USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot -127:sc= 0.366 USER MOD Set 1.2: A 47 THR OG1 : rot 112:sc= 1.22 USER MOD Set 1.3: A 49 TYR OH : rot -143:sc= 0.0723 USER MOD Set 2.1: A 3 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.1!) USER MOD Set 2.2: A 5 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00193 (180deg=-0.00792) USER MOD Single : A 2 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 4 HIS : no HD1:sc= -0.0559 K(o=-0.056,f=-6.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -63:sc= 0.547 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 41:sc= 1.19 USER MOD Single : A 24 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.83) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 55:sc= 0.669 USER MOD Single : A 32 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= -2.18! (180deg=-4.69!) USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 43 TYR OH : rot -136:sc= 0.638 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 2:sc= 1.2 USER MOD Single : A 67 SER OG : rot 114:sc= 0.096 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.565 5.738 14.760 1.00 0.00 N ATOM 2 CA MET A 1 14.461 5.389 13.324 1.00 0.00 C ATOM 3 C MET A 1 13.088 5.771 12.781 1.00 0.00 C ATOM 4 O MET A 1 12.065 5.475 13.396 1.00 0.00 O ATOM 5 CB MET A 1 14.719 3.892 13.102 1.00 0.00 C ATOM 6 CG MET A 1 13.702 2.986 13.775 1.00 0.00 C ATOM 7 SD MET A 1 13.974 1.245 13.415 1.00 0.00 S ATOM 8 CE MET A 1 12.632 0.501 14.338 1.00 0.00 C ATOM 0 H1 MET A 1 15.144 5.026 15.249 1.00 0.00 H new ATOM 0 H2 MET A 1 15.010 6.673 14.859 1.00 0.00 H new ATOM 0 H3 MET A 1 13.615 5.760 15.182 1.00 0.00 H new ATOM 0 HA MET A 1 15.223 5.952 12.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.720 3.688 12.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.713 3.645 13.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.742 3.140 14.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.700 3.267 13.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.663 -0.582 14.216 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.735 0.750 15.394 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.680 0.881 13.966 1.00 0.00 H new ATOM 20 N THR A 2 13.068 6.426 11.633 1.00 0.00 N ATOM 21 CA THR A 2 11.817 6.824 11.008 1.00 0.00 C ATOM 22 C THR A 2 11.395 5.796 9.962 1.00 0.00 C ATOM 23 O THR A 2 10.292 5.854 9.417 1.00 0.00 O ATOM 24 CB THR A 2 11.937 8.211 10.342 1.00 0.00 C ATOM 25 OG1 THR A 2 13.054 8.233 9.436 1.00 0.00 O ATOM 26 CG2 THR A 2 12.108 9.304 11.389 1.00 0.00 C ATOM 0 H THR A 2 13.904 6.694 11.114 1.00 0.00 H new ATOM 0 HA THR A 2 11.062 6.879 11.792 1.00 0.00 H new ATOM 0 HB THR A 2 11.018 8.399 9.788 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.754 7.970 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.190 10.272 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.245 9.309 12.054 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.012 9.115 11.968 1.00 0.00 H new ATOM 34 N HIS A 3 12.293 4.861 9.686 1.00 0.00 N ATOM 35 CA HIS A 3 12.050 3.836 8.689 1.00 0.00 C ATOM 36 C HIS A 3 11.365 2.632 9.319 1.00 0.00 C ATOM 37 O HIS A 3 11.958 1.903 10.114 1.00 0.00 O ATOM 38 CB HIS A 3 13.371 3.419 8.030 1.00 0.00 C ATOM 39 CG HIS A 3 13.210 2.484 6.870 1.00 0.00 C ATOM 40 ND1 HIS A 3 13.989 1.361 6.697 1.00 0.00 N ATOM 41 CD2 HIS A 3 12.373 2.525 5.805 1.00 0.00 C ATOM 42 CE1 HIS A 3 13.640 0.751 5.582 1.00 0.00 C ATOM 43 NE2 HIS A 3 12.663 1.432 5.024 1.00 0.00 N ATOM 0 H HIS A 3 13.202 4.794 10.144 1.00 0.00 H new ATOM 0 HA HIS A 3 11.390 4.242 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.894 4.314 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.004 2.945 8.780 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.621 3.274 5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.081 -0.154 5.193 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.195 1.188 4.151 1.00 0.00 H new ATOM 52 N HIS A 4 10.113 2.431 8.949 1.00 0.00 N ATOM 53 CA HIS