111 -8.979 4.562 1.00 0.00 N ATOM 141 CA GLN A 13 18.193 -9.031 3.431 1.00 0.00 C ATOM 142 C GLN A 13 17.249 -7.833 3.440 1.00 0.00 C ATOM 143 O GLN A 13 16.357 -7.738 4.284 1.00 0.00 O ATOM 144 CB GLN A 13 17.387 -10.331 3.459 1.00 0.00 C ATOM 145 CG GLN A 13 18.091 -11.497 2.785 1.00 0.00 C ATOM 146 CD GLN A 13 17.794 -11.579 1.301 1.00 0.00 C ATOM 147 OE1 GLN A 13 18.403 -10.690 0.525 1.00 0.00 O flip ATOM 148 NE2 GLN A 13 17.025 -12.432 0.856 1.00 0.00 N flip ATOM 0 H GLN A 13 19.358 -9.891 4.947 1.00 0.00 H new ATOM 0 HA GLN A 13 18.783 -8.998 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 13 17.175 -10.595 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 13 16.427 -10.165 2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.167 -11.401 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.786 -12.427 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.578 -13.096 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.835 -12.475 -0.145 1.00 0.00 H new ATOM 157 N LYS A 14 17.450 -6.920 2.496 1.00 0.00 N ATOM 158 CA LYS A 14 16.617 -5.728 2.394 1.00 0.00 C ATOM 159 C LYS A 14 15.647 -5.840 1.222 1.00 0.00 C ATOM 160 O LYS A 14 16.034 -5.670 0.065 1.00 0.00 O ATOM 161 CB LYS A 14 17.490 -4.482 2.230 1.00 0.00 C ATOM 162 CG LYS A 14 17.962 -3.891 3.547 1.00 0.00 C ATOM 163 CD LYS A 14 18.320 -2.422 3.403 1.00 0.00 C ATOM 164 CE LYS A 14 19.699 -2.241 2.788 1.00 0.00 C ATOM 165 NZ LYS A 14 20.784 -2.568 3.755 1.00 0.00 N ATOM 0 H LYS A 14 18.183 -6.983 1.790 1.00 0.00 H new ATOM 0 HA LYS A 14 16.039 -5.640 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.359 -4.735 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.929 -3.725 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.180 -4.004 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.830 -4.445 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.575 -1.924 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.291 -1.942 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.791 -2.879 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.813 -1.212 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.694 -2.228 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.588 -2.107 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.829 -3.598 3.891 1.00 0.00 H new ATOM 179 N PHE A 15 14.386 -6.127 1.528 1.00 0.00 N ATOM 180 CA PHE A 15 13.362 -6.261 0.499 1.00 0.00 C ATOM 181 C PHE A 15 12.971 -4.897 -0.061 1.00 0.00 C ATOM 182 O PHE A 15 12.294 -4.110 0.602 1.00 0.00 O ATOM 183 CB PHE A 15 12.127 -6.964 1.068 1.00 0.00 C ATOM 184 CG PHE A 15 11.371 -6.133 2.065 1.00 0.00 C ATOM 185 CD1 PHE A 15 11.776 -6.078 3.389 1.00 0.00 C ATOM 186 CD2 PHE A 15 10.256 -5.407 1.679 1.00 0.00 C ATOM 187 CE1 PHE A 15 11.082 -5.315 4.309 1.00 0.00 C ATOM 188 CE2 PHE A 15 9.558 -4.642 2.594 1.00 0.00 C ATOM 189 CZ PHE A 15 9.972 -4.595 3.911 1.00 0.00 C ATOM 0 H PHE A 15 14.049 -6.271 2.480 1.00 0.00 H new ATOM 0 HA PHE A 15 13.774 -6.862 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 15 11.460 -7.230 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 15 12.435 -7.896 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 15 12.644 -6.638 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.928 -5.439 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.407 -5.282 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.690 -4.082 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.429 -3.997 4.628 1.00 0.00 H new ATOM 199 N LYS A 16 13.403 -4.622 -1.287 1.00 0.00 N ATOM 200 CA LYS A 16 13.100 -3.353 -1.939 1.00 0.00 C ATOM 201 C LYS A 16 12.628 -3.578 -3.373 1.00 0.00 C ATOM 202 O LYS A 16 11.756 -2.864 -3.867 1.00 0.00 O ATOM 203 CB LYS A 16 14.332 -2.446 -1.933 1.00 0.00 C ATOM 204 CG LYS A 16 14.171 -1.197 -2.782 1.00 0.00 C ATOM 205 CD LYS A 16 13.521 -0.069 -1.999 1.00 0.00 C ATOM 206 CE LYS A 16 14.518 0.617 -1.078 1.00 0.00 C ATOM 207 NZ LYS A 16 15.550 1.372 -1.841 1.00 0.00 N ATOM 0 H LYS A 16 13.964 -5.261 -1.850 1.00 0.00 H new ATOM 0 HA LYS A 16 12.298 -2.869 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.551 -2.152 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.191 -3.012 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.147 -0.874 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.566 -1.428 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.101 0.661 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.692 -0.463 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.988 1.298 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.005 -0.129 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.002 2.070 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.269 0.712 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.101 1.863 -2.640 1.00 0.00 H new ATOM 221 N GLU A 17 13.209 -4.574 -4.033 1.00 0.00 N ATOM 222 CA GLU A 17 12.847 -4.892 -5.409 1.00 0.00 C ATOM 223 C GLU A 17 11.474 -5.555 -5.471 1.00 0.00 C ATOM 224 O GLU A 17 11.365 -6.775 -5.599 1.00 0.00 O ATOM 225 CB GLU A 17 13.897 -5.810 -6.038 1.00 0.00 C ATOM 226 CG GLU A 17 15.231 -5.127 -6.287 1.00 0.00 C ATOM 227 CD GLU A 17 15.265 -4.374 -7.602 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.991 -4.996 -8.650 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.566 -3.162 -7.584 1.00 0.00 O ATOM 0 H GLU A 17 13.932 -5.175 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 17 12.807 -3.959 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.054 -6.669 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.513 -6.194 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.438 -4.435 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.024 -5.874 -6.280 1.00 0.00 H new ATOM 236 N LYS A 18 10.426 -4.743 -5.378 1.00 0.00 N ATOM 237 CA LYS A 18 9.059 -5.248 -5.423 1.00 0.00 C ATOM 238 C LYS A 18 8.446 -5.035 -6.804 1.00 0.00 C ATOM 239 O LYS A 18 8.756 -4.059 -7.489 1.00 0.00 O ATOM 240 CB LYS A 18 8.202 -4.556 -4.361 1.00 0.00 C ATOM 241 CG LYS A 18 8.753 -4.693 -2.952 1.00 0.00 C ATOM 242 CD LYS A 18 7.654 -4.574 -1.909 1.00 0.00 C ATOM 243 CE LYS A 18 6.993 -5.917 -1.641 1.00 0.00 C ATOM 244 NZ LYS A 18 6.215 -6.398 -2.816 1.00 0.00 N ATOM 0 H LYS A 18 10.498 -3.731 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 18 9.087 -6.318 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.117 -3.498 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.195 -4.972 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.252 -5.656 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.505 -3.924 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.072 -4.181 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.904 -3.859 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.756 -6.652 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.332 -5.830 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.397 -6.950 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.883 -5.583 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.821 -6.998 -3.412 1.00 0.00 H new ATOM 258 N THR A 19 7.573 -5.952 -7.207 1.00 0.00 N ATOM 259 CA THR A 19 6.916 -5.864 -8.505 1.00 0.00 C ATOM 260 C THR A 19 5.710 -4.934 -8.449 1.00 0.00 C ATOM 261 O THR A 19 5.289 -4.512 -7.372 1.00 0.00 O ATOM 262 CB THR A 19 6.458 -7.250 -8.998 1.00 0.00 C ATOM 263 OG1 THR A 19 5.126 -7.516 -8.546 1.00 0.00 O ATOM 264 CG2 THR A 19 7.395 -8.339 -8.497 1.00 0.00 C ATOM 0 H THR A 19 7.304 -6.765 -6.653 1.00 0.00 H new ATOM 0 HA THR A 19 7.650 -5.462 -9.204 1.00 0.00 H new ATOM 0 HB THR A 19 6.478 -7.248 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.842 -8.398 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.052 -9.309 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.403 -8.150 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.403 -8.339 -7.407 1.00 0.00 H new ATOM 272 N ALA A 20 5.157 -4.618 -9.615 1.00 0.00 N ATOM 273 CA ALA A 20 3.997 -3.739 -9.698 1.00 0.00 C ATOM 274 C ALA A 20 2.784 -4.367 -9.020 1.00 0.00 C ATOM 275 O ALA A 20 2.153 -3.750 -8.162 1.00 0.00 O ATOM 276 CB ALA A 20 3.683 -3.415 -11.151 1.00 0.00 C ATOM 0 H ALA A 20 5.494 -4.958 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 20 4.235 -2.813 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.815 -2.758 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.539 -2.918 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.470 -4.337 -11.692 1.00 0.00 H new ATOM 282 N GLU A 21 2.462 -5.596 -9.412 1.00 0.00 N ATOM 283 CA GLU A 21 1.323 -6.305 -8.842 1.00 0.00 C ATOM 284 C GLU A 21 1.456 -6.419 -7.326 1.00 0.00 C ATOM 285 O GLU A 21 0.499 -6.178 -6.590 1.00 0.00 O ATOM 286 CB GLU A 21 1.200 -7.699 -9.460 1.00 0.00 C ATOM 287 CG GLU A 21 -0.231 -8.200 -9.553 1.00 0.00 C ATOM 288 CD GLU A 21 -0.899 -7.819 -10.861 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.237 -7.921 -11.915 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.081 -7.420 -10.830 1.00 0.00 O ATOM 0 H GLU A 21 2.974 -6.121 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 21 0.422 -5.734 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.636 -7.684 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.784 -8.403 