USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 69 SER OG : rot -52:sc= 0.74 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 MET CE :methyl 162:sc= -0.404 (180deg=-1.1) USER MOD Set 2.2: A 60 MET CE :methyl 145:sc= -1.82 (180deg=-2.65) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -0.24 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.779 K(o=-1,f=-4.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 61:sc= -0.295 USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 0.612 (180deg=0.114) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 0.328 (180deg=0.265) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= 0.474 (180deg=0.22) USER MOD Single : A 35 CYS SG : rot -170:sc= -1.73 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0968 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.801 (180deg=0.801) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 171:sc= -0.208 (180deg=-0.368) USER MOD Single : A 50 GLN : amide:sc= -0.0231 K(o=-0.023,f=-4.2!) USER MOD Single : A 51 ASN : amide:sc= -5.56! C(o=-5.6!,f=-9.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 58 GLN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.649 (180deg=-1.4) USER MOD Single : A 81 MET CE :methyl 159:sc= -2.18! (180deg=-2.68!) USER MOD Single : A 84 CYS SG : rot 87:sc= 0.197 USER MOD Single : A 85 MET CE :methyl -144:sc= -0.205 (180deg=-1.82!) USER MOD Single : A 86 LYS NZ :NH3+ -129:sc= 1.02 (180deg=-1.31) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SXK OAB : rot 180:sc= -0.0904 USER MOD Single : B 149 SER OG : rot -79:sc= 1 USER MOD Single : B 153 MET CE :methyl 142:sc= -1.87 (180deg=-6.23!) USER MOD Single : B 154 MET CE :methyl 175:sc= 0 (180deg=-0.0077) USER MOD Single : B 155 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.23) USER MOD Single : B 163 LYS NZ :NH3+ 177:sc= 0.172 (180deg=0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.297 7.039 0.995 1.00 0.00 N ATOM 2 CA MET A 1 71.883 7.989 1.994 1.00 0.00 C ATOM 3 C MET A 1 70.772 8.577 2.874 1.00 0.00 C ATOM 4 O MET A 1 69.736 8.982 2.384 1.00 0.00 O ATOM 5 CB MET A 1 72.549 9.091 1.161 1.00 0.00 C ATOM 6 CG MET A 1 74.012 8.726 0.896 1.00 0.00 C ATOM 7 SD MET A 1 75.071 9.579 2.092 1.00 0.00 S ATOM 8 CE MET A 1 75.295 11.106 1.146 1.00 0.00 C ATOM 0 H1 MET A 1 72.056 6.645 0.403 1.00 0.00 H new ATOM 0 H2 MET A 1 70.811 6.267 1.494 1.00 0.00 H new ATOM 0 H3 MET A 1 70.616 7.545 0.393 1.00 0.00 H new ATOM 0 HA MET A 1 72.595 7.500 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.019 9.217 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.492 10.043 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 74.149 7.648 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 74.291 9.008 -0.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.930 11.792 1.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 75.766 10.876 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.325 11.571 0.970 1.00 0.00 H new ATOM 20 N ASP A 2 70.978 8.616 4.168 1.00 0.00 N ATOM 21 CA ASP A 2 69.929 9.170 5.081 1.00 0.00 C ATOM 22 C ASP A 2 70.537 9.568 6.434 1.00 0.00 C ATOM 23 O ASP A 2 71.580 9.077 6.828 1.00 0.00 O ATOM 24 CB ASP A 2 68.924 8.024 5.256 1.00 0.00 C ATOM 25 CG ASP A 2 67.571 8.553 5.759 1.00 0.00 C ATOM 26 OD1 ASP A 2 67.437 9.755 5.944 1.00 0.00 O ATOM 27 OD2 ASP A 2 66.685 7.740 5.947 1.00 0.00 O ATOM 0 H ASP A 2 71.826 8.289 4.631 1.00 0.00 H new ATOM 0 HA ASP A 2 69.466 10.070 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.787 7.507 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.319 7.293 5.962 1.00 0.00 H new ATOM 32 N ASP A 3 69.885 10.455 7.147 1.00 0.00 N ATOM 33 CA ASP A 3 70.407 10.896 8.476 1.00 0.00 C ATOM 34 C ASP A 3 69.251 11.093 9.470 1.00 0.00 C ATOM 35 O ASP A 3 69.122 10.358 10.431 1.00 0.00 O ATOM 36 CB ASP A 3 71.124 12.222 8.191 1.00 0.00 C ATOM 37 CG ASP A 3 71.637 12.829 9.499 1.00 0.00 C ATOM 38 OD1 ASP A 3 72.680 12.398 9.961 1.00 0.00 O ATOM 39 OD2 ASP A 3 70.977 13.716 10.014 1.00 0.00 O ATOM 0 H ASP A 3 69.009 10.894 6.863 1.00 0.00 H new ATOM 0 HA ASP A 3 71.074 10.162 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 3 71.956 12.056 7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 3 70.442 12.916 7.701 1.00 0.00 H new ATOM 44 N ILE A 4 68.415 12.081 9.249 1.00 0.00 N ATOM 45 CA ILE A 4 67.273 12.331 10.188 1.00 0.00 C ATOM 46 C ILE A 4 66.274 11.160 10.170 1.00 0.00 C ATOM 47 O ILE A 4 65.792 10.741 11.206 1.00 0.00 O ATOM 48 CB ILE A 4 66.617 13.638 9.705 1.00 0.00 C ATOM 49 CG1 ILE A 4 65.540 14.068 10.707 1.00 0.00 C ATOM 50 CG2 ILE A 4 65.975 13.443 8.325 1.00 0.00 C ATOM 51 CD1 ILE A 4 66.101 15.149 11.631 1.00 0.00 C ATOM 0 H ILE A 4 68.474 12.725 8.460 1.00 0.00 H new ATOM 0 HA ILE A 4 67.613 12.416 11.220 1.00 0.00 H new ATOM 0 HB ILE A 4 67.386 14.407 9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 4 64.666 14.446 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 4 65.211 13.210 11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 4 65.517 14.378 8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 4 66.739 13.146 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 4 65.212 12.667 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 4 65.334 15.453 12.343 1.00 0.00 H new ATOM 0 HD12 ILE A 4 66.962 14.755 12.172 1.00 0.00 H new ATOM 0 HD13 ILE A 4 66.408 16.011 11.038 1.00 0.00 H new ATOM 63 N TYR A 5 65.965 10.622 9.014 1.00 0.00 N ATOM 64 CA TYR A 5 65.004 9.476 8.957 1.00 0.00 C ATOM 65 C TYR A 5 65.719 8.180 9.350 1.00 0.00 C ATOM 66 O TYR A 5 65.140 7.307 9.969 1.00 0.00 O ATOM 67 CB TYR A 5 64.517 9.415 7.507 1.00 0.00 C ATOM 68 CG TYR A 5 63.597 10.581 7.235 1.00 0.00 C ATOM 69 CD1 TYR A 5 62.509 10.828 8.081 1.00 0.00 C ATOM 70 CD2 TYR A 5 63.835 11.417 6.139 1.00 0.00 C ATOM 71 CE1 TYR A 5 61.662 11.910 7.832 1.00 0.00 C ATOM 72 CE2 TYR A 5 62.987 12.502 5.892 1.00 0.00 C ATOM 73 CZ TYR A 5 61.901 12.747 6.738 1.00 0.00 C ATOM 74 OH TYR A 5 61.070 13.819 6.500 1.00 0.00 O ATOM 0 H TYR A 5 66.334 10.925 8.113 1.00 0.00 H new ATOM 0 HA TYR A 5 64.169 9.603 9.646 1.00 0.00 H new ATOM 0 HB2 TYR A 5 65.367 9.442 6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 5 63.994 8.476 7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.325 10.182 8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 5 64.672 11.225 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 5 60.823 12.100 8.484 1.00 0.00 H new ATOM 0 HE2 TYR A 5 63.171 13.150 5.048 1.00 0.00 H new ATOM 0 HH TYR A 5 61.094 14.428 7.267 1.00 0.00 H new ATOM 84 N LYS A 6 66.980 8.059 9.009 1.00 0.00 N ATOM 85 CA LYS A 6 67.745 6.830 9.376 1.00 0.00 C ATOM 86 C LYS A 6 67.790 6.678 10.904 1.00 0.00 C ATOM 87 O LYS A 6 67.592 5.598 11.429 1.00 0.00 O ATOM 88 CB LYS A 6 69.152 7.045 8.813 1.00 0.00 C ATOM 89 CG LYS A 6 69.857 5.693 8.680 1.00 0.00 C ATOM 90 CD LYS A 6 71.340 5.913 8.368 1.00 0.00 C ATOM 91 CE LYS A 6 72.072 6.382 9.632 1.00 0.00 C ATOM 92 NZ LYS A 6 72.524 5.132 10.312 1.00 0.00 N ATOM 0 H LYS A 6 67.511 8.760 8.492 1.00 0.00 H new ATOM 0 HA LYS A 6 67.288 5.925 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.096 7.536 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.722 7.702 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.750 5.124 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.392 5.106 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.785 4.988 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.449 6.655 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.918 7.022 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.412 6.963 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.308 5.353 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.734 4.725 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.846 4.446 9.600 1.00 0.00 H new ATOM 106 N ALA A 7 68.035 7.756 11.620 1.00 0.00 N ATOM 107 CA ALA A 7 68.078 7.681 13.118 1.00 0.00 C ATOM 108 C ALA A 7 66.768 7.085 13.654 1.00 0.00 C ATOM 109 O ALA A 7 66.773 6.297 14.582 1.00 0.00 O ATOM 110 CB ALA A 7 68.250 9.129 13.593 1.00 0.00 C ATOM 0 H ALA A 7 68.207 8.683 11.230 1.00 0.00 H new ATOM 0 HA ALA A 7 68.887 7.044 13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.290 9.152 14.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.176 9.537 13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.407 9.728 13.248 1.00 0.00 H new ATOM 116 N ALA A 8 65.650 7.440 13.061 1.00 0.00 N ATOM 117 CA ALA A 8 64.340 6.877 13.518 1.00 0.00 C ATOM 118 C ALA A 8 64.349 5.350 13.352 1.00 0.00 C ATOM 119 O ALA A 8 63.859 4.626 14.197 1.00 0.00 O ATOM 120 CB ALA A 8 63.284 7.515 12.611 1.00 0.00 C ATOM 0 H ALA A 8 65.590 8.095 12.281 1.00 0.00 H new ATOM 0 HA ALA A 8 64.140 7.088 14.569 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.296 7.148 12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.313 8.599 12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.490 7.253 11.573 1.00 0.00 H new ATOM 126 N VAL A 9 64.926 4.860 12.278 1.00 0.00 N ATOM 127 CA VAL A 9 64.996 3.378 12.064 1.00 0.00 C ATOM 128 C VAL A 9 65.860 2.746 13.167 1.00 0.00 C ATOM 129 O VAL A 9 65.546 1.691 13.680 1.00 0.00 O ATOM 130 CB VAL A 9 65.640 3.187 10.683 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.716 1.694 10.353 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.794 3.891 9.617 1.00 0.00 C ATOM 0 H VAL A 9 65.351 5.423 11.541 1.00 0.00 H new ATOM 0 HA VAL A 9 64.016 2.903 12.105 1.00 0.00 H new ATOM 0 HB VAL A 9 66.643 3.613 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.173 1.561 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.318 1.185 11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.711 1.272 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.254 3.754 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.790 3.466 9.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.735 4.956 9.844 1.00 0.00 H new ATOM 142 N GLU A 10 66.933 3.402 13.549 1.00 0.00 N ATOM 143 CA GLU A 10 67.806 2.859 14.641 1.00 0.00 C ATOM 144 C GLU A 10 67.026 2.833 15.966 1.00 0.00 C ATOM 145 O GLU A 10 67.270 2.003 16.821 1.00 0.00 O ATOM 146 CB GLU A 10 68.991 3.827 14.733 1.00 0.00 C ATOM 147 CG GLU A 10 70.100 3.375 13.776 1.00 0.00 C ATOM 148 CD GLU A 10 70.809 4.600 13.194 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.366 5.083 12.165 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.785 5.031 13.782 1.00 0.00 O ATOM 0 H GLU A 10 67.241 4.289 13.152 1.00 0.00 H new ATOM 0 HA GLU A 10 68.136 1.840 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.669 4.837 14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 10 69.369 3.859 15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 10 70.816 2.745 14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.677 2.772 12.973 1.00 0.00 H new ATOM 157 N GLN A 11 66.083 3.732 16.133 1.00 0.00 N ATOM 158 CA GLN A 11 65.271 3.762 17.392 1.00 0.00 C ATOM 159 C GLN A 11 64.122 2.742 17.322 1.00 0.00 C ATOM 160 O GLN A 11 63.568 2.360 18.335 1.00 0.00 O ATOM 161 CB GLN A 11 64.714 5.186 17.475 1.00 0.00 C ATOM 162 CG GLN A 11 65.568 6.018 18.438 1.00 0.00 C ATOM 163 CD GLN A 11 64.717 6.460 19.630 1.00 0.00 C ATOM 164 OE1 GLN A 11 64.804 5.889 20.697 1.00 0.00 O ATOM 165 NE2 GLN A 11 63.891 7.460 19.496 1.00 0.00 N ATOM 0 H GLN A 11 65.841 4.448 15.449 1.00 0.00 H new ATOM 0 HA GLN A 11 65.869 3.503 18.266 1.00 0.00 H new ATOM 0 HB2 GLN A 11 64.712 5.645 16.486 1.00 0.00 H new ATOM 0 HB3 GLN A 11 63.680 5.163 17.818 1.00 0.00 H new ATOM 0 HG2 GLN A 11 66.419 5.432 18.784 1.00 0.00 H new ATOM 0 HG3 GLN A 11 65.970 6.890 17.922 1.00 0.00 H new ATOM 0 HE21 GLN A 11 63.815 7.942 18.600 1.00 0.00 H new ATOM 0 HE22 GLN A 11 63.321 7.760 20.287 1.00 0.00 H new ATOM 174 N LEU A 12 63.761 2.298 16.138 1.00 0.00 N ATOM 175 CA LEU A 12 62.651 1.302 16.011 1.00 0.00 C ATOM 176 C LEU A 12 63.033 -0.003 16.716 1.00 0.00 C ATOM 177 O LEU A 12 63.969 -0.677 16.325 1.00 0.00 O ATOM 178 CB LEU A 12 62.490 1.059 14.506 1.00 0.00 C ATOM 179 CG LEU A 12 61.604 2.145 13.894 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.727 2.107 12.370 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.147 1.893 14.288 1.00 0.00 C ATOM 0 H LEU A 12 64.188 2.583 15.257 1.00 0.00 H new ATOM 0 HA LEU A 12 61.728 1.662 16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.467 1.059 14.022 1.00 0.00 H new ATOM 0 HB3 LEU A 12 62.049 0.077 14.333 1.00 0.00 H new ATOM 0 HG LEU A 12 61.921 3.121 14.262 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.095 2.881 11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.764 2.282 12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.409 1.131 12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.514 2.666 13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.834 0.917 13.918 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.054 1.917 15.374 1.00 0.00 H new ATOM 193 N THR A 13 62.316 -0.369 17.747 1.00 0.00 N ATOM 194 CA THR A 13 62.643 -1.639 18.469 1.00 0.00 C ATOM 195 C THR A 13 62.193 -2.839 17.639 1.00 0.00 C ATOM 196 O THR A 13 61.467 -2.700 16.671 1.00 0.00 O ATOM 197 CB THR A 13 61.879 -1.583 19.801 1.00 0.00 C ATOM 198 OG1 THR A 13 60.482 -1.564 19.546 1.00 0.00 O ATOM 199 CG2 THR A 13 62.277 -0.325 20.579 1.00 0.00 C ATOM 0 H THR A 13 61.522 0.152 18.120 1.00 0.00 H new ATOM 0 HA THR A 13 63.715 -1.744 18.638 1.00 0.00 H new ATOM 0 HB THR A 13 62.129 -2.463 20.394 1.00 0.00 H new ATOM 0 HG1 THR A 13 59.995 -1.530 20.396 1.00 0.00 H new ATOM 0 HG21 THR A 13 61.731 -0.292 21.522 1.00 0.00 H new ATOM 0 HG22 THR A 13 63.348 -0.345 20.780 1.00 0.00 H new ATOM 0 HG23 THR A 13 62.035 0.559 19.989 1.00 0.00 H new ATOM 207 N GLU A 14 62.626 -4.015 18.006 1.00 0.00 N ATOM 208 CA GLU A 14 62.235 -5.229 17.231 1.00 0.00 C ATOM 209 C GLU A 14 60.706 -5.377 17.191 1.00 0.00 C ATOM 210 O GLU A 14 60.148 -5.809 16.201 1.00 0.00 O ATOM 211 CB GLU A 14 62.890 -6.405 17.963 1.00 0.00 C ATOM 212 CG GLU A 14 62.875 -7.653 17.068 1.00 0.00 C ATOM 213 CD GLU A 14 63.418 -7.317 15.673 1.00 0.00 C ATOM 214 OE1 GLU A 14 64.609 -7.074 15.562 1.00 0.00 O ATOM 215 OE2 GLU A 14 62.632 -7.306 14.740 1.00 0.00 O ATOM 0 H GLU A 14 63.233 -4.188 18.808 1.00 0.00 H new ATOM 0 HA GLU A 14 62.562 -5.175 16.193 1.00 0.00 H new ATOM 0 HB2 GLU A 14 63.916 -6.152 18.231 1.00 0.00 H new ATOM 0 HB3 GLU A 14 62.358 -6.607 18.