USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.113 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0316 (180deg=-0.271) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00659 USER MOD Single : A 14 LYS NZ :NH3+ 135:sc= 0.759 (180deg=0.0463) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= -0.612 (180deg=-2.76!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 29 SER OG : rot -50:sc= 1.62 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.331) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 73:sc= 0.172 USER MOD Single : A 46 MET CE :methyl -147:sc= -0.215 (180deg=-1.15) USER MOD Single : A 47 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.0041) USER MOD Single : A 55 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.28) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.165 X(o=0.16,f=-0.034) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 129:sc= -0.275 USER MOD Single : A 68 GLN : amide:sc= -3.75! K(o=-3.8!,f=-0.55) USER MOD Single : A 69 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.293 -3.532 9.540 1.00 0.00 N ATOM 2 CA ALA A 1 -6.841 -4.349 8.422 1.00 71.14 C ATOM 3 C ALA A 1 -6.483 -5.759 8.881 1.00 32.24 C ATOM 4 O ALA A 1 -6.363 -6.021 10.078 1.00 15.41 O ATOM 5 CB ALA A 1 -5.648 -3.697 7.739 1.00 54.41 C ATOM 0 H1 ALA A 1 -8.276 -3.235 9.378 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.239 -4.086 10.419 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.687 -2.691 9.623 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.660 -4.424 7.706 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.321 -4.319 6.906 1.00 54.41 H new ATOM 0 HB2 ALA A 1 -5.934 -2.713 7.367 1.00 54.41 H new ATOM 0 HB3 ALA A 1 -4.832 -3.591 8.454 1.00 54.41 H new ATOM 11 N LYS A 2 -6.314 -6.663 7.923 1.00 73.24 N ATOM 12 CA LYS A 2 -5.969 -8.047 8.229 1.00 72.24 C ATOM 13 C LYS A 2 -4.559 -8.375 7.750 1.00 74.30 C ATOM 14 O LYS A 2 -4.015 -7.698 6.877 1.00 13.04 O ATOM 15 CB LYS A 2 -6.975 -9.000 7.580 1.00 63.53 C ATOM 16 CG LYS A 2 -7.282 -8.665 6.130 1.00 61.44 C ATOM 17 CD LYS A 2 -8.573 -7.876 6.002 1.00 21.00 C ATOM 18 CE LYS A 2 -9.783 -8.795 5.933 1.00 4.52 C ATOM 19 NZ LYS A 2 -10.033 -9.280 4.547 1.00 15.21 N ATOM 0 H LYS A 2 -6.410 -6.463 6.927 1.00 73.24 H new ATOM 0 HA LYS A 2 -6.004 -8.173 9.311 1.00 72.24 H new ATOM 0 HB2 LYS A 2 -6.587 -10.017 7.635 1.00 63.53 H new ATOM 0 HB3 LYS A 2 -7.902 -8.981 8.153 1.00 63.53 H new ATOM 0 HG2 LYS A 2 -6.459 -8.089 5.707 1.00 61.44 H new ATOM 0 HG3 LYS A 2 -7.358 -9.585 5.551 1.00 61.44 H new ATOM 0 HD2 LYS A 2 -8.675 -7.202 6.853 1.00 21.00 H new ATOM 0 HD3 LYS A 2 -8.534 -7.256 5.107 1.00 21.00 H new ATOM 0 HE2 LYS A 2 -9.629 -9.648 6.594 1.00 4.52 H new ATOM 0 HE3 LYS A 2 -10.663 -8.265 6.296 1.00 4.52 H new ATOM 0 HZ1 LYS A 2 -10.866 -9.903 4.542 1.00 15.21 H new ATOM 0 HZ2 LYS A 2 -10.205 -8.468 3.921 1.00 15.21 H new ATOM 0 HZ3 LYS A 2 -9.203 -9.808 4.209 1.00 15.21 H new ATOM 33 N LYS A 3 -3.971 -9.419 8.325 1.00 3.31 N ATOM 34 CA LYS A 3 -2.625 -9.839 7.955 1.00 73.32 C ATOM 35 C LYS A 3 -2.562 -10.229 6.482 1.00 51.14 C ATOM 36 O LYS A 3 -1.506 -10.154 5.855 1.00 60.51 O ATOM 37 CB LYS A 3 -2.179 -11.017 8.825 1.00 41.22 C ATOM 38 CG LYS A 3 -3.125 -12.204 8.773 1.00 71.04 C ATOM 39 CD LYS A 3 -4.034 -12.246 9.989 1.00 14.41 C ATOM 40 CE LYS A 3 -4.459 -13.669 10.318 1.00 71.11 C ATOM 41 NZ LYS A 3 -5.899 -13.747 10.691 1.00 1.11 N ATOM 0 H LYS A 3 -4.406 -9.990 9.050 1.00 3.31 H new ATOM 0 HA LYS A 3 -1.951 -8.998 8.119 1.00 73.32 H new ATOM 0 HB2 LYS A 3 -1.188 -11.339 8.506 1.00 41.22 H new ATOM 0 HB3 LYS A 3 -2.088 -10.681 9.858 1.00 41.22 H new ATOM 0 HG2 LYS A 3 -3.729 -12.149 7.868 1.00 71.04 H new ATOM 0 HG3 LYS A 3 -2.549 -13.127 8.716 1.00 71.04 H new ATOM 0 HD2 LYS A 3 -3.518 -11.812 10.845 1.00 14.41 H new ATOM 0 HD3 LYS A 3 -4.917 -11.634 9.806 1.00 14.41 H new ATOM 0 HE2 LYS A 3 -4.272 -14.312 9.458 1.00 71.11 H new ATOM 0 HE3 LYS A 3 -3.850 -14.049 11.139 1.00 71.11 H new ATOM 0 HZ1 LYS A 3 -6.149 -14.733 10.908 1.00 1.11 H new ATOM 0 HZ2 LYS A 3 -6.074 -13.154 11.527 1.00 1.11 H new ATOM 0 HZ3 LYS A 3 -6.482 -13.409 9.899 1.00 1.11 H new ATOM 55 N GLU A 4 -3.700 -10.644 5.935 1.00 14.11 N ATOM 56 CA GLU A 4 -3.773 -11.045 4.535 1.00 33.14 C ATOM 57 C GLU A 4 -3.659 -9.833 3.616 1.00 13.52 C ATOM 58 O GLU A 4 -2.927 -9.855 2.626 1.00 71.03 O ATOM 59 CB GLU A 4 -5.084 -11.785 4.261 1.00 63.15 C ATOM 60 CG GLU A 4 -5.212 -13.097 5.018 1.00 40.12 C ATOM 61 CD GLU A 4 -6.654 -13.528 5.198 1.00 15.43 C ATOM 62 OE1 GLU A 4 -7.548 -12.851 4.648 1.00 55.40 O ATOM 63 OE2 GLU A 4 -6.890 -14.541 5.890 1.00 24.43 O ATOM 0 H GLU A 4 -4.584 -10.711 6.440 1.00 14.11 H new ATOM 0 HA GLU A 4 -2.937 -11.714 4.331 1.00 33.14 H new ATOM 0 HB2 GLU A 4 -5.919 -11.138 4.528 1.00 63.15 H new ATOM 0 HB3 GLU A 4 -5.163 -11.983 3.192 1.00 63.15 H new ATOM 0 HG2 GLU A 4 -4.668 -13.875 4.483 1.00 40.12 H new ATOM 0 HG3 GLU A 4 -4.742 -12.995 5.996 1.00 40.12 H new ATOM 70 N THR A 5 -4.390 -8.773 3.950 1.00 22.30 N ATOM 71 CA THR A 5 -4.373 -7.552 3.155 1.00 44.11 C ATOM 72 C THR A 5 -2.976 -6.944 3.109 1.00 74.51 C ATOM 73 O THR A 5 -2.515 -6.501 2.056 1.00 73.31 O ATOM 74 CB THR A 5 -5.357 -6.505 3.712 1.00 44.05 C ATOM 75 OG1 THR A 5 -6.690 -7.028 3.692 1.00 43.51 O ATOM 76 CG2 THR A 5 -5.299 -5.221 2.898 1.00 71.24 C ATOM 0 H THR A 5 -5.001 -8.736 4.766 1.00 22.30 H new ATOM 0 HA THR A 5 -4.679 -7.829 2.146 1.00 44.11 H new ATOM 0 HB THR A 5 -5.070 -6.279 4.739 1.00 44.05 H new ATOM 0 HG1 THR A 5 -7.328 -6.293 3.576 1.00 43.51 H new ATOM 0 HG21 THR A 5 -6.002 -4.497 3.310 1.00 71.24 H new ATOM 0 HG22 THR A 5 -4.290 -4.810 2.938 1.00 71.24 H new ATOM 0 HG23 THR A 5 -5.563 -5.435 1.862 1.00 71.24 H new ATOM 84 N ILE A 6 -2.306 -6.928 4.256 1.00 63.54 N ATOM 85 CA ILE A 6 -0.959 -6.376 4.346 1.00 61.53 C ATOM 86 C ILE A 6 -0.011 -7.080 3.380 1.00 73.12 C ATOM 87 O ILE A 6 0.820 -6.442 2.733 1.00 2.33 O ATOM 88 CB ILE A 6 -0.397 -6.493 5.775 1.00 4.42 C ATOM 89 CG1 ILE A 6 -1.335 -5.810 6.773 1.00 44.23 C ATOM 90 CG2 ILE A 6 0.996 -5.883 5.847 1.00 53.53 C ATOM 91 CD1 ILE A 6 -1.011 -6.120 8.217 1.00 61.21 C ATOM 0 H ILE A 6 -2.673 -7.291 5.136 1.00 63.54 H new ATOM 0 HA ILE A 6 -1.031 -5.322 4.078 1.00 61.53 H new ATOM 0 HB ILE A 6 -0.325 -7.549 6.036 1.00 4.42 H new ATOM 0 HG12 ILE A 6 -1.289 -4.731 6.622 1.00 44.23 H new ATOM 0 HG13 ILE A 6 -2.360 -6.118 6.565 1.00 44.23 H new ATOM 0 HG21 ILE A 6 1.381 -5.973 6.863 1.00 53.53 H new ATOM 0 HG22 ILE A 6 1.659 -6.409 5.160 1.00 53.53 H new ATOM 0 HG23 ILE A 6 0.947 -4.830 5.570 1.00 53.53 H new ATOM 0 HD11 ILE A 6 -1.716 -5.602 8.867 1.00 61.21 H new ATOM 0 HD12 ILE A 6 -1.085 -7.195 8.384 1.00 61.21 H new ATOM 0 HD13 ILE A 6 0.002 -5.787 8.442 1.00 61.21 H new ATOM 103 N ASP A 7 -0.142 -8.399 3.287 1.00 4.35 N ATOM 104 CA ASP A 7 0.701 -9.190 2.397 1.00 34.13 C ATOM 105 C ASP A 7 0.488 -8.783 0.942 1.00 34.40 C ATOM 106 O ASP A 7 1.431 -8.749 0.152 1.00 50.44 O ATOM 107 CB ASP A 7 0.404 -10.680 2.571 1.00 75.00 C ATOM 108 CG ASP A 7 1.488 -11.559 1.981 1.00 64.25 C ATOM 109 OD1 ASP A 7 2.680 -11.264 2.208 1.00 34.50 O ATOM 110 OD2 ASP A 7 1.146 -12.541 1.288 1.00 20.13 O ATOM 0 H ASP A 7 -0.823 -8.943 3.817 1.00 4.35 H new ATOM 0 HA ASP A 7 1.742 -9.001 2.659 1.00 34.13 H new ATOM 0 HB2 ASP A 7 0.296 -10.904 3.632 1.00 75.00 H new ATOM 0 HB3 ASP A 7 -0.549 -10.915 2.097 1.00 75.00 H new ATOM 115 N LYS A 8 -0.757 -8.475 0.595 1.00 13.03 N ATOM 116 CA LYS A 8 -1.096 -8.070 -0.763 1.00 63.42 C ATOM 117 C LYS A 8 -0.422 -6.749 -1.121 1.00 14.35 C ATOM 118 O LYS A 8 0.273 -6.647 -2.131 1.00 41.14 O ATOM 119 CB LYS A 8 -2.612 -7.940 -0.917 1.00 14.32 C ATOM 120 CG LYS A 8 -3.384 -9.114 -0.342 1.00 75.14 C ATOM 121 CD LYS A 8 -4.631 -9.415 -1.156 1.00 14.35 C ATOM 122 CE LYS A 8 -4.289 -10.102 -2.468 1.00 73.04 C ATOM 123 NZ LYS A 8 -3.762 -11.478 -2.251 1.00 63.43 N ATOM 0 H LYS A 8 -1.549 -8.498 1.237 1.00 13.03 H new ATOM 0 HA LYS A 8 -0.734 -8.839 -1.445 1.00 63.42 H new ATOM 0 HB2 LYS A 8 -2.941 -7.024 -0.427 1.00 14.32 H new ATOM 0 HB3 LYS A 8 -2.854 -7.840 -1.975 1.00 14.32 H new ATOM 0 HG2 LYS A 8 -2.743 -9.995 -0.318 1.00 75.14 H new ATOM 0 HG3 LYS A 8 -3.665 -8.896 0.688 1.00 75.14 H new ATOM 0 HD2 LYS A 8 -5.301 -10.050 -0.576 1.00 14.35 H new ATOM 0 HD3 LYS A 8 -5.167 -8.488 -1.359 1.00 14.35 H new ATOM 0 HE2 LYS A 8 -5.178 -10.148 -3.097 1.00 73.04 H new ATOM 0 HE3 LYS A 8 -3.549 -9.510 -3.006 1.00 73.04 H new ATOM 0 HZ1 LYS A 8 -3.827 -12.018 -3.137 1.00 63.43 H new ATOM 0 HZ2 LYS A 8 -2.768 -11.426 -1.949 1.00 63.43 H new ATOM 0 HZ3 LYS A 8 -4.323 -11.952 -1.515 1.00 63.43 H new ATOM 137 N VAL A 9 -0.634 -5.737 -0.284 1.00 23.01 N ATOM 138 CA VAL A 9 -0.045 -4.422 -0.511 1.00 14.31 C ATOM 139 C VAL A 9 1.478 -4.486 -0.465 1.00 53.43 C ATOM 140 O VAL A 9 2.155 -4.055 -1.398 1.00 35.12 O ATOM 141 CB VAL A 9 -0.537 -3.401 0.533 1.00 42.23 C ATOM 142 CG1 VAL A 9 -0.046 -2.004 0.183 1.00 14.25 C ATOM 143 CG2 VAL A 9 -2.054 -3.432 0.634 1.00 31.11 C ATOM 0 H VAL A 9 -1.209 -5.803 0.556 1.00 23.01 H new ATOM 0 HA VAL A 9 -0.362 -4.099 -1.503 1.00 14.31 H new ATOM 0 HB VAL A 9 -0.126 -3.673 1.505 1.00 42.23 H new ATOM 0 HG11 VAL A 9 -0.402 -1.295 0.930 1.00 14.25 H new ATOM 0 HG12 VAL A 9 1.044 -1.995 0.165 1.00 14.25 H new ATOM 0 HG13 VAL A 9 -0.427 -1.719 -0.798 1.00 14.25 H new ATOM 0 HG21 VAL A 9 -2.384 -2.705 1.376 1.00 31.11 H new ATOM 0 HG22 VAL A 9 -2.488 -3.185 -0.335 1.00 31.11 H new ATOM 0 HG23 VAL A 9 -2.378 -4.429 0.933 1.00 31.11 H new ATOM 153 N SER A 10 2.009 -5.028 0.626 1.00 33.30 N ATOM 154 CA SER A 10 3.452 -5.146 0.795 1.00 32.23 C ATOM 155 C SER A 10 4.087 -5.833 -0.410 1.00 12.05 C ATOM 156 O SER A 10 5.201 -5.500 -0.813 1.00 50.31 O ATOM 157 CB SER A 10 3.775 -5.927 2.071 1.00 23.04 C ATOM 158 OG SER A 10 3.667 -7.323 1.855 1.00 45.45 O ATOM 0 H SER A 10 1.462 -5.392 1.406 1.00 33.30 H new ATOM 0 HA SER A 10 3.866 -4.141 0.877 1.00 32.23 H new ATOM 0 HB2 SER A 10 4.784 -5.684 2.404 1.00 23.04 H new ATOM 0 HB3 SER A 10 3.095 -5.625 2.868 1.00 23.04 H new ATOM 0 HG SER A 10 3.879 -7.800 2.684 1.00 45.45 H new ATOM 164 N ASP A 11 3.368 -6.793 -0.981 1.00 31.42 N ATOM 165 CA ASP A 11 3.858 -7.527 -2.141 1.00 70.52 C ATOM 166 C ASP A 11 4.041 -6.598 -3.336 1.00 2.24 C ATOM 167 O ASP A 11 5.046 -6.670 -4.044 1.00 74.40 O ATOM 168 CB ASP A 11 2.892 -8.657 -2.502 1.00 73.42 C ATOM 169 CG ASP A 11 3.275 -9.975 -1.858 1.00 34.01 C ATOM 170 OD1 ASP A 11 4.488 -10.225 -1.692 1.00 13.35 O ATOM 171 OD2 ASP A 11 2.363 -10.756 -1.517 1.00 35.25 O ATOM 0 H ASP A 11 2.444 -7.081 -0.659 1.00 31.42 H new ATOM 0 HA ASP A 11 4.827 -7.955 -1.885 1.00 70.52 H new ATOM 0 HB2 ASP A 11 1.884 -8.383 -2.190 1.00 73.42 H new ATOM 0 HB3 ASP A 11 2.868 -8.779 -3.585 1.00 73.42 H new ATOM 176 N ILE A 12 3.064 -5.724 -3.555 1.00 15.42 N ATOM 177 CA ILE A 12 3.117 -4.779 -4.664 1.00 52.05 C ATOM 178 C ILE A 12 4.133 -3.676 -4.396 1.00 25.15 C ATOM 179 O ILE A 12 4.950 -3.346 -5.257 1.00 2.52 O ATOM 180 CB ILE A 12 1.740 -4.142 -4.927 1.00 62.44 C ATOM 181 CG1 ILE A 12 0.706 -5.223 -5.248 1.00 25.41 C ATOM 182 CG2 ILE A 12 1.832 -3.135 -6.064 1.00 72.34 C ATOM 183 CD1 ILE A 12 -0.634 -4.994 -4.584 1.00 3.23 C ATOM 0 H ILE A 12 2.226 -5.651 -2.979 1.00 15.42 H new ATOM 0 HA ILE A 12 3.421 -5.343 -5.546 1.00 52.05 H new ATOM 0 HB ILE A 12 1.421 -3.617 -4.027 1.00 62.44 H new ATOM 0 HG12 ILE A 12 0.564 -5.269 -6.328 1.00 25.41 H new ATOM 0 HG13 ILE A 12 1.096 -6.192 -4.936 1.00 25.41 H new ATOM 0 HG21 ILE A 12 0.851 -2.693 -6.239 1.00 72.34 H new ATOM 0 HG22 ILE A 12 2.542 -2.351 -5.799 1.00 72.34 H new ATOM 0 HG23 ILE A 12 2.169 -3.639 -6.970 1.00 72.34 H new ATOM 0 HD11 ILE A 12 -1.317 -5.799 -4.856 1.00 3.23 H new ATOM 0 HD12 ILE A 12 -0.506 -4.977 -3.502 1.00 3.23 H new ATOM 0 HD13 ILE A 12 -1.046 -4.041 -4.915 1.00 3.23 H new ATOM 195 N VAL A 13 4.080 -3.107 -3.195 1.00 45.53 N ATOM 196 CA VAL A 13 4.998 -2.041 -2.813 1.00 33.02 C ATOM 197 C VAL A 13 6.449 -2.471 -3.001 1.00 12.31 C ATOM 198 O VAL A 13 7.197 -1.855 -3.761 1.00 54.43 O ATOM 199 CB VAL A 13 4.787 -1.618 -1.347 1.00 11.44 C ATOM 200 CG1 VAL A 13 5.768 -0.522 -0.960 1.00 11.12 C ATOM 201 CG2 VAL A 13 3.352 -1.163 -1.126 1.00 42.34 C ATOM 0 H VAL A 13 3.411 -3.367 -2.470 1.00 45.53 H new ATOM 0 HA VAL A 13 4.786 -1.193 -3.464 1.00 33.02 H new ATOM 0 HB VAL A 13 4.974 -2.481 -0.708 1.00 11.44 H new ATOM 0 HG11 VAL A 13 5.603 -0.237 0.079 1.00 11.12 H new ATOM 0 HG12 VAL A 13 6.788 -0.888 -1.078 1.00 11.12 H new ATOM 0 HG13 VAL A 13 5.617 0.345 -1.603 1.00 11.12 H new ATOM 0 HG21 VAL A 13 3.220 -0.868 -0.085 1.00 42.34 H new ATOM 0 HG22 VAL A 13 3.136 -0.314 -1.774 1.00 42.34 H new ATOM 0 HG23 VAL A 13 2.671 -1.981 -1.360 1.00 42.34 H new ATOM 211 N LYS A 14 6.841 -3.533 -2.306 1.00 14.23 N ATOM 212 CA LYS A 14 8.201 -4.048 -2.397 1.00 23.44 C ATOM 213 C LYS A 14 8.561 -4.382 -3.841 1.00 73.03 C ATOM 214 O LYS A 14 9.717 -4.263 -4.245 1.00 0.32 O ATOM 215 CB LYS A 14 8.358 -5.292 -1.519 1.00 63.24 C ATOM 216 CG LYS A 14 7.669 -6.524 -2.083 1.00 20.54 C ATOM 217 CD LYS A 14 7.346 -7.530 -0.990 1.00 64.40 C ATOM 218 CE LYS A 14 8.609 -8.150 -0.412 1.00 5.35 C ATOM 219 NZ LYS A 14 8.986 -9.405 -1.120 1.00 11.23 N ATOM 0 H LYS A 14 6.235 -4.054 -1.673 1.00 14.23 H new ATOM 0 HA LYS A 14 8.880 -3.273 -2.042 1.00 23.44 H new ATOM 0 HB2 LYS A 14 9.419 -5.505 -1.392 1.00 63.24 H new ATOM 0 HB3 LYS A 14 7.954 -5.081 -0.529 1.00 63.24 H new ATOM 0 HG2 LYS A 14 6.751 -6.229 -2.590 1.00 20.54 H new ATOM 0 HG3 LYS A 14 8.310 -6.991 -2.831 1.00 20.54 H new ATOM 0 HD2 LYS A 14 6.785 -7.038 -0.196 1.00 64.40 H new ATOM 0 HD3 LYS A 14 6.706 -8.315 -1.394 1.00 64.40 H new ATOM 0 HE2 LYS A 14 9.429 -7.435 -0.480 1.00 5.35 H new ATOM 0 HE3 LYS A 14 8.458 -8.362 0.647 1.00 5.35 H new ATOM 0 HZ1 LYS A 14 10.008 -9.400 -1.314 1.00 11.23 H new ATOM 0 HZ2 LYS A 14 8.751 -10.224 -0.524 1.00 11.23 H new ATOM 0 HZ3 LYS A 14 8.463 -9.468 -2.017 1.00 11.23 H new ATOM 233 N GLU A 15 7.562 -4.800 -4.612 1.00 62.53 N ATOM 234 CA GLU A 15 7.775 -5.152 -6.013 1.00 34.45 C ATOM 235 C GLU A 15 8.040 -3.906 -6.852 1.00 12.14 C ATOM 236 O GLU A 15 8.793 -3.947 -7.824 1.00 25.05 O ATOM 237 CB GLU A 15 6.561 -5.902 -6.563 1.00 74.03 C ATOM 238 CG GLU A 15 6.737 -6.377 -7.996 1.00 11.35 C ATOM 239 CD GLU A 15 7.773 -7.476 -8.123 1.00 75.44 C ATOM 240 OE1 GLU A 15 8.228 -7.987 -7.078 1.00 24.40 O ATOM 241 OE2 GLU A 15 8.127 -7.827 -9.268 1.00 24.30 O ATOM 0 H GLU A 15 6.599 -4.903 -4.292 1.00 62.53 H new ATOM 0 HA GLU A 15 8.650 -5.800 -6.070 1.00 34.45 H new ATOM 0 HB2 GLU A 15 6.357 -6.763 -5.926 1.00 74.03 H new ATOM 0 HB3 GLU A 15 5.688 -5.252 -6.509 1.00 74.03 H new ATOM 0 HG2 GLU A 15 5.781 -6.738 -8.375 1.00 11.35 H new ATOM 0 HG3 GLU A 15 7.029 -5.533 -8.621 1.00 11.35 H new ATOM 248 N LYS A 16 7.415 -2.797 -6.468 1.00 51.15 N ATOM 249 CA LYS A 16 7.582 -1.538 -7.183 1.00 35.15 C ATOM 250 C LYS A 16 8.859 -0.827 -6.743 1.00 53.25 C ATOM 251 O LYS A 16 9.417 -0.018 -7.484 1.00 0.42 O ATOM 252 CB LYS A 16 6.373 -0.629 -6.946 1.00 64.34 C ATOM 253 CG LYS A 16 5.072 -1.194 -7.489 1.00 23.31 C ATOM 254 CD LYS A 16 4.949 -0.971 -8.987 1.00 52.23 C ATOM 255 CE LYS A 16 4.545 0.460 -9.306 1.00 35.11 C ATOM 256 NZ LYS A 16 5.728 1.326 -9.568 1.00 43.11 N ATOM 0 H LYS A 16 6.788 -2.746 -5.665 1.00 51.15 H new ATOM 0 HA LYS A 16 7.659 -1.761 -8.247 1.00 35.15 H new ATOM 0 HB2 LYS A 16 6.265 -0.454 -5.876 1.00 64.34 H new ATOM 0 HB3 LYS A 16 6.561 0.339 -7.410 1.00 64.34 H new ATOM 0 HG2 LYS A 16 5.020 -2.261 -7.274 1.00 23.31 H new ATOM 0 HG3 LYS A 16 4.230 -0.725 -6.980 1.00 23.31 H new ATOM 0 HD2 LYS A 16 5.900 -1.198 -9.469 1.00 52.23 H new ATOM 0 HD3 LYS A 16 4.211 -1.659 -9.399 1.00 52.23 H new ATOM 0 HE2 LYS A 16 3.890 0.467 -10.177 1.00 35.11 H new ATOM 0 HE3 LYS A 16 3.972 0.870 -8.474 1.00 35.11 H new ATOM 0 HZ1 LYS A 16 5.728 2.124 -8.902 1.00 43.11 H new ATOM 0 HZ2 LYS A 16 6.599 0.771 -9.444 1.00 43.11 H new ATOM 0 HZ3 LYS A 16 5.684 1.688 -10.542 1.00 43.11 H new ATOM 270 N LEU A 17 9.317 -1.138 -5.536 1.00 12.15 N ATOM 271 CA LEU A 17 10.530 -0.530 -4.998 1.00 42.32 C ATOM 272 C LEU A 17 11.739 -1.430 -5.233 1.00 55.53 C ATOM 273 O LEU A 17 12.881 -1.008 -5.059 1.00 65.41 O ATOM 274 CB LEU A 17 10.366 -0.256 -3.502 1.00 45.30 C ATOM 275 CG LEU A 17 9.195 0.644 -3.109 1.00 3.32 C ATOM 276 CD1 LEU A 17 9.216 0.926 -1.615 1.00 14.52 C ATOM 277 CD2 LEU A 17 9.233 1.945 -3.899 1.00 53.51 C ATOM 0 H LEU A 17 8.868 -1.807 -4.911 1.00 12.15 H new ATOM 0 HA LEU A 17 10.696 0.414 -5.517 