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.240 -9.285 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.809 -7.794 -8.723 1.00 0.00 H new ATOM 297 N GLN A 22 2.648 -6.787 -6.868 1.00 0.00 N ATOM 298 CA GLN A 22 2.905 -6.934 -5.441 1.00 0.00 C ATOM 299 C GLN A 22 2.644 -5.625 -4.703 1.00 0.00 C ATOM 300 O GLN A 22 2.075 -5.618 -3.611 1.00 0.00 O ATOM 301 CB GLN A 22 4.347 -7.387 -5.205 1.00 0.00 C ATOM 302 CG GLN A 22 4.620 -8.811 -5.661 1.00 0.00 C ATOM 303 CD GLN A 22 5.787 -9.445 -4.930 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.619 -8.751 -4.346 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.853 -10.771 -4.957 1.00 0.00 N ATOM 0 H GLN A 22 3.451 -6.989 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 22 2.225 -7.692 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.022 -6.711 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.576 -7.305 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.727 -9.416 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.823 -8.813 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.141 -11.307 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.615 -11.253 -4.481 1.00 0.00 H new ATOM 314 N LEU A 23 3.064 -4.518 -5.306 1.00 0.00 N ATOM 315 CA LEU A 23 2.876 -3.202 -4.705 1.00 0.00 C ATOM 316 C LEU A 23 1.407 -2.792 -4.740 1.00 0.00 C ATOM 317 O LEU A 23 0.783 -2.592 -3.698 1.00 0.00 O ATOM 318 CB LEU A 23 3.725 -2.160 -5.436 1.00 0.00 C ATOM 319 CG LEU A 23 5.158 -1.988 -4.931 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.891 -0.939 -5.752 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.163 -1.614 -3.457 1.00 0.00 C ATOM 0 H LEU A 23 3.537 -4.505 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 23 3.194 -3.256 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.763 -2.427 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.219 -1.197 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 23 5.679 -2.938 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.909 -0.830 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.919 -1.249 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.371 0.015 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.191 -1.496 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.624 -0.677 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.677 -2.401 -2.880 1.00 0.00 H new ATOM 333 N ARG A 24 0.860 -2.672 -5.946 1.00 0.00 N ATOM 334 CA ARG A 24 -0.536 -2.288 -6.117 1.00 0.00 C ATOM 335 C ARG A 24 -1.398 -2.859 -4.994 1.00 0.00 C ATOM 336 O ARG A 24 -2.137 -2.130 -4.333 1.00 0.00 O ATOM 337 CB ARG A 24 -1.058 -2.770 -7.471 1.00 0.00 C ATOM 338 CG ARG A 24 -2.560 -2.611 -7.637 1.00 0.00 C ATOM 339 CD ARG A 24 -2.986 -2.815 -9.082 1.00 0.00 C ATOM 340 NE ARG A 24 -4.298 -2.233 -9.354 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.708 -1.881 -10.567 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.914 -2.052 -11.615 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.916 -1.357 -10.734 1.00 0.00 N ATOM 0 H ARG A 24 1.363 -2.835 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.595 -1.200 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.553 -2.217 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.796 -3.820 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.076 -3.330 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.861 -1.617 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.246 -2.366 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.009 -3.882 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.934 -2.089 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.985 -2.455 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.232 -1.781 -12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.530 -1.224 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.230 -1.087 -11.666 1.00 0.00 H new ATOM 357 N VAL A 25 -1.299 -4.168 -4.786 1.00 0.00 N ATOM 358 CA VAL A 25 -2.068 -4.837 -3.744 1.00 0.00 C ATOM 359 C VAL A 25 -1.739 -4.270 -2.368 1.00 0.00 C ATOM 360 O VAL A 25 -2.604 -3.712 -1.691 1.00 0.00 O ATOM 361 CB VAL A 25 -1.805 -6.354 -3.739 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.608 -7.032 -2.639 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.132 -6.956 -5.097 1.00 0.00 C ATOM 0 H VAL A 25 -0.693 -4.786 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.121 -4.659 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.747 -6.521 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.409 -8.104 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.320 -6.620 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.671 -6.858 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.940 -8.029 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.182 -6.780 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.508 -6.491 -5.861 1.00 0.00 H new ATOM 373 N LEU A 26 -0.484 -4.416 -1.959 1.00 0.00 N ATOM 374 CA LEU A 26 -0.038 -3.918 -0.662 1.00 0.00 C ATOM 375 C LEU A 26 -0.490 -2.477 -0.448 1.00 0.00 C ATOM 376 O LEU A 26 -1.222 -2.180 0.495 1.00 0.00 O ATOM 377 CB LEU A 26 1.485 -4.009 -0.555 1.00 0.00 C ATOM 378 CG LEU A 26 2.090 -5.399 -0.751 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.510 -5.293 -1.284 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.065 -6.181 0.555 1.00 0.00 C ATOM 0 H LEU A 26 0.244 -4.875 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.488 -4.539 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.922 -3.337 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.783 -3.640 0.427 1.00 0.00 H new ATOM 0 HG LEU A 26 1.488 -5.936 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.924 -6.292 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.501 -4.773 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.124 -4.737 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.500 -7.168 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.642 -5.647 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.035 -6.288 0.895 1.00 0.00 H new ATOM 392 N GLN A 27 -0.050 -1.587 -1.332 1.00 0.00 N ATOM 393 CA GLN A 27 -0.410 -0.177 -1.240 1.00 0.00 C ATOM 394 C GLN A 27 -1.913 -0.012 -1.040 1.00 0.00 C ATOM 395 O GLN A 27 -2.360 0.897 -0.340 1.00 0.00 O ATOM 396 CB GLN A 27 0.033 0.568 -2.500 1.00 0.00 C ATOM 397 CG GLN A 27 0.388 2.025 -2.252 1.00 0.00 C ATOM 398 CD GLN A 27 -0.837 2.906 -2.102 1.00 0.00 C ATOM 399 OE1 GLN A 27 -0.969 3.643 -1.124 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.740 2.835 -3.072 1.00 0.00 N ATOM 0 H GLN A 27 0.556 -1.817 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 27 0.103 0.247 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.897 0.060 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.765 0.518 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.996 2.099 -1.351 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.996 2.393 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.590 2.210 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.584 3.405 -3.025 1.00 0.00 H new ATOM 409 N ALA A 28 -2.689 -0.896 -1.659 1.00 0.00 N ATOM 410 CA ALA A 28 -4.141 -0.848 -1.547 1.00 0.00 C ATOM 411 C ALA A 28 -4.599 -1.277 -0.158 1.00 0.00 C ATOM 412 O ALA A 28 -5.481 -0.656 0.435 1.00 0.00 O ATOM 413 CB ALA A 28 -4.781 -1.728 -2.611 1.00 0.00 C ATOM 0 H ALA A 28 -2.336 -1.654 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.459 0.183 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.866 -1.683 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.488 -1.375 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.448 -2.758 -2.480 1.00 0.00 H new ATOM 419 N SER A 29 -3.995 -2.344 0.357 1.00 0.00 N ATOM 420 CA SER A 29 -4.344 -2.859 1.675 1.00 0.00 C ATOM 421 C SER A 29 -3.875 -1.908 2.772 1.00 0.00 C ATOM 422 O SER A 29 -4.684 -1.342 3.507 1.00 0.00 O ATOM 423 CB SER A 29 -3.727 -4.243 1.886 1.00 0.00 C ATOM 424 OG SER A 29 -4.595 -5.264 1.425 1.00 0.00 O ATOM 0 H SER A 29 -3.261 -2.868 -0.119 1.00 0.00 H new ATOM 0 HA SER A 29 -5.430 -2.941 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.775 -4.305 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.515 -4.392 2.945 1.00 0.00 H new ATOM 0 HG SER A 29 -4.508 -5.353 0.453 1.00 0.00 H new ATOM 430 N PHE A 30 -2.561 -1.737 2.876 1.00 0.00 N ATOM 431 CA PHE A 30 -1.981 -0.856 3.883 1.00 0.00 C ATOM 432 C PHE A 30 -2.840 0.391 4.073 1.00 0.00 C ATOM 433 O PHE A 30 -3.153 0.778 5.199 1.00 0.00 O ATOM 434 CB PHE A 30 -0.560 -0.454 3.483 1.00 0.00 C ATOM 435 CG PHE A 30 -0.027 0.716 4.259 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.531 0.534 5.514 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.083 1.996 3.733 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.022 1.610 6.231 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.407 3.075 4.445 1.00 0.00 C ATOM 440 CZ PHE A 30 0.961 2.881 5.695 1.00 0.00 C ATOM 0 H PHE A 30 -1.878 -2.197 2.275 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.945 -1.399 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.104 -1.307 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.545 -0.212 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.583 -0.458 