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 63.478 -8.440 17.520 1.00 0.00 H new ATOM 0 HG3 GLU A 14 61.858 -8.038 16.987 1.00 0.00 H new ATOM 222 N GLU A 15 60.025 -5.001 18.250 1.00 0.00 N ATOM 223 CA GLU A 15 58.530 -5.101 18.259 1.00 0.00 C ATOM 224 C GLU A 15 57.954 -4.254 17.114 1.00 0.00 C ATOM 225 O GLU A 15 57.107 -4.706 16.365 1.00 0.00 O ATOM 226 CB GLU A 15 58.091 -4.550 19.621 1.00 0.00 C ATOM 227 CG GLU A 15 56.734 -5.152 20.006 1.00 0.00 C ATOM 228 CD GLU A 15 56.370 -4.733 21.433 1.00 0.00 C ATOM 229 OE1 GLU A 15 56.762 -5.432 22.352 1.00 0.00 O ATOM 230 OE2 GLU A 15 55.704 -3.721 21.581 1.00 0.00 O ATOM 0 H GLU A 15 60.439 -4.630 19.105 1.00 0.00 H new ATOM 0 HA GLU A 15 58.178 -6.123 18.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 58.836 -4.791 20.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.019 -3.463 19.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.965 -4.815 19.310 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.774 -6.239 19.935 1.00 0.00 H new ATOM 237 N GLN A 16 58.430 -3.037 16.960 1.00 0.00 N ATOM 238 CA GLN A 16 57.933 -2.165 15.848 1.00 0.00 C ATOM 239 C GLN A 16 58.325 -2.769 14.499 1.00 0.00 C ATOM 240 O GLN A 16 57.568 -2.735 13.545 1.00 0.00 O ATOM 241 CB GLN A 16 58.613 -0.808 16.052 1.00 0.00 C ATOM 242 CG GLN A 16 57.815 0.024 17.062 1.00 0.00 C ATOM 243 CD GLN A 16 58.770 0.685 18.058 1.00 0.00 C ATOM 244 OE1 GLN A 16 59.685 1.384 17.670 1.00 0.00 O ATOM 245 NE2 GLN A 16 58.596 0.496 19.335 1.00 0.00 N ATOM 0 H GLN A 16 59.140 -2.613 17.557 1.00 0.00 H new ATOM 0 HA GLN A 16 56.847 -2.069 15.855 1.00 0.00 H new ATOM 0 HB2 GLN A 16 59.633 -0.952 16.410 1.00 0.00 H new ATOM 0 HB3 GLN A 16 58.680 -0.278 15.102 1.00 0.00 H new ATOM 0 HG2 GLN A 16 57.234 0.785 16.542 1.00 0.00 H new ATOM 0 HG3 GLN A 16 57.106 -0.612 17.591 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.829 -0.090 19.664 1.00 0.00 H new ATOM 0 HE22 GLN A 16 59.227 0.934 20.006 1.00 0.00 H new ATOM 254 N LYS A 17 59.495 -3.339 14.428 1.00 0.00 N ATOM 255 CA LYS A 17 59.953 -3.981 13.156 1.00 0.00 C ATOM 256 C LYS A 17 58.983 -5.110 12.784 1.00 0.00 C ATOM 257 O LYS A 17 58.633 -5.282 11.632 1.00 0.00 O ATOM 258 CB LYS A 17 61.347 -4.546 13.457 1.00 0.00 C ATOM 259 CG LYS A 17 62.349 -3.400 13.639 1.00 0.00 C ATOM 260 CD LYS A 17 63.606 -3.677 12.810 1.00 0.00 C ATOM 261 CE LYS A 17 64.394 -4.834 13.434 1.00 0.00 C ATOM 262 NZ LYS A 17 65.558 -5.046 12.527 1.00 0.00 N ATOM 0 H LYS A 17 60.161 -3.390 15.199 1.00 0.00 H new ATOM 0 HA LYS A 17 59.984 -3.280 12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 17 61.314 -5.158 14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 61.669 -5.196 12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.898 -2.457 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.611 -3.297 14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 17 63.330 -3.924 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 17 64.228 -2.783 12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.721 -4.588 14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.782 -5.733 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 66.343 -5.470 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 65.283 -5.683 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 65.862 -4.133 12.133 1.00 0.00 H new ATOM 276 N ASN A 18 58.533 -5.868 13.762 1.00 0.00 N ATOM 277 CA ASN A 18 57.568 -6.977 13.481 1.00 0.00 C ATOM 278 C ASN A 18 56.242 -6.398 12.966 1.00 0.00 C ATOM 279 O ASN A 18 55.637 -6.939 12.061 1.00 0.00 O ATOM 280 CB ASN A 18 57.365 -7.691 14.821 1.00 0.00 C ATOM 281 CG ASN A 18 56.636 -9.016 14.587 1.00 0.00 C ATOM 282 OD1 ASN A 18 57.254 -10.021 14.305 1.00 0.00 O ATOM 283 ND2 ASN A 18 55.338 -9.061 14.693 1.00 0.00 N ATOM 0 H ASN A 18 58.795 -5.763 14.742 1.00 0.00 H new ATOM 0 HA ASN A 18 57.937 -7.662 12.717 1.00 0.00 H new ATOM 0 HB2 ASN A 18 58.328 -7.873 15.298 1.00 0.00 H new ATOM 0 HB3 ASN A 18 56.788 -7.061 15.498 1.00 0.00 H new ATOM 0 HD21 ASN A 18 54.844 -9.940 14.539 1.00 0.00 H new ATOM 0 HD22 ASN A 18 54.816 -8.217 14.930 1.00 0.00 H new ATOM 290 N GLU A 19 55.799 -5.293 13.523 1.00 0.00 N ATOM 291 CA GLU A 19 54.524 -4.666 13.046 1.00 0.00 C ATOM 292 C GLU A 19 54.641 -4.361 11.547 1.00 0.00 C ATOM 293 O GLU A 19 53.730 -4.609 10.780 1.00 0.00 O ATOM 294 CB GLU A 19 54.383 -3.371 13.853 1.00 0.00 C ATOM 295 CG GLU A 19 53.804 -3.684 15.236 1.00 0.00 C ATOM 296 CD GLU A 19 54.128 -2.541 16.203 1.00 0.00 C ATOM 297 OE1 GLU A 19 53.595 -1.459 16.013 1.00 0.00 O ATOM 298 OE2 GLU A 19 54.903 -2.766 17.118 1.00 0.00 O ATOM 0 H GLU A 19 56.265 -4.800 14.285 1.00 0.00 H new ATOM 0 HA GLU A 19 53.659 -5.314 13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 55.355 -2.888 13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.734 -2.672 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.725 -3.819 15.167 1.00 0.00 H new ATOM 0 HG3 GLU A 19 54.219 -4.619 15.611 1.00 0.00 H new ATOM 305 N PHE A 20 55.774 -3.849 11.126 1.00 0.00 N ATOM 306 CA PHE A 20 55.976 -3.555 9.675 1.00 0.00 C ATOM 307 C PHE A 20 56.224 -4.867 8.916 1.00 0.00 C ATOM 308 O PHE A 20 55.874 -4.996 7.759 1.00 0.00 O ATOM 309 CB PHE A 20 57.206 -2.643 9.607 1.00 0.00 C ATOM 310 CG PHE A 20 56.760 -1.200 9.569 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.957 -0.743 8.518 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.146 -0.320 10.587 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.540 0.592 8.483 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.730 1.016 10.553 1.00 0.00 C ATOM 315 CZ PHE A 20 55.926 1.472 9.500 1.00 0.00 C ATOM 0 H PHE A 20 56.567 -3.623 11.727 1.00 0.00 H new ATOM 0 HA PHE A 20 55.107 -3.077 9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.847 -2.814 10.472 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.796 -2.876 8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.659 -1.422 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.765 -0.672 11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.920 0.943 7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.029 1.695 11.338 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.604 2.503 9.473 1.00 0.00 H new ATOM 325 N LYS A 21 56.811 -5.846 9.572 1.00 0.00 N ATOM 326 CA LYS A 21 57.067 -7.163 8.905 1.00 0.00 C ATOM 327 C LYS A 21 55.739 -7.751 8.394 1.00 0.00 C ATOM 328 O LYS A 21 55.701 -8.407 7.373 1.00 0.00 O ATOM 329 CB LYS A 21 57.727 -8.045 9.991 1.00 0.00 C ATOM 330 CG LYS A 21 56.841 -9.245 10.364 1.00 0.00 C ATOM 331 CD LYS A 21 57.025 -10.364 9.333 1.00 0.00 C ATOM 332 CE LYS A 21 58.031 -11.391 9.862 1.00 0.00 C ATOM 333 NZ LYS A 21 58.494 -12.141 8.660 1.00 0.00 N ATOM 0 H LYS A 21 57.123 -5.787 10.541 1.00 0.00 H new ATOM 0 HA LYS A 21 57.716 -7.085 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.692 -8.403 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.920 -7.445 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.102 -9.607 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.795 -8.940 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 21 56.069 -10.847 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 21 57.377 -9.948 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.865 -10.902 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 21 57.567 -12.059 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 59.459 -12.495 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.856 -12.943 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 58.491 -11.509 7.834 1.00 0.00 H new ATOM 347 N ALA A 22 54.649 -7.496 9.086 1.00 0.00 N ATOM 348 CA ALA A 22 53.324 -8.017 8.625 1.00 0.00 C ATOM 349 C ALA A 22 53.033 -7.492 7.212 1.00 0.00 C ATOM 350 O ALA A 22 52.770 -8.253 6.300 1.00 0.00 O ATOM 351 CB ALA A 22 52.308 -7.466 9.632 1.00 0.00 C ATOM 0 H ALA A 22 54.623 -6.951 9.948 1.00 0.00 H new ATOM 0 HA ALA A 22 53.290 -9.105 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.308 -7.805 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.555 -7.824 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.338 -6.376 9.620 1.00 0.00 H new ATOM 357 N ALA A 23 53.111 -6.196 7.025 1.00 0.00 N ATOM 358 CA ALA A 23 52.872 -5.608 5.670 1.00 0.00 C ATOM 359 C ALA A 23 54.019 -6.003 4.729 1.00 0.00 C ATOM 360 O ALA A 23 53.816 -6.248 3.556 1.00 0.00 O ATOM 361 CB ALA A 23 52.855 -4.093 5.896 1.00 0.00 C ATOM 0 H ALA A 23 53.331 -5.519 7.755 1.00 0.00 H new ATOM 0 HA ALA A 23 51.946 -5.958 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.684 -3.585 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.056 -3.838 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.812 -3.776 6.310 1.00 0.00 H new ATOM 367 N PHE A 24 55.221 -6.075 5.251 1.00 0.00 N ATOM 368 CA PHE A 24 56.402 -6.464 4.417 1.00 0.00 C ATOM 369 C PHE A 24 56.219 -7.886 3.858 1.00 0.00 C ATOM 370 O PHE A 24 56.357 -8.113 2.671 1.00 0.00 O ATOM 371 CB PHE A 24 57.588 -6.408 5.387 1.00 0.00 C ATOM 372 CG PHE A 24 58.868 -6.737 4.659 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.592 -5.724 4.020 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.331 -8.057 4.627 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.780 -6.033 3.348 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.519 -8.366 3.956 1.00 0.00 C ATOM 377 CZ PHE A 24 61.244 -7.354 3.316 1.00 0.00 C ATOM 0 H PHE A 24 55.435 -5.879 6.229 1.00 0.00 H new ATOM 0 HA PHE A 24 56.542 -5.810 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.658 -5.415 5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.433 -7.113 6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.234 -4.705 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.771 -8.838 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.339 -5.252 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.877 -9.385 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.161 -7.592 2.798 1.00 0.00 H new ATOM 387 N ASP A 25 55.905 -8.836 4.707 1.00 0.00 N ATOM 388 CA ASP A 25 55.706 -10.245 4.238 1.00 0.00 C ATOM 389 C ASP A 25 54.530 -10.316 3.253 1.00 0.00 C ATOM 390 O ASP A 25 54.624 -10.938 2.212 1.00 0.00 O ATOM 391 CB ASP A 25 55.407 -11.051 5.510 1.00 0.00 C ATOM 392 CG ASP A 25 56.711 -11.596 6.100 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.645 -10.823 6.251 1.00 0.00 O ATOM 394 OD2 ASP A 25 56.754 -12.778 6.399 1.00 0.00 O ATOM 0 H ASP A 25 55.777 -8.695 5.709 1.00 0.00 H new ATOM 0 HA ASP A 25 56.578 -10.634 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.903 -10.419 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.730 -11.874 5.279 1.00 0.00 H new ATOM 399 N ILE A 26 53.432 -9.670 3.563 1.00 0.00 N ATOM 400 CA ILE A 26 52.261 -9.686 2.629 1.00 0.00 C ATOM 401 C ILE A 26 52.627 -8.952 1.326 1.00 0.00 C ATOM 402 O ILE A 26 52.125 -9.272 0.264 1.00 0.00 O ATOM 403 CB ILE A 26 51.132 -8.971 3.385 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.525 -9.940 4.408 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.042 -8.525 2.404 1.00 0.00 C ATOM 406 CD1 ILE A 26 49.815 -9.152 5.512 1.00 0.00 C ATOM 0 H ILE A 26 53.296 -9.134 4.420 1.00 0.00 H new ATOM 0 HA ILE A 26 51.960 -10.694 2.344 1.00 0.00 H new ATOM 0 HB ILE A 26 51.536 -8.094 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.820 -10.609 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.307 -10.564 4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.246 -8.019 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.470 -7.842 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 26 49.634 -9.397 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.386 -9.845 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.532 -8.502 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.021 -8.547 5.074 1.00 0.00 H new ATOM 418 N PHE A 27 53.512 -7.984 1.400 1.00 0.00 N ATOM 419 CA PHE A 27 53.933 -7.240 0.170 1.00 0.00 C ATOM 420 C PHE A 27 54.603 -8.198 -0.823 1.00 0.00 C ATOM 421 O PHE A 27 54.357 -8.143 -2.011 1.00 0.00 O ATOM 422 CB PHE A 27 54.946 -6.193 0.650 1.00 0.00 C ATOM 423 CG PHE A 27 54.416 -4.803 0.386 1.00 0.00 C ATOM 424 CD1 PHE A 27 53.983 -4.449 -0.898 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.363 -3.869 1.426 1.00 0.00 C ATOM 426 CE1 PHE A 27 53.497 -3.160 -1.140 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.876 -2.580 1.183 1.00 0.00 C ATOM 428 CZ PHE A 27 53.443 -2.226 -0.100 1.00 0.00 C ATOM 0 H PHE A 27 53.962 -7.677 2.263 1.00 0.00 H new ATOM 0 HA PHE A 27 53.083 -6.783 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.138 -6.322 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.897 -6.332 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.024 -5.171 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.698 -4.143 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.163 -2.886 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.834 -1.858 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.067 -1.231 -0.287 1.00 0.00 H new ATOM 438 N VAL A 28 55.449 -9.079 -0.342 1.00 0.00 N ATOM 439 CA VAL A 28 56.139 -10.041 -1.263 1.00 0.00 C ATOM 440 C VAL A 28 55.298 -11.318 -1.465 1.00 0.00 C ATOM 441 O VAL A 28 55.829 -12.406 -1.582 1.00 0.00 O ATOM 442 CB VAL A 28 57.488 -10.371 -0.595 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.335 -9.100 -0.484 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.263 -10.951 0.807 1.00 0.00 C ATOM 0 H VAL A 28 55.691 -9.174 0.644 1.00 0.00 H new ATOM 0 HA VAL A 28 56.279 -9.608 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 28 58.007 -11.108 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.288 -9.338 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.515 -8.695 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 57.806 -8.361 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.225 -11.179 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 56.732 -10.223 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 56.672 -11.864 0.733 1.00 0.00 H new ATOM 454 N LEU A 29 53.991 -11.193 -1.530 1.00 0.00 N ATOM 455 CA LEU A 29 53.131 -12.400 -1.749 1.00 0.00 C ATOM 456 C LEU A 29 53.244 -12.853 -3.208 1.00 0.00 C ATOM 457 O LEU A 29 53.403 -14.025 -3.493 1.00 0.00 O ATOM 458 CB LEU A 29 51.700 -11.952 -1.429 1.00 0.00 C ATOM 459 CG LEU A 29 51.308 -12.457 -0.038 1.00 0.00 C ATOM 460 CD1 LEU A 29 50.102 -11.669 0.477 1.00 0.00 C ATOM 461 CD2 LEU A 29 50.947 -13.943 -0.115 1.00 0.00 C ATOM 0 H LEU A 29 53.486 -10.311 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 29 53.430 -13.241 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 51.631 -10.865 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 29 51.009 -12.341 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 29 52.148 -12.320 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.826 -12.032 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.357 -10.611 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 29 49.262 -11.802 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.668 -14.301 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.109 -14.079 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.806 -14.508 -0.477 1.00 0.00 H new ATOM 473 N GLY A 30 53.181 -11.925 -4.132 1.00 0.00 N ATOM 474 CA GLY A 30 53.304 -12.284 -5.577 1.00 0.00 C ATOM 475 C GLY A 30 54.636 -11.755 -6.121 1.00 0.00 C ATOM 476 O GLY A 30 54.748 -11.424 -7.286 1.00 0.00 O ATOM 0 H GLY A 30 53.049 -10.931 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 30 53.252 -13.366 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 30 52.474 -11.859 -6.141 1.00 0.00 H new ATOM 480 N ALA A 31 55.647 -11.671 -5.286 1.00 0.00 N ATOM 481 CA ALA A 31 56.974 -11.160 -5.754 1.00 0.00 C ATOM 482 C ALA A 31 57.876 -12.322 -6.191 1.00 0.00 C ATOM 483 O ALA A 31 58.472 -12.997 -5.372 1.00 0.00 O ATOM 484 CB ALA A 31 57.578 -10.436 -4.545 1.00 0.00 C ATOM 0 H ALA A 31 55.609 -11.935 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 31 56.873 -10.499 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 58.555 -10.033 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 56.920 -9.621 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 31 57.689 -11.138 -3.719 1.00 0.00 H new ATOM 490 N GLU A 32 57.986 -12.553 -7.477 1.00 0.00 N ATOM 491 CA GLU A 32 58.860 -13.668 -7.974 1.00 0.00 C ATOM 492 C GLU A 32 60.321 -13.448 -7.541 1.00 0.00 C ATOM 493 O GLU A 32 61.084 -14.388 -7.419 1.00 0.00 O ATOM 494 CB GLU A 32 58.734 -13.638 -9.505 1.00 0.00 C ATOM 495 CG GLU A 32 59.184 -12.274 -10.050 1.00 0.00 C ATOM 496 CD GLU A 32 60.388 -12.455 -10.978 1.00 0.00 C ATOM 497 OE1 GLU A 32 61.415 -12.914 -10.508 1.00 0.00 O ATOM 498 OE2 GLU A 32 60.263 -12.122 -12.145 1.00 0.00 O ATOM 0 H GLU A 32 57.510 -12.020 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 32 58.557 -14.632 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 32 59.341 -14.430 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 32 57.701 -13.831 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.365 -11.801 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 32 59.446 -11.612 -9.225 1.00 0.00 H new ATOM 505 N ASP A 33 60.709 -12.216 -7.300 1.00 0.00 N ATOM 506 CA ASP A 33 62.114 -11.929 -6.864 1.00 0.00 C ATOM 507 C ASP A 33 62.352 -12.453 -5.437 1.00 0.00 C ATOM 508 O ASP A 33 63.462 -12.795 -5.073 1.00 0.00 O ATOM 509 CB ASP A 33 62.239 -10.398 -6.894 1.00 0.00 C ATOM 510 CG ASP A 33 61.897 -9.866 -8.288 1.00 0.00 C ATOM 511 OD1 ASP A 33 62.776 -9.860 -9.133 1.00 0.00 O ATOM 512 OD2 ASP A 33 60.760 -9.467 -8.485 1.00 0.00 O ATOM 0 H ASP A 33 60.110 -11.395 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 33 62.847 -12.414 -7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 61.571 -9.957 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 33 63.253 -10.103 -6.623 1.00 0.00 H new ATOM 517 N GLY A 34 61.320 -12.507 -4.624 1.00 0.00 N ATOM 518 CA GLY A 34 61.483 -12.996 -3.219 1.00 0.00 C ATOM 519 C GLY A 34 61.315 -11.823 -2.246 1.00 0.00 C ATOM 520 O GLY A 34 60.770 -11.973 -1.170 1.00 0.00 O ATOM 0 H GLY A 34 60.371 -12.232 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.745 -13.769 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.466 -13.449 -3.092 1.00 0.00 H new ATOM 524 N CYS A 35 61.772 -10.654 -2.625 1.00 0.00 N ATOM 525 CA CYS A 35 61.641 -9.453 -1.738 1.00 0.00 C ATOM 526 C CYS A 35 60.877 -8.341 -2.476 1.00 0.00 C ATOM 527 O CYS A 35 60.358 -8.552 -3.558 1.00 0.00 O ATOM 528 CB CYS A 35 63.081 -9.021 -1.438 1.00 0.00 C ATOM 529 SG CYS A 35 63.904 -8.523 -2.973 1.00 0.00 S ATOM 0 H CYS A 35 62.234 -10.478 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 35 61.088 -9.666 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 35 63.082 -8.193 -0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.627 -9.841 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 35 65.174 -8.359 -2.751 1.00 0.00 H new ATOM 535 N ILE A 36 60.801 -7.159 -1.910 1.00 0.00 N ATOM 536 CA ILE A 36 60.067 -6.055 -2.606 1.00 0.00 C ATOM 537 C ILE A 36 60.965 -5.411 -3.673 1.00 0.00 C ATOM 538 O ILE A 36 61.864 -4.645 -3.372 1.00 0.00 O ATOM 539 CB ILE A 36 59.685 -5.042 -1.516 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.507 -5.591 -0.705 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.261 -3.719 -2.169 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.765 -5.390 0.790 1.00 0.00 C ATOM 0 H ILE A 36 61.210 -6.913 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 36 59.179 -6.422 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 36 60.542 -4.874 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.587 -5.084 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 36 58.369 -6.651 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.990 -3.001 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.088 -3.323 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.403 -3.892 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.923 -5.783 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.675 -5.917 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.881 -4.327 1.000 1.00 0.00 H new ATOM 554 N SER A 37 60.718 -5.723 -4.918 1.00 0.00 N ATOM 555 CA SER A 37 61.534 -5.143 -6.027 1.00 0.00 C ATOM 556 C SER A 37 60.705 -4.110 -6.805 1.00 0.00 C ATOM 557 O SER A 37 59.620 -3.740 -6.397 1.00 0.00 O ATOM 558 CB SER A 37 61.884 -6.335 -6.918 1.00 0.00 C ATOM 559 OG SER A 37 63.146 -6.107 -7.530 1.00 0.00 O ATOM 0 H SER A 37 59.980 -6.360 -5.217 1.00 0.00 H new ATOM 0 HA SER A 37 62.425 -4.628 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.913 -7.250 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.117 -6.472 -7.680 1.00 0.00 H new ATOM 0 HG SER A 37 63.375 -6.870 -8.101 1.00 0.00 H new ATOM 565 N THR A 38 61.205 -3.645 -7.924 1.00 0.00 N ATOM 566 CA THR A 38 60.441 -2.637 -8.735 1.00 0.00 C ATOM 567 C THR A 38 59.122 -3.242 -9.244 1.00 0.00 C ATOM 568 O THR A 38 58.106 -2.573 -9.299 1.00 0.00 O ATOM 569 CB THR A 38 61.353 -2.280 -9.918 1.00 0.00 C ATOM 570 OG1 THR A 38 61.821 -3.472 -10.539 1.00 0.00 O ATOM 571 CG2 THR A 38 62.546 -1.460 -9.424 1.00 0.00 C ATOM 0 H THR A 38 62.108 -3.917 -8.313 1.00 0.00 H new ATOM 0 HA THR A 38 60.183 -1.759 -8.143 1.00 0.00 H new ATOM 0 HB THR A 38 60.787 -1.693 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.401 -3.241 -11.294 1.00 0.00 H new ATOM 0 HG21 THR A 38 63.190 -1.210 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 38 62.188 -0.543 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.111 -2.042 -8.696 1.00 0.00 H new ATOM 579 N LYS A 39 59.137 -4.499 -9.617 1.00 0.00 N ATOM 580 CA LYS A 39 57.893 -5.161 -10.130 1.00 0.00 C ATOM 581 C LYS A 39 56.806 -5.218 -9.044 1.00 0.00 C ATOM 582 O LYS A 39 55.659 -4.898 -9.291 1.00 0.00 O ATOM 583 CB LYS A 39 58.328 -6.580 -10.512 1.00 0.00 C ATOM 584 CG LYS A 39 58.836 -6.599 -11.956 1.00 0.00 C ATOM 585 CD LYS A 39 59.334 -8.006 -12.307 1.00 0.00 C ATOM 586 CE LYS A 39 60.828 -8.122 -11.983 1.00 0.00 C ATOM 587 NZ LYS A 39 60.989 -9.471 -11.369 1.00 0.00 N ATOM 0 H LYS A 39 59.961 -5.099 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 39 57.466 -4.613 -10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.112 -6.923 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.490 -7.268 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.038 -6.304 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.642 -5.876 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 39 58.771 -8.752 -11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.165 -8.209 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 39 61.435 -8.023 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 39 61.145 -7.336 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.987 -9.622 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 60.405 -9.534 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 60.687 -10.199 -12.047 1.00 0.00 H new ATOM 601 N GLU A 40 57.157 -5.639 -7.850 1.00 0.00 N ATOM 602 CA GLU A 40 56.143 -5.740 -6.747 1.00 0.00 C ATOM 603 C GLU A 40 55.513 -4.370 -6.431 1.00 0.00 C ATOM 604 O GLU A 40 54.350 -4.286 -6.079 1.00 0.00 O ATOM 605 CB GLU A 40 56.916 -6.304 -5.535 1.00 0.00 C ATOM 606 CG GLU A 40 57.459 -5.176 -4.647 1.00 0.00 C ATOM 607 CD GLU A 40 56.468 -4.881 -3.516 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.176 -5.792 -2.758 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.026 -3.748 -3.422 1.00 0.00 O ATOM 0 H GLU A 40 58.103 -5.918 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 40 55.308 -6.383 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 56.259 -6.947 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.741 -6.925 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.425 -5.462 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.622 -4.278 -5.243 1.00 0.00 H new ATOM 616 N LEU A 41 56.267 -3.303 -6.555 1.00 0.00 N ATOM 617 CA LEU A 41 55.711 -1.948 -6.257 1.00 0.00 C ATOM 618 C LEU A 41 54.681 -1.554 -7.320 1.00 0.00 C ATOM 619 O LEU A 41 53.505 -1.425 -7.036 1.00 0.00 O ATOM 620 CB LEU A 41 56.924 -1.007 -6.296 1.00 0.00 C ATOM 621 CG LEU A 41 56.538 0.391 -5.791 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.623 1.087 -6.799 1.00 0.00 C ATOM 623 CD2 LEU A 41 55.813 0.280 -4.446 1.00 0.00 C ATOM 0 H LEU A 41 57.243 -3.314 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 41 55.199 -1.910 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.727 -1.413 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.306 -0.939 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 41 57.449 0.977 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.358 2.077 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 41 56.141 1.185 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.717 0.497 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 