1.00 42.32 H new ATOM 0 HB2 LEU A 17 10.253 -1.211 -2.989 1.00 45.30 H new ATOM 0 HB3 LEU A 17 11.286 0.197 -3.133 1.00 45.30 H new ATOM 0 HG LEU A 17 8.267 0.124 -3.347 1.00 3.32 H new ATOM 0 HD11 LEU A 17 8.375 1.568 -1.354 1.00 14.52 H new ATOM 0 HD12 LEU A 17 9.140 -0.013 -1.066 1.00 14.52 H new ATOM 0 HD13 LEU A 17 10.149 1.425 -1.352 1.00 14.52 H new ATOM 0 HD21 LEU A 17 8.392 2.573 -3.606 1.00 53.51 H new ATOM 0 HD22 LEU A 17 10.166 2.469 -3.693 1.00 53.51 H new ATOM 0 HD23 LEU A 17 9.168 1.726 -4.965 1.00 53.51 H new ATOM 289 N ALA A 18 11.479 -2.671 -5.630 1.00 15.54 N ATOM 290 CA ALA A 18 12.546 -3.629 -5.893 1.00 50.20 C ATOM 291 C ALA A 18 11.982 -4.954 -6.394 1.00 72.24 C ATOM 292 O ALA A 18 10.775 -5.092 -6.594 1.00 44.11 O ATOM 293 CB ALA A 18 13.380 -3.847 -4.639 1.00 53.34 C ATOM 0 H ALA A 18 10.538 -3.037 -5.777 1.00 15.54 H new ATOM 0 HA ALA A 18 13.186 -3.219 -6.674 1.00 50.20 H new ATOM 0 HB1 ALA A 18 14.173 -4.565 -4.850 1.00 53.34 H new ATOM 0 HB2 ALA A 18 13.821 -2.900 -4.326 1.00 53.34 H new ATOM 0 HB3 ALA A 18 12.744 -4.232 -3.842 1.00 53.34 H new ATOM 299 N LEU A 19 12.864 -5.928 -6.595 1.00 52.11 N ATOM 300 CA LEU A 19 12.454 -7.244 -7.073 1.00 24.34 C ATOM 301 C LEU A 19 11.697 -8.005 -5.990 1.00 53.42 C ATOM 302 O LEU A 19 10.931 -8.924 -6.283 1.00 10.13 O ATOM 303 CB LEU A 19 13.676 -8.049 -7.519 1.00 70.50 C ATOM 304 CG LEU A 19 14.467 -7.474 -8.695 1.00 34.42 C ATOM 305 CD1 LEU A 19 15.726 -8.289 -8.940 1.00 61.21 C ATOM 306 CD2 LEU A 19 13.604 -7.432 -9.947 1.00 4.43 C ATOM 0 H LEU A 19 13.867 -5.831 -6.434 1.00 52.11 H new ATOM 0 HA LEU A 19 11.788 -7.103 -7.925 1.00 24.34 H new ATOM 0 HB2 LEU A 19 14.350 -8.149 -6.668 1.00 70.50 H new ATOM 0 HB3 LEU A 19 13.347 -9.053 -7.785 1.00 70.50 H new ATOM 0 HG LEU A 19 14.762 -6.454 -8.447 1.00 34.42 H new ATOM 0 HD11 LEU A 19 16.276 -7.865 -9.780 1.00 61.21 H new ATOM 0 HD12 LEU A 19 16.353 -8.268 -8.048 1.00 61.21 H new ATOM 0 HD13 LEU A 19 15.454 -9.320 -9.167 1.00 61.21 H new ATOM 0 HD21 LEU A 19 14.182 -7.020 -10.774 1.00 4.43 H new ATOM 0 HD22 LEU A 19 13.279 -8.441 -10.199 1.00 4.43 H new ATOM 0 HD23 LEU A 19 12.731 -6.804 -9.767 1.00 4.43 H new ATOM 318 N GLY A 20 11.913 -7.615 -4.738 1.00 71.02 N ATOM 319 CA GLY A 20 11.242 -8.270 -3.630 1.00 41.25 C ATOM 320 C GLY A 20 12.157 -9.212 -2.872 1.00 61.12 C ATOM 321 O GLY A 20 11.875 -9.577 -1.731 1.00 11.21 O ATOM 0 H GLY A 20 12.541 -6.857 -4.471 1.00 71.02 H new ATOM 0 HA2 GLY A 20 10.856 -7.515 -2.946 1.00 41.25 H new ATOM 0 HA3 GLY A 20 10.384 -8.827 -4.007 1.00 41.25 H new ATOM 325 N ALA A 21 13.255 -9.607 -3.508 1.00 53.30 N ATOM 326 CA ALA A 21 14.214 -10.511 -2.886 1.00 2.13 C ATOM 327 C ALA A 21 15.363 -9.738 -2.248 1.00 23.32 C ATOM 328 O ALA A 21 16.004 -10.219 -1.314 1.00 24.35 O ATOM 329 CB ALA A 21 14.747 -11.501 -3.911 1.00 24.21 C ATOM 0 H ALA A 21 13.502 -9.315 -4.454 1.00 53.30 H new ATOM 0 HA ALA A 21 13.699 -11.061 -2.098 1.00 2.13 H new ATOM 0 HB1 ALA A 21 15.462 -12.170 -3.433 1.00 24.21 H new ATOM 0 HB2 ALA A 21 13.921 -12.084 -4.318 1.00 24.21 H new ATOM 0 HB3 ALA A 21 15.240 -10.959 -4.718 1.00 24.21 H new ATOM 335 N ASP A 22 15.618 -8.538 -2.758 1.00 10.31 N ATOM 336 CA ASP A 22 16.690 -7.697 -2.237 1.00 53.53 C ATOM 337 C ASP A 22 16.125 -6.547 -1.410 1.00 4.45 C ATOM 338 O ASP A 22 16.835 -5.594 -1.086 1.00 54.25 O ATOM 339 CB ASP A 22 17.540 -7.149 -3.384 1.00 30.52 C ATOM 340 CG ASP A 22 18.846 -6.550 -2.902 1.00 21.45 C ATOM 341 OD1 ASP A 22 19.557 -7.223 -2.125 1.00 3.50 O ATOM 342 OD2 ASP A 22 19.158 -5.409 -3.300 1.00 21.22 O ATOM 0 H ASP A 22 15.097 -8.126 -3.532 1.00 10.31 H new ATOM 0 HA ASP A 22 17.318 -8.310 -1.591 1.00 53.53 H new ATOM 0 HB2 ASP A 22 17.751 -7.951 -4.091 1.00 30.52 H new ATOM 0 HB3 ASP A 22 16.972 -6.390 -3.922 1.00 30.52 H new ATOM 347 N VAL A 23 14.842 -6.640 -1.074 1.00 3.34 N ATOM 348 CA VAL A 23 14.182 -5.606 -0.286 1.00 32.23 C ATOM 349 C VAL A 23 13.409 -6.213 0.879 1.00 51.15 C ATOM 350 O VAL A 23 12.955 -7.355 0.810 1.00 42.34 O ATOM 351 CB VAL A 23 13.215 -4.772 -1.149 1.00 61.42 C ATOM 352 CG1 VAL A 23 12.040 -5.622 -1.606 1.00 45.21 C ATOM 353 CG2 VAL A 23 12.735 -3.551 -0.382 1.00 23.15 C ATOM 0 H VAL A 23 14.239 -7.420 -1.335 1.00 3.34 H new ATOM 0 HA VAL A 23 14.966 -4.955 0.100 1.00 32.23 H new ATOM 0 HB VAL A 23 13.749 -4.428 -2.035 1.00 61.42 H new ATOM 0 HG11 VAL A 23 11.368 -5.017 -2.214 1.00 45.21 H new ATOM 0 HG12 VAL A 23 12.406 -6.462 -2.197 1.00 45.21 H new ATOM 0 HG13 VAL A 23 11.502 -5.998 -0.735 1.00 45.21 H new ATOM 0 HG21 VAL A 23 12.053 -2.974 -1.007 1.00 23.15 H new ATOM 0 HG22 VAL A 23 12.217 -3.870 0.522 1.00 23.15 H new ATOM 0 HG23 VAL A 23 13.590 -2.932 -0.111 1.00 23.15 H new ATOM 363 N VAL A 24 13.262 -5.442 1.952 1.00 41.40 N ATOM 364 CA VAL A 24 12.542 -5.903 3.133 1.00 64.12 C ATOM 365 C VAL A 24 11.441 -4.924 3.522 1.00 35.12 C ATOM 366 O VAL A 24 11.711 -3.850 4.058 1.00 3.44 O ATOM 367 CB VAL A 24 13.493 -6.093 4.330 1.00 14.45 C ATOM 368 CG1 VAL A 24 12.720 -6.555 5.556 1.00 35.23 C ATOM 369 CG2 VAL A 24 14.598 -7.078 3.982 1.00 35.11 C ATOM 0 H VAL A 24 13.632 -4.495 2.027 1.00 41.40 H new ATOM 0 HA VAL A 24 12.095 -6.864 2.877 1.00 64.12 H new ATOM 0 HB VAL A 24 13.955 -5.133 4.562 1.00 14.45 H new ATOM 0 HG11 VAL A 24 13.407 -6.684 6.392 1.00 35.23 H new ATOM 0 HG12 VAL A 24 11.969 -5.809 5.815 1.00 35.23 H new ATOM 0 HG13 VAL A 24 12.229 -7.504 5.340 1.00 35.23 H new ATOM 0 HG21 VAL A 24 15.260 -7.200 4.839 1.00 35.11 H new ATOM 0 HG22 VAL A 24 14.159 -8.041 3.723 1.00 35.11 H new ATOM 0 HG23 VAL A 24 15.169 -6.700 3.134 1.00 35.11 H new ATOM 379 N VAL A 25 10.196 -5.303 3.250 1.00 44.21 N ATOM 380 CA VAL A 25 9.051 -4.460 3.573 1.00 21.12 C ATOM 381 C VAL A 25 8.175 -5.107 4.639 1.00 62.22 C ATOM 382 O VAL A 25 8.019 -6.329 4.674 1.00 44.11 O ATOM 383 CB VAL A 25 8.196 -4.172 2.325 1.00 60.34 C ATOM 384 CG1 VAL A 25 7.004 -3.298 2.683 1.00 32.04 C ATOM 385 CG2 VAL A 25 9.039 -3.521 1.240 1.00 5.52 C ATOM 0 H VAL A 25 9.955 -6.189 2.806 1.00 44.21 H new ATOM 0 HA VAL A 25 9.448 -3.520 3.956 1.00 21.12 H new ATOM 0 HB VAL A 25 7.818 -5.119 1.939 1.00 60.34 H new ATOM 0 HG11 VAL A 25 6.412 -3.106 1.788 1.00 32.04 H new ATOM 0 HG12 VAL A 25 6.388 -3.809 3.423 1.00 32.04 H new ATOM 0 HG13 VAL A 25 7.357 -2.352 3.095 1.00 32.04 H new ATOM 0 HG21 VAL A 25 8.418 -3.325 0.366 1.00 5.52 H new ATOM 0 HG22 VAL A 25 9.449 -2.582 1.612 1.00 5.52 H new ATOM 0 HG23 VAL A 25 9.855 -4.189 0.963 1.00 5.52 H new ATOM 395 N THR A 26 7.603 -4.281 5.508 1.00 15.02 N ATOM 396 CA THR A 26 6.741 -4.773 6.576 1.00 31.35 C ATOM 397 C THR A 26 5.631 -3.776 6.891 1.00 22.33 C ATOM 398 O THR A 26 5.586 -2.684 6.324 1.00 32.31 O ATOM 399 CB THR A 26 7.543 -5.052 7.861 1.00 71.53 C ATOM 400 OG1 THR A 26 8.648 -4.147 7.956 1.00 3.14 O ATOM 401 CG2 THR A 26 8.054 -6.485 7.880 1.00 71.21 C ATOM 0 H THR A 26 7.721 -3.268 5.494 1.00 15.02 H new ATOM 0 HA THR A 26 6.299 -5.704 6.221 1.00 31.35 H new ATOM 0 HB THR A 26 6.880 -4.907 8.714 1.00 71.53 H new ATOM 0 HG1 THR A 26 9.151 -4.330 8.777 1.00 3.14 H new ATOM 0 HG21 THR A 26 8.617 -6.658 8.797 1.00 71.21 H new ATOM 0 HG22 THR A 26 7.210 -7.173 7.837 1.00 71.21 H new ATOM 0 HG23 THR A 26 8.702 -6.652 7.019 1.00 71.21 H new ATOM 409 N ALA A 27 4.738 -4.159 7.798 1.00 24.24 N ATOM 410 CA ALA A 27 3.631 -3.296 8.190 1.00 50.10 C ATOM 411 C ALA A 27 4.129 -2.071 8.948 1.00 25.44 C ATOM 412 O ALA A 27 3.473 -1.029 8.963 1.00 61.11 O ATOM 413 CB ALA A 27 2.632 -4.072 9.036 1.00 52.03 C ATOM 0 H ALA A 27 4.760 -5.061 8.275 1.00 24.24 H new ATOM 0 HA ALA A 27 3.134 -2.951 7.283 1.00 50.10 H new ATOM 0 HB1 ALA A 27 1.810 -3.416 9.322 1.00 52.03 H new ATOM 0 HB2 ALA A 27 2.242 -4.912 8.460 1.00 52.03 H new ATOM 0 HB3 ALA A 27 3.127 -4.445 9.932 1.00 52.03 H new ATOM 419 N ASP A 28 5.292 -2.203 9.575 1.00 23.44 N ATOM 420 CA ASP A 28 5.880 -1.105 10.336 1.00 2.14 C ATOM 421 C ASP A 28 6.787 -0.256 9.451 1.00 25.14 C ATOM 422 O ASP A 28 7.083 0.896 9.772 1.00 73.11 O ATOM 423 CB ASP A 28 6.672 -1.647 11.527 1.00 55.50 C ATOM 424 CG ASP A 28 6.785 -0.640 12.654 1.00 53.23 C ATOM 425 OD1 ASP A 28 6.137 0.424 12.566 1.00 43.01 O ATOM 426 OD2 ASP A 28 7.521 -0.916 13.623 1.00 75.21 O ATOM 0 H ASP A 28 5.847 -3.059 9.572 1.00 23.44 H new ATOM 