USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -64:sc= 0.497 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.011 28.096 6.499 1.00 0.00 N ATOM 2 CA MET A 1 -0.873 28.233 5.292 1.00 0.00 C ATOM 3 C MET A 1 -2.369 28.435 5.571 1.00 0.00 C ATOM 4 O MET A 1 -2.796 29.562 5.304 1.00 0.00 O ATOM 5 CB MET A 1 -0.601 27.150 4.238 1.00 0.00 C ATOM 6 CG MET A 1 0.273 27.552 3.057 1.00 0.00 C ATOM 7 SD MET A 1 2.016 27.122 3.223 1.00 0.00 S ATOM 8 CE MET A 1 2.712 28.613 2.518 1.00 0.00 C ATOM 0 H1 MET A 1 0.978 27.964 6.206 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.088 28.955 7.080 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.320 27.273 7.055 1.00 0.00 H new ATOM 0 HA MET A 1 -0.561 29.182 4.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.132 26.301 4.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.559 26.803 3.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.119 27.080 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.191 28.629 2.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.800 28.547 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.365 28.726 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.396 29.475 3.105 1.00 0.00 H new ATOM 18 N ILE A 2 -3.010 27.558 6.360 1.00 0.00 N ATOM 19 CA ILE A 2 -4.417 27.122 6.366 1.00 0.00 C ATOM 20 C ILE A 2 -4.733 26.468 7.726 1.00 0.00 C ATOM 21 O ILE A 2 -3.970 25.630 8.215 1.00 0.00 O ATOM 22 CB ILE A 2 -4.930 26.415 5.074 1.00 0.00 C ATOM 23 CG1 ILE A 2 -6.425 26.740 4.873 1.00 0.00 C ATOM 24 CG2 ILE A 2 -4.408 25.016 4.740 1.00 0.00 C ATOM 25 CD1 ILE A 2 -7.304 26.431 3.671 1.00 0.00 C ATOM 0 H ILE A 2 -2.492 27.080 7.098 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.055 28.003 6.291 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.403 26.856 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.931 26.277 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.500 27.819 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.863 24.670 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.325 25.050 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.663 24.330 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.314 26.798 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.896 26.920 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.333 25.353 3.509 1.00 0.00 H new ATOM 36 N SER A 3 -5.847 26.917 8.326 1.00 0.00 N ATOM 37 CA SER A 3 -6.567 26.435 9.517 1.00 0.00 C ATOM 38 C SER A 3 -7.434 25.165 9.346 1.00 0.00 C ATOM 39 O SER A 3 -8.221 24.834 10.242 1.00 0.00 O ATOM 40 CB SER A 3 -7.145 27.713 10.164 1.00 0.00 C ATOM 41 OG SER A 3 -8.493 28.114 9.967 1.00 0.00 O ATOM 0 H SER A 3 -6.325 27.730 7.938 1.00 0.00 H new ATOM 0 HA SER A 3 -5.918 25.949 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.001 27.613 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.519 28.542 9.834 1.00 0.00 H new ATOM 0 HG SER A 3 -8.663 28.944 10.460 1.00 0.00 H new ATOM 46 N ASP A 4 -6.858 24.253 8.539 1.00 0.00 N ATOM 47 CA ASP A 4 -7.250 22.968 7.919 1.00 0.00 C ATOM 48 C ASP A 4 -6.251 21.816 8.180 1.00 0.00 C ATOM 49 O ASP A 4 -5.154 22.093 8.676 1.00 0.00 O ATOM 50 CB ASP A 4 -7.488 23.351 6.441 1.00 0.00 C ATOM 51 CG ASP A 4 -7.567 22.402 5.251 1.00 0.00 C ATOM 52 OD1 ASP A 4 -6.479 22.101 4.715 1.00 0.00 O ATOM 53 OD2 ASP A 4 -8.593 22.454 4.536 1.00 0.00 O ATOM 0 H ASP A 4 -5.900 24.450 8.248 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.146 22.528 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.427 23.905 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.698 24.060 6.194 1.00 0.00 H new ATOM 57 N GLU A 5 -6.650 20.542 7.984 1.00 0.00 N ATOM 58 CA GLU A 5 -5.877 19.295 7.802 1.00 0.00 C ATOM 59 C GLU A 5 -5.314 19.120 6.378 1.00 0.00 C ATOM 60 O GLU A 5 -6.063 19.199 5.401 1.00 0.00 O ATOM 61 CB GLU A 5 -6.637 18.017 8.231 1.00 0.00 C ATOM 62 CG GLU A 5 -6.961 17.687 9.690 1.00 0.00 C ATOM 63 CD GLU A 5 -7.882 16.502 9.957 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.384 15.383 10.205 1.00 0.00 O ATOM 65 OE2 GLU A 5 -9.086 16.735 10.209 1.00 0.00 O ATOM 0 H GLU A 5 -7.649 20.338 7.945 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.034 19.420 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.588 