55.543 1.276 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.911 -0.319 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 56.469 -0.196 -3.717 1.00 0.00 H new ATOM 635 N GLY A 42 55.127 -1.354 -8.539 1.00 0.00 N ATOM 636 CA GLY A 42 54.201 -0.959 -9.651 1.00 0.00 C ATOM 637 C GLY A 42 52.925 -1.813 -9.621 1.00 0.00 C ATOM 638 O GLY A 42 51.835 -1.306 -9.798 1.00 0.00 O ATOM 0 H GLY A 42 56.105 -1.449 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.942 0.096 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.704 -1.080 -10.611 1.00 0.00 H new ATOM 642 N LYS A 43 53.054 -3.101 -9.394 1.00 0.00 N ATOM 643 CA LYS A 43 51.844 -3.987 -9.344 1.00 0.00 C ATOM 644 C LYS A 43 50.855 -3.482 -8.280 1.00 0.00 C ATOM 645 O LYS A 43 49.681 -3.312 -8.547 1.00 0.00 O ATOM 646 CB LYS A 43 52.378 -5.376 -8.977 1.00 0.00 C ATOM 647 CG LYS A 43 52.478 -6.232 -10.242 1.00 0.00 C ATOM 648 CD LYS A 43 52.746 -7.690 -9.856 1.00 0.00 C ATOM 649 CE LYS A 43 52.024 -8.624 -10.834 1.00 0.00 C ATOM 650 NZ LYS A 43 50.649 -8.783 -10.278 1.00 0.00 N ATOM 0 H LYS A 43 53.944 -3.576 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 43 51.304 -4.000 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.357 -5.289 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.717 -5.853 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 43 51.554 -6.161 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 43 53.279 -5.861 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 43 53.817 -7.889 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 43 52.402 -7.876 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 43 51.997 -8.199 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.532 -9.585 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 50.095 -9.410 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 50.705 -9.196 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 50.186 -7.853 -10.225 1.00 0.00 H new ATOM 664 N VAL A 44 51.326 -3.228 -7.082 1.00 0.00 N ATOM 665 CA VAL A 44 50.419 -2.716 -6.002 1.00 0.00 C ATOM 666 C VAL A 44 49.937 -1.296 -6.343 1.00 0.00 C ATOM 667 O VAL A 44 48.809 -0.930 -6.066 1.00 0.00 O ATOM 668 CB VAL A 44 51.283 -2.706 -4.731 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.630 -1.823 -3.661 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.416 -4.134 -4.193 1.00 0.00 C ATOM 0 H VAL A 44 52.299 -3.353 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 44 49.527 -3.331 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 44 52.269 -2.309 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.249 -1.821 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.535 -0.805 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.642 -2.214 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.029 -4.128 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.427 -4.527 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.887 -4.765 -4.947 1.00 0.00 H new ATOM 680 N MET A 45 50.788 -0.498 -6.941 1.00 0.00 N ATOM 681 CA MET A 45 50.399 0.903 -7.306 1.00 0.00 C ATOM 682 C MET A 45 49.251 0.913 -8.329 1.00 0.00 C ATOM 683 O MET A 45 48.427 1.804 -8.329 1.00 0.00 O ATOM 684 CB MET A 45 51.664 1.512 -7.909 1.00 0.00 C ATOM 685 CG MET A 45 52.399 2.290 -6.824 1.00 0.00 C ATOM 686 SD MET A 45 53.312 3.657 -7.569 1.00 0.00 S ATOM 687 CE MET A 45 53.320 4.700 -6.098 1.00 0.00 C ATOM 0 H MET A 45 51.741 -0.758 -7.194 1.00 0.00 H new ATOM 0 HA MET A 45 50.039 1.463 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.305 0.728 -8.312 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.407 2.171 -8.738 1.00 0.00 H new ATOM 0 HG2 MET A 45 51.688 2.671 -6.091 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.084 1.631 -6.290 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.092 5.463 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 45 52.347 5.179 -5.987 1.00 0.00 H new ATOM 0 HE3 MET A 45 53.526 4.088 -5.219 1.00 0.00 H new ATOM 697 N ARG A 46 49.192 -0.068 -9.199 1.00 0.00 N ATOM 698 CA ARG A 46 48.097 -0.112 -10.227 1.00 0.00 C ATOM 699 C ARG A 46 46.718 0.130 -9.588 1.00 0.00 C ATOM 700 O ARG A 46 45.898 0.846 -10.130 1.00 0.00 O ATOM 701 CB ARG A 46 48.174 -1.517 -10.835 1.00 0.00 C ATOM 702 CG ARG A 46 48.461 -1.407 -12.335 1.00 0.00 C ATOM 703 CD ARG A 46 49.900 -0.925 -12.548 1.00 0.00 C ATOM 704 NE ARG A 46 50.179 -1.153 -13.997 1.00 0.00 N ATOM 705 CZ ARG A 46 49.570 -0.436 -14.902 1.00 0.00 C ATOM 706 NH1 ARG A 46 49.907 0.808 -15.080 1.00 0.00 N ATOM 707 NH2 ARG A 46 48.627 -0.966 -15.627 1.00 0.00 N ATOM 0 H ARG A 46 49.855 -0.842 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 46 48.222 0.668 -10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 46 48.958 -2.095 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.236 -2.048 -10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.316 -2.375 -12.815 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.761 -0.712 -12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 46 50.005 0.128 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 46 50.598 -1.479 -11.921 1.00 0.00 H new ATOM 0 HE ARG A 46 50.847 -1.870 -14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 46 50.647 1.222 -14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.432 1.369 -15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 48.364 -1.942 -15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 46 48.151 -0.405 -16.334 1.00 0.00 H new ATOM 721 N MET A 47 46.460 -0.449 -8.439 1.00 0.00 N ATOM 722 CA MET A 47 45.136 -0.234 -7.768 1.00 0.00 C ATOM 723 C MET A 47 45.206 0.978 -6.817 1.00 0.00 C ATOM 724 O MET A 47 44.214 1.638 -6.572 1.00 0.00 O ATOM 725 CB MET A 47 44.848 -1.536 -7.004 1.00 0.00 C ATOM 726 CG MET A 47 45.647 -1.584 -5.696 1.00 0.00 C ATOM 727 SD MET A 47 45.302 -3.138 -4.836 1.00 0.00 S ATOM 728 CE MET A 47 46.703 -3.077 -3.693 1.00 0.00 C ATOM 0 H MET A 47 47.106 -1.059 -7.938 1.00 0.00 H new ATOM 0 HA MET A 47 44.342 -0.015 -8.482 1.00 0.00 H new ATOM 0 HB2 MET A 47 43.782 -1.609 -6.788 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.106 -2.393 -7.626 1.00 0.00 H new ATOM 0 HG2 MET A 47 46.713 -1.501 -5.905 1.00 0.00 H new ATOM 0 HG3 MET A 47 45.380 -0.738 -5.063 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.601 -3.868 -2.950 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.631 -3.217 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 47 46.722 -2.109 -3.192 1.00 0.00 H new ATOM 738 N LEU A 48 46.372 1.276 -6.292 1.00 0.00 N ATOM 739 CA LEU A 48 46.521 2.442 -5.373 1.00 0.00 C ATOM 740 C LEU A 48 47.686 3.321 -5.855 1.00 0.00 C ATOM 741 O LEU A 48 48.820 3.148 -5.445 1.00 0.00 O ATOM 742 CB LEU A 48 46.825 1.821 -4.003 1.00 0.00 C ATOM 743 CG LEU A 48 46.971 2.930 -2.962 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.586 3.400 -2.515 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.742 2.399 -1.751 1.00 0.00 C ATOM 0 H LEU A 48 47.232 0.755 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 48 45.636 3.077 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 48 46.024 1.140 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.741 1.232 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 48 47.515 3.766 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.692 4.191 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.036 3.781 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 48 45.041 2.563 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.845 3.191 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 47.200 1.561 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.731 2.066 -2.067 1.00 0.00 H new ATOM 757 N GLY A 49 47.418 4.248 -6.743 1.00 0.00 N ATOM 758 CA GLY A 49 48.509 5.123 -7.278 1.00 0.00 C ATOM 759 C GLY A 49 49.044 4.498 -8.569 1.00 0.00 C ATOM 760 O GLY A 49 50.140 3.977 -8.602 1.00 0.00 O ATOM 0 H GLY A 49 46.490 4.437 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 49 48.129 6.126 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 49 49.309 5.221 -6.545 1.00 0.00 H new ATOM 764 N GLN A 50 48.252 4.528 -9.617 1.00 0.00 N ATOM 765 CA GLN A 50 48.653 3.917 -10.932 1.00 0.00 C ATOM 766 C GLN A 50 50.145 4.099 -11.244 1.00 0.00 C ATOM 767 O GLN A 50 50.707 5.165 -11.071 1.00 0.00 O ATOM 768 CB GLN A 50 47.807 4.638 -11.979 1.00 0.00 C ATOM 769 CG GLN A 50 46.583 3.777 -12.309 1.00 0.00 C ATOM 770 CD GLN A 50 46.936 2.776 -13.413 1.00 0.00 C ATOM 771 OE1 GLN A 50 47.976 2.149 -13.374 1.00 0.00 O ATOM 772 NE2 GLN A 50 46.108 2.594 -14.402 1.00 0.00 N ATOM 0 H GLN A 50 47.327 4.958 -9.618 1.00 0.00 H new ATOM 0 HA GLN A 50 48.489 2.839 -10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.492 5.612 -11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.395 4.818 -12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.249 3.246 -11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.757 4.411 -12.631 1.00 0.00 H new ATOM 0 HE21 GLN A 50 45.234 3.118 -14.438 1.00 0.00 H new ATOM 0 HE22 GLN A 50 46.334 1.927 -15.140 1.00 0.00 H new ATOM 781 N ASN A 51 50.776 3.054 -11.722 1.00 0.00 N ATOM 782 CA ASN A 51 52.226 3.133 -12.071 1.00 0.00 C ATOM 783 C ASN A 51 52.394 3.301 -13.589 1.00 0.00 C ATOM 784 O ASN A 51 52.024 2.426 -14.351 1.00 0.00 O ATOM 785 CB ASN A 51 52.824 1.801 -11.615 1.00 0.00 C ATOM 786 CG ASN A 51 54.306 1.770 -11.984 1.00 0.00 C ATOM 787 OD1 ASN A 51 55.086 2.533 -11.454 1.00 0.00 O ATOM 788 ND2 ASN A 51 54.728 0.929 -12.886 1.00 0.00 N ATOM 0 H ASN A 51 50.344 2.144 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 51 52.717 3.982 -11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 51 52.701 1.682 -10.538 1.00 0.00 H new ATOM 0 HB3 ASN A 51 52.300 0.971 -12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 51 55.714 0.912 -13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 51 54.072 0.287 -13.332 1.00 0.00 H new ATOM 795 N PRO A 52 52.946 4.425 -13.978 1.00 0.00 N ATOM 796 CA PRO A 52 53.161 4.711 -15.422 1.00 0.00 C ATOM 797 C PRO A 52 54.316 3.871 -16.004 1.00 0.00 C ATOM 798 O PRO A 52 54.108 3.051 -16.878 1.00 0.00 O ATOM 799 CB PRO A 52 53.488 6.204 -15.444 1.00 0.00 C ATOM 800 CG PRO A 52 54.021 6.515 -14.079 1.00 0.00 C ATOM 801 CD PRO A 52 53.409 5.525 -13.120 1.00 0.00 C ATOM 0 HA PRO A 52 52.296 4.457 -16.034 1.00 0.00 H new ATOM 0 HB2 PRO A 52 54.224 6.434 -16.215 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.600 6.797 -15.664 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.108 6.441 -14.065 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.768 7.535 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 54.138 5.178 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.584 5.969 -12.563 1.00 0.00 H new ATOM 809 N THR A 53 55.526 4.075 -15.540 1.00 0.00 N ATOM 810 CA THR A 53 56.684 3.296 -16.085 1.00 0.00 C ATOM 811 C THR A 53 57.341 2.448 -14.986 1.00 0.00 C ATOM 812 O THR A 53 57.289 2.793 -13.821 1.00 0.00 O ATOM 813 CB THR A 53 57.673 4.347 -16.611 1.00 0.00 C ATOM 814 OG1 THR A 53 57.615 5.517 -15.803 1.00 0.00 O ATOM 815 CG2 THR A 53 57.320 4.706 -18.055 1.00 0.00 C ATOM 0 H THR A 53 55.762 4.746 -14.809 1.00 0.00 H new ATOM 0 HA THR A 53 56.367 2.605 -16.866 1.00 0.00 H new ATOM 0 HB THR A 53 58.682 3.936 -16.574 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.250 6.182 -16.144 1.00 0.00 H new ATOM 0 HG21 THR A 53 58.023 5.452 -18.427 1.00 0.00 H new ATOM 0 HG22 THR A 53 57.377 3.812 -18.676 1.00 0.00 H new ATOM 0 HG23 THR A 53 56.308 5.110 -18.093 1.00 0.00 H new ATOM 823 N PRO A 54 57.948 1.357 -15.403 1.00 0.00 N ATOM 824 CA PRO A 54 58.630 0.438 -14.446 1.00 0.00 C ATOM 825 C PRO A 54 59.924 1.064 -13.897 1.00 0.00 C ATOM 826 O PRO A 54 60.261 0.889 -12.741 1.00 0.00 O ATOM 827 CB PRO A 54 58.938 -0.795 -15.294 1.00 0.00 C ATOM 828 CG PRO A 54 58.993 -0.295 -16.702 1.00 0.00 C ATOM 829 CD PRO A 54 58.053 0.878 -16.790 1.00 0.00 C ATOM 0 HA PRO A 54 58.020 0.213 -13.571 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.884 -1.250 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.168 -1.557 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 54 60.008 0.003 -16.966 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.699 -1.078 -17.401 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.442 1.652 -17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.081 0.581 -17.184 1.00 0.00 H new ATOM 837 N GLU A 55 60.648 1.786 -14.717 1.00 0.00 N ATOM 838 CA GLU A 55 61.922 2.423 -14.248 1.00 0.00 C ATOM 839 C GLU A 55 61.642 3.443 -13.134 1.00 0.00 C ATOM 840 O GLU A 55 62.449 3.635 -12.245 1.00 0.00 O ATOM 841 CB GLU A 55 62.495 3.119 -15.484 1.00 0.00 C ATOM 842 CG GLU A 55 63.409 2.148 -16.238 1.00 0.00 C ATOM 843 CD GLU A 55 62.566 1.197 -17.094 1.00 0.00 C ATOM 844 OE1 GLU A 55 62.053 1.640 -18.108 1.00 0.00 O ATOM 845 OE2 GLU A 55 62.448 0.043 -16.718 1.00 0.00 O ATOM 0 H GLU A 55 60.412 1.963 -15.694 1.00 0.00 H new ATOM 0 HA GLU A 55 62.615 1.692 -13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.686 3.453 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 