0 HA ASP A 28 5.069 -0.477 10.705 1.00 2.14 H new ATOM 0 HB2 ASP A 28 6.190 -2.551 11.899 1.00 55.50 H new ATOM 0 HB3 ASP A 28 7.671 -1.931 11.196 1.00 55.50 H new ATOM 431 N SER A 29 7.226 -0.831 8.336 1.00 54.14 N ATOM 432 CA SER A 29 8.103 -0.129 7.407 1.00 22.52 C ATOM 433 C SER A 29 7.378 1.044 6.755 1.00 12.44 C ATOM 434 O SER A 29 6.243 0.908 6.299 1.00 1.02 O ATOM 435 CB SER A 29 8.615 -1.088 6.331 1.00 33.41 C ATOM 436 OG SER A 29 7.633 -1.306 5.333 1.00 30.23 O ATOM 0 H SER A 29 6.988 -1.782 8.054 1.00 54.14 H new ATOM 0 HA SER A 29 8.951 0.259 7.971 1.00 22.52 H new ATOM 0 HB2 SER A 29 9.517 -0.680 5.875 1.00 33.41 H new ATOM 0 HB3 SER A 29 8.891 -2.038 6.788 1.00 33.41 H new ATOM 0 HG SER A 29 6.784 -1.549 5.757 1.00 30.23 H new ATOM 442 N GLU A 30 8.041 2.195 6.716 1.00 51.34 N ATOM 443 CA GLU A 30 7.458 3.392 6.120 1.00 34.42 C ATOM 444 C GLU A 30 7.846 3.512 4.650 1.00 70.12 C ATOM 445 O GLU A 30 8.977 3.212 4.268 1.00 63.25 O ATOM 446 CB GLU A 30 7.912 4.640 6.882 1.00 60.35 C ATOM 447 CG GLU A 30 7.654 4.568 8.378 1.00 42.33 C ATOM 448 CD GLU A 30 8.418 5.622 9.154 1.00 43.12 C ATOM 449 OE1 GLU A 30 9.182 6.384 8.524 1.00 64.04 O ATOM 450 OE2 GLU A 30 8.254 5.686 10.389 1.00 33.40 O ATOM 0 H GLU A 30 8.981 2.324 7.090 1.00 51.34 H new ATOM 0 HA GLU A 30 6.373 3.308 6.186 1.00 34.42 H new ATOM 0 HB2 GLU A 30 8.978 4.791 6.713 1.00 60.35 H new ATOM 0 HB3 GLU A 30 7.398 5.511 6.475 1.00 60.35 H new ATOM 0 HG2 GLU A 30 6.587 4.687 8.565 1.00 42.33 H new ATOM 0 HG3 GLU A 30 7.933 3.580 8.744 1.00 42.33 H new ATOM 457 N PHE A 31 6.898 3.952 3.829 1.00 62.13 N ATOM 458 CA PHE A 31 7.138 4.109 2.399 1.00 2.05 C ATOM 459 C PHE A 31 8.379 4.962 2.147 1.00 54.21 C ATOM 460 O PHE A 31 9.140 4.710 1.213 1.00 54.14 O ATOM 461 CB PHE A 31 5.922 4.746 1.723 1.00 11.11 C ATOM 462 CG PHE A 31 4.721 3.846 1.678 1.00 71.45 C ATOM 463 CD1 PHE A 31 4.648 2.812 0.759 1.00 61.41 C ATOM 464 CD2 PHE A 31 3.665 4.033 2.556 1.00 43.40 C ATOM 465 CE1 PHE A 31 3.545 1.981 0.715 1.00 42.51 C ATOM 466 CE2 PHE A 31 2.560 3.205 2.517 1.00 54.30 C ATOM 467 CZ PHE A 31 2.498 2.178 1.594 1.00 30.32 C ATOM 0 H PHE A 31 5.957 4.206 4.129 1.00 62.13 H new ATOM 0 HA PHE A 31 7.305 3.120 1.973 1.00 2.05 H new ATOM 0 HB2 PHE A 31 5.660 5.662 2.253 1.00 11.11 H new ATOM 0 HB3 PHE A 31 6.190 5.032 0.706 1.00 11.11 H new ATOM 0 HD1 PHE A 31 5.463 2.653 0.069 1.00 61.41 H new ATOM 0 HD2 PHE A 31 3.707 4.835 3.278 1.00 43.40 H new ATOM 0 HE1 PHE A 31 3.502 1.178 -0.006 1.00 42.51 H new ATOM 0 HE2 PHE A 31 1.744 3.360 3.208 1.00 54.30 H new ATOM 0 HZ PHE A 31 1.633 1.532 1.560 1.00 30.32 H new ATOM 477 N SER A 32 8.575 5.973 2.987 1.00 42.41 N ATOM 478 CA SER A 32 9.720 6.866 2.854 1.00 5.34 C ATOM 479 C SER A 32 11.013 6.153 3.240 1.00 12.31 C ATOM 480 O SER A 32 12.075 6.421 2.679 1.00 2.42 O ATOM 481 CB SER A 32 9.529 8.108 3.726 1.00 12.14 C ATOM 482 OG SER A 32 10.775 8.709 4.038 1.00 54.44 O ATOM 0 H SER A 32 7.956 6.194 3.767 1.00 42.41 H new ATOM 0 HA SER A 32 9.792 7.172 1.810 1.00 5.34 H new ATOM 0 HB2 SER A 32 8.895 8.827 3.207 1.00 12.14 H new ATOM 0 HB3 SER A 32 9.013 7.834 4.646 1.00 12.14 H new ATOM 0 HG SER A 32 10.626 9.502 4.595 1.00 54.44 H new ATOM 488 N LYS A 33 10.915 5.244 4.203 1.00 14.23 N ATOM 489 CA LYS A 33 12.073 4.490 4.666 1.00 4.04 C ATOM 490 C LYS A 33 12.435 3.387 3.677 1.00 74.14 C ATOM 491 O LYS A 33 13.607 3.040 3.519 1.00 54.31 O ATOM 492 CB LYS A 33 11.797 3.884 6.044 1.00 11.41 C ATOM 493 CG LYS A 33 12.280 4.748 7.197 1.00 43.31 C ATOM 494 CD LYS A 33 12.715 3.903 8.382 1.00 72.32 C ATOM 495 CE LYS A 33 11.559 3.643 9.335 1.00 53.31 C ATOM 496 NZ LYS A 33 10.857 2.366 9.021 1.00 4.33 N ATOM 0 H LYS A 33 10.043 5.011 4.679 1.00 14.23 H new ATOM 0 HA LYS A 33 12.916 5.177 4.741 1.00 4.04 H new ATOM 0 HB2 LYS A 33 10.725 3.717 6.150 1.00 11.41 H new ATOM 0 HB3 LYS A 33 12.279 2.908 6.106 1.00 11.41 H new ATOM 0 HG2 LYS A 33 13.113 5.367 6.865 1.00 43.31 H new ATOM 0 HG3 LYS A 33 11.483 5.425 7.505 1.00 43.31 H new ATOM 0 HD2 LYS A 33 13.115 2.954 8.026 1.00 72.32 H new ATOM 0 HD3 LYS A 33 13.520 4.409 8.915 1.00 72.32 H new ATOM 0 HE2 LYS A 33 11.933 3.610 10.358 1.00 53.31 H new ATOM 0 HE3 LYS A 33 10.851 4.470 9.281 1.00 53.31 H new ATOM 0 HZ1 LYS A 33 9.919 2.366 9.470 1.00 4.33 H new ATOM 0 HZ2 LYS A 33 10.748 2.274 7.991 1.00 4.33 H new ATOM 0 HZ3 LYS A 33 11.414 1.566 9.383 1.00 4.33 H new ATOM 510 N LEU A 34 11.424 2.839 3.013 1.00 14.30 N ATOM 511 CA LEU A 34 11.634 1.775 2.038 1.00 25.43 C ATOM 512 C LEU A 34 12.378 2.300 0.813 1.00 12.41 C ATOM 513 O LEU A 34 12.989 1.533 0.069 1.00 14.11 O ATOM 514 CB LEU A 34 10.295 1.170 1.615 1.00 60.01 C ATOM 515 CG LEU A 34 9.549 0.377 2.688 1.00 43.21 C ATOM 516 CD1 LEU A 34 8.248 -0.182 2.131 1.00 31.23 C ATOM 517 CD2 LEU A 34 10.425 -0.744 3.229 1.00 43.35 C ATOM 0 H LEU A 34 10.449 3.114 3.132 1.00 14.30 H new ATOM 0 HA LEU A 34 12.242 1.001 2.507 1.00 25.43 H new ATOM 0 HB2 LEU A 34 9.647 1.976 1.271 1.00 60.01 H new ATOM 0 HB3 LEU A 34 10.468 0.514 0.762 1.00 60.01 H new ATOM 0 HG LEU A 34 9.309 1.052 3.510 1.00 43.21 H new ATOM 0 HD11 LEU A 34 7.731 -0.743 2.909 1.00 31.23 H new ATOM 0 HD12 LEU A 34 7.615 0.638 1.793 1.00 31.23 H new ATOM 0 HD13 LEU A 34 8.466 -0.842 1.291 1.00 31.23 H new ATOM 0 HD21 LEU A 34 9.878 -1.298 3.992 1.00 43.35 H new ATOM 0 HD22 LEU A 34 10.697 -1.418 2.416 1.00 43.35 H new ATOM 0 HD23 LEU A 34 11.329 -0.320 3.667 1.00 43.35 H new ATOM 529 N GLY A 35 12.323 3.613 0.610 1.00 75.42 N ATOM 530 CA GLY A 35 12.997 4.217 -0.523 1.00 43.41 C ATOM 531 C GLY A 35 12.034 4.615 -1.625 1.00 40.15 C ATOM 532 O GLY A 35 12.438 4.811 -2.771 1.00 23.31 O ATOM 0 H GLY A 35 11.823 4.269 1.211 1.00 75.42 H new ATOM 0 HA2 GLY A 35 13.546 5.097 -0.189 1.00 43.41 H new ATOM 0 HA3 GLY A 35 13.731 3.516 -0.921 1.00 43.41 H new ATOM 536 N ALA A 36 10.757 4.732 -1.279 1.00 74.14 N ATOM 537 CA ALA A 36 9.734 5.108 -2.247 1.00 31.44 C ATOM 538 C ALA A 36 9.593 6.625 -2.333 1.00 51.32 C ATOM 539 O ALA A 36 9.174 7.274 -1.375 1.00 42.33 O ATOM 540 CB ALA A 36 8.401 4.472 -1.881 1.00 12.03 C ATOM 0 H ALA A 36 10.406 4.572 -0.335 1.00 74.14 H new ATOM 0 HA ALA A 36 10.042 4.741 -3.226 1.00 31.44 H new ATOM 0 HB1 ALA A 36 7.647 4.762 -2.613 1.00 12.03 H new ATOM 0 HB2 ALA A 36 8.505 3.387 -1.877 1.00 12.03 H new ATOM 0 HB3 ALA A 36 8.096 4.811 -0.891 1.00 12.03 H new ATOM 546 N ASP A 37 9.946 7.181 -3.487 1.00 12.35 N ATOM 547 CA ASP A 37 9.857 8.621 -3.700 1.00 32.31 C ATOM 548 C ASP A 37 8.431 9.033 -4.048 1.00 52.24 C ATOM 549 O ASP A 37 7.520 8.205 -4.059 1.00 73.15 O ATOM 550 CB ASP A 37 10.812 9.054 -4.813 1.00 34.42 C ATOM 551 CG ASP A 37 12.258 8.721 -4.497 1.00 40.45 C ATOM 552 OD1 ASP A 37 12.560 8.454 -3.316 1.00 73.53 O ATOM 553 OD2 ASP A 37 13.087 8.729 -5.432 1.00 51.30 O ATOM 0 H ASP A 37 10.296 6.657 -4.289 1.00 12.35 H new ATOM 0 HA ASP A 37 10.143 9.118 -2.773 1.00 32.31 H new ATOM 0 HB2 ASP A 37 10.525 8.566 -5.744 1.00 34.42 H new ATOM 0 HB3 ASP A 37 10.716 10.128 -4.973 1.00 34.42 H new ATOM 558 N SER A 38 8.243 10.318 -4.331 1.00 25.23 N ATOM 559 CA SER A 38 6.926 10.841 -4.676 1.00 33.25 C ATOM 560 C SER A 38 6.402 10.193 -5.954 1.00 14.22 C ATOM 561 O SER A 38 5.197 9.986 -6.109 1.00 3.41 O ATOM 562 CB SER A 38 6.987 12.360 -4.848 1.00 12.41 C ATOM 563 OG SER A 38 6.334 13.021 -3.776 1.00 45.33 O ATOM 0 H SER A 38 8.986 11.016 -4.328 1.00 25.23 H new ATOM 0 HA SER A 38 6.242 10.602 -3.862 1.00 33.25 H new ATOM 0 HB2 SER A 38 8.027 12.682 -4.899 1.00 12.41 H new ATOM 0 HB3 SER A 38 6.520 12.641 -5.792 1.00 12.41 H new ATOM 0 HG SER A 38 6.388 13.991 -3.908 1.00 45.33 H new ATOM 569 N LEU A 39 7.313 9.876 -6.866 1.00 62.43 N ATOM 570 CA LEU A 39 6.945 9.252 -8.132 1.00 74.13 C ATOM 571 C LEU A 39 6.583 7.783 -7.929 1.00 3.31 C ATOM 572 O LEU A 39 5.815 7.211 -8.703 1.00 72.41 O ATOM 573 CB LEU A 39 8.092 9.372 -9.136 1.00 62.43 C ATOM 574 CG LEU A 39 8.645 10.780 -9.357 1.00 22.24 C ATOM 575 CD1 LEU A 39 10.003 10.719 -10.040 1.00 21.33 C ATOM 576 CD2 LEU A 39 7.672 11.614 -10.176 1.00 13.41 C ATOM 0 H LEU A 39 8.313 10.041 -6.753 1.00 62.43 H new ATOM 0 HA LEU A 39 6.072 9.772 -8.525 1.00 74.13 H new ATOM 0 HB2 LEU A 39 8.908 8.731 -8.803 1.00 62.43 H new ATOM 0 HB3 LEU A 39 7.751 8.982 -10.095 