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.514 2.153 2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.453 1.456 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.357 4.068 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.346 3.722 6.252 1.00 0.00 H new ATOM 450 N LEU A 31 -3.217 1.017 2.963 1.00 0.00 N ATOM 451 CA LEU A 31 -4.039 2.221 3.006 1.00 0.00 C ATOM 452 C LEU A 31 -5.363 1.952 3.713 1.00 0.00 C ATOM 453 O LEU A 31 -5.855 2.789 4.469 1.00 0.00 O ATOM 454 CB LEU A 31 -4.300 2.735 1.588 1.00 0.00 C ATOM 455 CG LEU A 31 -3.172 3.546 0.950 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.488 3.844 -0.507 1.00 0.00 C ATOM 457 CD2 LEU A 31 -2.940 4.836 1.722 1.00 0.00 C ATOM 0 H LEU A 31 -2.967 0.711 2.023 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.497 2.981 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.513 1.880 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.199 3.352 1.606 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.258 2.954 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.674 4.422 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.603 2.908 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.414 4.416 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.134 5.400 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.852 5.433 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.668 4.600 2.751 1.00 0.00 H new ATOM 469 N ASN A 32 -5.934 0.778 3.463 1.00 0.00 N ATOM 470 CA ASN A 32 -7.200 0.397 4.078 1.00 0.00 C ATOM 471 C ASN A 32 -7.029 0.160 5.575 1.00 0.00 C ATOM 472 O ASN A 32 -7.951 0.383 6.359 1.00 0.00 O ATOM 473 CB ASN A 32 -7.757 -0.862 3.411 1.00 0.00 C ATOM 474 CG ASN A 32 -8.684 -0.543 2.255 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.869 -0.271 2.452 1.00 0.00 O ATOM 476 ND2 ASN A 32 -8.149 -0.574 1.040 1.00 0.00 N ATOM 0 H ASN A 32 -5.540 0.074 2.839 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.904 1.217 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.931 -1.475 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.295 -1.454 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.725 -0.367 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.162 -0.804 0.923 1.00 0.00 H new ATOM 483 N SER A 33 -5.842 -0.293 5.965 1.00 0.00 N ATOM 484 CA SER A 33 -5.550 -0.564 7.368 1.00 0.00 C ATOM 485 C SER A 33 -4.044 -0.636 7.605 1.00 0.00 C ATOM 486 O SER A 33 -3.394 -1.616 7.241 1.00 0.00 O ATOM 487 CB SER A 33 -6.210 -1.873 7.805 1.00 0.00 C ATOM 488 OG SER A 33 -5.711 -2.969 7.059 1.00 0.00 O ATOM 0 H SER A 33 -5.067 -0.480 5.329 1.00 0.00 H new ATOM 0 HA SER A 33 -5.955 0.255 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.028 -2.039 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.290 -1.801 7.674 1.00 0.00 H new ATOM 0 HG SER A 33 -4.770 -2.810 6.834 1.00 0.00 H new ATOM 494 N SER A 34 -3.497 0.409 8.218 1.00 0.00 N ATOM 495 CA SER A 34 -2.068 0.466 8.501 1.00 0.00 C ATOM 496 C SER A 34 -1.614 -0.777 9.261 1.00 0.00 C ATOM 497 O SER A 34 -0.631 -1.419 8.892 1.00 0.00 O ATOM 498 CB SER A 34 -1.737 1.722 9.311 1.00 0.00 C ATOM 499 OG SER A 34 -2.514 1.785 10.494 1.00 0.00 O ATOM 0 H SER A 34 -4.022 1.227 8.528 1.00 0.00 H new ATOM 0 HA SER A 34 -1.536 0.504 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.678 1.724 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.920 2.609 8.704 1.00 0.00 H new ATOM 0 HG SER A 34 -2.283 2.595 10.995 1.00 0.00 H new ATOM 505 N VAL A 35 -2.338 -1.110 10.325 1.00 0.00 N ATOM 506 CA VAL A 35 -2.012 -2.276 11.137 1.00 0.00 C ATOM 507 C VAL A 35 -2.398 -3.567 10.425 1.00 0.00 C ATOM 508 O VAL A 35 -3.579 -3.836 10.201 1.00 0.00 O ATOM 509 CB VAL A 35 -2.721 -2.224 12.503 1.00 0.00 C ATOM 510 CG1 VAL A 35 -4.231 -2.218 12.321 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.285 -3.393 13.374 1.00 0.00 C ATOM 0 H VAL A 35 -3.154 -0.588 10.645 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.934 -2.260 11.295 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.436 -1.300 13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.715 -2.181 13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.524 -1.345 11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.538 -3.124 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.796 -3.341 14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.539 -4.330 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.208 -3.347 13.532 1.00 0.00 H new ATOM 521 N LEU A 36 -1.395 -4.363 10.071 1.00 0.00 N ATOM 522 CA LEU A 36 -1.629 -5.629 9.383 1.00 0.00 C ATOM 523 C LEU A 36 -2.155 -6.684 10.350 1.00 0.00 C ATOM 524 O LEU A 36 -1.499 -7.022 11.337 1.00 0.00 O ATOM 525 CB LEU A 36 -0.338 -6.121 8.726 1.00 0.00 C ATOM 526 CG LEU A 36 -0.507 -7.117 7.579 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.206 -6.460 6.399 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.843 -7.678 7.157 1.00 0.00 C ATOM 0 H LEU A 36 -0.412 -4.155 10.249 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.381 -5.462 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.208 -5.255 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.284 -6.583 9.493 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.128 -7.942 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.317 -7.185 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.190 -6.108 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.612 -5.616 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.704 -8.385 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.488 -6.864 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.306 -8.187 8.002 1.00 0.00 H new ATOM 540 N THR A 37 -3.343 -7.205 10.060 1.00 0.00 N ATOM 541 CA THR A 37 -3.958 -8.224 10.903 1.00 0.00 C ATOM 542 C THR A 37 -3.698 -9.622 10.354 1.00 0.00 C ATOM 543 O THR A 37 -3.725 -9.838 9.142 1.00 0.00 O ATOM 544 CB THR A 37 -5.478 -8.008 11.028 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.083 -8.027 9.730 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.782 -6.685 11.715 1.00 0.00 C ATOM 0 H THR A 37 -3.899 -6.938 9.248 1.00 0.00 H new ATOM 0 HA THR A 37 -3.504 -8.134 11.890 1.00 0.00 H new ATOM 0 HB THR A 37 -5.889 -8.816 11.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.050 -7.891 9.818 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.861 -6.555 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.344 -6.684 12.713 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.358 -5.867 11.133 1.00 0.00 H new ATOM 554 N ASP A 38 -3.447 -10.568 11.252 1.00 0.00 N ATOM 555 CA ASP A 38 -3.184 -11.947 10.856 1.00 0.00 C ATOM 556 C ASP A 38 -4.003 -12.325 9.626 1.00 0.00 C ATOM 557 O ASP A 38 -3.481 -12.913 8.679 1.00 0.00 O ATOM 558 CB ASP A 38 -3.503 -12.900 12.009 1.00 0.00 C ATOM 559 CG ASP A 38 -4.951 -12.812 12.449 1.00 0.00 C ATOM 560 OD1 ASP A 38 -5.497 -11.689 12.474 1.00 0.00 O ATOM 561 OD2 ASP A 38 -5.538 -13.866 12.769 1.00 0.00 O ATOM 0 H ASP A 38 -3.420 -10.406 12.259 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.126 -12.032 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.281 -13.922 11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.855 -12.672 12.855 1.00 0.00 H new ATOM 566 N GLU A 39 -5.288 -11.984 9.649 1.00 0.00 N ATOM 567 CA GLU A 39 -6.178 -12.291 8.536 1.00 0.00 C ATOM 568 C GLU A 39 -5.732 -11.569 7.268 1.00 0.00 C ATOM 569 O GLU A 39 -5.455 -12.199 6.248 1.00 0.00 O ATOM 570 CB GLU A 39 -7.616 -11.897 8.881 1.00 0.00 C ATOM 571 CG GLU A 39 -7.756 -10.461 9.358 1.00 0.00 C ATOM 572 CD GLU A 39 -8.902 -10.280 10.334 1.00 0.00 C ATOM 573 OE1 GLU A 39 -9.270 -11.267 11.006 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.431 -9.153 10.427 1.00 0.00 O ATOM 0 H GLU A 39 -5.735 -11.496 10.425 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.136 -13.365 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.244 -12.042 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.991 -12.566 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.826 -10.148 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.910 -9.810 8.498 1.00 0.00 H new ATOM 581 N GLU A 40 -5.666 -10.243 7.341 1.00 0.00 N ATOM 582 CA GLU A 40 -5.255 -9.435 6.198 1.00 0.00 C ATOM 583 C GLU A 40 -3.938 -9.943 5.619 1.00 0.00 C ATOM 584 O GLU A 40 -3.781 -10.048 4.401 1.00 0.00 O ATOM 585 CB GLU A 40 -5.113 -7.968 6.608 1.00 0.00 C ATOM 586 CG GLU A 40 -4.507 -7.090 5.525 1.00 0.00 C ATOM 587 CD GLU A 40 -5.490 -6.769 4.416 1.00 0.00 C ATOM 588 OE1 GLU A 40 -5.658 -7.613 3.511 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.090 -5.675 4.453 1.00 0.00 O ATOM 0 H GLU A 40 -5.892 -9.706 8.178 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.025 -9.517 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.095 -7.577 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.493 -7.908 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.153 -6.161 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.637 -7.591 5.101 1.00 0.00 H new ATOM 596 N LEU A 41 -2.993 -10.255 6.498 1.00 0.00 N ATOM 597 CA LEU A 41 -1.688 -10.752 6.076 1.00 0.00 C ATOM 598 C LEU A 41 -1.836 -11.966 5.164 1.00 0.00 C ATOM 599 O LEU A 41 -1.196 -12.050 