18.030 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.066 17.173 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.021 17.506 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.411 18.571 10.143 1.00 0.00 H new ATOM 70 N GLN A 6 -3.982 19.268 6.296 1.00 0.00 N ATOM 71 CA GLN A 6 -3.050 19.115 5.162 1.00 0.00 C ATOM 72 C GLN A 6 -2.094 17.901 5.162 1.00 0.00 C ATOM 73 O GLN A 6 -1.403 17.715 4.156 1.00 0.00 O ATOM 74 CB GLN A 6 -2.457 20.511 4.892 1.00 0.00 C ATOM 75 CG GLN A 6 -2.778 21.319 3.634 1.00 0.00 C ATOM 76 CD GLN A 6 -2.604 20.782 2.221 1.00 0.00 C ATOM 77 OE1 GLN A 6 -1.579 20.963 1.560 1.00 0.00 O ATOM 78 NE2 GLN A 6 -3.637 20.117 1.715 1.00 0.00 N ATOM 0 H GLN A 6 -3.464 19.533 7.134 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.602 18.783 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.735 21.136 5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.373 20.398 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.822 21.620 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.179 22.228 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.477 19.976 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.590 19.747 0.766 1.00 0.00 H new ATOM 85 N LEU A 7 -2.410 16.867 5.958 1.00 0.00 N ATOM 86 CA LEU A 7 -1.903 15.485 6.048 1.00 0.00 C ATOM 87 C LEU A 7 -2.302 14.514 4.906 1.00 0.00 C ATOM 88 O LEU A 7 -2.013 13.314 4.946 1.00 0.00 O ATOM 89 CB LEU A 7 -2.203 15.017 7.486 1.00 0.00 C ATOM 90 CG LEU A 7 -1.496 15.422 8.798 1.00 0.00 C ATOM 91 CD1 LEU A 7 -0.155 14.757 9.072 1.00 0.00 C ATOM 92 CD2 LEU A 7 -1.387 16.876 9.247 1.00 0.00 C ATOM 0 H LEU A 7 -3.138 17.003 6.660 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.829 15.475 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.254 15.258 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.127 13.930 7.450 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.300 15.010 9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.244 15.119 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.289 13.676 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.541 14.998 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.851 16.925 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.846 17.450 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.386 17.294 9.373 1.00 0.00 H new ATOM 103 N ASN A 8 -2.908 15.053 3.837 1.00 0.00 N ATOM 104 CA ASN A 8 -2.957 14.707 2.402 1.00 0.00 C ATOM 105 C ASN A 8 -1.635 14.757 1.604 1.00 0.00 C ATOM 106 O ASN A 8 -1.510 14.004 0.634 1.00 0.00 O ATOM 107 CB ASN A 8 -4.099 15.570 1.826 1.00 0.00 C ATOM 108 CG ASN A 8 -4.986 15.024 0.707 1.00 0.00 C ATOM 109 OD1 ASN A 8 -4.725 15.253 -0.475 1.00 0.00 O ATOM 110 ND2 ASN A 8 -6.093 14.349 1.013 1.00 0.00 N ATOM 0 H ASN A 8 -3.474 15.888 3.987 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.149 13.639 2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.753 15.836 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.653 16.496 1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.715 14.027 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.318 14.154 1.989 1.00 0.00 H new ATOM 116 N SER A 9 -0.625 15.517 2.059 1.00 0.00 N ATOM 117 CA SER A 9 0.801 15.485 1.700 1.00 0.00 C ATOM 118 C SER A 9 1.625 14.277 2.166 1.00 0.00 C ATOM 119 O SER A 9 2.538 13.942 1.404 1.00 0.00 O ATOM 120 CB SER A 9 1.559 16.767 2.068 1.00 0.00 C ATOM 121 OG SER A 9 0.990 17.984 1.595 1.00 0.00 O ATOM 0 H SER A 9 -0.806 16.240 2.756 1.00 0.00 H new ATOM 0 HA SER A 9 0.716 15.388 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.635 16.822 3.154 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.575 16.689 1.681 1.00 0.00 H new ATOM 0 HG SER A 9 1.545 18.738 1.883 1.00 0.00 H new ATOM 126 N LEU A 10 1.101 13.485 3.118 1.00 0.00 N ATOM 127 CA LEU A 10 1.278 12.052 3.364 1.00 0.00 C ATOM 128 C LEU A 10 0.543 11.112 2.401 1.00 0.00 C ATOM 129 O LEU A 10 1.282 10.296 1.854 1.00 0.00 O ATOM 130 CB LEU A 10 1.111 11.815 4.871 1.00 0.00 C ATOM 131 CG LEU A 10 0.862 10.488 5.613 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.759 10.299 6.833 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.597 10.396 6.031 1.00 0.00 C ATOM 0 H