1.00 62.43 H new ATOM 0 HG LEU A 39 8.771 11.256 -8.385 1.00 22.24 H new ATOM 0 HD11 LEU A 39 10.381 11.730 -10.189 1.00 21.33 H new ATOM 0 HD12 LEU A 39 10.700 10.160 -9.415 1.00 21.33 H new ATOM 0 HD13 LEU A 39 9.903 10.223 -11.005 1.00 21.33 H new ATOM 0 HD21 LEU A 39 8.083 12.613 -10.323 1.00 13.41 H new ATOM 0 HD22 LEU A 39 7.513 11.141 -11.145 1.00 13.41 H new ATOM 0 HD23 LEU A 39 6.721 11.687 -9.648 1.00 13.41 H new ATOM 588 N ASP A 40 7.139 7.181 -6.884 1.00 50.21 N ATOM 589 CA ASP A 40 6.872 5.780 -6.578 1.00 20.41 C ATOM 590 C ASP A 40 5.553 5.630 -5.826 1.00 60.44 C ATOM 591 O ASP A 40 4.686 4.851 -6.222 1.00 41.14 O ATOM 592 CB ASP A 40 8.016 5.191 -5.749 1.00 42.35 C ATOM 593 CG ASP A 40 9.027 4.452 -6.603 1.00 24.32 C ATOM 594 OD1 ASP A 40 8.675 3.390 -7.155 1.00 61.33 O ATOM 595 OD2 ASP A 40 10.173 4.937 -6.717 1.00 43.42 O ATOM 0 H ASP A 40 7.777 7.641 -6.234 1.00 50.21 H new ATOM 0 HA ASP A 40 6.797 5.235 -7.519 1.00 20.41 H new ATOM 0 HB2 ASP A 40 8.519 5.992 -5.207 1.00 42.35 H new ATOM 0 HB3 ASP A 40 7.607 4.509 -5.003 1.00 42.35 H new ATOM 600 N THR A 41 5.409 6.379 -4.738 1.00 30.43 N ATOM 601 CA THR A 41 4.197 6.328 -3.930 1.00 72.00 C ATOM 602 C THR A 41 2.950 6.433 -4.801 1.00 70.42 C ATOM 603 O THR A 41 2.043 5.606 -4.705 1.00 31.23 O ATOM 604 CB THR A 41 4.173 7.457 -2.881 1.00 71.44 C ATOM 605 OG1 THR A 41 5.314 7.352 -2.022 1.00 42.21 O ATOM 606 CG2 THR A 41 2.899 7.396 -2.051 1.00 21.45 C ATOM 0 H THR A 41 6.117 7.029 -4.396 1.00 30.43 H new ATOM 0 HA THR A 41 4.199 5.366 -3.418 1.00 72.00 H new ATOM 0 HB THR A 41 4.201 8.412 -3.406 1.00 71.44 H new ATOM 0 HG1 THR A 41 6.118 7.623 -2.512 1.00 42.21 H new ATOM 0 HG21 THR A 41 2.904 8.202 -1.317 1.00 21.45 H new ATOM 0 HG22 THR A 41 2.033 7.505 -2.704 1.00 21.45 H new ATOM 0 HG23 THR A 41 2.846 6.437 -1.536 1.00 21.45 H new ATOM 614 N VAL A 42 2.912 7.453 -5.652 1.00 71.23 N ATOM 615 CA VAL A 42 1.777 7.664 -6.542 1.00 22.40 C ATOM 616 C VAL A 42 1.453 6.399 -7.328 1.00 5.11 C ATOM 617 O VAL A 42 0.290 6.111 -7.607 1.00 4.31 O ATOM 618 CB VAL A 42 2.044 8.816 -7.529 1.00 41.22 C ATOM 619 CG1 VAL A 42 3.295 8.537 -8.348 1.00 22.55 C ATOM 620 CG2 VAL A 42 0.841 9.031 -8.435 1.00 71.34 C ATOM 0 H VAL A 42 3.654 8.146 -5.744 1.00 71.23 H new ATOM 0 HA VAL A 42 0.926 7.925 -5.913 1.00 22.40 H new ATOM 0 HB VAL A 42 2.208 9.730 -6.958 1.00 41.22 H new ATOM 0 HG11 VAL A 42 3.468 9.361 -9.040 1.00 22.55 H new ATOM 0 HG12 VAL A 42 4.151 8.437 -7.681 1.00 22.55 H new ATOM 0 HG13 VAL A 42 3.163 7.613 -8.911 1.00 22.55 H new ATOM 0 HG21 VAL A 42 1.047 9.849 -9.126 1.00 71.34 H new ATOM 0 HG22 VAL A 42 0.643 8.120 -9.000 1.00 71.34 H new ATOM 0 HG23 VAL A 42 -0.031 9.279 -7.830 1.00 71.34 H new ATOM 630 N GLU A 43 2.490 5.648 -7.684 1.00 20.44 N ATOM 631 CA GLU A 43 2.316 4.414 -8.440 1.00 75.13 C ATOM 632 C GLU A 43 1.766 3.303 -7.549 1.00 21.14 C ATOM 633 O GLU A 43 1.050 2.416 -8.015 1.00 11.24 O ATOM 634 CB GLU A 43 3.645 3.975 -9.058 1.00 10.32 C ATOM 635 CG GLU A 43 3.758 4.287 -10.541 1.00 61.53 C ATOM 636 CD GLU A 43 5.191 4.256 -11.036 1.00 62.20 C ATOM 637 OE1 GLU A 43 6.105 4.099 -10.200 1.00 55.13 O ATOM 638 OE2 GLU A 43 5.398 4.389 -12.261 1.00 35.15 O ATOM 0 H GLU A 43 3.460 5.873 -7.461 1.00 20.44 H new ATOM 0 HA GLU A 43 1.599 4.606 -9.238 1.00 75.13 H new ATOM 0 HB2 GLU A 43 4.462 4.465 -8.529 1.00 10.32 H new ATOM 0 HB3 GLU A 43 3.768 2.902 -8.910 1.00 10.32 H new ATOM 0 HG2 GLU A 43 3.167 3.567 -11.106 1.00 61.53 H new ATOM 0 HG3 GLU A 43 3.332 5.271 -10.735 1.00 61.53 H new ATOM 645 N ILE A 44 2.107 3.359 -6.266 1.00 30.41 N ATOM 646 CA ILE A 44 1.648 2.359 -5.310 1.00 34.42 C ATOM 647 C ILE A 44 0.127 2.347 -5.215 1.00 54.40 C ATOM 648 O ILE A 44 -0.491 1.287 -5.103 1.00 25.24 O ATOM 649 CB ILE A 44 2.237 2.608 -3.909 1.00 20.25 C ATOM 650 CG1 ILE A 44 3.760 2.731 -3.986 1.00 13.12 C ATOM 651 CG2 ILE A 44 1.838 1.488 -2.959 1.00 63.31 C ATOM 652 CD1 ILE A 44 4.413 1.646 -4.812 1.00 71.22 C ATOM 0 H ILE A 44 2.699 4.086 -5.865 1.00 30.41 H new ATOM 0 HA ILE A 44 1.994 1.392 -5.674 1.00 34.42 H new ATOM 0 HB ILE A 44 1.835 3.545 -3.524 1.00 20.25 H new ATOM 0 HG12 ILE A 44 4.017 3.702 -4.409 1.00 13.12 H new ATOM 0 HG13 ILE A 44 4.170 2.704 -2.976 1.00 13.12 H new ATOM 0 HG21 ILE A 44 2.262 1.679 -1.973 1.00 63.31 H new ATOM 0 HG22 ILE A 44 0.751 1.444 -2.884 1.00 63.31 H new ATOM 0 HG23 ILE A 44 2.214 0.538 -3.338 1.00 63.31 H new ATOM 0 HD11 ILE A 44 5.492 1.797 -4.822 1.00 71.22 H new ATOM 0 HD12 ILE A 44 4.187 0.672 -4.378 1.00 71.22 H new ATOM 0 HD13 ILE A 44 4.031 1.686 -5.832 1.00 71.22 H new ATOM 664 N VAL A 45 -0.473 3.532 -5.261 1.00 1.31 N ATOM 665 CA VAL A 45 -1.923 3.659 -5.184 1.00 11.51 C ATOM 666 C VAL A 45 -2.587 3.182 -6.472 1.00 32.41 C ATOM 667 O VAL A 45 -3.686 2.630 -6.448 1.00 75.44 O ATOM 668 CB VAL A 45 -2.346 5.115 -4.911 1.00 53.42 C ATOM 669 CG1 VAL A 45 -3.844 5.197 -4.653 1.00 64.55 C ATOM 670 CG2 VAL A 45 -1.563 5.685 -3.738 1.00 1.12 C ATOM 0 H VAL A 45 0.023 4.418 -5.351 1.00 1.31 H new ATOM 0 HA VAL A 45 -2.251 3.031 -4.355 1.00 11.51 H new ATOM 0 HB VAL A 45 -2.121 5.713 -5.794 1.00 53.42 H new ATOM 0 HG11 VAL A 45 -4.124 6.233 -4.462 1.00 64.55 H new ATOM 0 HG12 VAL A 45 -4.384 4.830 -5.526 1.00 64.55 H new ATOM 0 HG13 VAL A 45 -4.098 4.587 -3.786 1.00 64.55 H new ATOM 0 HG21 VAL A 45 -1.874 6.714 -3.559 1.00 1.12 H new ATOM 0 HG22 VAL A 45 -1.756 5.087 -2.847 1.00 1.12 H new ATOM 0 HG23 VAL A 45 -0.497 5.663 -3.967 1.00 1.12 H new ATOM 680 N MET A 46 -1.910 3.399 -7.595 1.00 20.03 N ATOM 681 CA MET A 46 -2.433 2.990 -8.893 1.00 75.12 C ATOM 682 C MET A 46 -2.518 1.470 -8.989 1.00 4.33 C ATOM 683 O MET A 46 -3.556 0.919 -9.351 1.00 4.11 O ATOM 684 CB MET A 46 -1.551 3.536 -10.018 1.00 31.51 C ATOM 685 CG MET A 46 -2.302 3.774 -11.317 1.00 54.10 C ATOM 686 SD MET A 46 -1.261 4.503 -12.597 1.00 50.13 S ATOM 687 CE MET A 46 -0.696 5.987 -11.769 1.00 63.04 C ATOM 0 H MET A 46 -0.999 3.855 -7.632 1.00 20.03 H new ATOM 0 HA MET A 46 -3.437 3.400 -8.998 1.00 75.12 H new ATOM 0 HB2 MET A 46 -1.099 4.473 -9.692 1.00 31.51 H new ATOM 0 HB3 MET A 46 -0.736 2.836 -10.202 1.00 31.51 H new ATOM 0 HG2 MET A 46 -2.706 2.828 -11.677 1.00 54.10 H new ATOM 0 HG3 MET A 46 -3.151 4.431 -11.127 1.00 54.10 H new ATOM 0 HE1 MET A 46 -0.569 6.785 -12.500 1.00 63.04 H new ATOM 0 HE2 MET A 46 -1.432 6.291 -11.024 1.00 63.04 H new ATOM 0 HE3 MET A 46 0.257 5.789 -11.278 1.00 63.04 H new ATOM 697 N ASN A 47 -1.418 0.798 -8.665 1.00 31.24 N ATOM 698 CA ASN A 47 -1.369 -0.658 -8.715 1.00 44.33 C ATOM 699 C ASN A 47 -2.373 -1.271 -7.746 1.00 13.42 C ATOM 700 O ASN A 47 -3.118 -2.186 -8.101 1.00 71.34 O ATOM 701 CB ASN A 47 0.041 -1.153 -8.387 1.00 32.13 C ATOM 702 CG ASN A 47 0.924 -1.245 -9.617 1.00 14.52 C ATOM 703 OD1 ASN A 47 1.614 -2.243 -9.826 1.00 22.15 O ATOM 704 ND2 ASN A 47 0.904 -0.202 -10.438 1.00 31.12 N ATOM 0 H ASN A 47 -0.549 1.239 -8.365 1.00 31.24 H new ATOM 0 HA ASN A 47 -1.631 -0.970 -9.726 1.00 44.33 H new ATOM 0 HB2 ASN A 47 0.500 -0.479 -7.663 1.00 32.13 H new ATOM 0 HB3 ASN A 47 -0.022 -2.133 -7.915 1.00 32.13 H new ATOM 0 HD21 ASN A 47 1.476 -0.207 -11.282 1.00 31.12 H new ATOM 0 HD22 ASN A 47 0.316 0.604 -10.224 1.00 31.12 H new ATOM 711 N LEU A 48 -2.392 -0.761 -6.519 1.00 42.32 N ATOM 712 CA LEU A 48 -3.306 -1.256 -5.498 1.00 73.22 C ATOM 713 C LEU A 48 -4.758 -1.056 -5.921 1.00 65.30 C ATOM 714 O LEU A 48 -5.571 -1.976 -5.841 1.00 72.12 O ATOM 715 CB LEU A 48 -3.049 -0.547 -4.166 1.00 44.34 C ATOM 716 CG LEU A 48 -1.722 -0.871 -3.479 1.00 70.10 C ATOM 717 CD1 LEU A 48 -1.414 0.158 -2.403 1.00 60.34 C ATOM 718 CD2 LEU A 48 -1.757 -2.272 -2.885 1.00 54.44 C ATOM 0 H LEU A 48 -1.783 -0.004 -6.208 1.00 42.32 H new ATOM 0 HA LEU A 48 -3.127 -2.324 -5.375 1.00 73.22 H new ATOM 0 HB2 LEU A 48 -3.095 0.529 -4.335 1.00 44.34 H new ATOM 0 HB3 LEU A 48 -3.860 -0.797 -3.482 1.00 44.34 H new ATOM 0 HG LEU A 48 -0.929 -0.834 -4.226 1.00 70.10 H new ATOM 0 HD11 LEU A 48 -0.466 -0.088 -1.925 1.00 60.34 H new ATOM 0 HD12 LEU A 48 -1.346 1.148 -2.855 1.00 60.34 H new ATOM 0 HD13 LEU A 48 -2.209 0.153 -1.657 1.00 60.34 H new ATOM 0 HD21 LEU A 48 -0.804 -2.486 -2.400 1.00 54.44 H new ATOM 0 HD22 LEU A 48 -2.560 -2.336 -2.151 1.00 54.44 H new ATOM 0 HD23 LEU A 48 -1.931 -2.999 -3.678 1.00 54.44 H new ATOM 730 N GLU A 49 -5.074 0.153 -6.375 1.00 34.15 N ATOM 731 CA GLU A 49 -6.428 0.473 -6.813 1.00 4.30 C ATOM 732 C GLU A 49 -6.899 -0.506 -7.884 1.00 34.33 C ATOM 733 O GLU A 49 -8.057 -0.924 -7.891 1.00 4.22 O ATOM 734 CB GLU A 49 -6.488 1.903 -7.353 1.00 1.13 C ATOM 735 CG GLU A 49 -6.573 2.962 -6.266 1.00 22.51 C ATOM 736 CD GLU A 49 -6.091 4.321 -6.735 1.00 31.13 C ATOM 737 OE1 GLU A 49 -5.309 4.370 -7.707 1.00 24.03 O ATOM 738 OE2 GLU A 49 -6.497 5.335 -6.130 1.00 11.43 O ATOM 0 H GLU A 49 -4.412 0.926 -6.449 1.00 34.15 H new ATOM 0 HA GLU A 49 -7.090 0.389 -5.951 1.00 4.30 H new ATOM 0 HB2 GLU A 49 -5.603 2.090 -7.962 1.00 1.13 H new ATOM 0 HB3 GLU A 49 -7.353 1.998 -8.010 1.00 1.13 H new ATOM 0 HG2 GLU A 49 -7.605 3.045 -5.925 1.00 22.51 H new ATOM 0 HG3 GLU A 49 -5.978 2.646 -5.409 1.00 22.51 H new ATOM 745 N GLU A 50 -5.993 -0.868 -8.787 1.00 21.24 N ATOM 746 CA GLU A 50 -6.317 -1.797 -9.863 1.00 5.32 C ATOM 747 C GLU A 50 -6.407 -3.227 -9.338 1.00 5.30 C ATOM 748 O GLU A 50 -7.128 -4.057 -9.892 1.00 73.21 O ATOM 749 CB GLU A 50 -5.266 -1.714 -10.972 1.00 33.20 C ATOM 750 CG GLU A 50 -5.669 -2.433 -12.248 1.00 51.13 C ATOM 751 CD GLU A 50 -4.488 -2.723 -13.153 1.00 64.44 C ATOM 752 OE1 GLU A 50 -4.126 -1.838 -13.958 1.00 13.31 O ATOM 753 OE2 GLU A 50 -3.924 -3.833 -13.057 1.00 60.31 O ATOM 0 H GLU A 50 -5.030 -0.532 -8.795 1.00 21.24 H new ATOM 0 HA GLU A 50 -7.288 -1.516 -10.271 1.00 5.32 H new ATOM 0 HB2 GLU A 50 -5.074 -0.666 -11.201 1.00 33.20 H new ATOM 0 HB3 GLU A 50 -4.330 -2.137 -10.607 1.00 33.20 H new ATOM 0 HG2 GLU A 50 -6.164 -3.370 -11.992 1.00 51.13 H new ATOM 0 HG3 GLU A 50 -6.395 -1.826 -12.788 1.00 51.13 H new ATOM 760 N GLU A 51 -5.670 -3.506 -8.269 1.00 34.41 N ATOM 761 CA GLU A 51 -5.666 -4.836 -7.670 1.00 45.13 C ATOM 762 C GLU A 51 -6.965 -5.097 -6.913 1.00 3.41 C ATOM 763 O GLU A 51 -7.601 -6.137 -7.088 1.00 45.41 O ATOM 764 CB GLU A 51 -4.473 -4.990 -6.724 1.00 70.15 C ATOM 765 CG GLU A 51 -4.363 -6.373 -6.103 1.00 1.22 C ATOM 766 CD GLU A 51 -3.720 -7.382 -7.035 1.00 35.32 C ATOM 767 OE1 GLU A 51 -2.488 -7.312 -7.224 1.00 62.03 O ATOM 768 OE2 GLU A 51 -4.448 -8.241 -7.575 1.00 14.23 O ATOM 0 H GLU A 51 -5.068 -2.830 -7.799 1.00 34.41 H new ATOM 0 HA GLU A 51 -5.581 -5.567 -8.474 1.00 45.13 H new ATOM 0 HB2 GLU A 51 -3.556 -4.773 -7.271 1.00 70.15 H new ATOM 0 HB3 GLU A 51 -4.553 -4.249 -5.929 1.00 70.15 H new ATOM 0 HG2 GLU A 51 -3.780 -6.309 -5.184 1.00 1.22 H new ATOM 0 HG3 GLU A 51 -5.357 -6.723 -5.825 1.00 1.22 H new ATOM 775 N PHE A 52 -7.354 -4.145 -6.073 1.00 12.23 N ATOM 776 CA PHE A 52 -8.577 -4.271 -5.287 1.00 4.11 C ATOM 777 C PHE A 52 -9.749 -3.596 -5.995 1.00 33.14 C ATOM 778 O PHE A 52 -10.822 -3.426 -5.417 1.00 52.14 O ATOM 779 CB PHE A 52 -8.382 -3.657 -3.900 1.00 33.12 C ATOM 780 CG PHE A 52 -7.212 -4.228 -3.150 1.00 43.22 C ATOM 781 CD1 PHE A 52 -7.328 -5.427 -2.467 1.00 13.40 C ATOM 782 CD2 PHE A 52 -5.996 -3.565 -3.130 1.00 25.04 C ATOM 783 CE1 PHE A 52 -6.253 -5.954 -1.777 1.00 33.00 C ATOM 784 CE2 PHE A 52 -4.917 -4.087 -2.442 1.00 12.35 C ATOM 785 CZ PHE A 52 -5.046 -5.284 -1.764 1.00 65.12 C ATOM 0 H PHE A 52 -6.841 -3.277 -5.918 1.00 12.23 H new ATOM 0 HA PHE A 52 -8.803 -5.332 -5.178 1.00 4.11 H new ATOM 0 HB2 PHE A 52 -8.246 -2.580 -4.004 1.00 33.12 H new ATOM 0 HB3 PHE A 52 -9.288 -3.809 -3.314 1.00 33.12 H new ATOM 0 HD1 PHE A 52 -8.269 -5.956 -2.474 1.00 13.40 H new ATOM 0 HD2 PHE A 52 -5.890 -2.629 -3.658 1.00 25.04 H new ATOM 0 HE1 PHE A 52 -6.357 -6.890 -1.248 1.00 33.00 H new ATOM 0 HE2 PHE A 52 -3.974 -3.560 -2.434 1.00 12.35 H new ATOM 0 HZ PHE A 52 -4.205 -5.694 -1.225 1.00 65.12 H new ATOM 795 N GLY A 53 -9.534 -3.211 -7.249 1.00 74.31 N ATOM 796 CA GLY A 53 -10.580 -2.559 -8.014 1.00 44.30 C ATOM 797 C GLY A 53 -11.183 -1.376 -7.282 1.00 21.11 C ATOM 798 O GLY A 53 -12.347 -1.036 -7.492 1.00 53.35 O ATOM 0 H GLY A 53 -8.654 -3.339 -7.749 1.00 74.31 H new ATOM 0 HA2 GLY A 53 -10.173 -2.223 -8.968 1.00 44.30 H new ATOM 0 HA3 GLY A 53 -11.365 -3.281 -8.239 1.00 44.30 H new ATOM 802 N ILE A 54 -10.389 -0.749 -6.420 1.00 43.43 N ATOM 803 CA ILE A 54 -10.851 0.402 -5.655 1.00 54.53 C ATOM 804 C ILE A 54 -10.332 1.704 -6.252 1.00 23.42 C ATOM 805 O ILE A 54 -9.659 1.702 -7.282 1.00 71.43 O ATOM 806 CB ILE A 54 -10.409 0.313 -4.182 1.00 60.23 C ATOM 807 CG1 ILE A 54 -8.882 0.284 -4.087 1.00 34.04 C ATOM 808 CG2 ILE A 54 -11.009 -0.920 -3.522 1.00 43.41 C ATOM 809 CD1 ILE A 54 -8.362 0.470 -2.678 1.00 50.11 C ATOM 0 H ILE A 54 -9.423 -1.019 -6.234 1.00 43.43 H new ATOM 0 HA ILE A 54 -11.940 0.394 -5.700 1.00 54.53 H new ATOM 0 HB ILE A 54 -10.771 1.196 -3.655 1.00 60.23 H new ATOM 0 HG12 ILE A 54 -8.519 -0.667 -4.477 1.00 34.04 H new ATOM 0 HG13 ILE A 54 -8.471 1.067 -4.724 1.00 34.04 H new ATOM 0 HG21 ILE A 54 -10.687 -0.969 -2.482 1.00 43.41 H new ATOM 0 HG22 ILE A 54 -12.097 -0.862 -3.563 1.00 43.41 H new ATOM 0 HG23 ILE A 54 -10.673 -1.814 -4.048 1.00 43.41 H new ATOM 0 HD11 ILE A 54 -7.272 0.439 -2.685 1.00 50.11 H new ATOM 0 HD12 ILE A 54 -8.695 1.433 -2.292 1.00 50.11 H new ATOM 0 HD13 ILE A 54 -8.744 -0.328 -2.041 1.00 50.11 H new ATOM 821 N ASN A 55 -10.646 2.817 -5.596 1.00 1.31 N ATOM 822 CA ASN A 55 -10.210 4.128 -6.062 1.00 65.13 C ATOM 823 C ASN A 55 -10.050 5.096 -4.893 1.00 54.53 C ATOM 824 O ASN A 55 -10.926 5.197 -4.034 1.00 21.31 O ATOM 825 CB ASN A 55 -11.210 4.693 -7.073 1.00 54.32 C ATOM 826 CG ASN A 55 -12.491 5.170 -6.414 1.00 61.41 C ATOM 827 OD1 ASN A 55 -12.881 6.329 -6.557 1.00 72.34 O ATOM 828 ND2 ASN A 55 -13.151 4.275 -5.688 1.00 32.32 N ATOM 0 H ASN A 55 -11.201 2.837 -4.740 1.00 1.31 H new ATOM 0 HA ASN A 55 -9.241 4.009 -6.547 1.00 65.13 H new ATOM 0 HB2 ASN A 55 -10.750 5.522 -7.610 1.00 54.32 H new ATOM 0 HB3 ASN A 55 -11.448 3.928 -7.812 1.00 54.32 H new ATOM 0 HD21 ASN A 55 -14.019 4.537 -5.221 1.00 32.32 H new ATOM 0 HD22 ASN A 55 -12.790 3.325 -5.597 1.00 32.32 H new ATOM 835 N VAL A 56 -8.926 5.804 -4.868 1.00 12.33 N ATOM 836 CA VAL A 56 -8.652 6.765 -3.806 1.00 31.02 C ATOM 837 C VAL A 56 -7.779 7.908 -4.310 1.00 45.04 C ATOM 838 O VAL A 56 -6.935 7.718 -5.186 1.00 21.43 O ATOM 839 CB VAL A 56 -7.956 6.093 -2.607 1.00 74.20 C ATOM 840 CG1 VAL A 56 -6.616 5.507 -3.027 1.00 1.33 C ATOM 841 CG2 VAL A 56 -7.781 7.085 -1.468 1.00 20.23 C ATOM 0 H VAL A 56 -8.190 5.731 -5.571 1.00 12.33 H new ATOM 0 HA VAL A 56 -9.614 7.162 -3.483 1.00 31.02 H new ATOM 0 HB VAL A 56 -8.587 5.277 -2.253 1.00 74.20 H new ATOM 0 HG11 VAL A 56 -6.139 5.037 -2.167 1.00 1.33 H new ATOM 0 HG12 VAL A 56 -6.773 4.762 -3.807 1.00 1.33 H new ATOM 0 HG13 VAL A 56 -5.975 6.302 -3.408 1.00 1.33 H new ATOM 0 HG21 VAL A 56 -7.288 6.593 -0.630 1.00 20.23 H new ATOM 0 HG22 VAL A 56 -7.172 7.923 -1.806 1.00 20.23 H new ATOM 0 HG23 VAL A 56 -8.758 7.451 -1.151 1.00 20.23 H new ATOM 851 N ASP A 57 -7.988 9.095 -3.752 1.00 4.41 N ATOM 852 CA ASP A 57 -7.219 10.270 -4.144 1.00 5.54 C ATOM 853 C ASP A 57 -5.923 10.363 -3.346 1.00 31.24 C ATOM 854 O ASP A 57 -5.840 9.869 -2.221 1.00 3.44 O ATOM 855 CB ASP A 57 -8.048 11.540 -3.944 1.00 42.33 C ATOM 856 CG ASP A 57 -7.690 12.628 -4.937 1.00 32.33 C ATOM 857 OD1 ASP A 57 -7.271 12.290 -6.063 1.00 11.41 O ATOM 858 OD2 ASP A 57 -7.830 13.819 -4.586 1.00 43.41 O ATOM 0 H ASP A 57 -8.684 9.269 -3.027 1.00 4.41 H new ATOM 0 HA ASP A 57 -6.968 10.172 -5.200 1.00 5.54 H new ATOM 0 HB2 ASP A 57 -9.106 11.298 -4.040 1.00 42.33 H new ATOM 0 HB3 ASP A 57 -7.897 11.913 -2.931 1.00 42.33 H new ATOM 863 N GLU A 58 -4.914 10.999 -3.934 1.00 41.24 N ATOM 864 CA GLU A 58 -3.622 11.153 -3.277 1.00 14.24 C ATOM 865 C GLU A 58 -3.754 11.994 -2.010 1.00 71.21 C ATOM 866 O GLU A 58 -3.194 11.655 -0.967 1.00 21.32 O ATOM 867 CB GLU A 58 -2.615 11.802 -4.229 1.00 54.10 C ATOM 868 CG GLU A 58 -1.829 10.799 -5.058 1.00 43.53 C ATOM 869 CD GLU A 58 -0.624 10.250 -4.321 1.00 31.20 C ATOM 870 OE1 GLU A 58 -0.818 9.466 -3.369 1.00 30.01 O ATOM 871 OE2 GLU A 58 0.514 10.604 -4.695 1.00 1.40 O ATOM 0 H GLU A 58 -4.967 11.415 -4.864 1.00 41.24 H new ATOM 0 HA GLU A 58 -3.263 10.162 -3.000 1.00 14.24 H new ATOM 0 HB2 GLU A 58 -3.145 12.479 -4.899 1.00 54.10 H new ATOM 0 HB3 GLU A 58 -1.918 12.408 -3.650 1.00 54.10 H new ATOM 0 HG2 GLU A 58 -2.484 9.975 -5.341 1.00 43.53 H new