55 63.054 4.007 -15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 55 64.101 2.703 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 55 64.011 1.578 -15.531 1.00 0.00 H new ATOM 852 N GLU A 56 60.501 4.094 -13.181 1.00 0.00 N ATOM 853 CA GLU A 56 60.149 5.107 -12.133 1.00 0.00 C ATOM 854 C GLU A 56 60.303 4.519 -10.720 1.00 0.00 C ATOM 855 O GLU A 56 60.781 5.184 -9.818 1.00 0.00 O ATOM 856 CB GLU A 56 58.686 5.466 -12.412 1.00 0.00 C ATOM 857 CG GLU A 56 58.246 6.603 -11.484 1.00 0.00 C ATOM 858 CD GLU A 56 57.439 7.636 -12.273 1.00 0.00 C ATOM 859 OE1 GLU A 56 58.037 8.361 -13.050 1.00 0.00 O ATOM 860 OE2 GLU A 56 56.239 7.696 -12.071 1.00 0.00 O ATOM 0 H GLU A 56 59.795 3.965 -13.906 1.00 0.00 H new ATOM 0 HA GLU A 56 60.804 5.977 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.568 5.767 -13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 56 58.052 4.593 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 57.644 6.205 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 56 59.119 7.076 -11.035 1.00 0.00 H new ATOM 867 N LEU A 57 59.910 3.283 -10.516 1.00 0.00 N ATOM 868 CA LEU A 57 60.049 2.674 -9.153 1.00 0.00 C ATOM 869 C LEU A 57 61.519 2.350 -8.867 1.00 0.00 C ATOM 870 O LEU A 57 61.959 2.411 -7.735 1.00 0.00 O ATOM 871 CB LEU A 57 59.220 1.383 -9.147 1.00 0.00 C ATOM 872 CG LEU A 57 57.751 1.641 -9.535 1.00 0.00 C ATOM 873 CD1 LEU A 57 57.335 3.082 -9.210 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.567 1.381 -11.030 1.00 0.00 C ATOM 0 H LEU A 57 59.503 2.675 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 57 59.700 3.365 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.659 0.667 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.260 0.931 -8.156 1.00 0.00 H new ATOM 0 HG LEU A 57 57.120 0.966 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 57 56.294 3.233 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.448 3.261 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.967 3.777 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.528 1.563 -11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 57 58.216 2.048 -11.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.826 0.346 -11.254 1.00 0.00 H new ATOM 886 N GLN A 58 62.289 2.018 -9.880 1.00 0.00 N ATOM 887 CA GLN A 58 63.735 1.718 -9.642 1.00 0.00 C ATOM 888 C GLN A 58 64.386 2.947 -8.993 1.00 0.00 C ATOM 889 O GLN A 58 65.110 2.830 -8.027 1.00 0.00 O ATOM 890 CB GLN A 58 64.329 1.384 -11.029 1.00 0.00 C ATOM 891 CG GLN A 58 65.398 2.407 -11.443 1.00 0.00 C ATOM 892 CD GLN A 58 66.491 1.707 -12.251 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.267 1.297 -13.371 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.674 1.550 -11.726 1.00 0.00 N ATOM 0 H GLN A 58 61.981 1.943 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 58 63.904 0.880 -8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.767 0.386 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.532 1.367 -11.773 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.945 3.201 -12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 58 65.829 2.876 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 58 67.864 1.894 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 58 68.410 1.083 -12.257 1.00 0.00 H new ATOM 903 N GLU A 59 64.096 4.130 -9.490 1.00 0.00 N ATOM 904 CA GLU A 59 64.668 5.361 -8.860 1.00 0.00 C ATOM 905 C GLU A 59 64.176 5.444 -7.406 1.00 0.00 C ATOM 906 O GLU A 59 64.900 5.846 -6.516 1.00 0.00 O ATOM 907 CB GLU A 59 64.130 6.536 -9.685 1.00 0.00 C ATOM 908 CG GLU A 59 65.053 6.794 -10.885 1.00 0.00 C ATOM 909 CD GLU A 59 64.453 6.171 -12.151 1.00 0.00 C ATOM 910 OE1 GLU A 59 63.344 6.541 -12.505 1.00 0.00 O ATOM 911 OE2 GLU A 59 65.115 5.338 -12.746 1.00 0.00 O ATOM 0 H GLU A 59 63.494 4.293 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 59 65.758 5.363 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.120 6.317 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.067 7.430 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.188 7.866 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 59 66.039 6.371 -10.694 1.00 0.00 H new ATOM 918 N MET A 60 62.948 5.032 -7.167 1.00 0.00 N ATOM 919 CA MET A 60 62.392 5.046 -5.777 1.00 0.00 C ATOM 920 C MET A 60 63.210 4.103 -4.877 1.00 0.00 C ATOM 921 O MET A 60 63.438 4.383 -3.715 1.00 0.00 O ATOM 922 CB MET A 60 60.945 4.535 -5.911 1.00 0.00 C ATOM 923 CG MET A 60 59.968 5.712 -5.820 1.00 0.00 C ATOM 924 SD MET A 60 58.582 5.445 -6.956 1.00 0.00 S ATOM 925 CE MET A 60 57.592 4.379 -5.877 1.00 0.00 C ATOM 0 H MET A 60 62.307 4.686 -7.881 1.00 0.00 H new ATOM 0 HA MET A 60 62.430 6.039 -5.329 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.819 4.019 -6.863 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.731 3.811 -5.125 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.600 5.813 -4.799 1.00 0.00 H new ATOM 0 HG3 MET A 60 60.480 6.642 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.533 4.580 -6.039 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.802 3.334 -6.106 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.844 4.580 -4.836 1.00 0.00 H new ATOM 935 N ILE A 61 63.652 2.987 -5.412 1.00 0.00 N ATOM 936 CA ILE A 61 64.454 2.016 -4.601 1.00 0.00 C ATOM 937 C ILE A 61 65.940 2.416 -4.571 1.00 0.00 C ATOM 938 O ILE A 61 66.629 2.164 -3.605 1.00 0.00 O ATOM 939 CB ILE A 61 64.249 0.656 -5.299 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.099 -0.442 -4.246 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.440 0.312 -6.205 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.212 -1.557 -4.806 1.00 0.00 C ATOM 0 H ILE A 61 63.490 2.707 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 61 64.136 1.988 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 61 63.349 0.723 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.077 -0.840 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.659 -0.033 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.267 -0.652 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.550 1.082 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.350 0.262 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.101 -2.343 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.231 -1.152 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.671 -1.971 -5.704 1.00 0.00 H new ATOM 954 N ASP A 62 66.437 3.024 -5.623 1.00 0.00 N ATOM 955 CA ASP A 62 67.882 3.426 -5.659 1.00 0.00 C ATOM 956 C ASP A 62 68.228 4.363 -4.492 1.00 0.00 C ATOM 957 O ASP A 62 69.216 4.173 -3.809 1.00 0.00 O ATOM 958 CB ASP A 62 68.061 4.151 -6.997 1.00 0.00 C ATOM 959 CG ASP A 62 68.484 3.154 -8.080 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.527 2.541 -7.920 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.762 3.025 -9.054 1.00 0.00 O ATOM 0 H ASP A 62 65.904 3.260 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 62 68.540 2.562 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.129 4.638 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.813 4.934 -6.898 1.00 0.00 H new ATOM 966 N GLU A 63 67.425 5.373 -4.261 1.00 0.00 N ATOM 967 CA GLU A 63 67.710 6.325 -3.138 1.00 0.00 C ATOM 968 C GLU A 63 67.647 5.604 -1.782 1.00 0.00 C ATOM 969 O GLU A 63 68.404 5.903 -0.876 1.00 0.00 O ATOM 970 CB GLU A 63 66.611 7.390 -3.230 1.00 0.00 C ATOM 971 CG GLU A 63 67.137 8.726 -2.693 1.00 0.00 C ATOM 972 CD GLU A 63 66.698 8.909 -1.238 1.00 0.00 C ATOM 973 OE1 GLU A 63 65.565 9.306 -1.026 1.00 0.00 O ATOM 974 OE2 GLU A 63 67.506 8.653 -0.359 1.00 0.00 O ATOM 0 H GLU A 63 66.585 5.581 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 63 68.708 6.756 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.289 7.505 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.738 7.076 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 63 68.225 8.753 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.760 9.547 -3.302 1.00 0.00 H new ATOM 981 N VAL A 64 66.748 4.661 -1.636 1.00 0.00 N ATOM 982 CA VAL A 64 66.626 3.927 -0.336 1.00 0.00 C ATOM 983 C VAL A 64 67.627 2.759 -0.252 1.00 0.00 C ATOM 984 O VAL A 64 68.070 2.404 0.824 1.00 0.00 O ATOM 985 CB VAL A 64 65.182 3.405 -0.308 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.953 2.576 0.958 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.206 4.586 -0.314 1.00 0.00 C ATOM 0 H VAL A 64 66.093 4.367 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 64 66.849 4.575 0.512 1.00 0.00 H new ATOM 0 HB VAL A 64 65.014 2.783 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.927 2.209 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.641 1.731 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.128 3.197 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.182 4.212 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.382 5.208 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 64 64.358 5.179 -1.216 1.00 0.00 H new ATOM 997 N ASP A 65 67.980 2.153 -1.362 1.00 0.00 N ATOM 998 CA ASP A 65 68.940 1.006 -1.308 1.00 0.00 C ATOM 999 C ASP A 65 70.038 1.132 -2.374 1.00 0.00 C ATOM 1000 O ASP A 65 69.783 1.464 -3.516 1.00 0.00 O ATOM 1001 CB ASP A 65 68.091 -0.243 -1.573 1.00 0.00 C ATOM 1002 CG ASP A 65 69.000 -1.475 -1.664 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.837 -1.637 -0.792 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.841 -2.239 -2.601 1.00 0.00 O ATOM 0 H ASP A 65 67.648 2.401 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 65 69.451 0.970 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.362 -0.375 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 65 67.530 -0.123 -2.500 1.00 0.00 H new ATOM 1009 N GLU A 66 71.256 0.835 -1.997 1.00 0.00 N ATOM 1010 CA GLU A 66 72.397 0.895 -2.961 1.00 0.00 C ATOM 1011 C GLU A 66 73.437 -0.174 -2.583 1.00 0.00 C ATOM 1012 O GLU A 66 74.626 0.081 -2.540 1.00 0.00 O ATOM 1013 CB GLU A 66 72.974 2.308 -2.816 1.00 0.00 C ATOM 1014 CG GLU A 66 73.086 2.960 -4.200 1.00 0.00 C ATOM 1015 CD GLU A 66 74.230 2.315 -4.986 1.00 0.00 C ATOM 1016 OE1 GLU A 66 75.347 2.793 -4.870 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.969 1.356 -5.696 1.00 0.00 O ATOM 0 H GLU A 66 71.511 0.550 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 66 72.095 0.700 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.334 2.909 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.955 2.265 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 66 72.148 2.844 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 66 73.263 4.030 -4.095 1.00 0.00 H new ATOM 1024 N ASP A 67 72.983 -1.371 -2.297 1.00 0.00 N ATOM 1025 CA ASP A 67 73.921 -2.472 -1.904 1.00 0.00 C ATOM 1026 C ASP A 67 74.159 -3.457 -3.068 1.00 0.00 C ATOM 1027 O ASP A 67 74.702 -4.529 -2.874 1.00 0.00 O ATOM 1028 CB ASP A 67 73.228 -3.170 -0.717 1.00 0.00 C ATOM 1029 CG ASP A 67 72.016 -3.993 -1.186 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.402 -3.624 -2.173 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.711 -4.979 -0.539 1.00 0.00 O ATOM 0 H ASP A 67 71.998 -1.635 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 67 74.907 -2.090 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.939 -3.822 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.905 -2.424 0.009 1.00 0.00 H new ATOM 1036 N GLY A 68 73.770 -3.103 -4.273 1.00 0.00 N ATOM 1037 CA GLY A 68 73.993 -4.022 -5.432 1.00 0.00 C ATOM 1038 C GLY A 68 72.667 -4.637 -5.892 1.00 0.00 C ATOM 1039 O GLY A 68 72.338 -4.600 -7.061 1.00 0.00 O ATOM 0 H GLY A 68 73.310 -2.221 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.451 -3.474 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.688 -4.812 -5.149 1.00 0.00 H new ATOM 1043 N SER A 69 71.908 -5.213 -4.989 1.00 0.00 N ATOM 1044 CA SER A 69 70.606 -5.841 -5.394 1.00 0.00 C ATOM 1045 C SER A 69 69.631 -4.782 -5.931 1.00 0.00 C ATOM 1046 O SER A 69 69.131 -4.904 -7.033 1.00 0.00 O ATOM 1047 CB SER A 69 70.046 -6.517 -4.133 1.00 0.00 C ATOM 1048 OG SER A 69 69.828 -5.549 -3.111 1.00 0.00 O ATOM 0 H SER A 69 72.130 -5.276 -3.996 1.00 0.00 H new ATOM 0 HA SER A 69 70.749 -6.564 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 69 69.111 -7.025 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 69 70.742 -7.278 -3.780 1.00 0.00 H new ATOM 0 HG SER A 69 70.646 -5.028 -2.974 1.00 0.00 H new ATOM 1054 N GLY A 70 69.342 -3.756 -5.165 1.00 0.00 N ATOM 1055 CA GLY A 70 68.386 -2.709 -5.639 1.00 0.00 C ATOM 1056 C GLY A 70 66.977 -3.119 -5.217 1.00 0.00 C ATOM 1057 O GLY A 70 66.011 -2.890 -5.918 1.00 0.00 O ATOM 0 H GLY A 70 69.727 -3.600 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.643 -1.739 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.443 -2.606 -6.723 1.00 0.00 H new ATOM 1061 N THR A 71 66.871 -3.740 -4.073 1.00 0.00 N ATOM 1062 CA THR A 71 65.550 -4.202 -3.565 1.00 0.00 C ATOM 1063 C THR A 71 65.372 -3.757 -2.113 1.00 0.00 C ATOM 1064 O THR A 71 66.317 -3.749 -1.345 1.00 0.00 O ATOM 1065 CB THR A 71 65.614 -5.729 -3.652 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.906 -6.180 -3.257 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.332 -6.177 -5.087 1.00 0.00 C ATOM 0 H THR A 71 67.659 -3.949 -3.460 1.00 0.00 H new ATOM 0 HA THR A 71 64.714 -3.794 -4.133 1.00 0.00 H new ATOM 0 HB THR A 71 64.864 -6.156 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.942 -7.158 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 71 65.379 -7.264 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.339 -5.840 -5.385 1.00 0.00 H new ATOM 0 HG23 THR A 71 66.077 -5.746 -5.756 1.00 0.00 H new ATOM 1075 N VAL A 72 64.176 -3.387 -1.731 1.00 0.00 N ATOM 1076 CA VAL A 72 63.945 -2.936 -0.323 1.00 0.00 C ATOM 1077 C VAL A 72 63.921 -4.139 0.633 1.00 0.00 C ATOM 1078 O VAL A 72 62.977 -4.909 0.657 1.00 0.00 O ATOM 1079 CB VAL A 72 62.583 -2.227 -0.336 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.234 -1.768 1.080 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.641 -1.006 -1.258 1.00 0.00 C ATOM 0 H VAL A 72 63.351 -3.377 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 72 64.739 -2.275 0.024 1.00 0.00 H new ATOM 0 HB VAL A 72 61.824 -2.920 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.267 -1.265 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.187 -2.633 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.999 -1.079 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.672 -0.507 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.403 -0.314 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 72 62.890 -1.326 -2.270 1.00 0.00 H new ATOM 1091 N ASP A 73 64.953 -4.299 1.424 1.00 0.00 N ATOM 1092 CA ASP A 73 65.000 -5.442 2.390 1.00 0.00 C ATOM 1093 C ASP A 73 64.069 -5.169 3.583 1.00 0.00 C ATOM 1094 O ASP A 73 63.362 -4.180 3.610 1.00 0.00 O ATOM 1095 CB ASP A 73 66.462 -5.516 2.846 1.00 0.00 C ATOM 1096 CG ASP A 73 67.276 -6.322 1.833 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.581 -5.782 0.781 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.585 -7.463 2.127 1.00 0.00 O ATOM 0 H ASP A 73 65.768 -3.686 1.443 1.00 0.00 H new ATOM 0 HA ASP A 73 64.668 -6.378 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.875 -4.512 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.523 -5.982 3.830 1.00 0.00 H new ATOM 1103 N PHE A 74 64.065 -6.035 4.570 1.00 0.00 N ATOM 1104 CA PHE A 74 63.178 -5.819 5.759 1.00 0.00 C ATOM 1105 C PHE A 74 63.621 -4.561 6.515 1.00 0.00 C ATOM 1106 O PHE A 74 62.859 -3.626 6.681 1.00 0.00 O ATOM 1107 CB PHE A 74 63.345 -7.077 6.625 1.00 0.00 C ATOM 1108 CG PHE A 74 62.668 -6.877 7.961 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.287 -6.654 8.022 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.424 -6.914 9.139 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.664 -6.469 9.260 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.800 -6.729 10.376 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.420 -6.506 10.437 1.00 0.00 C ATOM 0 H PHE A 74 64.636 -6.880 4.604 1.00 0.00 H new ATOM 0 HA PHE A 74 62.135 -5.669 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.915 -7.939 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.404 -7.289 6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.704 -6.625 7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.489 -7.085 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.599 -6.297 9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.383 -6.758 11.285 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.938 -6.362 11.393 1.00 0.00 H new ATOM 1123 N ASP A 75 64.852 -4.527 6.955 1.00 0.00 N ATOM 1124 CA ASP A 75 65.363 -3.327 7.685 1.00 0.00 C ATOM 1125 C ASP A 75 65.407 -2.119 6.737 1.00 0.00 C ATOM 1126 O ASP A 75 65.152 -0.998 7.137 1.00 0.00 O ATOM 1127 CB ASP A 75 66.767 -3.722 8.146 1.00 0.00 C ATOM 1128 CG ASP A 75 66.696 -4.262 9.577 1.00 0.00 C ATOM 1129 OD1 ASP A 75 66.314 -5.409 9.738 1.00 0.00 O ATOM 1130 OD2 ASP A 75 67.019 -3.517 10.487 1.00 0.00 O ATOM 0 H ASP A 75 65.529 -5.282 6.840 1.00 0.00 H new ATOM 0 HA ASP A 75 64.731 -3.040 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.182 -4.478 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.432 -2.860 8.103 1.00 0.00 H new ATOM 1135 N GLU A 76 65.705 -2.346 5.479 1.00 0.00 N ATOM 1136 CA GLU A 76 65.738 -1.220 4.493 1.00 0.00 C ATOM 1137 C GLU A 76 64.332 -0.615 4.358 1.00 0.00 C ATOM 1138 O GLU A 76 64.169 0.588 4.280 1.00 0.00 O ATOM 1139 CB GLU A 76 66.175 -1.858 3.172 1.00 0.00 C ATOM 1140 CG GLU A 76 67.702 -1.793 3.036 1.00 0.00 C ATOM 1141 CD GLU A 76 68.153 -2.608 1.817 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.461 -2.577 0.814 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.185 -3.253 1.903 1.00 0.00 O ATOM 0 H GLU A 76 65.927 -3.264 5.093 1.00 0.00 H new ATOM 0 HA GLU A 76 66.412 -0.418 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.842 -2.895 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.705 -1.340 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.023 -0.757 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.173 -2.182 3.939 1.00 0.00 H new ATOM 1150 N PHE A 77 63.317 -1.451 4.339 1.00 0.00 N ATOM 1151 CA PHE A 77 61.910 -0.949 4.222 1.00 0.00 C ATOM 1152 C PHE A 77 61.593 0.038 5.358 1.00 0.00 C ATOM 1153 O PHE A 77 60.947 1.046 5.143 1.00 0.00 O ATOM 1154 CB PHE A 77 61.033 -2.203 4.334 1.00 0.00 C ATOM 1155 CG PHE A 77 59.588 -1.853 4.059 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.196 -1.441 2.780 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.640 -1.945 5.085 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.857 -1.120 2.527 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.300 -1.624 4.833 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.909 -1.212 3.553 1.00 0.00 C ATOM 0 H PHE A 77 63.405 -2.465 4.400 1.00 0.00 H new ATOM 0 HA PHE A 77 61.741 -0.413 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.373 -2.959 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.127 -2.634 5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.927 -1.371 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.942 -2.264 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.555 -0.801 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.569 -1.694 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.876 -0.965 3.357 1.00 0.00 H new ATOM 1170 N LEU A 78 62.046 -0.244 6.561 1.00 0.00 N ATOM 1171 CA LEU A 78 61.775 0.680 7.714 1.00 0.00 C ATOM 1172 C LEU A 78 62.264 2.102 7.395 1.00 0.00 C ATOM 1173 O LEU A 78 61.603 3.073 7.708 1.00 0.00 O ATOM 1174 CB LEU A 78 62.557 0.102 8.901 1.00 0.00 C ATOM 1175 CG LEU A 78 61.864 -1.161 9.416 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.868 -2.010 10.195 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.709 -0.773 10.340 1.00 0.00 C ATOM 0 H LEU A 78 62.591 -1.074 6.794 1.00 0.00 H new ATOM 0 HA LEU A 78 60.708 0.751 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.577 -0.131 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.623 0.842 9.699 1.00 0.00 H new ATOM 0 HG LEU A 78 61.478 -1.731 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.375 -2.910 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.693 -2.290 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.252 -1.437 11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.217 -1.674 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.095 -0.202 11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.991 -0.165 9.789 1.00 0.00 H new ATOM 1189 N VAL A 79 63.410 2.226 6.767 1.00 0.00 N ATOM 1190 CA VAL A 79 63.942 3.585 6.414 1.00 0.00 C ATOM 1191 C VAL A 79 62.981 4.291 5.443 1.00 0.00 C ATOM 1192 O VAL A 79 62.807 5.493 5.494 1.00 0.00 O ATOM 1193 CB VAL A 79 65.301 3.327 5.746 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.856 4.632 5.170 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.289 2.775 6.781 1.00 0.00 C ATOM 0 H VAL A 79 64.001 1.445 6.483 1.00 0.00 H new ATOM 0 HA VAL A 79 64.041 4.230 7.287 1.00 0.00 H new ATOM 0 HB VAL A 79 65.167 2.603 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.820 4.441 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.161 5.027 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.983 5.359 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.252 2.593 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.414 3.499 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.904 1.840 7.189 1.00 0.00 H new ATOM 1205 N MET A 80 62.354 3.549 4.566 1.00 0.00 N ATOM 1206 CA MET A 80 61.398 4.167 3.599 1.00 0.00 C ATOM 1207 C MET A 80 60.097 4.564 4.315 1.00 0.00 C ATOM 1208 O MET A 80 59.484 5.561 3.987 1.00 0.00 O ATOM 1209 CB MET A 80 61.131 3.073 2.561 1.00 0.00 C ATOM 1210 CG MET A 80 60.490 3.688 1.314 1.00 0.00 C ATOM 1211 SD MET A 80 60.922 2.696 -0.137 1.00 0.00 S ATOM 1212 CE MET A 80 59.978 1.217 0.304 1.00 0.00 C ATOM 0 H MET A 80 62.464 2.539 4.478 1.00 0.00 H new ATOM 0 HA MET A 80 61.795 5.075 3.145 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.064 2.576 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.474 2.312 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.407 3.729 1.431 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.835 4.714 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.928 0.548 -0.555 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.468 0.707 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.969 1.504 0.600 1.00 0.00 H new ATOM 1222 N MET A 81 59.673 3.788 5.286 1.00 0.00 N ATOM 1223 CA MET A 81 58.408 4.117 6.019 1.00 0.00 C ATOM 1224 C MET A 81 58.571 5.414 6.831 1.00 0.00 C ATOM 1225 O MET A 81 57.721 6.284 6.791 1.00 0.00 O ATOM 1226 CB MET A 81 58.147 2.925 6.952 1.00 0.00 C ATOM 1227 CG MET A 81 57.992 1.626 6.142 1.00 0.00 C ATOM 1228 SD MET A 81 57.345 1.983 4.487 1.00 0.00 S ATOM 1229 CE MET A 81 55.590 1.991 4.920 1.00 0.00 C ATOM 0 H MET A 81 60.148 2.942 5.602 1.00 0.00 H new ATOM 0 HA MET A 81 57.578 4.280 5.332 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.970 2.823 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.245 3.105 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.956 1.124 6.061 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.320 0.944 6.662 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.031 2.543 4.165 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.222 0.966 4.966 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.457 2.468 5.891 1.00 0.00 H new ATOM 1239 N VAL A 82 59.652 5.554 7.564 1.00 0.00 N ATOM 1240 CA VAL A 82 59.855 6.806 8.372 1.00 0.00 C ATOM 1241 C VAL A 82 59.956 8.031 7.448 1.00 0.00 C ATOM 1242 O VAL A 82 59.529 9.114 7.801 1.00 0.00 O ATOM 1243 CB VAL A 82 61.160 6.610 9.162 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.033 5.390 10.076 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.338 6.404 8.204 1.00 0.00 C ATOM 0 H VAL A 82 60.398 4.863 7.639 1.00 0.00 H new ATOM 0 HA VAL A 82 59.016 6.982 9.045 1.00 0.00 H new ATOM 0 HB VAL A 82 61.340 7.502 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 82 61.960 5.255 10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 82 60.209 5.542 10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 82 60.840 4.503 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.254 6.267 8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.158 5.521 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.441 7.278 7.560 1.00 0.00 H new ATOM 1255 N ARG A 83 60.500 7.863 6.264 1.00 0.00 N ATOM 1256 CA ARG A 83 60.607 9.016 5.315 1.00 0.00 C ATOM 1257 C ARG A 83 59.206 9.451 4.864 1.00 0.00 C ATOM 1258 O ARG A 83 58.946 10.622 4.664 1.00 0.00 O ATOM 1259 CB ARG A 83 61.422 8.487 4.131 1.00 0.00 C ATOM 1260 CG ARG A 83 62.911 8.550 4.474 1.00 0.00 C ATOM 1261 CD ARG A 83 63.741 8.304 3.213 1.00 0.00 C ATOM 1262 NE ARG A 83 65.133 8.695 3.587 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.039 8.850 2.665 1.00 0.00 C ATOM 1264 NH1 ARG A 83 65.979 9.870 1.859 1.00 0.00 N ATOM 1265 NH2 ARG A 83 67.007 7.988 2.550 1.00 0.00 N ATOM 0 H ARG A 83 60.873 6.980 5.916 1.00 0.00 H new ATOM 0 HA ARG A 83 61.080 9.887 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.132 7.461 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.217 9.080 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.156 9.524 4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.152 7.803 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.693 7.259 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.375 8.899 2.377 1.00 0.00 H new ATOM 0 HE ARG A 83 65.374 8.841 4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.222 10.548 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.689 9.992 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 83 67.057 7.189 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.716 8.111 1.827 1.00 0.00 H new ATOM 1279 N CYS A 84 58.299 8.514 4.724 1.00 0.00 N ATOM 1280 CA CYS A 84 56.904 8.863 4.311 1.00 0.00 C ATOM 1281 C CYS A 84 56.131 9.439 5.507 1.00 0.00 C ATOM 1282 O CYS A 84 55.230 10.242 5.346 1.00 0.00 O ATOM 1283 CB CYS A 84 56.281 7.540 3.857 1.00 0.00 C ATOM 1284 SG CYS A 84 57.026 7.028 2.289 1.00 0.00 S ATOM 0 H CYS A 84 58.466 7.520 4.879 1.00 0.00 H new ATOM 0 HA CYS A 84 56.881 9.615 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.439 6.772 4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.203 7.655 3.739 1.00 0.00 H new ATOM 0 HG CYS A 84 58.106 6.344 2.525 1.00 0.00 H new ATOM 1290 N MET A 85 56.483 9.031 6.705 1.00 0.00 N ATOM 1291 CA MET A 85 55.781 9.548 7.922 1.00 0.00 C ATOM 1292 C MET A 85 56.252 10.974 8.259 1.00 0.00 C ATOM 1293 O MET A 85 55.491 11.773 8.767 1.00 0.00 O ATOM 1294 CB MET A 85 56.163 8.575 9.043 1.00 0.00 C ATOM 1295 CG MET A 85 55.322 7.300 8.929 1.00 0.00 C ATOM 1296 SD MET A 85 55.341 6.422 10.513 1.00 0.00 S ATOM 1297 CE MET A 85 56.876 5.502 10.243 1.00 0.00 C ATOM 0 H MET A 85 57.229 8.360 6.891 1.00 0.00 H new ATOM 0 HA MET A 85 54.702 9.605 7.777 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.223 8.330 8.979 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.002 9.043 10.014 1.00 0.00 H new ATOM 0 HG2 MET A 85 54.298 7.550 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.718 6.659 8.141 1.00 0.00 H new ATOM 0 HE1 MET A 85 56.790 4.512 10.690 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.057 5.403 9.