LEU A 10 0.470 13.886 3.812 1.00 0.00 H new ATOM 0 HA LEU A 10 2.291 11.751 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.015 12.224 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.286 12.462 5.168 1.00 0.00 H new ATOM 0 HG LEU A 10 1.110 9.689 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.531 9.345 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.804 10.309 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.584 11.108 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.767 9.455 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.839 11.228 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.232 10.438 5.146 1.00 0.00 H new ATOM 144 N ALA A 11 -0.709 11.347 1.988 1.00 0.00 N ATOM 145 CA ALA A 11 -1.516 10.510 1.092 1.00 0.00 C ATOM 146 C ALA A 11 -1.173 10.446 -0.407 1.00 0.00 C ATOM 147 O ALA A 11 -1.538 9.471 -1.072 1.00 0.00 O ATOM 148 CB ALA A 11 -2.955 10.954 1.246 1.00 0.00 C ATOM 0 H ALA A 11 -1.217 12.179 2.290 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.296 9.493 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.592 10.355 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.268 10.821 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.043 12.005 0.972 1.00 0.00 H new ATOM 154 N ILE A 12 -0.179 11.273 -0.746 1.00 0.00 N ATOM 155 CA ILE A 12 0.837 11.112 -1.802 1.00 0.00 C ATOM 156 C ILE A 12 2.145 10.416 -1.394 1.00 0.00 C ATOM 157 O ILE A 12 2.155 9.254 -1.797 1.00 0.00 O ATOM 158 CB ILE A 12 0.845 12.357 -2.736 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.429 12.271 -4.229 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.893 13.457 -2.607 1.00 0.00 C ATOM 161 CD1 ILE A 12 0.994 11.301 -5.252 1.00 0.00 C ATOM 0 H ILE A 12 -0.050 12.153 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 12 0.542 10.307 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.030 12.640 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.648 12.104 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.597 13.266 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.708 14.225 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.835 13.900 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.886 13.033 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.516 11.470 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.068 11.458 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.804 10.278 -4.927 1.00 0.00 H new ATOM 172 N THR A 13 2.918 10.849 -0.390 1.00 0.00 N ATOM 173 CA THR A 13 4.230 10.350 0.081 1.00 0.00 C ATOM 174 C THR A 13 4.411 8.848 0.385 1.00 0.00 C ATOM 175 O THR A 13 5.045 8.162 -0.421 1.00 0.00 O ATOM 176 CB THR A 13 4.859 11.439 0.997 1.00 0.00 C ATOM 177 OG1 THR A 13 6.191 11.749 0.559 1.00 0.00 O ATOM 178 CG2 THR A 13 4.837 11.655 2.515 1.00 0.00 C ATOM 0 H THR A 13 2.614 11.641 0.176 1.00 0.00 H new ATOM 0 HA THR A 13 4.896 10.234 -0.774 1.00 0.00 H new ATOM 0 HB THR A 13 3.966 12.041 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.632 12.313 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.409 12.549 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.807 11.778 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.280 10.792 3.012 1.00 0.00 H new ATOM 186 N PHE A 14 3.571 8.394 1.316 1.00 0.00 N ATOM 187 CA PHE A 14 2.919 7.144 1.744 1.00 0.00 C ATOM 188 C PHE A 14 2.141 6.249 0.776 1.00 0.00 C ATOM 189 O PHE A 14 2.317 5.030 0.884 1.00 0.00 O ATOM 190 CB PHE A 14 2.335 7.460 3.138 1.00 0.00 C ATOM 191 CG PHE A 14 1.000 6.993 3.664 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.151 7.501 3.080 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.880 5.931 4.556 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.351 6.829 3.233 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.327 5.267 4.720 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.441 5.687 4.012 1.00 0.00 C ATOM 0 H PHE A 14 3.245 9.107 1.969 1.00 0.00 H new ATOM 0 HA PHE A 14 3.668 6.353 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.075 7.105 3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.317 8.547 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.111 8.417 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.740 5.619 