ATOM 0 HG3 GLU A 58 -1.499 11.275 -5.981 1.00 43.53 H new ATOM 878 N ASP A 59 -4.496 13.090 -2.108 1.00 51.31 N ATOM 879 CA ASP A 59 -4.703 13.979 -0.971 1.00 1.03 C ATOM 880 C ASP A 59 -5.258 13.212 0.225 1.00 73.34 C ATOM 881 O ASP A 59 -5.029 13.583 1.376 1.00 30.51 O ATOM 882 CB ASP A 59 -5.654 15.115 -1.351 1.00 32.45 C ATOM 883 CG ASP A 59 -5.386 16.382 -0.561 1.00 41.30 C ATOM 884 OD1 ASP A 59 -4.252 16.899 -0.636 1.00 4.12 O ATOM 885 OD2 ASP A 59 -6.312 16.857 0.130 1.00 31.11 O ATOM 0 H ASP A 59 -4.965 13.385 -2.964 1.00 51.31 H new ATOM 0 HA ASP A 59 -3.738 14.402 -0.692 1.00 1.03 H new ATOM 0 HB2 ASP A 59 -5.556 15.326 -2.416 1.00 32.45 H new ATOM 0 HB3 ASP A 59 -6.683 14.796 -1.183 1.00 32.45 H new ATOM 890 N LYS A 60 -5.992 12.140 -0.056 1.00 51.11 N ATOM 891 CA LYS A 60 -6.580 11.319 0.995 1.00 55.20 C ATOM 892 C LYS A 60 -5.559 10.333 1.553 1.00 12.12 C ATOM 893 O LYS A 60 -5.666 9.895 2.698 1.00 51.01 O ATOM 894 CB LYS A 60 -7.797 10.561 0.458 1.00 70.40 C ATOM 895 CG LYS A 60 -9.096 11.339 0.568 1.00 53.02 C ATOM 896 CD LYS A 60 -9.360 12.165 -0.680 1.00 61.24 C ATOM 897 CE LYS A 60 -10.753 12.775 -0.661 1.00 33.41 C ATOM 898 NZ LYS A 60 -10.815 13.989 0.199 1.00 62.32 N ATOM 0 H LYS A 60 -6.193 11.820 -1.003 1.00 51.11 H new ATOM 0 HA LYS A 60 -6.898 11.980 1.802 1.00 55.20 H new ATOM 0 HB2 LYS A 60 -7.623 10.306 -0.588 1.00 70.40 H new ATOM 0 HB3 LYS A 60 -7.899 9.622 1.002 1.00 70.40 H new ATOM 0 HG2 LYS A 60 -9.923 10.647 0.729 1.00 53.02 H new ATOM 0 HG3 LYS A 60 -9.056 11.995 1.438 1.00 53.02 H new ATOM 0 HD2 LYS A 60 -8.616 12.958 -0.757 1.00 61.24 H new ATOM 0 HD3 LYS A 60 -9.249 11.537 -1.564 1.00 61.24 H new ATOM 0 HE2 LYS A 60 -11.050 13.034 -1.677 1.00 33.41 H new ATOM 0 HE3 LYS A 60 -11.468 12.036 -0.299 1.00 33.41 H new ATOM 0 HZ1 LYS A 60 -11.781 14.375 0.186 1.00 62.32 H new ATOM 0 HZ2 LYS A 60 -10.556 13.737 1.174 1.00 62.32 H new ATOM 0 HZ3 LYS A 60 -10.151 14.704 -0.161 1.00 62.32 H new ATOM 912 N ALA A 61 -4.569 9.990 0.737 1.00 65.41 N ATOM 913 CA ALA A 61 -3.525 9.059 1.149 1.00 14.04 C ATOM 914 C ALA A 61 -2.298 9.803 1.667 1.00 42.44 C ATOM 915 O ALA A 61 -1.175 9.312 1.561 1.00 23.24 O ATOM 916 CB ALA A 61 -3.144 8.147 -0.007 1.00 31.43 C ATOM 0 H ALA A 61 -4.467 10.343 -0.215 1.00 65.41 H new ATOM 0 HA ALA A 61 -3.917 8.449 1.963 1.00 14.04 H new ATOM 0 HB1 ALA A 61 -2.364 7.458 0.315 1.00 31.43 H new ATOM 0 HB2 ALA A 61 -4.019 7.581 -0.327 1.00 31.43 H new ATOM 0 HB3 ALA A 61 -2.776 8.748 -0.839 1.00 31.43 H new ATOM 922 N GLN A 62 -2.522 10.988 2.224 1.00 73.31 N ATOM 923 CA GLN A 62 -1.434 11.799 2.755 1.00 21.44 C ATOM 924 C GLN A 62 -0.975 11.274 4.112 1.00 60.44 C ATOM 925 O GLN A 62 0.218 11.067 4.337 1.00 52.22 O ATOM 926 CB GLN A 62 -1.872 13.260 2.883 1.00 75.25 C ATOM 927 CG GLN A 62 -2.132 13.935 1.547 1.00 42.42 C ATOM 928 CD GLN A 62 -0.858 14.193 0.766 1.00 51.43 C ATOM 929 OE1 GLN A 62 -0.035 15.021 1.155 1.00 60.54 O ATOM 930 NE2 GLN A 62 -0.690 13.483 -0.343 1.00 72.24 N ATOM 0 H GLN A 62 -3.447 11.408 2.319 1.00 73.31 H new ATOM 0 HA GLN A 62 -0.597 11.737 2.059 1.00 21.44 H new ATOM 0 HB2 GLN A 62 -2.778 13.308 3.487 1.00 75.25 H new ATOM 0 HB3 GLN A 62 -1.102 13.816 3.418 1.00 75.25 H new ATOM 0 HG2 GLN A 62 -2.798 13.310 0.952 1.00 42.42 H new ATOM 0 HG3 GLN A 62 -2.648 14.880 1.716 1.00 42.42 H new ATOM 0 HE21 GLN A 62 -1.399 12.807 -0.628 1.00 72.24 H new ATOM 0 HE22 GLN A 62 0.148 13.613 -0.910 1.00 72.24 H new ATOM 939 N ASP A 63 -1.929 11.060 5.011 1.00 60.32 N ATOM 940 CA ASP A 63 -1.622 10.557 6.346 1.00 42.40 C ATOM 941 C ASP A 63 -0.864 9.236 6.268 1.00 32.22 C ATOM 942 O ASP A 63 -0.129 8.876 7.188 1.00 5.41 O ATOM 943 CB ASP A 63 -2.909 10.375 7.153 1.00 63.21 C ATOM 944 CG ASP A 63 -3.686 11.667 7.303 1.00 14.24 C ATOM 945 OD1 ASP A 63 -4.301 12.109 6.310 1.00 41.21 O ATOM 946 OD2 ASP A 63 -3.680 12.238 8.414 1.00 65.41 O ATOM 0 H ASP A 63 -2.921 11.227 4.841 1.00 60.32 H new ATOM 0 HA ASP A 63 -0.988 11.289 6.847 1.00 42.40 H new ATOM 0 HB2 ASP A 63 -3.538 9.631 6.665 1.00 63.21 H new ATOM 0 HB3 ASP A 63 -2.663 9.986 8.141 1.00 63.21 H new ATOM 951 N ILE A 64 -1.049 8.518 5.165 1.00 73.22 N ATOM 952 CA ILE A 64 -0.383 7.236 4.968 1.00 30.32 C ATOM 953 C ILE A 64 1.120 7.358 5.196 1.00 43.13 C ATOM 954 O ILE A 64 1.760 8.288 4.704 1.00 71.15 O ATOM 955 CB ILE A 64 -0.633 6.682 3.553 1.00 3.33 C ATOM 956 CG1 ILE A 64 -2.136 6.557 3.290 1.00 31.12 C ATOM 957 CG2 ILE A 64 0.055 5.337 3.382 1.00 50.42 C ATOM 958 CD1 ILE A 64 -2.833 5.589 4.220 1.00 10.02 C ATOM 0 H ILE A 64 -1.654 8.802 4.395 1.00 73.22 H new ATOM 0 HA ILE A 64 -0.805 6.546 5.698 1.00 30.32 H new ATOM 0 HB ILE A 64 -0.213 7.377 2.826 1.00 3.33 H new ATOM 0 HG12 ILE A 64 -2.597 7.540 3.389 1.00 31.12 H new ATOM 0 HG13 ILE A 64 -2.291 6.235 2.260 1.00 31.12 H new ATOM 0 HG21 ILE A 64 -0.131 4.958 2.377 1.00 50.42 H new ATOM 0 HG22 ILE A 64 1.128 5.455 3.532 1.00 50.42 H new ATOM 0 HG23 ILE A 64 -0.338 4.632 4.114 1.00 50.42 H new ATOM 0 HD11 ILE A 64 -3.895 5.551 3.976 1.00 10.02 H new ATOM 0 HD12 ILE A 64 -2.398 4.596 4.104 1.00 10.02 H new ATOM 0 HD13 ILE A 64 -2.709 5.921 5.251 1.00 10.02 H new ATOM 970 N SER A 65 1.679 6.411 5.942 1.00 33.33 N ATOM 971 CA SER A 65 3.107 6.413 6.237 1.00 21.32 C ATOM 972 C SER A 65 3.703 5.022 6.043 1.00 20.02 C ATOM 973 O SER A 65 4.723 4.858 5.372 1.00 44.21 O ATOM 974 CB SER A 65 3.354 6.891 7.670 1.00 62.10 C ATOM 975 OG SER A 65 3.337 8.306 7.745 1.00 53.45 O ATOM 0 H SER A 65 1.165 5.632 6.353 1.00 33.33 H new ATOM 0 HA SER A 65 3.595 7.099 5.544 1.00 21.32 H new ATOM 0 HB2 SER A 65 2.591 6.479 8.331 1.00 62.10 H new ATOM 0 HB3 SER A 65 4.316 6.516 8.021 1.00 62.10 H new ATOM 0 HG SER A 65 3.495 8.586 8.671 1.00 53.45 H new ATOM 981 N THR A 66 3.060 4.021 6.637 1.00 23.32 N ATOM 982 CA THR A 66 3.526 2.644 6.532 1.00 25.33 C ATOM 983 C THR A 66 2.553 1.795 5.722 1.00 44.05 C ATOM 984 O THR A 66 1.446 2.233 5.408 1.00 54.23 O ATOM 985 CB THR A 66 3.713 2.007 7.921 1.00 72.33 C ATOM 986 OG1 THR A 66 2.437 1.790 8.537 1.00 44.00 O ATOM 987 CG2 THR A 66 4.567 2.894 8.814 1.00 61.51 C ATOM 0 H THR A 66 2.215 4.139 7.196 1.00 23.32 H new ATOM 0 HA THR A 66 4.489 2.674 6.022 1.00 25.33 H new ATOM 0 HB THR A 66 4.222 1.052 7.792 1.00 72.33 H new ATOM 0 HG1 THR A 66 2.377 0.862 8.848 1.00 44.00 H new ATOM 0 HG21 THR A 66 4.685 2.422 9.790 1.00 61.51 H new ATOM 0 HG22 THR A 66 5.547 3.034 8.358 1.00 61.51 H new ATOM 0 HG23 THR A 66 4.082 3.863 8.935 1.00 61.51 H new ATOM 995 N ILE A 67 2.973 0.580 5.387 1.00 61.02 N ATOM 996 CA ILE A 67 2.137 -0.331 4.615 1.00 4.33 C ATOM 997 C ILE A 67 0.757 -0.480 5.247 1.00 3.22 C ATOM 998 O ILE A 67 -0.262 -0.383 4.565 1.00 12.53 O ATOM 999 CB ILE A 67 2.785 -1.723 4.491 1.00 24.25 C ATOM 1000 CG1 ILE A 67 4.186 -1.605 3.884 1.00 15.54 C ATOM 1001 CG2 ILE A 67 1.913 -2.640 3.648 1.00 41.42 C ATOM 1002 CD1 ILE A 67 4.202 -0.939 2.526 1.00 50.33 C ATOM 0 H ILE A 67 3.887 0.204 5.638 1.00 61.02 H new ATOM 0 HA ILE A 67 2.034 0.103 3.620 1.00 4.33 H new ATOM 0 HB ILE A 67 2.876 -2.155 5.487 1.00 24.25 H new ATOM 0 HG12 ILE A 67 4.822 -1.039 4.565 1.00 15.54 H new ATOM 0 HG13 ILE A 67 4.620 -2.601 3.796 1.00 15.54 H new ATOM 0 HG21 ILE A 67 2.384 -3.620 3.570 1.00 41.42 H new ATOM 0 HG22 ILE A 67 0.935 -2.745 4.117 1.00 41.42 H new ATOM 0 HG23 ILE A 67 1.794 -2.214 2.652 1.00 41.42 H new ATOM 0 HD11 ILE A 67 5.226 -0.890 2.157 1.00 50.33 H new ATOM 0 HD12 ILE A 67 3.593 -1.517 1.830 1.00 50.33 H new ATOM 0 HD13 ILE A 67 3.798 0.070 2.611 1.00 50.33 H new ATOM 1014 N GLN A 68 0.734 -0.716 6.555 1.00 43.41 N ATOM 1015 CA GLN A 68 -0.521 -0.877 7.280 1.00 43.21 C ATOM 1016 C GLN A 68 -1.453 0.304 7.023 1.00 74.33 C ATOM 1017 O GLN A 68 -2.637 0.121 6.744 1.00 31.10 O ATOM 1018 CB GLN A 68 -0.254 -1.015 8.779 1.00 73.40 C ATOM 1019 CG GLN A 68 -0.159 -2.458 9.250 1.00 14.53 C ATOM 1020 CD GLN A 68 -1.502 -3.021 9.676 1.00 60.51 C ATOM 1021 OE1 GLN A 68 -1.769 -3.184 10.867 1.00 41.50 O ATOM 1022 NE2 GLN A 68 -2.353 -3.321 8.702 1.00 55.24 N ATOM 0 H GLN A 68 1.570 -0.800 7.134 1.00 43.41 H new ATOM 0 HA GLN A 68 -1.006 -1.784 6.920 1.00 43.21 H new ATOM 0 HB2 GLN A 68 0.675 -0.500 9.023 1.00 73.40 H new ATOM 0 HB3 GLN A 68 -1.050 -0.514 9.329 1.00 73.40 H new ATOM 0 HG2 GLN A 68 