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.707 6.037 10.703 1.00 0.00 H new ATOM 1307 N LYS A 86 57.501 11.291 7.980 1.00 0.00 N ATOM 1308 CA LYS A 86 58.041 12.662 8.278 1.00 0.00 C ATOM 1309 C LYS A 86 57.945 12.971 9.783 1.00 0.00 C ATOM 1310 O LYS A 86 57.096 13.722 10.226 1.00 0.00 O ATOM 1311 CB LYS A 86 57.176 13.632 7.458 1.00 0.00 C ATOM 1312 CG LYS A 86 58.074 14.612 6.698 1.00 0.00 C ATOM 1313 CD LYS A 86 58.699 15.607 7.680 1.00 0.00 C ATOM 1314 CE LYS A 86 59.466 16.685 6.905 1.00 0.00 C ATOM 1315 NZ LYS A 86 59.869 17.691 7.931 1.00 0.00 N ATOM 0 H LYS A 86 58.173 10.652 7.555 1.00 0.00 H new ATOM 0 HA LYS A 86 59.095 12.748 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.554 13.075 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 86 56.502 14.179 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 86 58.857 14.068 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 86 57.492 15.145 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 86 57.922 16.068 8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 86 59.372 15.086 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 86 60.337 16.264 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 86 58.841 17.137 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 59.587 18.641 7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 59.401 17.473 8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 60.901 17.661 8.060 1.00 0.00 H new ATOM 1329 N ASP A 87 58.819 12.393 10.569 1.00 0.00 N ATOM 1330 CA ASP A 87 58.794 12.642 12.048 1.00 0.00 C ATOM 1331 C ASP A 87 59.398 14.019 12.390 1.00 0.00 C ATOM 1332 O ASP A 87 59.065 14.611 13.400 1.00 0.00 O ATOM 1333 CB ASP A 87 59.633 11.509 12.662 1.00 0.00 C ATOM 1334 CG ASP A 87 61.073 11.572 12.141 1.00 0.00 C ATOM 1335 OD1 ASP A 87 61.317 11.044 11.070 1.00 0.00 O ATOM 1336 OD2 ASP A 87 61.904 12.147 12.824 1.00 0.00 O ATOM 0 H ASP A 87 59.551 11.758 10.252 1.00 0.00 H new ATOM 0 HA ASP A 87 57.776 12.652 12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 87 59.628 11.592 13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 87 59.191 10.544 12.414 1.00 0.00 H new ATOM 1341 N ASP A 88 60.280 14.532 11.564 1.00 0.00 N ATOM 1342 CA ASP A 88 60.896 15.865 11.854 1.00 0.00 C ATOM 1343 C ASP A 88 60.009 17.003 11.318 1.00 0.00 C ATOM 1344 O ASP A 88 59.130 16.789 10.503 1.00 0.00 O ATOM 1345 CB ASP A 88 62.262 15.848 11.147 1.00 0.00 C ATOM 1346 CG ASP A 88 62.076 15.824 9.628 1.00 0.00 C ATOM 1347 OD1 ASP A 88 61.681 14.792 9.114 1.00 0.00 O ATOM 1348 OD2 ASP A 88 62.331 16.839 9.003 1.00 0.00 O ATOM 0 H ASP A 88 60.599 14.086 10.704 1.00 0.00 H new ATOM 0 HA ASP A 88 61.003 16.038 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 88 62.839 16.727 11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 88 62.832 14.975 11.464 1.00 0.00 H new ATOM 1353 N SER A 89 60.237 18.206 11.782 1.00 0.00 N ATOM 1354 CA SER A 89 59.414 19.371 11.320 1.00 0.00 C ATOM 1355 C SER A 89 59.882 19.861 9.944 1.00 0.00 C ATOM 1356 O SER A 89 59.028 20.148 9.121 1.00 0.00 O ATOM 1357 CB SER A 89 59.632 20.457 12.376 1.00 0.00 C ATOM 1358 OG SER A 89 59.160 19.989 13.634 1.00 0.00 O ATOM 1359 OXT SER A 89 61.082 19.938 9.733 1.00 0.00 O ATOM 0 H SER A 89 60.960 18.435 12.464 1.00 0.00 H new ATOM 0 HA SER A 89 58.362 19.105 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 89 60.690 20.709 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 89 59.105 21.368 12.092 1.00 0.00 H new ATOM 0 HG SER A 89 59.299 20.681 14.314 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 58.176 14.104 -1.165 1.00 0.00 N ATOM 1367 CA ARG B 144 57.588 15.126 -2.090 1.00 0.00 C ATOM 1368 C ARG B 144 57.268 14.511 -3.465 1.00 0.00 C ATOM 1369 O ARG B 144 56.341 14.930 -4.132 1.00 0.00 O ATOM 1370 CB ARG B 144 58.637 16.250 -2.205 1.00 0.00 C ATOM 1371 CG ARG B 144 59.912 15.757 -2.905 1.00 0.00 C ATOM 1372 CD ARG B 144 61.133 16.117 -2.050 1.00 0.00 C ATOM 1373 NE ARG B 144 62.299 15.501 -2.751 1.00 0.00 N ATOM 1374 CZ ARG B 144 62.425 14.204 -2.809 1.00 0.00 C ATOM 1375 NH1 ARG B 144 62.758 13.531 -1.743 1.00 0.00 N ATOM 1376 NH2 ARG B 144 62.220 13.583 -3.936 1.00 0.00 N ATOM 0 HA ARG B 144 56.643 15.511 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG B 144 58.216 17.088 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG B 144 58.886 16.620 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG B 144 59.864 14.678 -3.055 1.00 0.00 H new ATOM 0 HG3 ARG B 144 59.998 16.212 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG B 144 61.250 17.197 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG B 144 61.032 15.728 -1.037 1.00 0.00 H new ATOM 0 HE ARG B 144 63.001 16.098 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG B 144 62.920 14.019 -0.862 1.00 0.00 H new ATOM 0 HH12 ARG B 144 62.856 12.517 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG B 144 61.962 14.111 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG B 144 62.318 12.569 -3.985 1.00 0.00 H new ATOM 1392 N ARG B 145 58.012 13.517 -3.888 1.00 0.00 N ATOM 1393 CA ARG B 145 57.732 12.880 -5.210 1.00 0.00 C ATOM 1394 C ARG B 145 56.763 11.700 -5.032 1.00 0.00 C ATOM 1395 O ARG B 145 57.162 10.612 -4.665 1.00 0.00 O ATOM 1396 CB ARG B 145 59.097 12.403 -5.715 1.00 0.00 C ATOM 1397 CG ARG B 145 59.076 12.319 -7.244 1.00 0.00 C ATOM 1398 CD ARG B 145 58.797 10.876 -7.675 1.00 0.00 C ATOM 1399 NE ARG B 145 57.508 10.938 -8.423 1.00 0.00 N ATOM 1400 CZ ARG B 145 57.296 10.143 -9.434 1.00 0.00 C ATOM 1401 NH1 ARG B 145 56.897 8.922 -9.227 1.00 0.00 N ATOM 1402 NH2 ARG B 145 57.489 10.568 -10.649 1.00 0.00 N ATOM 0 H ARG B 145 58.799 13.121 -3.375 1.00 0.00 H new ATOM 0 HA ARG B 145 57.261 13.565 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG B 145 59.878 13.090 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG B 145 59.333 11.427 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG B 145 58.310 12.983 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG B 145 60.031 12.652 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG B 145 59.600 10.490 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG B 145 58.721 10.214 -6.812 1.00 0.00 H new ATOM 0 HE ARG B 145 56.789 11.605 -8.142 1.00 0.00 H new ATOM 0 HH11 ARG B 145 56.750 8.588 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG B 145 56.731 8.299 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG B 145 57.806 11.524 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG B 145 57.323 9.945 -11.440 1.00 0.00 H new ATOM 1416 N VAL B 146 55.490 11.928 -5.290 1.00 0.00 N ATOM 1417 CA VAL B 146 54.443 10.854 -5.146 1.00 0.00 C ATOM 1418 C VAL B 146 54.291 10.429 -3.671 1.00 0.00 C ATOM 1419 O VAL B 146 55.248 10.373 -2.923 1.00 0.00 O ATOM 1420 CB VAL B 146 54.906 9.682 -6.037 1.00 0.00 C ATOM 1421 CG1 VAL B 146 54.308 8.360 -5.539 1.00 0.00 C ATOM 1422 CG2 VAL B 146 54.436 9.929 -7.473 1.00 0.00 C ATOM 0 H VAL B 146 55.126 12.829 -5.600 1.00 0.00 H new ATOM 0 HA VAL B 146 53.460 11.207 -5.457 1.00 0.00 H new ATOM 0 HB VAL B 146 55.993 9.618 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.645 7.544 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL B 146 54.634 8.176 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.220 8.419 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL B 146 54.760 9.105 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL B 146 53.348 9.997 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL B 146 54.865 10.861 -7.841 1.00 0.00 H new ATOM 1432 N ARG B 147 53.083 10.138 -3.250 1.00 0.00 N ATOM 1433 CA ARG B 147 52.855 9.723 -1.831 1.00 0.00 C ATOM 1434 C ARG B 147 51.853 8.562 -1.768 1.00 0.00 C ATOM 1435 O ARG B 147 50.766 8.642 -2.309 1.00 0.00 O ATOM 1436 CB ARG B 147 52.277 10.968 -1.149 1.00 0.00 C ATOM 1437 CG ARG B 147 52.873 11.114 0.253 1.00 0.00 C ATOM 1438 CD ARG B 147 52.221 12.306 0.959 1.00 0.00 C ATOM 1439 NE ARG B 147 51.463 11.719 2.105 1.00 0.00 N ATOM 1440 CZ ARG B 147 52.090 11.321 3.180 1.00 0.00 C ATOM 1441 NH1 ARG B 147 52.996 12.082 3.728 1.00 0.00 N ATOM 1442 NH2 ARG B 147 51.795 10.169 3.713 1.00 0.00 N ATOM 0 H ARG B 147 52.244 10.170 -3.830 1.00 0.00 H new ATOM 0 HA ARG B 147 53.769 9.376 -1.349 1.00 0.00 H new ATOM 0 HB2 ARG B 147 52.498 11.855 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG B 147 51.192 10.889 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG B 147 52.709 10.202 0.827 1.00 0.00 H new ATOM 0 HG3 ARG B 147 53.951 11.260 0.189 1.00 0.00 H new ATOM 0 HD2 ARG B 147 52.972 13.016 1.306 1.00 0.00 H new ATOM 0 HD3 ARG B 147 51.558 12.848 0.285 1.00 0.00 H new ATOM 0 HE ARG B 147 50.449 11.628 2.048 1.00 0.00 H new ATOM 0 HH11 ARG B 147 53.216 12.989 3.317 1.00 0.00 H new ATOM 0 HH12 ARG B 147 53.485 11.770 4.567 1.00 0.00 H new ATOM 0 HH21 ARG B 147 51.076 9.581 3.291 1.00 0.00 H new ATOM 0 HH22 ARG B 147 52.283 9.855 4.552 1.00 0.00 H new ATOM 1456 N ILE B 148 52.211 7.485 -1.113 1.00 0.00 N ATOM 1457 CA ILE B 148 51.276 6.315 -1.017 1.00 0.00 C ATOM 1458 C ILE B 148 50.702 6.174 0.407 1.00 0.00 C ATOM 1459 O ILE B 148 49.612 5.664 0.585 1.00 0.00 O ATOM 1460 CB ILE B 148 52.121 5.089 -1.409 1.00 0.00 C ATOM 1461 CG1 ILE B 148 51.192 3.957 -1.858 1.00 0.00 C ATOM 1462 CG2 ILE B 148 52.965 4.608 -0.221 1.00 0.00 C ATOM 1463 CD1 ILE B 148 51.644 3.429 -3.221 1.00 0.00 C ATOM 0 H ILE B 148 53.107 7.363 -0.641 1.00 0.00 H new ATOM 0 HA ILE B 148 50.412 6.432 -1.671 1.00 0.00 H new ATOM 0 HB ILE B 148 52.790 5.372 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE B 148 51.203 3.152 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE B 148 50.166 4.319 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE B 148 53.554 3.741 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.633 5.408 0.098 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.308 4.333 0.604 1.00 0.00 H new ATOM 0 HD11 ILE B 148 50.981 2.624 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE B 148 51.610 4.236 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE B 148 52.663 3.051 -3.145 1.00 0.00 H new ATOM 1475 N SER B 149 51.429 6.625 1.414 1.00 0.00 N ATOM 1476 CA SER B 149 50.947 6.532 2.837 1.00 0.00 C ATOM 1477 C SER B 149 50.813 5.066 3.283 1.00 0.00 C ATOM 1478 O SER B 149 49.940 4.346 2.839 1.00 0.00 O ATOM 1479 CB SER B 149 49.588 7.243 2.867 1.00 0.00 C ATOM 1480 OG SER B 149 49.615 8.256 3.865 1.00 0.00 O ATOM 0 H SER B 149 52.346 7.058 1.306 1.00 0.00 H new ATOM 0 HA SER B 149 51.654 6.995 3.525 1.00 0.00 H new ATOM 0 HB2 SER B 149 49.371 7.681 1.893 1.00 0.00 H new ATOM 0 HB3 SER B 149 48.794 6.527 3.079 1.00 0.00 H new ATOM 0 HG SER B 149 49.481 7.850 4.747 1.00 0.00 H new ATOM 1486 N ALA B 150 51.680 4.626 4.164 1.00 0.00 N ATOM 1487 CA ALA B 150 51.624 3.209 4.657 1.00 0.00 C ATOM 1488 C ALA B 150 50.236 2.885 5.232 1.00 0.00 C ATOM 1489 O ALA B 150 49.689 1.828 4.983 1.00 0.00 O ATOM 1490 CB ALA B 150 52.691 3.128 5.753 1.00 0.00 C ATOM 0 H ALA B 150 52.429 5.190 4.566 1.00 0.00 H new ATOM 0 HA ALA B 150 51.802 2.493 3.855 1.00 0.00 H new ATOM 0 HB1 ALA B 150 52.713 2.119 6.166 1.00 0.00 H new ATOM 0 HB2 ALA B 150 53.666 3.368 5.330 1.00 0.00 H new ATOM 0 HB3 ALA B 150 52.454 3.839 6.545 1.00 0.00 H new ATOM 1496 N ASP B 151 49.669 3.790 5.994 1.00 0.00 N ATOM 1497 CA ASP B 151 48.311 3.549 6.588 1.00 0.00 C ATOM 1498 C ASP B 151 47.294 3.180 5.492 1.00 0.00 C ATOM 1499 O ASP B 151 46.456 2.317 5.683 1.00 0.00 O ATOM 1500 CB ASP B 151 47.925 4.872 7.274 1.00 0.00 C ATOM 1501 CG ASP B 151 48.082 6.048 6.301 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.189 6.549 6.181 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.096 6.427 5.694 1.00 0.00 O ATOM 0 H ASP B 151 50.088 4.689 6.232 1.00 0.00 H new ATOM 0 