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.234 7.202 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.398 4.428 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.366 5.132 4.066 1.00 0.00 H new ATOM 205 N GLY A 15 1.521 6.880 -0.225 1.00 0.00 N ATOM 206 CA GLY A 15 0.520 6.383 -1.161 1.00 0.00 C ATOM 207 C GLY A 15 0.966 5.874 -2.525 1.00 0.00 C ATOM 208 O GLY A 15 0.120 5.177 -3.095 1.00 0.00 O ATOM 0 H GLY A 15 1.735 7.859 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.016 5.572 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.199 7.185 -1.329 1.00 0.00 H new ATOM 212 N ILE A 16 2.113 6.329 -3.064 1.00 0.00 N ATOM 213 CA ILE A 16 3.036 5.578 -3.896 1.00 0.00 C ATOM 214 C ILE A 16 3.728 4.339 -3.280 1.00 0.00 C ATOM 215 O ILE A 16 3.797 3.350 -4.023 1.00 0.00 O ATOM 216 CB ILE A 16 3.877 6.423 -4.886 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.709 7.690 -4.616 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.427 6.326 -6.342 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.026 8.958 -4.202 1.00 0.00 C ATOM 0 H ILE A 16 2.427 7.288 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 16 2.336 5.061 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 16 4.703 5.827 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.434 7.443 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.274 7.907 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.070 6.948 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.492 5.290 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.396 6.670 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.770 9.741 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.324 9.263 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.486 8.793 -3.269 1.00 0.00 H new ATOM 230 N VAL A 17 3.979 4.295 -1.946 1.00 0.00 N ATOM 231 CA VAL A 17 4.414 3.197 -1.071 1.00 0.00 C ATOM 232 C VAL A 17 3.303 2.203 -0.673 1.00 0.00 C ATOM 233 O VAL A 17 3.647 1.016 -0.696 1.00 0.00 O ATOM 234 CB VAL A 17 5.274 3.606 0.164 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.636 2.938 0.244 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.813 5.021 0.207 1.00 0.00 C ATOM 0 H VAL A 17 3.863 5.146 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 17 5.093 2.663 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 17 4.529 3.359 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.159 3.285 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.508 1.857 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.219 3.193 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.391 5.163 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.454 5.193 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.983 5.727 0.189 1.00 0.00 H new ATOM 246 N MET A 18 2.041 2.625 -0.420 1.00 0.00 N ATOM 247 CA MET A 18 0.784 1.861 -0.414 1.00 0.00 C ATOM 248 C MET A 18 0.331 1.247 -1.748 1.00 0.00 C ATOM 249 O MET A 18 0.135 0.034 -1.674 1.00 0.00 O ATOM 250 CB MET A 18 -0.304 2.715 0.249 1.00 0.00 C ATOM 251 CG MET A 18 -1.084 2.176 1.448 1.00 0.00 C ATOM 252 SD MET A 18 -2.662 2.969 1.825 1.00 0.00 S ATOM 253 CE MET A 18 -3.322 1.862 3.070 1.00 0.00 C ATOM 0 H MET A 18 1.868 3.604 -0.194 1.00 0.00 H new ATOM 0 HA MET A 18 0.983 0.962 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.164 3.648 0.562 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.032 2.967 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.270 1.115 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.447 2.254 2.329 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.296 2.224 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.430 0.863 2.648 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.642 1.825 3.921 1.00 0.00 H new ATOM 261 N MET A 19 0.503 1.894 -2.915 1.00 0.00 N ATOM 262 CA MET A 19 0.252 1.427 -4.279 1.00 0.00 C ATOM 263 C MET A 19 1.187 0.344 -4.831 1.00 0.00 C ATOM 264 O MET A 19 0.583 -0.619 -5.310 1.00 0.00 O ATOM 265 CB MET A 19 0.086 2.647 -5.217 1.00 0.00 C ATOM 266 CG MET A 19 -1.287 3.231 -5.551 1.00 0.00 C ATOM 267 SD MET A 19 -1.411 4.993 -5.951 1.00 0.00 S ATOM 268 CE MET A 19 -1.033 5.337 -7.671 1.00 0.00 C ATOM 0 H MET A 19 0.856 2.851 -2.920 1.00 0.00 H new ATOM 0 HA MET A 