A 4 9.346 1.288 9.411 1.00 0.00 C ATOM 54 C HIS A 4 9.416 0.195 8.362 1.00 0.00 C ATOM 55 O HIS A 4 9.013 0.400 7.217 1.00 0.00 O ATOM 56 CB HIS A 4 7.880 1.683 9.650 1.00 0.00 C ATOM 57 CG HIS A 4 6.974 0.543 9.978 1.00 0.00 C ATOM 58 ND1 HIS A 4 6.857 -0.018 11.229 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.137 -0.134 9.184 1.00 0.00 C ATOM 60 CE1 HIS A 4 5.979 -1.003 11.182 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.528 -1.100 9.948 1.00 0.00 N ATOM 0 H HIS A 4 9.601 3.052 8.323 1.00 0.00 H new ATOM 0 HA HIS A 4 9.764 0.932 10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.841 2.407 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.503 2.185 8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.970 0.046 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.681 -1.624 12.014 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.842 -1.778 9.616 1.00 0.00 H new ATOM 70 N THR A 5 9.933 -0.955 8.748 1.00 0.00 N ATOM 71 CA THR A 5 10.094 -2.056 7.820 1.00 0.00 C ATOM 72 C THR A 5 9.408 -3.306 8.348 1.00 0.00 C ATOM 73 O THR A 5 9.407 -3.563 9.554 1.00 0.00 O ATOM 74 CB THR A 5 11.580 -2.365 7.588 1.00 0.00 C ATOM 75 OG1 THR A 5 12.336 -1.147 7.614 1.00 0.00 O ATOM 76 CG2 THR A 5 11.788 -3.061 6.253 1.00 0.00 C ATOM 0 H THR A 5 10.249 -1.151 9.698 1.00 0.00 H new ATOM 0 HA THR A 5 9.637 -1.759 6.876 1.00 0.00 H new ATOM 0 HB THR A 5 11.920 -3.029 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.284 -1.347 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.849 -3.269 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.230 -3.997 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.435 -2.417 5.448 1.00 0.00 H new ATOM 84 N GLU A 6 8.802 -4.052 7.443 1.00 0.00 N ATOM 85 CA GLU A 6 8.177 -5.323 7.776 1.00 0.00 C ATOM 86 C GLU A 6 8.020 -6.170 6.521 1.00 0.00 C ATOM 87 O GLU A 6 7.950 -5.640 5.406 1.00 0.00 O ATOM 88 CB GLU A 6 6.817 -5.110 8.455 1.00 0.00 C ATOM 89 CG GLU A 6 5.826 -4.303 7.631 1.00 0.00 C ATOM 90 CD GLU A 6 4.482 -4.169 8.315 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.333 -3.273 9.173 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.567 -4.954 8.001 1.00 0.00 O ATOM 0 H GLU A 6 8.728 -3.797 6.458 1.00 0.00 H new ATOM 0 HA GLU A 6 8.822 -5.848 8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.379 -6.083 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.975 -4.606 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.236 -3.311 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.691 -4.780 6.660 1.00 0.00 H new ATOM 99 N VAL A 7 8.000 -7.478 6.699 1.00 0.00 N ATOM 100 CA VAL A 7 7.816 -8.396 5.592 1.00 0.00 C ATOM 101 C VAL A 7 6.410 -8.969 5.625 1.00 0.00 C ATOM 102 O VAL A 7 6.045 -9.693 6.551 1.00 0.00 O ATOM 103 CB VAL A 7 8.844 -9.546 5.631 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.628 -10.507 4.474 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.261 -8.999 5.607 1.00 0.00 C ATOM 0 H VAL A 7 8.110 -7.930 7.607 1.00 0.00 H new ATOM 0 HA VAL A 7 7.967 -7.838 4.668 1.00 0.00 H new ATOM 0 HB VAL A 7 8.700 -10.095 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.365 -11.308 4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.626 -10.931 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.738 -9.972 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.971 -9.826 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.413 -8.421 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.418 -8.357 6.474 1.00 0.00 H new ATOM 115 N PHE A 8 5.620 -8.637 4.619 1.00 0.00 N ATOM 116 CA PHE A 8 4.252 -9.118 4.548 1.00 0.00 C ATOM 117 C PHE A 8 4.124 -10.130 3.422 1.00 0.00 C ATOM 118 O PHE A 8 4.178 -9.767 2.248 1.00 0.00 O ATOM 119 CB PHE A 8 3.283 -7.954 4.311 1.00 0.00 C ATOM 120 CG PHE A 8 1.847 -8.284 4.609 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.385 -8.303 5.915 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.956 -8.564 3.587 1.00 0.00 C ATOM 123 CE1 PHE A 8 0.063 -8.596 6.195 