4.117 1.00 0.00 O ATOM 600 CB LEU A 41 -0.839 -11.116 7.295 1.00 0.00 C ATOM 601 CG LEU A 41 0.669 -11.211 7.060 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.413 -11.280 8.384 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.998 -12.421 6.197 1.00 0.00 C ATOM 0 H LEU A 41 -3.106 -10.173 7.508 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.189 -9.960 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.019 -10.374 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.187 -12.074 7.682 1.00 0.00 H new ATOM 0 HG LEU A 41 0.993 -10.314 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.485 -11.347 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.202 -10.383 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.086 -12.159 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.075 -12.474 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.660 -13.328 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.495 -12.329 5.235 1.00 0.00 H new ATOM 615 N ASN A 42 -2.687 -12.903 5.569 1.00 0.00 N ATOM 616 CA ASN A 42 -2.921 -14.112 4.787 1.00 0.00 C ATOM 617 C ASN A 42 -3.249 -13.767 3.338 1.00 0.00 C ATOM 618 O ASN A 42 -2.518 -14.141 2.420 1.00 0.00 O ATOM 619 CB ASN A 42 -4.062 -14.927 5.400 1.00 0.00 C ATOM 620 CG ASN A 42 -3.596 -15.799 6.550 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.644 -16.568 6.415 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.268 -15.684 7.689 1.00 0.00 N ATOM 0 H ASN A 42 -3.226 -12.849 6.433 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.008 -14.708 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.840 -14.250 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.511 -15.555 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.001 -16.246 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.051 -15.034 7.756 1.00 0.00 H new ATOM 629 N ARG A 43 -4.351 -13.053 3.140 1.00 0.00 N ATOM 630 CA ARG A 43 -4.776 -12.658 1.802 1.00 0.00 C ATOM 631 C ARG A 43 -3.586 -12.189 0.970 1.00 0.00 C ATOM 632 O ARG A 43 -3.259 -12.785 -0.057 1.00 0.00 O ATOM 633 CB ARG A 43 -5.825 -11.547 1.884 1.00 0.00 C ATOM 634 CG ARG A 43 -7.219 -12.049 2.220 1.00 0.00 C ATOM 635 CD ARG A 43 -8.242 -10.924 2.179 1.00 0.00 C ATOM 636 NE ARG A 43 -9.529 -11.335 2.732 1.00 0.00 N ATOM 637 CZ ARG A 43 -10.628 -10.590 2.668 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.594 -9.403 2.077 1.00 0.00 N ATOM 639 NH2 ARG A 43 -11.762 -11.032 3.195 1.00 0.00 N ATOM 0 H ARG A 43 -4.967 -12.736 3.889 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.216 -13.529 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.517 -10.823 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.858 -11.019 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.506 -12.829 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.214 -12.502 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.863 -10.069 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.378 -10.595 1.149 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.588 -12.243 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.723 -9.060 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.438 -8.833 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.791 -11.944 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.605 -10.459 3.145 1.00 0.00 H new ATOM 653 N LEU A 44 -2.943 -11.117 1.419 1.00 0.00 N ATOM 654 CA LEU A 44 -1.789 -10.567 0.716 1.00 0.00 C ATOM 655 C LEU A 44 -0.745 -11.648 0.453 1.00 0.00 C ATOM 656 O LEU A 44 -0.266 -11.801 -0.671 1.00 0.00 O ATOM 657 CB LEU A 44 -1.167 -9.429 1.528 1.00 0.00 C ATOM 658 CG LEU A 44 -2.083 -8.243 1.832 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.656 -7.555 3.119 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.083 -7.258 0.673 1.00 0.00 C ATOM 0 H LEU A 44 -3.201 -10.611 2.266 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.131 -10.177 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.809 -9.837 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.294 -9.060 0.989 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.098 -8.617 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.319 -6.714 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.709 -8.264 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.633 -7.194 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.740 -6.421 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.070 -6.890 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.438 -7.757 -0.229 1.00 0.00 H new ATOM 672 N ARG A 45 -0.400 -12.396 1.495 1.00 0.00 N ATOM 673 CA ARG A 45 0.585 -13.464 1.376 1.00 0.00 C ATOM 674 C ARG A 45 0.377 -14.255 0.088 1.00 0.00 C ATOM 675 O ARG A 45 1.336 -14.707 -0.537 1.00 0.00 O ATOM 676 CB ARG A 45 0.502 -14.402 2.582 1.00 0.00 C ATOM 677 CG ARG A 45 1.822 -15.069 2.927 1.00 0.00 C ATOM 678 CD ARG A 45 1.796 -15.667 4.325 1.00 0.00 C ATOM 679 NE ARG A 45 1.257 -17.025 4.330 1.00 0.00 N ATOM 680 CZ ARG A 45 1.483 -17.902 5.301 1.00 0.00 C ATOM 681 NH1 ARG A 45 2.233 -17.565 6.342 1.00 0.00 N ATOM 682 NH2 ARG A 45 0.957 -19.118 5.234 1.00 0.00 N ATOM 0 H ARG A 45 -0.788 -12.282 2.431 1.00 0.00 H new ATOM 0 HA ARG A 45 1.575 -13.008 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.153 -13.838 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.243 -15.172 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.036 -15.852 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.629 -14.339 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.806 -15.677 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.194 -15.036 4.978 1.00 0.00 H new ATOM 0 HE ARG A 45 0.675 -17.315 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.638 -16.630 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.405 -18.241 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.378 -19.380 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.131 -19.791 5.980 1.00 0.00 H new ATOM 696 N ALA A 46 -0.883 -14.419 -0.303 1.00 0.00 N ATOM 697 CA ALA A 46 -1.217 -15.154 -1.516 1.00 0.00 C ATOM 698 C ALA A 46 -1.233 -14.231 -2.730 1.00 0.00 C ATOM 699 O ALA A 46 -0.644 -14.542 -3.765 1.00 0.00 O ATOM 700 CB ALA A 46 -2.562 -15.847 -1.360 1.00 0.00 C ATOM 0 H ALA A 46 -1.689 -14.052 0.203 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.448 -15.910 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.799 -16.392 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.517 -16.544 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.335 -15.102 -1.171 1.00 0.00 H new ATOM 706 N GLN A 47 -1.910 -13.095 -2.595 1.00 0.00 N ATOM 707 CA GLN A 47 -2.003 -12.128 -3.683 1.00 0.00 C ATOM 708 C GLN A 47 -0.617 -11.681 -4.134 1.00 0.00 C ATOM 709 O GLN A 47 -0.245 -11.851 -5.296 1.00 0.00 O ATOM 710 CB GLN A 47 -2.825 -10.914 -3.245 1.00 0.00 C ATOM 711 CG GLN A 47 -4.258 -11.254 -2.867 1.00 0.00 C ATOM 712 CD GLN A 47 -5.167 -11.376 -4.074 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.107 -12.357 -4.815 1.00 0.00 O ATOM 714 NE2 GLN A 47 -6.017 -10.376 -4.279 1.00 0.00 N ATOM 0 H GLN A 47 -2.402 -12.822 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.500 -12.612 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.335 -10.442 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.835 -10.182 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.270 -12.192 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.646 -10.484 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.033 -9.581 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.653 -10.403 -5.076 1.00 0.00 H new ATOM 723 N THR A 48 0.146 -11.109 -3.208 1.00 0.00 N ATOM 724 CA THR A 48 1.491 -10.636 -3.511 1.00 0.00 C ATOM 725 C THR A 48 2.474 -11.798 -3.602 1.00 0.00 C ATOM 726 O THR A 48 3.586 -11.646 -4.109 1.00 0.00 O ATOM 727 CB THR A 48 1.989 -9.640 -2.448 1.00 0.00 C ATOM 728 OG1 THR A 48 2.264 -10.327 -1.222 1.00 0.00 O ATOM 729 CG2 THR A 48 0.958 -8.549 -2.203 1.00 0.00 C ATOM 0 H THR A 48 -0.145 -10.962 -2.241 1.00 0.00 H new ATOM 0 HA THR A 48 1.439 -10.131 -4.475 1.00 0.00 H new ATOM 0 HB THR A 48 2.904 -9.177 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.477 -10.847 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.332 -7.857 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.773 -8.008 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.028 -8.999 -1.854 1.00 0.00 H new ATOM 737 N LYS A 49 2.058 -12.959 -3.109 1.00 0.00 N ATOM 738 CA LYS A 49 2.901 -14.149 -3.136 1.00 0.00 C ATOM 739 C LYS A 49 4.182 -13.927 -2.338 1.00 0.00 C ATOM 740 O LYS A 49 5.219 -14.525 -2.629 1.00 0.00 O ATOM 741 CB LYS A 49 3.246 -14.522 -4.580 1.00 0.00 C ATOM 742 CG LYS A 49 2.027 -14.709 -5.467 1.00 0.00 C ATOM 743 CD LYS A 49 1.482 -16.125 -5.374 1.00 0.00 C ATOM 744 CE LYS A 49 2.255 -17.080 -6.269 1.00 0.00 C ATOM 745 NZ LYS A 49 1.760 -17.048 -7.673 1.00 0.00 N ATOM 0 H LYS A 49 1.141 -13.102 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 49 2.346 -14.967 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.879 -13.744 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.829 -15.443 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.252 -14.000 