19 -0.684 0.870 -4.232 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.676 3.457 -4.787 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.553 2.381 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.687 2.672 -6.397 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.943 3.038 -4.702 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.123 6.407 -7.856 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.015 5.014 -7.891 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.731 4.798 -8.312 1.00 0.00 H new ATOM 276 N THR A 20 2.393 0.247 -4.253 1.00 0.00 N ATOM 277 CA THR A 20 3.368 -0.843 -4.337 1.00 0.00 C ATOM 278 C THR A 20 3.200 -2.042 -3.386 1.00 0.00 C ATOM 279 O THR A 20 3.309 -3.136 -3.942 1.00 0.00 O ATOM 280 CB THR A 20 4.835 -0.348 -4.297 1.00 0.00 C ATOM 281 OG1 THR A 20 5.129 0.752 -3.421 1.00 0.00 O ATOM 282 CG2 THR A 20 5.491 -0.052 -5.646 1.00 0.00 C ATOM 0 H THR A 20 2.740 1.001 -3.660 1.00 0.00 H new ATOM 0 HA THR A 20 3.126 -1.243 -5.321 1.00 0.00 H new ATOM 0 HB THR A 20 5.277 -1.251 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.651 1.551 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.515 0.286 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.498 -0.957 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.928 0.726 -6.161 1.00 0.00 H new ATOM 290 N LEU A 21 2.670 -1.894 -2.163 1.00 0.00 N ATOM 291 CA LEU A 21 2.169 -2.884 -1.189 1.00 0.00 C ATOM 292 C LEU A 21 0.761 -3.461 -1.444 1.00 0.00 C ATOM 293 O LEU A 21 0.712 -4.677 -1.259 1.00 0.00 O ATOM 294 CB LEU A 21 2.356 -2.492 0.291 1.00 0.00 C ATOM 295 CG LEU A 21 3.425 -3.069 1.233 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.324 -2.317 2.551 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.341 -4.531 1.642 1.00 0.00 C ATOM 0 H LEU A 21 2.568 -0.954 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 21 2.849 -3.712 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.505 -1.412 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.398 -2.684 0.774 1.00 0.00 H new ATOM 0 HG LEU A 21 4.339 -2.966 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.070 -2.701 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.501 -1.255 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.329 -2.455 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.171 -4.771 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.398 -4.711 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.393 -5.161 0.754 1.00 0.00 H new ATOM 308 N ILE A 22 -0.171 -2.798 -2.159 1.00 0.00 N ATOM 309 CA ILE A 22 -1.487 -3.229 -2.671 1.00 0.00 C ATOM 310 C ILE A 22 -1.518 -4.170 -3.883 1.00 0.00 C ATOM 311 O ILE A 22 -2.283 -5.139 -3.875 1.00 0.00 O ATOM 312 CB ILE A 22 -2.590 -2.154 -2.658 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.042 -2.558 -2.868 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.422 -0.829 -3.343 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.917 -2.928 -1.698 1.00 0.00 C ATOM 0 H ILE A 22 0.004 -1.828 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.771 -3.918 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.369 -2.012 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.532 -1.734 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.042 -3.408 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.323 -0.231 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.568 -0.304 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.253 -0.989 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.914 -3.185 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.487 -3.784 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.984 -2.083 -1.012 1.00 0.00 H new ATOM 326 N VAL A 23 -0.682 -3.839 -4.877 1.00 0.00 N ATOM 327 CA VAL A 23 -0.258 -4.508 -6.101 1.00 0.00 C ATOM 328 C VAL A 23 0.745 -5.638 -5.785 1.00 0.00 C ATOM 329 O VAL A 23 0.747 -6.608 -6.550 1.00 0.00 O ATOM 330 CB VAL A 23 0.195 -3.349 -7.020 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.698 -3.899 -8.348 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.856 -2.429 -7.639 1.00 0.00 C ATOM 0 H VAL A 23 -0.212 -2.936 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.027 -5.069 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 