HA ASP B 151 48.318 2.718 7.293 1.00 0.00 H new ATOM 0 HB2 ASP B 151 46.895 4.819 7.626 1.00 0.00 H new ATOM 0 HB3 ASP B 151 48.554 5.031 8.150 1.00 0.00 H new ATOM 1508 N ALA B 152 47.369 3.817 4.349 1.00 0.00 N ATOM 1509 CA ALA B 152 46.418 3.500 3.239 1.00 0.00 C ATOM 1510 C ALA B 152 46.958 2.341 2.389 1.00 0.00 C ATOM 1511 O ALA B 152 46.217 1.469 1.972 1.00 0.00 O ATOM 1512 CB ALA B 152 46.334 4.784 2.410 1.00 0.00 C ATOM 0 H ALA B 152 48.051 4.545 4.137 1.00 0.00 H new ATOM 0 HA ALA B 152 45.441 3.190 3.609 1.00 0.00 H new ATOM 0 HB1 ALA B 152 45.653 4.633 1.573 1.00 0.00 H new ATOM 0 HB2 ALA B 152 45.965 5.597 3.035 1.00 0.00 H new ATOM 0 HB3 ALA B 152 47.324 5.038 2.031 1.00 0.00 H new ATOM 1518 N MET B 153 48.245 2.327 2.133 1.00 0.00 N ATOM 1519 CA MET B 153 48.851 1.229 1.313 1.00 0.00 C ATOM 1520 C MET B 153 48.623 -0.135 1.982 1.00 0.00 C ATOM 1521 O MET B 153 48.254 -1.096 1.334 1.00 0.00 O ATOM 1522 CB MET B 153 50.345 1.565 1.257 1.00 0.00 C ATOM 1523 CG MET B 153 51.030 0.715 0.185 1.00 0.00 C ATOM 1524 SD MET B 153 52.799 1.102 0.159 1.00 0.00 S ATOM 1525 CE MET B 153 53.050 0.940 -1.627 1.00 0.00 C ATOM 0 H MET B 153 48.905 3.033 2.459 1.00 0.00 H new ATOM 0 HA MET B 153 48.408 1.162 0.319 1.00 0.00 H new ATOM 0 HB2 MET B 153 50.481 2.624 1.036 1.00 0.00 H new ATOM 0 HB3 MET B 153 50.805 1.381 2.228 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.880 -0.344 0.393 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.588 0.914 -0.791 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.748 1.705 -1.967 1.00 0.00 H new ATOM 0 HE2 MET B 153 53.456 -0.047 -1.849 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.097 1.064 -2.141 1.00 0.00 H new ATOM 1535 N MET B 154 48.837 -0.221 3.273 1.00 0.00 N ATOM 1536 CA MET B 154 48.630 -1.518 3.992 1.00 0.00 C ATOM 1537 C MET B 154 47.161 -1.953 3.900 1.00 0.00 C ATOM 1538 O MET B 154 46.865 -3.105 3.656 1.00 0.00 O ATOM 1539 CB MET B 154 49.019 -1.233 5.446 1.00 0.00 C ATOM 1540 CG MET B 154 49.292 -2.550 6.174 1.00 0.00 C ATOM 1541 SD MET B 154 49.851 -2.204 7.860 1.00 0.00 S ATOM 1542 CE MET B 154 49.679 -3.886 8.501 1.00 0.00 C ATOM 0 H MET B 154 49.147 0.553 3.861 1.00 0.00 H new ATOM 0 HA MET B 154 49.223 -2.325 3.563 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.905 -0.598 5.478 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.218 -0.689 5.947 1.00 0.00 H new ATOM 0 HG2 MET B 154 48.388 -3.159 6.197 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.049 -3.123 5.639 1.00 0.00 H new ATOM 0 HE1 MET B 154 50.059 -3.927 9.522 1.00 0.00 H new ATOM 0 HE2 MET B 154 48.627 -4.172 8.494 1.00 0.00 H new ATOM 0 HE3 MET B 154 50.247 -4.574 7.874 1.00 0.00 H new ATOM 1552 N GLN B 155 46.244 -1.035 4.090 1.00 0.00 N ATOM 1553 CA GLN B 155 44.789 -1.387 4.010 1.00 0.00 C ATOM 1554 C GLN B 155 44.414 -1.812 2.583 1.00 0.00 C ATOM 1555 O GLN B 155 43.699 -2.775 2.388 1.00 0.00 O ATOM 1556 CB GLN B 155 44.043 -0.107 4.407 1.00 0.00 C ATOM 1557 CG GLN B 155 42.963 -0.439 5.443 1.00 0.00 C ATOM 1558 CD GLN B 155 43.619 -0.982 6.715 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.526 -2.157 7.004 1.00 0.00 O ATOM 1560 NE2 GLN B 155 44.288 -0.175 7.491 1.00 0.00 N ATOM 0 H GLN B 155 46.440 -0.056 4.297 1.00 0.00 H new ATOM 0 HA GLN B 155 44.536 -2.223 4.661 1.00 0.00 H new ATOM 0 HB2 GLN B 155 44.743 0.621 4.817 1.00 0.00 H new ATOM 0 HB3 GLN B 155 43.589 0.349 3.527 1.00 0.00 H new ATOM 0 HG2 GLN B 155 42.381 0.453 5.675 1.00 0.00 H new ATOM 0 HG3 GLN B 155 42.270 -1.175 5.037 1.00 0.00 H new ATOM 0 HE21 GLN B 155 44.368 0.813 7.251 1.00 0.00 H new ATOM 0 HE22 GLN B 155 44.731 -0.532 8.338 1.00 0.00 H new ATOM 1569 N ALA B 156 44.893 -1.105 1.587 1.00 0.00 N ATOM 1570 CA ALA B 156 44.565 -1.474 0.172 1.00 0.00 C ATOM 1571 C ALA B 156 45.129 -2.862 -0.169 1.00 0.00 C ATOM 1572 O ALA B 156 44.531 -3.617 -0.913 1.00 0.00 O ATOM 1573 CB ALA B 156 45.229 -0.394 -0.689 1.00 0.00 C ATOM 0 H ALA B 156 45.496 -0.289 1.692 1.00 0.00 H new ATOM 0 HA ALA B 156 43.489 -1.524 0.003 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.033 -0.596 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA B 156 44.823 0.582 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA B 156 46.305 -0.399 -0.513 1.00 0.00 H new ATOM 1579 N LEU B 157 46.272 -3.204 0.373 1.00 0.00 N ATOM 1580 CA LEU B 157 46.874 -4.542 0.085 1.00 0.00 C ATOM 1581 C LEU B 157 46.222 -5.628 0.957 1.00 0.00 C ATOM 1582 O LEU B 157 45.808 -6.662 0.461 1.00 0.00 O ATOM 1583 CB LEU B 157 48.359 -4.386 0.425 1.00 0.00 C ATOM 1584 CG LEU B 157 49.130 -5.628 -0.024 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.210 -5.663 -1.553 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.543 -5.575 0.558 1.00 0.00 C ATOM 0 H LEU B 157 46.814 -2.613 1.003 1.00 0.00 H new ATOM 0 HA LEU B 157 46.723 -4.848 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU B 157 48.762 -3.500 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU B 157 48.482 -4.240 1.498 1.00 0.00 H new ATOM 0 HG LEU B 157 48.617 -6.523 0.328 1.00 0.00 H new ATOM 0 HD11 LEU B 157 49.760 -6.550 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU B 157 48.203 -5.694 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU B 157 49.724 -4.771 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.100 -6.457 0.243 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.050 -4.679 0.201 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.488 -5.551 1.646 1.00 0.00 H new ATOM 1598 N LEU B 158 46.123 -5.403 2.247 1.00 0.00 N ATOM 1599 CA LEU B 158 45.493 -6.424 3.146 1.00 0.00 C ATOM 1600 C LEU B 158 43.979 -6.470 2.910 1.00 0.00 C ATOM 1601 O LEU B 158 43.250 -5.580 3.307 1.00 0.00 O ATOM 1602 CB LEU B 158 45.804 -5.961 4.574 1.00 0.00 C ATOM 1603 CG LEU B 158 47.004 -6.741 5.119 1.00 0.00 C ATOM 1604 CD1 LEU B 158 47.934 -5.788 5.873 1.00 0.00 C ATOM 1605 CD2 LEU B 158 46.510 -7.830 6.073 1.00 0.00 C ATOM 0 H LEU B 158 46.451 -4.558 2.715 1.00 0.00 H new ATOM 0 HA LEU B 158 45.877 -7.427 2.959 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.019 -4.892 4.582 1.00 0.00 H new ATOM 0 HB3 LEU B 158 44.936 -6.116 5.214 1.00 0.00 H new ATOM 0 HG LEU B 158 47.547 -7.198 4.292 1.00 0.00 H new ATOM 0 HD11 LEU B 158 48.788 -6.344 6.261 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.285 -5.010 5.195 1.00 0.00 H new ATOM 0 HD13 LEU B 158 47.393 -5.331 6.701 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.362 -8.387 6.462 1.00 0.00 H new ATOM 0 HD22 LEU B 158 45.968 -7.371 6.900 1.00 0.00 H new ATOM 0 HD23 LEU B 158 45.847 -8.509 5.537 1.00 0.00 H new ATOM 1617 N GLY B 159 43.504 -7.503 2.259 1.00 0.00 N ATOM 1618 CA GLY B 159 42.038 -7.616 1.984 1.00 0.00 C ATOM 1619 C GLY B 159 41.803 -7.849 0.485 1.00 0.00 C ATOM 1620 O GLY B 159 40.874 -8.529 0.097 1.00 0.00 O ATOM 0 H GLY B 159 44.070 -8.275 1.905 1.00 0.00 H new ATOM 0 HA2 GLY B 159 41.614 -8.439 2.559 1.00 0.00 H new ATOM 0 HA3 GLY B 159 41.528 -6.707 2.304 1.00 0.00 H new ATOM 1624 N ALA B 160 42.632 -7.284 -0.361 1.00 0.00 N ATOM 1625 CA ALA B 160 42.450 -7.469 -1.837 1.00 0.00 C ATOM 1626 C ALA B 160 43.573 -8.336 -2.432 1.00 0.00 C ATOM 1627 O ALA B 160 43.354 -9.075 -3.373 1.00 0.00 O ATOM 1628 CB ALA B 160 42.497 -6.055 -2.419 1.00 0.00 C ATOM 0 H ALA B 160 43.427 -6.703 -0.094 1.00 0.00 H new ATOM 0 HA ALA B 160 41.516 -7.982 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA B 160 42.371 -6.102 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA B 160 41.696 -5.456 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA B 160 43.458 -5.597 -2.186 1.00 0.00 H new ATOM 1634 N ARG B 161 44.773 -8.245 -1.905 1.00 0.00 N ATOM 1635 CA ARG B 161 45.905 -9.062 -2.459 1.00 0.00 C ATOM 1636 C ARG B 161 46.434 -10.070 -1.422 1.00 0.00 C ATOM 1637 O ARG B 161 47.091 -11.033 -1.772 1.00 0.00 O ATOM 1638 CB ARG B 161 46.993 -8.042 -2.810 1.00 0.00 C ATOM 1639 CG ARG B 161 47.149 -7.956 -4.332 1.00 0.00 C ATOM 1640 CD ARG B 161 46.639 -6.598 -4.827 1.00 0.00 C ATOM 1641 NE ARG B 161 45.154 -6.733 -4.868 1.00 0.00 N ATOM 1642 CZ ARG B 161 44.555 -7.069 -5.975 1.00 0.00 C ATOM 1643 NH1 ARG B 161 44.535 -6.242 -6.981 1.00 0.00 N ATOM 1644 NH2 ARG B 161 43.977 -8.233 -6.076 1.00 0.00 N ATOM 0 H ARG B 161 45.018 -7.643 -1.119 1.00 0.00 H new ATOM 0 HA ARG B 161 45.587 -9.650 -3.320 1.00 0.00 H new ATOM 0 HB2 ARG B 161 46.732 -7.064 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG B 161 47.939 -8.333 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG B 161 48.196 -8.085 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG B 161 46.592 -8.761 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG B 161 46.944 -5.794 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG B 161 47.041 -6.361 -5.812 1.00 0.00 H new ATOM 0 HE ARG B 161 44.605 -6.561 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG B 161 44.988 -5.332 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG B 161 44.066 -6.505 -7.848 1.00 0.00 H new ATOM 0 HH21 ARG B 161 43.994 -8.881 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG B 161 43.508 -8.496 -6.943 1.00 0.00 H new ATOM 1658 N ALA B 162 46.166 -9.856 -0.155 1.00 0.00 N ATOM 1659 CA ALA B 162 46.668 -10.801 0.892 1.00 0.00 C ATOM 1660 C ALA B 162 45.637 -11.906 1.181 1.00 0.00 C ATOM 1661 O ALA B 162 45.956 -13.081 1.152 1.00 0.00 O ATOM 1662 CB ALA B 162 46.896 -9.929 2.130 1.00 0.00 C ATOM 0 H ALA B 162 45.622 -9.069 0.198 1.00 0.00 H new ATOM 0 HA ALA B 162 47.577 -11.313 0.577 1.00 0.00 H new ATOM 0 HB1 ALA B 162 47.266 -10.548 2.948 1.00 0.00 H new ATOM 0 HB2 ALA B 162 47.628 -9.155 1.900 1.00 0.00 H new ATOM 0 HB3 ALA B 162 45.956 -9.463 2.425 1.00 0.00 H new ATOM 1668 N LYS B 163 44.408 -11.543 1.460 1.00 0.00 N ATOM 1669 CA LYS B 163 43.364 -12.577 1.748 1.00 0.00 C ATOM 1670 C LYS B 163 41.977 -12.070 1.337 1.00 0.00 C ATOM 1671 O LYS B 163 41.262 -12.824 0.696 1.00 0.00 O ATOM 1672 CB LYS B 163 43.426 -12.808 3.263 1.00 0.00 C ATOM 1673 CG LYS B 163 42.747 -14.140 3.606 1.00 0.00 C ATOM 1674 CD LYS B 163 43.710 -15.299 3.330 1.00 0.00 C ATOM 1675 CE LYS B 163 43.444 -15.866 1.931 1.00 0.00 C ATOM 1676 NZ LYS B 163 44.795 -16.063 1.330 1.00 0.00 N ATOM 1677 OXT LYS B 163 41.652 -10.942 1.674 1.00 0.00 O ATOM 0 H LYS B 163 44.083 -10.577 1.501 1.00 0.00 H new ATOM 0 HA LYS B 163 43.541 -13.497 1.191 1.00 0.00 H new ATOM 0 HB2 LYS B 163 44.463 -12.820 3.598 1.00 0.00 H new ATOM 0 HB3 LYS B 163 42.931 -11.990 3.787 1.00 0.00 H new ATOM 0 HG2 LYS B 163 42.446 -14.146 4.654 1.00 0.00 H new ATOM 0 HG3 LYS B 163 41.840 -14.260 3.013 1.00 0.00 H new ATOM 0 HD2 LYS B 163 44.741 -14.954 3.403 1.00 0.00 H new ATOM 0 HD3 LYS B 163 43.581 -16.079 4.080 1.00 0.00 H new ATOM 0 HE2 LYS B 163 42.895 -16.806 1.984 1.00 0.00 H new ATOM 0 HE3 LYS B 163 42.843 -15.179 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 44.697 -16.497 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 45.272 -15.143 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 45.359 -16.687 1.942 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.047 -4.216 -0.742 1.00 0.00 CA HETATM 1693 OAA SXK A 91 58.974 11.367 -1.211 1.00 20.00 O HETATM 1694 OAB SXK A 91 60.545 11.584 -2.762 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.027 1.788 -0.024 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.035 6.938 -2.848 1.00 20.00 C HETATM 1697 CAG SXK A 91 58.565 6.934 -0.911 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.755 5.569 -2.632 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.290 5.569 -0.691 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.281 3.161 -0.259 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.423 1.168 -1.936 1.00 20.00 C HETATM 1702 CAL SXK A 91 59.431 9.489 -2.654 1.00 20.00 C HETATM 1703 OAM SXK A 91 58.137 8.943 -2.297 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.665 10.929 -2.166 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.597 0.813 -0.863 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.942 7.619 -1.983 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.682 2.538 -2.179 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.385 4.885 -1.552 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.111 3.527 -1.334 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.342 -0.502 -0.623 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.490 2.862 -3.235 1.00 20.00 F HETATM 0 HOAB SXK A 91 60.944 11.031 -3.465 1.00 20.00 H new HETATM 0 HALA SXK A 91 60.210 8.847 -2.242 1.00 20.00 H new HETATM 0 HAL SXK A 91 59.537 9.463 -3.739 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.860 0.401 -2.575 1.00 20.00 H new HETATM 0 HAJ SXK A 91 55.840 3.923 0.384 1.00 20.00 H new HETATM 0 HAI SXK A 91 58.767 5.040 0.134 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.062 5.041 -3.287 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.257 7.463 -0.256 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.560 7.471 -3.672 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.390 1.486 0.807 1.00 20.00 H new