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.368 -8.856 3.861 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.813 -8.872 5.167 1.00 0.00 C ATOM 0 H PHE A 8 5.901 -8.038 3.843 1.00 0.00 H new ATOM 0 HA PHE A 8 3.999 -9.593 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.587 -7.110 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.363 -7.633 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.066 -8.086 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.299 -8.554 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.283 -8.609 7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.053 -9.071 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.846 -9.100 5.384 1.00 0.00 H new ATOM 135 N GLU A 9 3.983 -11.399 3.793 1.00 0.00 N ATOM 136 CA GLU A 9 3.821 -12.496 2.836 1.00 0.00 C ATOM 137 C GLU A 9 4.941 -12.519 1.791 1.00 0.00 C ATOM 138 O GLU A 9 4.752 -12.990 0.665 1.00 0.00 O ATOM 139 CB GLU A 9 2.454 -12.401 2.152 1.00 0.00 C ATOM 140 CG GLU A 9 1.294 -12.292 3.132 1.00 0.00 C ATOM 141 CD GLU A 9 1.391 -13.289 4.269 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.986 -14.455 4.083 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.877 -12.911 5.355 1.00 0.00 O ATOM 0 H GLU A 9 3.977 -11.700 4.768 1.00 0.00 H new ATOM 0 HA GLU A 9 3.881 -13.430 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.446 -11.533 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.308 -13.280 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.264 -11.282 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.357 -12.447 2.598 1.00 0.00 H new ATOM 150 N GLY A 10 6.111 -12.032 2.177 1.00 0.00 N ATOM 151 CA GLY A 10 7.247 -12.027 1.276 1.00 0.00 C ATOM 152 C GLY A 10 7.424 -10.698 0.566 1.00 0.00 C ATOM 153 O GLY A 10 8.347 -10.532 -0.231 1.00 0.00 O ATOM 0 H GLY A 10 6.295 -11.639 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.152 -12.258 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.122 -12.816 0.535 1.00 0.00 H new ATOM 157 N GLY A 11 6.529 -9.761 0.839 1.00 0.00 N ATOM 158 CA GLY A 11 6.633 -8.439 0.256 1.00 0.00 C ATOM 159 C GLY A 11 7.282 -7.461 1.206 1.00 0.00 C ATOM 160 O GLY A 11 7.042 -7.511 2.414 1.00 0.00 O ATOM 0 H GLY A 11 5.728 -9.893 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.213 -8.492 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.640 -8.080 -0.013 1.00 0.00 H new ATOM 164 N THR A 12 8.105 -6.575 0.671 1.00 0.00 N ATOM 165 CA THR A 12 8.834 -5.627 1.495 1.00 0.00 C ATOM 166 C THR A 12 8.038 -4.341 1.682 1.00 0.00 C ATOM 167 O THR A 12 7.705 -3.659 0.712 1.00 0.00 O ATOM 168 CB THR A 12 10.205 -5.300 0.875 1.00 0.00 C ATOM 169 OG1 THR A 12 10.846 -6.515 0.453 1.00 0.00 O ATOM 170 CG2 THR A 12 11.098 -4.590 1.881 1.00 0.00 C ATOM 0 H THR A 12 8.285 -6.493 -0.330 1.00 0.00 H new ATOM 0 HA THR A 12 8.988 -6.091 2.469 1.00 0.00 H new ATOM 0 HB THR A 12 10.046 -4.644 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.717 -6.305 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.061 -4.369 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.624 -3.660 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.250 -5.231 2.749 1.00 0.00 H new ATOM 178 N ILE A 13 7.728 -4.023 2.934 1.00 0.00 N ATOM 179 CA ILE A 13 7.035 -2.788 3.258 1.00 0.00 C ATOM 180 C ILE A 13 8.037 -1.734 3.707 1.00 0.00 C ATOM 181 O ILE A 13 8.752 -1.924 4.695 1.00 0.00 O ATOM 182 CB ILE A 13 5.990 -2.997 4.377 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.911 -3.989 3.933 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.356 -1.669 4.779 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.070 -3.505 2.767 1.00 0.00 C ATOM 0 H ILE A 13 7.948 -4.607 3.741 1.00 0.00 H new ATOM 0 HA ILE A 13 6.516 -2.457 2.358 1.00 0.00 H new ATOM 0 HB ILE A 13 6.503 -3.411 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.388 -4.930 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.255 -4.199 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.623 -1.840 