0.251 -3.072 8.448 1.00 14.53 H new ATOM 0 HG3 GLN A 68 0.538 -2.519 10.086 1.00 14.53 H new ATOM 0 HE21 GLN A 68 -2.088 -3.169 7.729 1.00 55.24 H new ATOM 0 HE22 GLN A 68 -3.271 -3.703 8.927 1.00 55.24 H new ATOM 1031 N GLN A 69 -0.909 1.512 7.121 1.00 24.11 N ATOM 1032 CA GLN A 69 -1.693 2.722 6.901 1.00 72.22 C ATOM 1033 C GLN A 69 -2.416 2.666 5.559 1.00 71.23 C ATOM 1034 O GLN A 69 -3.594 3.007 5.463 1.00 2.25 O ATOM 1035 CB GLN A 69 -0.791 3.957 6.956 1.00 54.14 C ATOM 1036 CG GLN A 69 -0.074 4.126 8.285 1.00 24.31 C ATOM 1037 CD GLN A 69 -0.995 3.941 9.474 1.00 33.11 C ATOM 1038 OE1 GLN A 69 -1.789 4.823 9.802 1.00 51.32 O ATOM 1039 NE2 GLN A 69 -0.894 2.790 10.129 1.00 4.42 N ATOM 0 H GLN A 69 0.071 1.679 7.351 1.00 24.11 H new ATOM 0 HA GLN A 69 -2.439 2.790 7.693 1.00 72.22 H new ATOM 0 HB2 GLN A 69 -0.051 3.892 6.159 1.00 54.14 H new ATOM 0 HB3 GLN A 69 -1.392 4.845 6.761 1.00 54.14 H new ATOM 0 HG2 GLN A 69 0.742 3.406 8.347 1.00 24.31 H new ATOM 0 HG3 GLN A 69 0.373 5.119 8.328 1.00 24.31 H new ATOM 0 HE21 GLN A 69 -0.222 2.086 9.823 1.00 4.42 H new ATOM 0 HE22 GLN A 69 -1.488 2.610 10.938 1.00 4.42 H new ATOM 1048 N ALA A 70 -1.702 2.231 4.526 1.00 62.34 N ATOM 1049 CA ALA A 70 -2.276 2.128 3.190 1.00 41.31 C ATOM 1050 C ALA A 70 -3.249 0.958 3.099 1.00 72.24 C ATOM 1051 O ALA A 70 -4.182 0.975 2.297 1.00 52.35 O ATOM 1052 CB ALA A 70 -1.174 1.982 2.151 1.00 12.24 C ATOM 0 H ALA A 70 -0.725 1.944 4.589 1.00 62.34 H new ATOM 0 HA ALA A 70 -2.831 3.045 2.989 1.00 41.31 H new ATOM 0 HB1 ALA A 70 -1.618 1.906 1.158 1.00 12.24 H new ATOM 0 HB2 ALA A 70 -0.519 2.853 2.190 1.00 12.24 H new ATOM 0 HB3 ALA A 70 -0.595 1.083 2.359 1.00 12.24 H new ATOM 1058 N ALA A 71 -3.024 -0.058 3.927 1.00 50.35 N ATOM 1059 CA ALA A 71 -3.883 -1.236 3.940 1.00 64.42 C ATOM 1060 C ALA A 71 -5.226 -0.930 4.593 1.00 63.43 C ATOM 1061 O ALA A 71 -6.258 -1.468 4.192 1.00 33.02 O ATOM 1062 CB ALA A 71 -3.191 -2.384 4.663 1.00 44.41 C ATOM 0 H ALA A 71 -2.255 -0.089 4.596 1.00 50.35 H new ATOM 0 HA ALA A 71 -4.071 -1.530 2.907 1.00 64.42 H new ATOM 0 HB1 ALA A 71 -3.843 -3.258 4.666 1.00 44.41 H new ATOM 0 HB2 ALA A 71 -2.260 -2.628 4.151 1.00 44.41 H new ATOM 0 HB3 ALA A 71 -2.975 -2.089 5.690 1.00 44.41 H new ATOM 1068 N ASP A 72 -5.205 -0.064 5.599 1.00 34.31 N ATOM 1069 CA ASP A 72 -6.422 0.315 6.308 1.00 13.11 C ATOM 1070 C ASP A 72 -7.367 1.085 5.391 1.00 31.33 C ATOM 1071 O ASP A 72 -8.580 0.878 5.417 1.00 11.15 O ATOM 1072 CB ASP A 72 -6.081 1.160 7.537 1.00 44.01 C ATOM 1073 CG ASP A 72 -5.425 0.347 8.635 1.00 65.24 C ATOM 1074 OD1 ASP A 72 -4.716 -0.628 8.308 1.00 30.30 O ATOM 1075 OD2 ASP A 72 -5.620 0.685 9.821 1.00 42.43 O ATOM 0 H ASP A 72 -4.358 0.389 5.943 1.00 34.31 H new ATOM 0 HA ASP A 72 -6.923 -0.597 6.633 1.00 13.11 H new ATOM 0 HB2 ASP A 72 -5.415 1.972 7.243 1.00 44.01 H new ATOM 0 HB3 ASP A 72 -6.991 1.618 7.923 1.00 44.01 H new ATOM 1080 N VAL A 73 -6.803 1.976 4.582 1.00 64.21 N ATOM 1081 CA VAL A 73 -7.594 2.778 3.658 1.00 5.31 C ATOM 1082 C VAL A 73 -8.208 1.910 2.563 1.00 14.05 C ATOM 1083 O VAL A 73 -9.353 2.120 2.161 1.00 23.20 O ATOM 1084 CB VAL A 73 -6.744 3.883 3.004 1.00 3.22 C ATOM 1085 CG1 VAL A 73 -7.588 4.711 2.046 1.00 55.10 C ATOM 1086 CG2 VAL A 73 -6.110 4.766 4.068 1.00 4.30 C ATOM 0 H VAL A 73 -5.800 2.160 4.548 1.00 64.21 H new ATOM 0 HA VAL A 73 -8.390 3.240 4.242 1.00 5.31 H new ATOM 0 HB VAL A 73 -5.945 3.412 2.431 1.00 3.22 H new ATOM 0 HG11 VAL A 73 -6.970 5.487 1.594 1.00 55.10 H new ATOM 0 HG12 VAL A 73 -7.990 4.066 1.265 1.00 55.10 H new ATOM 0 HG13 VAL A 73 -8.410 5.174 2.592 1.00 55.10 H new ATOM 0 HG21 VAL A 73 -5.513 5.542 3.589 1.00 4.30 H new ATOM 0 HG22 VAL A 73 -6.892 5.230 4.669 1.00 4.30 H new ATOM 0 HG23 VAL A 73 -5.470 4.160 4.710 1.00 4.30 H new ATOM 1096 N ILE A 74 -7.440 0.936 2.089 1.00 61.43 N ATOM 1097 CA ILE A 74 -7.909 0.035 1.043 1.00 65.22 C ATOM 1098 C ILE A 74 -8.958 -0.932 1.581 1.00 2.12 C ATOM 1099 O ILE A 74 -10.089 -0.968 1.096 1.00 63.45 O ATOM 1100 CB ILE A 74 -6.748 -0.771 0.433 1.00 60.32 C ATOM 1101 CG1 ILE A 74 -5.698 0.172 -0.159 1.00 70.03 C ATOM 1102 CG2 ILE A 74 -7.269 -1.727 -0.630 1.00 64.23 C ATOM 1103 CD1 ILE A 74 -4.333 -0.462 -0.309 1.00 33.35 C ATOM 0 H ILE A 74 -6.491 0.750 2.412 1.00 61.43 H new ATOM 0 HA ILE A 74 -8.356 0.657 0.267 1.00 65.22 H new ATOM 0 HB ILE A 74 -6.278 -1.357 1.223 1.00 60.32 H new ATOM 0 HG12 ILE A 74 -6.039 0.516 -1.135 1.00 70.03 H new ATOM 0 HG13 ILE A 74 -5.613 1.053 0.477 1.00 70.03 H new ATOM 0 HG21 ILE A 74 -6.437 -2.290 -1.052 1.00 64.23 H new ATOM 0 HG22 ILE A 74 -7.983 -2.417 -0.180 1.00 64.23 H new ATOM 0 HG23 ILE A 74 -7.761 -1.160 -1.420 1.00 64.23 H new ATOM 0 HD11 ILE A 74 -3.640 0.264 -0.734 1.00 33.35 H new ATOM 0 HD12 ILE A 74 -3.971 -0.781 0.668 1.00 33.35 H new ATOM 0 HD13 ILE A 74 -4.404 -1.326 -0.969 1.00 33.35 H new ATOM 1115 N GLU A 75 -8.576 -1.712 2.586 1.00 70.21 N ATOM 1116 CA GLU A 75 -9.485 -2.679 3.190 1.00 62.24 C ATOM 1117 C GLU A 75 -10.792 -2.010 3.607 1.00 32.31 C ATOM 1118 O GLU A 75 -11.849 -2.640 3.614 1.00 20.12 O ATOM 1119 CB GLU A 75 -8.829 -3.342 4.403 1.00 31.21 C ATOM 1120 CG GLU A 75 -8.743 -2.435 5.619 1.00 25.32 C ATOM 1121 CD GLU A 75 -9.999 -2.473 6.466 1.00 0.31 C ATOM 1122 OE1 GLU A 75 -10.500 -3.586 6.735 1.00 24.40 O ATOM 1123 OE2 GLU A 75 -10.484 -1.391 6.860 1.00 61.43 O ATOM 0 H GLU A 75 -7.644 -1.694 2.999 1.00 70.21 H new ATOM 0 HA GLU A 75 -9.709 -3.443 2.445 1.00 62.24 H new ATOM 0 HB2 GLU A 75 -9.393 -4.237 4.667 1.00 31.21 H new ATOM 0 HB3 GLU A 75 -7.825 -3.667 4.130 1.00 31.21 H new ATOM 0 HG2 GLU A 75 -7.889 -2.731 6.229 1.00 25.32 H new ATOM 0 HG3 GLU A 75 -8.561 -1.411 5.292 1.00 25.32 H new ATOM 1130 N GLY A 76 -10.710 -0.730 3.955 1.00 74.22 N ATOM 1131 CA GLY A 76 -11.891 0.004 4.370 1.00 54.55 C ATOM 1132 C GLY A 76 -12.937 0.085 3.276 1.00 42.15 C ATOM 1133 O GLY A 76 -14.137 0.100 3.552 1.00 32.41 O ATOM 0 H GLY A 76 -9.846 -0.188 3.957 1.00 74.22 H new ATOM 0 HA2 GLY A 76 -12.324 -0.476 5.248 1.00 54.55 H new ATOM 0 HA3 GLY A 76 -11.603 1.012 4.668 1.00 54.55 H new ATOM 1137 N LEU A 77 -12.483 0.139 2.029 1.00 62.32 N ATOM 1138 CA LEU A 77 -13.388 0.221 0.887 1.00 71.52 C ATOM 1139 C LEU A 77 -13.996 -1.143 0.576 1.00 2.23 C ATOM 1140 O LEU A 77 -15.167 -1.242 0.206 1.00 14.53 O ATOM 1141 CB LEU A 77 -12.645 0.753 -0.340 1.00 32.14 C ATOM 1142 CG LEU A 77 -11.736 1.960 -0.105 1.00 35.35 C ATOM 1143 CD1 LEU A 77 -11.153 2.454 -1.418 1.00 60.44 C ATOM 1144 CD2 LEU A 77 -12.501 3.075 0.595 1.00 51.31 C ATOM 0 H LEU A 77 -11.493 0.128 1.782 1.00 62.32 H new ATOM 0 HA LEU A 77 -14.195 0.908 1.142 1.00 71.52 H new ATOM 0 HB2 LEU A 77 -12.042 -0.055 -0.753 1.00 32.14 H new ATOM 0 HB3 LEU A 77 -13.381 1.020 -1.098 1.00 32.14 H new ATOM 0 HG LEU A 77 -10.913 1.651 0.539 1.00 35.35 H new ATOM 0 HD11 LEU A 77 -10.509 3.313 -1.230 1.00 60.44 H new ATOM 0 HD12 LEU A 77 -10.569 1.657 -1.880 1.00 60.44 H new ATOM 0 HD13 LEU A 77 -11.962 2.746 -2.088 1.00 60.44 H new ATOM 0 HD21 LEU A 77 -11.839 3.926 0.754 1.00 51.31 H new ATOM 0 HD22 LEU A 77 -13.344 3.382 -0.024 1.00 51.31 H new ATOM 0 HD23 LEU A 77 -12.868 2.716 1.556 1.00 51.31 H new ATOM 1156 N LEU A 78 -13.196 -2.191 0.730 1.00 21.23 N ATOM 1157 CA LEU A 78 -13.657 -3.550 0.467 1.00 61.43 C ATOM 1158 C LEU A 78 -14.959 -3.837 1.208 1.00 5.21 C ATOM 1159 O LEU A 78 -15.850 -4.499 0.680 1.00 52.41 O ATOM 1160 CB LEU A 78 -12.587 -4.561 0.884 1.00 54.23 C ATOM 1161 CG LEU A 78 -11.512 -4.871 -0.159 1.00 4.55 C ATOM 1162 CD1 LEU A 78 -12.061 -5.799 -1.231 1.00 55.23 C ATOM 1163 CD2 LEU A 78 -10.988 -3.585 -0.782 1.00 33.10 C ATOM 0 H LEU A 78 -12.225 -2.127 1.036 1.00 21.23 H new ATOM 0 HA LEU A 78 -13.841 -3.644 -0.603 1.00 61.43 H new ATOM 0 HB2 LEU A 78 -12.096 -4.189 1.783 1.00 54.23 H new ATOM 0 HB3 LEU A 78 -13.083 -5.494 1.154 1.00 54.23 H new ATOM 0 HG LEU A 78 -10.683 -5.374 0.339 1.00 4.55 H new ATOM 0 HD11 LEU A 78 -11.282 -6.009 -1.964 1.00 55.23 H new ATOM 0 HD12 LEU A 78 -12.388 -6.732 -0.772 1.00 55.23 H new ATOM 0 HD13 LEU A 78 -12.907 -5.323 -1.726 1.00 55.23 H new ATOM 0 HD21 LEU A 78 -10.224 -3.824 -1.522 1.00 33.10 H new ATOM 0 HD22 LEU A 78 -11.808 -3.055 -1.266 1.00 33.10 H new ATOM 0 HD23 LEU A 78 -10.556 -2.954 -0.005 1.00 33.10 H new