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.291 -14.487 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.535 -16.469 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.430 -16.130 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.313 -16.818 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.170 -18.094 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.313 -17.713 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.757 -17.322 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.864 -16.087 -8.056 1.00 0.00 H new ATOM 759 N LEU A 50 4.103 -13.065 -1.330 1.00 0.00 N ATOM 760 CA LEU A 50 5.256 -12.765 -0.488 1.00 0.00 C ATOM 761 C LEU A 50 5.126 -13.439 0.874 1.00 0.00 C ATOM 762 O LEU A 50 4.046 -13.895 1.253 1.00 0.00 O ATOM 763 CB LEU A 50 5.402 -11.253 -0.309 1.00 0.00 C ATOM 764 CG LEU A 50 6.118 -10.510 -1.438 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.058 -9.007 -1.210 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.562 -10.977 -1.552 1.00 0.00 C ATOM 0 H LEU A 50 3.253 -12.562 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 50 6.146 -13.154 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.407 -10.823 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.941 -11.068 0.620 1.00 0.00 H new ATOM 0 HG LEU A 50 5.609 -10.735 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.572 -8.495 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.017 -8.685 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.541 -8.763 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.056 -10.438 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.083 -10.782 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.583 -12.046 -1.763 1.00 0.00 H new ATOM 778 N THR A 51 6.232 -13.498 1.608 1.00 0.00 N ATOM 779 CA THR A 51 6.242 -14.115 2.928 1.00 0.00 C ATOM 780 C THR A 51 5.759 -13.139 3.995 1.00 0.00 C ATOM 781 O THR A 51 6.102 -11.957 3.969 1.00 0.00 O ATOM 782 CB THR A 51 7.650 -14.614 3.305 1.00 0.00 C ATOM 783 OG1 THR A 51 7.618 -15.246 4.589 1.00 0.00 O ATOM 784 CG2 THR A 51 8.645 -13.463 3.325 1.00 0.00 C ATOM 0 H THR A 51 7.134 -13.125 1.310 1.00 0.00 H new ATOM 0 HA THR A 51 5.563 -14.966 2.884 1.00 0.00 H new ATOM 0 HB THR A 51 7.969 -15.336 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.516 -15.562 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.632 -13.840 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.689 -13.003 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.328 -12.721 4.058 1.00 0.00 H new ATOM 792 N ARG A 52 4.962 -13.641 4.932 1.00 0.00 N ATOM 793 CA ARG A 52 4.431 -12.813 6.008 1.00 0.00 C ATOM 794 C ARG A 52 5.447 -11.756 6.432 1.00 0.00 C ATOM 795 O ARG A 52 5.126 -10.570 6.516 1.00 0.00 O ATOM 796 CB ARG A 52 4.051 -13.681 7.209 1.00 0.00 C ATOM 797 CG ARG A 52 5.205 -14.506 7.754 1.00 0.00 C ATOM 798 CD ARG A 52 4.714 -15.794 8.397 1.00 0.00 C ATOM 799 NE ARG A 52 5.602 -16.245 9.465 1.00 0.00 N ATOM 800 CZ ARG A 52 5.225 -17.072 10.434 1.00 0.00 C ATOM 801 NH1 ARG A 52 3.983 -17.535 10.469 1.00 0.00 N ATOM 802 NH2 ARG A 52 6.091 -17.437 11.371 1.00 0.00 N ATOM 0 H ARG A 52 4.670 -14.618 4.968 1.00 0.00 H new ATOM 0 HA ARG A 52 3.539 -12.308 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.667 -13.040 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.241 -14.351 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.898 -14.742 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.758 -13.920 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.713 -15.640 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.636 -16.572 7.637 1.00 0.00 H new ATOM 0 HE ARG A 52 6.564 -15.907 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.314 -17.256 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.696 -18.170 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.047 -17.083 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.800 -18.072 12.114 1.00 0.00 H new ATOM 816 N ARG A 53 6.673 -12.195 6.699 1.00 0.00 N ATOM 817 CA ARG A 53 7.735 -11.287 7.115 1.00 0.00 C ATOM 818 C ARG A 53 7.803 -10.070 6.197 1.00 0.00 C ATOM 819 O ARG A 53 7.680 -8.933 6.649 1.00 0.00 O ATOM 820 CB ARG A 53 9.083 -12.012 7.119 1.00 0.00 C ATOM 821 CG ARG A 53 9.368 -12.762 8.410 1.00 0.00 C ATOM 822 CD ARG A 53 10.749 -13.397 8.392 1.00 0.00 C ATOM 823 NE ARG A 53 10.726 -14.743 7.824 1.00 0.00 N ATOM 824 CZ ARG A 53 10.312 -15.814 8.491 1.00 0.00 C ATOM 825 NH1 ARG A 53 9.889 -15.698 9.742 1.00 0.00 N ATOM 826 NH2 ARG A 53 10.320 -17.005 7.906 1.00 0.00 N ATOM 0 H ARG A 53 6.955 -13.173 6.635 1.00 0.00 H new ATOM 0 HA ARG A 53 7.510 -10.945 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.110 -12.715 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.877 -11.285 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.292 -12.077 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.613 -13.534 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.428 -12.771 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.142 -13.439 9.408 1.00 0.00 H new ATOM 0 HE ARG A 53 11.045 -14.867 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.881 -14.784 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.572 -16.523 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.644 -17.098 6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.002 -17.827 8.419 1.00 0.00 H new ATOM 840 N GLU A 54 7.999 -10.320 4.906 1.00 0.00 N ATOM 841 CA GLU A 54 8.084 -9.244 3.925 1.00 0.00 C ATOM 842 C GLU A 54 6.912 -8.278 4.075 1.00 0.00 C ATOM 843 O GLU A 54 7.077 -7.156 4.554 1.00 0.00 O ATOM 844 CB GLU A 54 8.108 -9.818 2.507 1.00 0.00 C ATOM 845 CG GLU A 54 9.389 -10.564 2.175 1.00 0.00 C ATOM 846 CD GLU A 54 10.555 -9.632 1.908 1.00 0.00 C ATOM 847 OE1 GLU A 54 10.873 -8.812 2.794 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.149 -9.723 0.813 1.00 0.00 O ATOM 0 H GLU A 54 8.102 -11.257 4.516 1.00 0.00 H new ATOM 0 HA GLU A 54 9.009 -8.696 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.261 -10.493 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.975 -9.005 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.642 -11.229 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.223 -11.192 1.300 1.00 0.00 H new ATOM 855 N ILE A 55 5.730 -8.722 3.661 1.00 0.00 N ATOM 856 CA ILE A 55 4.532 -7.897 3.749 1.00 0.00 C ATOM 857 C ILE A 55 4.476 -7.148 5.075 1.00 0.00 C ATOM 858 O ILE A 55 4.450 -5.918 5.105 1.00 0.00 O ATOM 859 CB ILE A 55 3.254 -8.744 3.596 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.256 -9.472 2.250 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.018 -7.866 3.727 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.156 -10.502 2.118 1.00 0.00 C ATOM 0 H ILE A 55 5.577 -9.648 3.262 1.00 0.00 H new ATOM 0 HA ILE A 55 4.583 -7.178 2.931 1.00 0.00 H new ATOM 0 HB ILE A 55 3.233 -9.489 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.154 -8.739 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.220 -9.962 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.123 -8.479 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.013 -7.389 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.032 -7.101 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.219 -10.978 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.269 -11.257 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.187 -10.015 2.223 1.00 0.00 H new ATOM 874 N ASP A 56 4.460 -7.898 6.172 1.00 0.00 N ATOM 875 CA ASP A 56 4.410 -7.305 7.503 1.00 0.00 C ATOM 876 C ASP A 56 5.408 -6.158 7.625 1.00 0.00 C ATOM 877 O ASP A 56 5.058 -5.061 8.058 1.00 0.00 O ATOM 878 CB ASP A 56 4.700 -8.365 8.568 1.00 0.00 C ATOM 879 CG ASP A 56 5.335 -7.776 9.812 1.00 0.00 C ATOM 880 OD1 ASP A 56 6.530 -7.417 9.754 1.00 0.00 O ATOM 881 OD2 ASP A 56 4.639 -7.676 10.844 1.00 0.00 O ATOM 0 H ASP A 56 4.481 -8.918 6.165 1.00 0.00 H new ATOM 0 HA ASP A 56 3.407 -6.908 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.771 -8.866 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.361 -9.124 8.150 1.00 0.00 H new ATOM 886 N ALA A 57 6.653 -6.420 7.239 1.00 0.00 N ATOM 887 CA ALA A 57 7.702 -5.410 7.304 1.00 0.00 C ATOM 888 C ALA A 57 7.357 -4.205 6.436 1.00 0.00 C ATOM 889 O ALA A 57 7.468 -3.060 6.874 1.00 0.00 O ATOM 890 CB ALA A 57 9.035 -6.005 6.879 1.00 0.00 C ATOM 0 H ALA A 57 6.959 -7.323 6.878 1.00 0.00 H new ATOM 0 HA ALA A 57 7.782 -5.070 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.809 -5.239 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.294 -6.829 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.959 -6.373 5.856 1.00 0.00 H new ATOM 896 N TRP A 58 6.940 -4.470 5.203 1.00 0.00 N ATOM 897 CA TRP A 58 6.580 -3.406 4.272 1.00 0.00 C ATOM 898 C TRP A 58 5.580 -2.444 4.906 1.00 0.00 C ATOM 899 O TRP A 58 5.841 -1.246 5.014 1.00 0.00 O ATOM 900 CB TRP A 58 5.994 -3.999 2.990 1.00 0.00 C ATOM 901 CG TRP A 58 5.804 -2.987 1.901 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.716 -2.625 0.950 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.630 -2.206 1.652 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.179 -1.666 0.125 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.901 -1.392 0.534 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.377 -2.116 2.262 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.963 -0.501 0.018 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.448 -1.232 1.749 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.744 -0.434 0.635 1.00 0.00 C ATOM 0 H TRP A 58 6.843 -5.412 4.825 1.00 0.00 H new ATOM 0 HA TRP A 58 7.485 -2.850 4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.652 -4.790 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.034 -4.462 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.712 -3.033 0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.655 -1.229 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.139 -2.727 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.190 0.115 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.476 -1.154 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.995 0.246 0.257 1.00 0.00 H new ATOM 920 N PHE A 59 4.436 -2.976 5.323 1.00 0.00 N ATOM 921 CA PHE A 59 3.397 -2.164 5.945 1.00 0.00 C ATOM 922 C PHE A 59 3.976 -1.304 7.064 1.00 0.00 C ATOM 923 O PHE A 59 3.729 -0.100 7.130 1.00 0.00 O ATOM 924 CB PHE A 59 2.284 -3.057 6.496 1.00 0.00 C ATOM 925 CG PHE A 59 1.288 -3.484 5.456 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.701 -4.154 4.316 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.062 -3.217 5.619 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.787 -4.547 3.357 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.981 -3.608 4.664 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.556 -4.275 3.532 1.00 0.00 C ATOM 0 H PHE A 59 4.205 -3.966 5.241 1.00 0.00 H new ATOM 0 HA PHE A 59 2.981 -1.505 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.730 -3.944 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.762 -2.524 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.749 -4.372 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.400 -2.697 6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.122 -5.066 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.030 -3.392 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.272 -4.583 2.785 1.00 0.00 H new ATOM 940 N THR A 60 4.749 -1.932 7.945 1.00 0.00 N ATOM 941 CA THR A 60 5.362 -1.227 9.064 1.00 0.00 C ATOM 942 C THR A 60 6.233 -0.075 8.576 1.00 0.00 C ATOM 943 O THR A 60 6.332 0.961 9.233 1.00 0.00 O ATOM 944 CB THR A 60 6.219 -2.175 9.924 1.00 0.00 C ATOM 945 OG1 THR A 60 5.423 -3.271 10.387 1.00 0.00 O ATOM 946 CG2 THR A 60 6.816 -1.437 11.112 1.00 0.00 C ATOM 0 H THR A 60 4.965 -2.928 7.905 1.00 0.00 H new ATOM 0 HA THR A 60 4.549 -0.832 9.673 1.00 0.00 H new ATOM 0 HB THR A 60 7.033 -2.554 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.256 -3.890 9.646 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.417 -2.127 11.704 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.446 -0.622 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.014 -1.032 11.729 1.00 0.00 H new ATOM 954 N GLU A 61 6.862 -0.263 7.420 1.00 0.00 N ATOM 955 CA GLU A 61 7.725 0.763 6.845 1.00 0.00 C ATOM 956 C GLU A 61 6.899 1.909 6.269 1.00 0.00 C ATOM 957 O GLU A 61 7.149 3.078 6.561 1.00 0.00 O ATOM 958 CB GLU A 61 8.613 0.161 5.754 1.00 0.00 C ATOM 959 CG GLU A 61 8.894 1.113 4.604 1.00 0.00 C ATOM 960 CD GLU A 61 10.265 0.901 3.993 1.00 0.00 C ATOM 961 OE1 GLU A 61 11.268 1.258 4.645 1.00 0.00 O ATOM 962 OE2 GLU A 61 10.335 0.377 2.861 1.00 0.00 O ATOM 0 H GLU A 61 6.790 -1.115 6.864 1.00 0.00 H new ATOM 0 HA GLU A 61 8.357 1.158 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.559 -0.149 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.135 -0.737 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.133 0.982 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.814 2.140 4.960 1.00 0.00 H new ATOM 969 N LYS A 62 5.912 1.565 5.448 1.00 0.00 N ATOM 970 CA LYS A 62 5.047 2.562 4.830 1.00 0.00 C ATOM 971 C LYS A 62 4.659 3.643 5.834 1.00 0.00 C ATOM 972 O LYS A 62 4.570 4.822 5.491 1.00 0.00 O ATOM 973 CB LYS A 62 3.789 1.898 4.267 1.00 0.00 C ATOM 974 CG LYS A 62 3.222 2.604 3.048 1.00 0.00 C ATOM 975 CD LYS A 62 4.085 2.374 1.819 1.00 0.00 C ATOM 976 CE LYS A 62 3.302 2.608 0.536 1.00 0.00 C ATOM 977 NZ LYS A 62 3.167 4.059 0.226 1.00 0.00 N ATOM 0 H LYS A 62 5.692 0.602 5.195 1.00 0.00 H new ATOM 0 HA LYS A 62 5.599 3.030 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.020 0.866 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.026 1.866 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.211 2.245 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.148 3.673 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.946 3.042 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.471 1.355 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.802 2.105 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.311 2.163 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.628 4.177 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.668 4.535 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.112 4.479 0.112 1.00 0.00 H new ATOM 991 N LYS A 63 4.429 3.234 7.077 1.00 0.00 N ATOM 992 CA LYS A 63 4.053 4.166 8.133 1.00 0.00 C ATOM 993 C LYS A 63 5.060 5.308 8.235 1.00 0.00 C ATOM 994 O LYS A 63 4.683 6.473 8.362 1.00 0.00 O ATOM 995 CB LYS A 63 3.956 3.437 9.475 1.00 0.00 C ATOM 996 CG LYS A 63 2.766 2.497 9.572 1.00 0.00 C ATOM 997 CD LYS A 63 2.864 1.598 10.793 1.00 0.00 C ATOM 998 CE LYS A 63 1.615 0.745 10.958 1.00 0.00 C ATOM 999 NZ LYS A 63 1.905 -0.531 11.668 1.00 0.00 N ATOM 0 H LYS A 63 4.497 2.262 7.378 1.00 0.00 H new ATOM 0 HA LYS A 63 3.078 4.585 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.872 2.868 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.892 4.174 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.845 3.078 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.710 1.885 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.738 0.952 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.010 2.208 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.863 1.306 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.192 0.527 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.029 -1.084 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.604 -1.078 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.285 -0.324 12.614 1.00 0.00 H new ATOM 1013 N LYS A 64 6.343 4.966 8.177 1.00 0.00 N ATOM 1014 CA LYS A 64 7.405 5.962 8.260 1.00 0.00 C ATOM 1015 C LYS A 64 7.049 7.205 7.450 1.00 0.00 C ATOM 1016 O LYS A 64 7.319 8.330 7.872 1.00 0.00 O ATOM 1017 CB LYS A 64 8.725 5.373 7.757 1.00 0.00 C ATOM 1018 CG LYS A 64 9.156 4.122 8.503 1.00 0.00 C ATOM 1019 CD LYS A 64 9.962 4.464 9.745 1.00 0.00 C ATOM 1020 CE LYS A 64 9.804 3.402 10.822 1.00 0.00 C ATOM 1021 NZ LYS A 64 8.398 3.305 11.303 1.00 0.00 N ATOM 0 H LYS A 64 6.672 4.006 8.073 1.00 0.00 H new ATOM 0 HA LYS A 64 7.518 6.251 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.628 5.139 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.507 6.127 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.276 3.545 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.752 3.491 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.015 4.562 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.640 5.430 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.121 2.436 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.460 3.635 11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.389 2.953 12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.954 4.245 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.867 2.650 10.694 1.00 0.00 H new ATOM 1035 N SER A 65 6.442 6.994 6.287 1.00 0.00 N ATOM 1036 CA SER A 65 6.052 8.098 5.418 1.00 0.00 C ATOM 1037 C SER A 65 5.104 9.050 6.140 1.00 0.00 C ATOM 1038 O SER A 65 5.208 10.269 6.008 1.00 0.00 O ATOM 1039 CB SER A 65 5.386 7.564 4.148 1.00 0.00 C ATOM 1040 OG SER A 65 4.090 7.062 4.424 1.00 0.00 O ATOM 0 H SER A 65 6.210 6.069 5.925 1.00 0.00 H new ATOM 0 HA SER A 65 6.953 8.648 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.321 8.360 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.001 6.774 3.716 1.00 0.00 H new ATOM 0 HG SER A 65 4.157 6.310 5.049 1.00 0.00 H new ATOM 1046 N LYS A 66 4.177 8.484 6.906 1.00 0.00 N ATOM 1047 CA LYS A 66 3.210 9.279 7.653 1.00 0.00 C ATOM 1048 C LYS A 66 3.908 10.376 8.451 1.00 0.00 C ATOM 1049 O LYS A 66 3.326 11.426 8.721 1.00 0.00 O ATOM 1050 CB LYS A 66 2.401 8.384 8.594 1.00 0.00 C ATOM 1051 CG LYS A 66 0.994 8.893 8.857 1.00 0.00 C ATOM 1052 CD LYS A 66 0.075 8.626 7.676 1.00 0.00 C ATOM 1053 CE LYS A 66 -1.301 9.238 7.892 1.00 0.00 C ATOM 1054 NZ LYS A 66 -2.103 8.466 8.880 1.00 0.00 N ATOM 0 H LYS A 66 4.075 7.476 7.026 1.00 0.00 H new ATOM 0 HA LYS A 66 2.534 9.749 6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.342 7.382 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.930 8.296 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.592 8.411 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.025 9.963 9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.518 9.036 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.023 