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.129 -0.992 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.862 -1.225 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.330 -4.263 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.563 -2.581 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.713 -3.323 1.906 1.00 0.00 H new ATOM 197 N ASP A 14 8.083 -0.631 2.979 1.00 0.00 N ATOM 198 CA ASP A 14 8.980 0.467 3.298 1.00 0.00 C ATOM 199 C ASP A 14 8.186 1.716 3.640 1.00 0.00 C ATOM 200 O ASP A 14 7.580 2.337 2.769 1.00 0.00 O ATOM 201 CB ASP A 14 9.914 0.774 2.124 1.00 0.00 C ATOM 202 CG ASP A 14 11.175 -0.064 2.117 1.00 0.00 C ATOM 203 OD1 ASP A 14 11.154 -1.183 1.567 1.00 0.00 O ATOM 204 OD2 ASP A 14 12.203 0.410 2.649 1.00 0.00 O ATOM 0 H ASP A 14 7.503 -0.472 2.155 1.00 0.00 H new ATOM 0 HA ASP A 14 9.579 0.165 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.375 0.612 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.189 1.828 2.155 1.00 0.00 H new ATOM 209 N ILE A 15 8.166 2.077 4.907 1.00 0.00 N ATOM 210 CA ILE A 15 7.543 3.322 5.314 1.00 0.00 C ATOM 211 C ILE A 15 8.596 4.245 5.904 1.00 0.00 C ATOM 212 O ILE A 15 9.260 3.899 6.878 1.00 0.00 O ATOM 213 CB ILE A 15 6.409 3.092 6.338 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.343 2.164 5.745 1.00 0.00 C ATOM 215 CG2 ILE A 15 5.790 4.421 6.759 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.223 1.835 6.706 1.00 0.00 C ATOM 0 H ILE A 15 8.570 1.531 5.668 1.00 0.00 H new ATOM 0 HA ILE A 15 7.098 3.780 4.431 1.00 0.00 H new ATOM 0 HB ILE A 15 6.830 2.617 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.921 2.631 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.818 1.237 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.993 4.239 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.555 5.051 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.379 4.924 5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.507 1.175 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.633 1.339 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.721 2.754 7.009 1.00 0.00 H new ATOM 228 N GLU A 16 8.765 5.404 5.296 1.00 0.00 N ATOM 229 CA GLU A 16 9.762 6.356 5.756 1.00 0.00 C ATOM 230 C GLU A 16 9.095 7.566 6.357 1.00 0.00 C ATOM 231 O GLU A 16 8.030 7.993 5.903 1.00 0.00 O ATOM 232 CB GLU A 16 10.649 6.825 4.613 1.00 0.00 C ATOM 233 CG GLU A 16 11.950 7.479 5.068 1.00 0.00 C ATOM 234 CD GLU A 16 12.739 6.624 6.038 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.507 5.748 5.582 1.00 0.00 O ATOM 236 OE2 GLU A 16 12.603 6.828 7.261 1.00 0.00 O ATOM 0 H GLU A 16 8.227 5.710 4.485 1.00 0.00 H new ATOM 0 HA GLU A 16 10.371 5.847 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.886 5.972 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.092 7.534 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.567 7.691 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.723 8.436 5.538 1.00 0.00 H new ATOM 243 N ASP A 17 9.720 8.092 7.387 1.00 0.00 N ATOM 244 CA ASP A 17 9.318 9.351 7.979 1.00 0.00 C ATOM 245 C ASP A 17 7.861 9.301 8.451 1.00 0.00 C ATOM 246 O ASP A 17 7.163 10.315 8.454 1.00 0.00 O ATOM 247 CB ASP A 17 9.535 10.499 6.988 1.00 0.00 C ATOM 248 CG ASP A 17 9.500 11.855 7.662 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.250 12.052 8.644 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.723 12.727 7.216 1.00 0.00 O ATOM 0 H ASP A 17 10.524 7.658 7.840 1.00 0.00 H new ATOM 0 HA ASP A 17 9.941 9.530 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.495 10.369 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.767 10.460 6.216 1.00 0.00 H new ATOM 255 N ASP A 18 7.408 8.094 8.819 1.00 0.00 N ATOM 256 CA ASP A 18 6.074 7.879 9.402 1.00 0.00 C ATOM 257 C ASP A 18 4.947 8.071 8.372 1.00 0.00 C ATOM 258 O ASP A 18 3.788 7.764 8.645 1.00 0.00 O ATOM 259 CB ASP A 18 5.876 8.823 10.603 1.00 0.00 C ATOM 260 CG ASP A 18 4.584 8.585 11.361 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.541 