23 0.857 -2.832 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.014 -3.074 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.543 -4.564 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.102 -4.452 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.363 -1.675 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.533 -3.016 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.422 -1.939 -6.847 1.00 0.00 H new ATOM 342 N ILE A 24 1.333 -5.621 -4.570 1.00 0.00 N ATOM 343 CA ILE A 24 2.065 -6.688 -3.883 1.00 0.00 C ATOM 344 C ILE A 24 1.307 -7.696 -2.995 1.00 0.00 C ATOM 345 O ILE A 24 1.509 -8.902 -3.168 1.00 0.00 O ATOM 346 CB ILE A 24 3.516 -6.189 -3.617 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.748 -6.503 -4.479 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.071 -6.391 -2.225 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.839 -5.844 -5.829 1.00 0.00 C ATOM 0 H ILE A 24 1.300 -4.777 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 24 2.198 -7.573 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 24 3.159 -5.199 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.636 -6.227 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.788 -7.582 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.087 -5.999 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.445 -5.865 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.081 -7.455 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.758 -6.156 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.982 -6.137 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.843 -4.761 -5.706 1.00 0.00 H new ATOM 360 N TYR A 25 0.256 -7.199 -2.327 1.00 0.00 N ATOM 361 CA TYR A 25 -0.883 -7.819 -1.627 1.00 0.00 C ATOM 362 C TYR A 25 -1.877 -8.623 -2.490 1.00 0.00 C ATOM 363 O TYR A 25 -1.916 -9.822 -2.209 1.00 0.00 O ATOM 364 CB TYR A 25 -1.350 -6.907 -0.472 1.00 0.00 C ATOM 365 CG TYR A 25 -0.809 -6.949 0.963 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.487 -7.267 1.386 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.653 -6.487 1.975 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.849 -7.208 2.733 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.299 -6.405 3.315 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.035 -6.786 3.718 1.00 0.00 C ATOM 371 OH TYR A 25 0.313 -6.667 5.050 1.00 0.00 O ATOM 0 H TYR A 25 0.174 -6.185 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.564 -8.719 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.197 -5.885 -0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.426 -7.058 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.223 -7.565 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.648 -6.172 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.849 -7.500 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.012 -6.043 4.041 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.461 -6.354 5.564 1.00 0.00 H new ATOM 380 N HIS A 26 -2.041 -8.218 -3.760 1.00 0.00 N ATOM 381 CA HIS A 26 -2.588 -8.934 -4.920 1.00 0.00 C ATOM 382 C HIS A 26 -1.785 -10.061 -5.585 1.00 0.00 C ATOM 383 O HIS A 26 -2.401 -10.930 -6.212 1.00 0.00 O ATOM 384 CB HIS A 26 -3.084 -7.826 -5.876 1.00 0.00 C ATOM 385 CG HIS A 26 -3.817 -7.903 -7.188 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.151 -8.155 -7.421 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.186 -8.203 -8.334 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.310 -8.669 -8.629 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.119 -8.736 -9.201 1.00 0.00 N ATOM 0 H HIS A 26 -1.761 -7.274 -4.026 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.383 -9.585 -4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.719 -7.198 -5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.188 -7.248 -6.103 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.137 -8.054 -8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.246 -8.979 -9.070 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.923 -9.117 -10.127 1.00 0.00 H new ATOM 397 N ALA A 27 -0.492 -10.133 -5.242 1.00 0.00 N ATOM 398 CA ALA A 27 0.470 -11.191 -5.575 1.00 0.00 C ATOM 399 C ALA A 27 0.745 -12.240 -4.482 1.00 0.00 C ATOM 400 O ALA A 27 1.010 -13.383 -4.864 1.00 0.00 O ATOM 401 CB ALA A 27 1.695 -10.466 -6.123 1.00 0.00 C ATOM 0 H ALA A 27 -0.059 -9.398 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 27 0.046 -11.859 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.458 -11.195 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.413 -9.891 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.090 -9.793 -5.362 1.00 0.00 H new ATOM 407 N VAL A 28 0.356 -11.947 -3.231 1.00 0.00 N ATOM 408 CA VAL A 28 0.450 -12.716 -1.986 1.00 0.00 C ATOM 409 C VAL A 28 -0.864 -13.359 -1.502 1.00 0.00 C ATOM 410 O VAL A 28 -0.928 -14.579 -1.658 1.00 0.00 O ATOM 411 CB VAL A 28 1.373 -12.050 -0.926 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.583 -11.297 -1.438 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.032 -11.358 0.389 1.00 0.00 C ATOM 0 H VAL A 28 -0.089 -11.047 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 28 0.999 -13.624 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 28 1.409 -13.093 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.138 -10.884 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.225 -11.978 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.258 -10.487 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.949 -11.013 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.381 -10.506 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.522 -12.060 1.048 1.00 0.00 H new ATOM 423 N ASP A 29 -1.929 -12.564 -1.298 1.00 0.00 N ATOM 424 CA ASP A 29 -3.308 -12.781 -0.828 1.00 0.00 C ATOM 425 C ASP A 29 -4.306 -13.336 -1.870 1.00 0.00 C ATOM 426 O ASP A 29 -5.130 -14.177 -1.496 1.00 0.00 O ATOM 427 CB ASP A 29 -3.701 -11.409 -0.248 1.00 0.00 C ATOM 428 CG ASP A 29 -4.629 -11.348 0.974 1.00 0.00 C ATOM 429 OD1 ASP A 29 -4.154 -11.265 2.133 1.00 0.00 O ATOM 430 OD2 ASP A 29 -5.854 -11.151 0.816 1.00 0.00 O ATOM 0 H ASP A 29 -1.814 -11.570 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.350 -13.587 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.780 -10.888 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.174 -10.839 -1.047 1.00 0.00 H new ATOM 434 N SER A 30 -4.347 -12.749 -3.081 1.00 0.00 N ATOM 435 CA SER A 30 -4.820 -13.208 -4.403 1.00 0.00 C ATOM 436 C SER A 30 -3.803 -13.847 -5.372 1.00 0.00 C ATOM 437 O SER A 30 -2.637 -13.979 -4.993 1.00 0.00 O ATOM 438 CB SER A 30 -5.533 -12.039 -5.095 1.00 0.00 C ATOM 439 OG SER A 30 -6.862 -11.804 -4.656 1.00 0.00 O ATOM 0 H SER A 30 -3.995 -11.796 -3.166 1.00 0.00 H new ATOM 0 HA SER A 30 -5.475 -14.047 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.949 -11.132 -4.938 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.549 -12.227 -6.169 1.00 0.00 H new ATOM 0 HG SER A 30 -7.239 -11.044 -5.146 1.00 0.00 H new ATOM 444 N THR A 31 -4.282 -14.435 -6.484 1.00 0.00 N ATOM 445 CA THR A 31 -3.640 -14.819 -7.756 1.00 0.00 C ATOM 446 C THR A 31 -3.051 -13.740 -8.688 1.00 0.00 C ATOM 447 O THR A 31 -3.530 -12.601 -8.659 1.00 0.00 O ATOM 448 CB THR A 31 -4.466 -15.974 -8.394 1.00 0.00 C ATOM 449 OG1 THR A 31 -3.645 -16.847 -9.178 1.00 0.00 O ATOM 450 CG2 THR A 31 -5.776 -15.799 -9.163 1.00 0.00 C ATOM 0 H THR A 31 -5.270 -14.687 -6.514 1.00 0.00 H new ATOM 0 HA THR A 31 -2.648 -15.189 -7.498 1.00 0.00 H new ATOM 0 HB THR A 31 -4.835 -16.343 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.159 -17.643 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.135 -16.773 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.521 -15.341 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.607 -15.158 -10.028 1.00 0.00 H new ATOM 458 N MET A 32 -1.746 -13.987 -8.920 1.00 0.00 N ATOM 459 CA MET A 32 -0.775 -13.450 -9.895 1.00 0.00 C ATOM 460 C MET A 32 -0.434 -14.318 -11.126 1.00 0.00 C ATOM 461 O MET A 32 -0.959 -15.427 -11.238 1.00 0.00 O ATOM 462 CB MET A 32 0.494 -12.910 -9.197 1.00 0.00 C ATOM 463 CG MET A 32 1.544 -13.728 -8.451 1.00 0.00 C ATOM 464 SD MET A 32 3.204 -13.021 -8.550 1.00 0.00 S ATOM 465 CE MET A 32 4.108 -14.451 -7.961 1.00 0.00 C ATOM 0 H MET A 32 -1.278 -14.678 -8.333 1.00 0.00 H new ATOM 0 HA MET A 32 -1.326 -12.624 -10.346 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.042 -12.369 -9.968 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.139 -12.170 -8.480 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.254 -13.810 -7.404 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.563 -14.739 -8.857 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.174 -14.226 -7.944 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.774 -14.703 -6.955 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.927 -15.295 -8.626 1.00 0.00 H new ATOM 473 N SER A 33 0.239 -13.752 -12.147 1.00 0.00 N ATOM 474 CA SER A 33 1.150 -14.332 -13.155 1.00 0.00 C ATOM 475 C SER A 33 2.323 -15.231 -12.693 1.00 0.00 C ATOM 476 O SER A 33 2.999 -14.744 -11.784 1.00 0.00 O ATOM 477 CB SER A 33 1.504 -13.156 -14.095 1.00 0.00 C ATOM 478 OG SER A 33 2.534 -12.237 -13.751 1.00 0.00 O ATOM 0 H SER A 33 0.144 -12.749 -12.304 1.00 0.00 H new ATOM 0 HA SER A 33 0.631 -15.135 -13.678 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.767 -13.586 -15.062 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.592 -12.576 -14.241 1.00 0.00 H new ATOM 0 HG SER A 33 2.621 -11.564 -14.458 1.00 0.00 H new ATOM 483 N PRO A 34 2.517 -16.541 -13.043 1.00 0.00 N ATOM 484 CA PRO A 34 3.619 -17.377 -12.494 1.00 0.00 C ATOM 485 C PRO A 34 5.099 -17.146 -12.855 1.00 0.00 C ATOM 486 O PRO A 34 5.917 -17.201 -11.930 1.00 0.00 O ATOM 487 CB PRO A 34 3.167 -18.843 -12.608 1.00 0.00 C ATOM 488 CG PRO A 34 1.998 -18.865 -13.530 1.00 0.00 C ATOM 489 CD PRO A 34 1.435 -17.464 -13.472 1.00 0.00 C ATOM 0 HA PRO A 34 3.730 -17.013 -11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.974 -19.467 -12.992 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.895 -19.240 -11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.299 -19.129 -14.544 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.259 -19.602 -13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.050 -17.169 -14.448 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.600 -17.420 -12.773 1.00 0.00 H new ATOM 494 N LYS A 35 5.357 -16.721 -14.102 1.00 0.00 N ATOM 495 CA LYS A 35 6.500 -16.008 -14.701 1.00 0.00 C ATOM 496 C LYS A 35 6.451 -14.500 -14.414 1.00 0.00 C ATOM 497 O LYS A 35 5.404 -13.865 -14.599 1.00 0.00 O ATOM 498 CB LYS A 35 6.580 -16.340 -16.210 1.00 0.00 C ATOM 499 CG LYS A 35 7.813 -16.635 -17.048 1.00 0.00 C ATOM 500 CD LYS A 35 8.463 -15.405 -17.665 1.00 0.00 C ATOM 501 CE LYS A 35 9.444 -15.682 -18.791 1.00 0.00 C ATOM 502 NZ LYS A 35 10.024 -14.379 -19.218 1.00 0.00 N ATOM 0 H LYS A 35 4.659 -16.898 -14.825 1.00 0.00 H new ATOM 0 HA LYS A 35 7.422 -16.354 -14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.935 -17.208 -16.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.093 -15.502 -16.709 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.547 -17.145 -16.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.538 -17.325 -17.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.677 -14.751 -18.043 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.983 -14.857 -16.879 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.230 -16.359 -18.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.940 -16.168 -19.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.702 -14.537 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.263 -13.752 -19.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.513 -13.936 -18.414 1.00 0.00 H new ATOM 512 N ASN A 36 7.318 -14.214 -13.430 1.00 0.00 N ATOM 513 CA ASN A 36 7.909 -12.907 -13.141 1.00 0.00 C ATOM 514 C ASN A 36 9.387 -12.684 -13.470 1.00 0.00 C ATOM 515 O ASN A 36 9.649 -11.741 -14.249 1.00 0.00 O ATOM 516 CB ASN A 36 7.554 -12.371 -11.729 1.00 0.00 C ATOM 517 CG ASN A 36 7.732 -13.162 -10.437 1.00 0.00 C ATOM 518 OD1 ASN A 36 7.444 -14.354 -10.314 1.00 0.00 O ATOM 519 ND2 ASN A 36 8.486 -12.561 -9.522 1.00 0.00 N ATOM 520 OXT ASN A 36 10.238 -13.562 -13.215 1.00 0.00 O ATOM 0 H ASN A 36 7.641 -14.932 -12.781 1.00 0.00 H new ATOM 0 HA ASN A 36 7.406 -12.299 -13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.126 -11.452 -11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.502 -12.089 -11.768 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.827 -13.086 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.724 -11.574 -9.625 1.00 0.00 H new TER 526 ASN A 36