7.551 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.191 10.266 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.834 9.276 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.033 8.915 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.230 7.492 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.607 8.451 9.794 1.00 0.00 H new ATOM 1068 N ALA A 67 5.158 10.125 8.825 1.00 0.00 N ATOM 1069 CA ALA A 67 5.935 11.092 9.589 1.00 0.00 C ATOM 1070 C ALA A 67 6.421 12.232 8.700 1.00 0.00 C ATOM 1071 O ALA A 67 5.902 13.347 8.764 1.00 0.00 O ATOM 1072 CB ALA A 67 7.115 10.407 10.263 1.00 0.00 C ATOM 0 H ALA A 67 5.654 9.260 8.611 1.00 0.00 H new ATOM 0 HA ALA A 67 5.287 11.515 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.687 11.142 10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.750 9.632 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.755 9.956 9.505 1.00 0.00 H new ATOM 1078 N LEU A 68 7.418 11.945 7.871 1.00 0.00 N ATOM 1079 CA LEU A 68 7.975 12.947 6.968 1.00 0.00 C ATOM 1080 C LEU A 68 7.935 14.334 7.603 1.00 0.00 C ATOM 1081 O LEU A 68 7.631 15.324 6.938 1.00 0.00 O ATOM 1082 CB LEU A 68 7.203 12.956 5.647 1.00 0.00 C ATOM 1083 CG LEU A 68 7.393 11.732 4.751 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.385 11.743 3.612 1.00 0.00 C ATOM 1085 CD2 LEU A 68 8.813 11.683 4.208 1.00 0.00 C ATOM 0 H LEU A 68 7.858 11.027 7.805 1.00 0.00 H new ATOM 0 HA LEU A 68 9.015 12.687 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.141 13.056 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.496 13.842 5.084 1.00 0.00 H new ATOM 0 HG LEU A 68 7.224 10.837 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.535 10.864 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.374 11.729 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.522 12.644 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.929 10.805 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.011 12.582 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.518 11.627 5.037 1.00 0.00 H new ATOM 1097 N LYS A 69 8.247 14.397 8.893 1.00 0.00 N ATOM 1098 CA LYS A 69 8.251 15.662 9.618 1.00 0.00 C ATOM 1099 C LYS A 69 7.160 16.592 9.097 1.00 0.00 C ATOM 1100 O LYS A 69 7.413 17.762 8.812 1.00 0.00 O ATOM 1101 CB LYS A 69 9.617 16.341 9.492 1.00 0.00 C ATOM 1102 CG LYS A 69 9.988 17.188 10.697 1.00 0.00 C ATOM 1103 CD LYS A 69 10.744 16.378 11.737 1.00 0.00 C ATOM 1104 CE LYS A 69 11.033 17.202 12.983 1.00 0.00 C ATOM 1105 NZ LYS A 69 9.795 17.485 13.760 1.00 0.00 N ATOM 0 H LYS A 69 8.500 13.586 9.458 1.00 0.00 H new ATOM 0 HA LYS A 69 8.052 15.450 10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.381 15.577 9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.620 16.970 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.600 18.031 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.084 17.602 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.161 15.498 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.681 16.020 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.744 16.669 13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.504 18.142 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.043 17.670 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.318 18.318 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.158 16.664 13.710 1.00 0.00 H new ATOM 1119 N GLU A 70 5.946 16.063 8.975 1.00 0.00 N ATOM 1120 CA GLU A 70 4.817 16.847 8.489 1.00 0.00 C ATOM 1121 C GLU A 70 4.365 17.859 9.538 1.00 0.00 C ATOM 1122 O GLU A 70 4.959 17.963 10.611 1.00 0.00 O ATOM 1123 CB GLU A 70 3.652 15.928 8.116 1.00 0.00 C ATOM 1124 CG GLU A 70 3.034 15.215 9.307 1.00 0.00 C ATOM 1125 CD GLU A 70 1.868 14.327 8.916 1.00 0.00 C ATOM 1126 OE1 GLU A 70 1.271 14.569 7.846 1.00 0.00 O ATOM 1127 OE2 GLU A 70 1.554 13.390 9.680 1.00 0.00 O ATOM 0 H GLU A 70 5.720 15.096 9.206 1.00 0.00 H new ATOM 0 HA GLU A 70 5.141 17.390 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.882 16.516 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.002 15.185 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.796 14.611 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.695 15.955 10.032 1.00 0.00 H new ATOM 1134 N GLU A 71 3.311 18.603 9.219 1.00 0.00 N ATOM 1135 CA GLU A 71 2.780 19.607 10.133 1.00 0.00 C ATOM 1136 C GLU A 71 2.089 18.949 11.323 1.00 0.00 C ATOM 1137 O GLU A 71 1.755 17.764 11.285 1.00 0.00 O ATOM 1138 CB GLU A 71 1.798 20.526 9.403 1.00 0.00 C ATOM 1139 CG GLU A 71 0.481 19.854 9.055 1.00 0.00 C ATOM 1140 CD GLU A 71 -0.266 20.573 7.947 1.00 0.00 C ATOM 1141 OE1 GLU A 71 0.093 20.379 6.767 1.00 0.00 O ATOM 1142 OE2 GLU A 71 -1.208 21.329 8.261 1.00 0.00 O ATOM 0 H GLU A 71 2.808 18.529 8.335 1.00 0.00 H new ATOM 0 HA GLU A 71 3.615 20.201 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.598 21.398 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.265 20.888 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.672 18.825 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.148 19.812 9.944 1.00 0.00 H new ATOM 1149 N LYS A 72 1.876 19.725 12.380 1.00 0.00 N ATOM 1150 CA LYS A 72 1.224 19.220 13.583 1.00 0.00 C ATOM 1151 C LYS A 72 1.954 17.995 14.124 1.00 0.00 C ATOM 1152 O LYS A 72 1.329 16.999 14.487 1.00 0.00 O ATOM 1153 CB LYS A 72 -0.236 18.868 13.286 1.00 0.00 C ATOM 1154 CG LYS A 72 -1.183 20.048 13.412 1.00 0.00 C ATOM 1155 CD LYS A 72 -2.615 19.650 13.093 1.00 0.00 C ATOM 1156 CE LYS A 72 -3.344 19.151 14.331 1.00 0.00 C ATOM 1157 NZ LYS A 72 -2.866 17.805 14.751 1.00 0.00 N ATOM 0 H LYS A 72 2.146 20.708 12.428 1.00 0.00 H new ATOM 0 HA LYS A 72 1.256 20.003 14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.305 18.463 12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.557 18.081 13.968 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.133 20.450 14.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.867 20.843 12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.147 20.505 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.616 18.871 12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.200 19.859 15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.415 19.110 14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.642 17.289 15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.546 17.274 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.075 17.910 15.418 1.00 0.00 H new ATOM 1171 N MET A 73 3.279 18.076 14.175 1.00 0.00 N ATOM 1172 CA MET A 73 4.093 16.974 14.675 1.00 0.00 C ATOM 1173 C MET A 73 5.180 17.484 15.615 1.00 0.00 C ATOM 1174 O MET A 73 5.698 18.586 15.440 1.00 0.00 O ATOM 1175 CB MET A 73 4.727 16.211 13.510 1.00 0.00 C ATOM 1176 CG MET A 73 3.831 15.127 12.934 1.00 0.00 C ATOM 1177 SD MET A 73 3.904 13.592 13.878 1.00 0.00 S ATOM 1178 CE MET A 73 5.437 12.894 13.270 1.00 0.00 C ATOM 0 H MET A 73 3.812 18.893 13.876 1.00 0.00 H new ATOM 0 HA MET A 73 3.443 16.299 15.232 1.00 0.00 H new ATOM 0 HB2 MET A 73 4.983 16.917 12.720 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.660 15.759 13.847 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.802 15.486 12.910 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.123 14.929 11.903 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.501 11.846 13.562 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.465 12.970 12.183 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.279 13.441 13.694 1.00 0.00 H new ATOM 1188 N GLU A 74 5.521 16.674 16.613 1.00 0.00 N ATOM 1189 CA GLU A 74 6.546 17.046 17.582 1.00 0.00 C ATOM 1190 C GLU A 74 7.568 15.925 17.749 1.00 0.00 C ATOM 1191 O GLU A 74 7.218 14.800 18.106 1.00 0.00 O ATOM 1192 CB GLU A 74 5.907 17.374 18.933 1.00 0.00 C ATOM 1193 CG GLU A 74 5.080 16.237 19.507 1.00 0.00 C ATOM 1194 CD GLU A 74 4.246 16.667 20.699 1.00 0.00 C ATOM 1195 OE1 GLU A 74 4.817 17.249 21.644 1.00 0.00 O ATOM 1196 OE2 GLU A 74 3.021 16.421 20.685 1.00 0.00 O ATOM 0 H GLU A 74 5.103 15.757 16.772 1.00 0.00 H new ATOM 0 HA GLU A 74 7.060 17.931 17.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.692 17.635 19.643 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.272 18.253 18.821 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.423 15.843 18.732 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.743 15.425 19.806 1.00 0.00 H new ATOM 1203 N ILE A 75 8.832 16.241 17.488 1.00 0.00 N ATOM 1204 CA ILE A 75 9.905 15.262 17.609 1.00 0.00 C ATOM 1205 C ILE A 75 11.014 15.773 18.522 1.00 0.00 C ATOM 1206 O ILE A 75 11.440 16.923 18.415 1.00 0.00 O ATOM 1207 CB ILE A 75 10.506 14.912 16.235 1.00 0.00 C ATOM 1208 CG1 ILE A 75 9.427 14.344 15.312 1.00 0.00 C ATOM 1209 CG2 ILE A 75 11.650 13.921 16.395 1.00 0.00 C ATOM 1210 CD1 ILE A 75 8.760 13.100 15.855 1.00 0.00 C ATOM 0 H ILE A 75 9.138 17.168 17.191 1.00 0.00 H new ATOM 0 HA ILE A 75 9.465 14.364 18.043 1.00 0.00 H new ATOM 0 HB ILE A 75 10.900 15.823 15.784 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.668 15.108 15.141 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.873 14.114 14.344 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.065 13.683 15.416 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.427 14.360 17.021 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.279 13.009 16.863 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.006 12.753 15.148 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.508 12.320 16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.285 13.329 16.809 1.00 0.00 H new ATOM 1222 N ASP A 76 11.479 14.910 19.419 1.00 0.00 N ATOM 1223 CA ASP A 76 12.542 15.273 20.349 1.00 0.00 C ATOM 1224 C ASP A 76 13.867 15.458 19.616 1.00 0.00 C ATOM 1225 O ASP A 76 14.073 14.900 18.539 1.00 0.00 O ATOM 1226 CB ASP A 76 12.689 14.202 21.431 1.00 0.00 C ATOM 1227 CG ASP A 76 13.294 14.749 22.709 1.00 0.00 C ATOM 1228 OD1 ASP A 76 12.969 15.898 23.075 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.091 14.028 23.344 1.00 0.00 O ATOM 0 H ASP A 76 11.137 13.955 19.522 1.00 0.00 H new ATOM 0 HA ASP A 76 12.273 16.219 20.818 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.711 13.774 21.650 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.314 13.392 21.054 1.00 0.00 H new ATOM 1234 N GLU A 77 14.760 16.246 20.206 1.00 0.00 N ATOM 1235 CA GLU A 77 16.063 16.506 19.607 1.00 0.00 C ATOM 1236 C GLU A 77 17.026 15.353 19.877 1.00 0.00 C ATOM 1237 O GLU A 77 17.485 15.164 21.003 1.00 0.00 O ATOM 1238 CB GLU A 77 16.649 17.811 20.151 1.00 0.00 C ATOM 1239 CG GLU A 77 16.842 17.810 21.658 1.00 0.00 C ATOM 1240 CD GLU A 77 16.920 19.209 22.237 1.00 0.00 C ATOM 1241 OE1 GLU A 77 15.859 19.770 22.582 1.00 0.00 O ATOM 1242 OE2 GLU A 77 18.044 19.743 22.345 1.00 0.00 O ATOM 0 H GLU A 77 14.605 16.715 21.098 1.00 0.00 H new ATOM 0 HA GLU A 77 15.926 16.599 18.530 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.610 17.996 19.670 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.991 18.636 19.878 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.017 17.273 22.126 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.755 17.268 21.903 1.00 0.00 H new ATOM 1249 N SER A 78 17.325 14.584 18.835 1.00 0.00 N ATOM 1250 CA SER A 78 18.229 13.446 18.959 1.00 0.00 C ATOM 1251 C SER A 78 19.429 13.602 18.031 1.00 0.00 C ATOM 1252 O SER A 78 19.421 14.431 17.122 1.00 0.00 O ATOM 1253 CB SER A 78 17.491 12.144 18.642 1.00 0.00 C ATOM 1254 OG SER A 78 17.257 12.016 17.250 1.00 0.00 O ATOM 0 H SER A 78 16.955 14.728 17.896 1.00 0.00 H new ATOM 0 HA SER A 78 18.589 13.410 19.987 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.077 11.295 18.995 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.542 12.121 19.177 1.00 0.00 H new ATOM 0 HG SER A 78 16.786 11.175 17.073 1.00 0.00 H new ATOM 1260 N ASN A 79 20.461 12.798 18.267 1.00 0.00 N ATOM 1261 CA ASN A 79 21.670 12.846 17.454 1.00 0.00 C ATOM 1262 C ASN A 79 21.469 12.104 16.136 1.00 0.00 C ATOM 1263 O ASN A 79 21.259 10.892 16.120 1.00 0.00 O ATOM 1264 CB ASN A 79 22.849 12.240 18.218 1.00 0.00 C ATOM 1265 CG ASN A 79 22.926 12.735 19.649 1.00 0.00 C ATOM 1266 OD1 ASN A 79 23.302 13.880 19.903 1.00 0.00 O ATOM 1267 ND2 ASN A 79 22.568 11.872 20.594 1.00 0.00 N ATOM 0 H ASN A 79 20.484 12.105 19.015 1.00 0.00 H new ATOM 0 HA ASN A 79 21.888 13.891 17.233 1.00 0.00 H new ATOM 0 HB2 ASN A 79 22.760 11.154 18.216 1.00 0.00 H new ATOM 0 HB3 ASN A 79 23.777 12.484 17.701 1.00 0.00 H new ATOM 0 HD21 ASN A 79 22.598 12.149 21.575 1.00 0.00 H new ATOM 0 HD22 ASN A 79 22.263 10.933 20.338 1.00 0.00 H new ATOM 1274 N ALA A 80 21.535 12.841 15.032 1.00 0.00 N ATOM 1275 CA ALA A 80 21.363 12.253 13.709 1.00 0.00 C ATOM 1276 C ALA A 80 22.183 13.002 12.665 1.00 0.00 C ATOM 1277 O ALA A 80 22.021 14.207 12.481 1.00 0.00 O ATOM 1278 CB ALA A 80 19.891 12.247 13.322 1.00 0.00 C ATOM 0 H ALA A 80 21.706 13.846 15.028 1.00 0.00 H new ATOM 0 HA ALA A 80 21.722 11.225 13.746 1.00 0.00 H new ATOM 0 HB1 ALA A 80 19.777 11.805 12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 80 19.326 11.662 14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 80 19.514 13.270 13.309 1.00 0.00 H new ATOM 1284 N GLY A 81 23.066 12.278 11.983 1.00 0.00 N ATOM 1285 CA GLY A 81 23.900 12.892 10.965 1.00 0.00 C ATOM 1286 C GLY A 81 24.143 11.973 9.784 1.00 0.00 C ATOM 1287 O GLY A 81 23.919 12.356 8.635 1.00 0.00 O ATOM 0 H GLY A 81 23.219 11.278 12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 81 23.426 13.810 10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 81 24.857 13.174 11.405 1.00 0.00 H new ATOM 1291 N SER A 82 24.604 10.759 10.065 1.00 0.00 N ATOM 1292 CA SER A 82 24.883 9.785 9.016 1.00 0.00 C ATOM 1293 C SER A 82 23.799 9.817 7.943 1.00 0.00 C ATOM 1294 O SER A 82 22.607 9.799 8.249 1.00 0.00 O ATOM 1295 CB SER A 82 24.987 8.379 9.610 1.00 0.00 C ATOM 1296 OG SER A 82 23.744 7.959 10.145 1.00 0.00 O ATOM 0 H SER A 82 24.792 10.426 11.010 1.00 0.00 H new ATOM 0 HA SER A 82 25.835 10.048 8.555 1.00 0.00 H new ATOM 0 HB2 SER A 82 25.311 7.678 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 82 25.746 8.366 10.392 1.00 0.00 H new ATOM 0 HG SER A 82 23.016 8.432 9.690 1.00 0.00 H new ATOM 1302 N SER A 83 24.223 9.865 6.684 1.00 0.00 N ATOM 1303 CA SER A 83 23.290 9.903 5.564 1.00 0.00 C ATOM 1304 C SER A 83 23.994 9.547 4.258 1.00 0.00 C ATOM 1305 O SER A 83 24.995 10.163 3.892 1.00 0.00 O ATOM 1306 CB SER A 83 22.652 11.289 5.452 1.00 0.00 C ATOM 1307 OG SER A 83 21.658 11.313 4.442 1.00 0.00 O ATOM 0 H SER A 83 25.207 9.878 6.414 1.00 0.00 H new ATOM 0 HA SER A 83 22.509 9.165 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.210 11.568 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.420 12.029 5.228 1.00 0.00 H new ATOM 0 HG SER A 83 21.264 12.209 4.392 1.00 0.00 H new ATOM 1313 N SER A 84 23.461 8.550 3.559 1.00 0.00 N ATOM 1314 CA SER A 84 24.040 8.109 2.295 1.00 0.00 C ATOM 1315 C SER A 84 23.082 8.375 1.138 1.00 0.00 C ATOM 1316 O SER A 84 21.865 8.380 1.313 1.00 0.00 O ATOM 1317 CB SER A 84 24.379 6.618 2.359 1.00 0.00 C ATOM 1318 OG SER A 84 24.723 6.119 1.078 1.00 0.00 O ATOM 0 H SER A 84 22.630 8.033 3.846 1.00 0.00 H new ATOM 0 HA SER A 84 24.955 8.676 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.207 6.459 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.526 6.064 2.752 1.00 0.00 H new ATOM 0 HG SER A 84 24.937 5.165 1.145 1.00 0.00 H new ATOM 1324 N GLY A 85 23.643 8.595 -0.048 1.00 0.00 N ATOM 1325 CA GLY A 85 22.826 8.859 -1.218 1.00 0.00 C ATOM 1326 C GLY A 85 23.642 8.915 -2.494 1.00 0.00 C ATOM 1327 O GLY A 85 24.030 9.986 -2.961 1.00 0.00 O ATOM 0 H GLY A 85 24.649 8.595 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 85 22.067 8.082 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 85 22.301 9.805 -1.085 1.00 0.00 H new ATOM 1331 N PRO A 86 23.915 7.739 -3.078 1.00 0.00 N ATOM 1332 CA PRO A 86 24.694 7.632 -4.315 1.00 0.00 C ATOM 1333 C PRO A 86 23.937 8.169 -5.525 1.00 0.00 C ATOM 1334 O PRO A 86 22.768 7.845 -5.732 1.00 0.00 O ATOM 1335 CB PRO A 86 24.930 6.127 -4.457 1.00 0.00 C ATOM 1336 CG PRO A 86 23.803 5.495 -3.716 1.00 0.00 C ATOM 1337 CD PRO A 86 23.485 6.424 -2.576 1.00 0.00 C ATOM 0 HA PRO A 86 25.612 8.219 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 86 24.935 5.824 -5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 86 25.893 5.836 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.937 5.361 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.082 4.508 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.422 6.414 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.021 6.145 -1.669 1.00 0.00 H new ATOM 1345 N SER A 87 24.611 8.992 -6.323 1.00 0.00 N ATOM 1346 CA SER A 87 24.000 9.576 -7.511 1.00 0.00 C ATOM 1347 C SER A 87 24.398 8.800 -8.763 1.00 0.00 C ATOM 1348 O SER A 87 25.520 8.305 -8.870 1.00 0.00 O ATOM 1349 CB SER A 87 24.412 11.042 -7.653 1.00 0.00 C ATOM 1350 OG SER A 87 23.774 11.848 -6.678 1.00 0.00 O ATOM 0 H SER A 87 25.580 9.269 -6.168 1.00 0.00 H new ATOM 0 HA SER A 87 22.917 9.520 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 87 25.494 11.130 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 87 24.155 11.400 -8.650 1.00 0.00 H new ATOM 0 HG SER A 87 24.055 12.780 -6.789 1.00 0.00 H new ATOM 1356 N SER A 88 23.469 8.700 -9.709 1.00 0.00 N ATOM 1357 CA SER A 88 23.720 7.982 -10.953 1.00 0.00 C ATOM 1358 C SER A 88 22.539 8.123 -11.909 1.00 0.00 C ATOM 1359 O SER A 88 21.381 8.063 -11.497 1.00 0.00 O ATOM 1360 CB SER A 88 23.985 6.502 -10.668 1.00 0.00 C ATOM 1361 OG SER A 88 24.621 5.877 -11.769 1.00 0.00 O ATOM 0 H SER A 88 22.536 9.107 -9.637 1.00 0.00 H new ATOM 0 HA SER A 88 24.601 8.418 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.610 6.406 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.044 5.996 -10.452 1.00 0.00 H new ATOM 0 HG SER A 88 24.781 4.933 -11.561 1.00 0.00 H new ATOM 1367 N GLY A 89 22.842 8.312 -13.190 1.00 0.00 N ATOM 1368 CA GLY A 89 21.797 8.460 -14.185 1.00 0.00 C ATOM 1369 C GLY A 89 20.980 9.722 -13.986 1.00 0.00 C ATOM 1370 O GLY A 89 19.823 9.792 -14.401 1.00 0.00 O ATOM 0 H GLY A 89 23.793 8.365 -13.556 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.245 8.474 -15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.137 7.594 -14.145 1.00 0.00 H new TER 1374 GLY A 89