7.654 12.195 1.00 0.00 O ATOM 262 OD2 ASP A 18 3.617 9.351 11.160 1.00 0.00 O ATOM 0 H ASP A 18 7.955 7.239 8.721 1.00 0.00 H new ATOM 0 HA ASP A 18 6.021 6.843 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.715 8.705 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.895 9.854 10.250 1.00 0.00 H new ATOM 267 N THR A 19 5.293 8.530 7.172 1.00 0.00 N ATOM 268 CA THR A 19 4.282 8.932 6.199 1.00 0.00 C ATOM 269 C THR A 19 4.514 8.353 4.799 1.00 0.00 C ATOM 270 O THR A 19 3.565 7.926 4.141 1.00 0.00 O ATOM 271 CB THR A 19 4.208 10.468 6.112 1.00 0.00 C ATOM 272 OG1 THR A 19 5.529 11.024 6.216 1.00 0.00 O ATOM 273 CG2 THR A 19 3.323 11.036 7.212 1.00 0.00 C ATOM 0 H THR A 19 6.256 8.632 6.852 1.00 0.00 H new ATOM 0 HA THR A 19 3.338 8.524 6.559 1.00 0.00 H new ATOM 0 HB THR A 19 3.772 10.736 5.150 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.906 10.809 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.289 12.122 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.315 10.632 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.730 10.761 8.185 1.00 0.00 H new ATOM 281 N SER A 20 5.759 8.347 4.338 1.00 0.00 N ATOM 282 CA SER A 20 6.071 7.897 2.985 1.00 0.00 C ATOM 283 C SER A 20 5.809 6.399 2.822 1.00 0.00 C ATOM 284 O SER A 20 6.374 5.576 3.545 1.00 0.00 O ATOM 285 CB SER A 20 7.523 8.234 2.654 1.00 0.00 C ATOM 286 OG SER A 20 7.749 9.634 2.764 1.00 0.00 O ATOM 0 H SER A 20 6.569 8.648 4.880 1.00 0.00 H new ATOM 0 HA SER A 20 5.416 8.418 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.190 7.698 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.758 7.900 1.643 1.00 0.00 H new ATOM 0 HG SER A 20 8.685 9.832 2.550 1.00 0.00 H new ATOM 292 N LEU A 21 4.956 6.056 1.861 1.00 0.00 N ATOM 293 CA LEU A 21 4.534 4.676 1.663 1.00 0.00 C ATOM 294 C LEU A 21 5.177 4.088 0.405 1.00 0.00 C ATOM 295 O LEU A 21 4.933 4.561 -0.707 1.00 0.00 O ATOM 296 CB LEU A 21 3.005 4.622 1.541 1.00 0.00 C ATOM 297 CG LEU A 21 2.315 3.389 2.139 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.858 2.098 1.544 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.460 3.385 3.652 1.00 0.00 C ATOM 0 H LEU A 21 4.543 6.719 1.205 1.00 0.00 H new ATOM 0 HA LEU A 21 4.855 4.085 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.593 5.510 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.745 4.680 0.484 1.00 0.00 H new ATOM 0 HG LEU A 21 1.256 3.445 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.345 1.247 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.692 2.096 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.927 2.025 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.966 2.505 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.517 3.364 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.001 4.284 4.064 1.00 0.00 H new ATOM 311 N THR A 22 5.993 3.063 0.590 1.00 0.00 N ATOM 312 CA THR A 22 6.602 2.345 -0.522 1.00 0.00 C ATOM 313 C THR A 22 6.521 0.832 -0.294 1.00 0.00 C ATOM 314 O THR A 22 6.710 0.357 0.826 1.00 0.00 O ATOM 315 CB THR A 22 8.073 2.772 -0.724 1.00 0.00 C ATOM 316 OG1 THR A 22 8.615 3.276 0.503 1.00 0.00 O ATOM 317 CG2 THR A 22 8.190 3.834 -1.806 1.00 0.00 C ATOM 0 H THR A 22 6.252 2.705 1.509 1.00 0.00 H new ATOM 0 HA THR A 22 6.046 2.597 -1.425 1.00 0.00 H new ATOM 0 HB THR A 22 8.637 1.893 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.309 2.719 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.236 4.116 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.809 3.438 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.609 4.711 -1.520 1.00 0.00 H new ATOM 325 N ILE A 23 6.211 0.084 -1.342 1.00 0.00 N ATOM 326 CA ILE A 23 6.098 -1.366 -1.240 1.00 0.00 C ATOM 327 C ILE A 23 6.798 -2.026 -2.420 1.00 0.00 C ATOM 328 O ILE A 23 6.552 -1.655 -3.567 1.00 0.00 O ATOM 329 CB ILE A 23 4.624 -1.830 -1.223 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.845 -1.134 -0.107 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.549 -3.340 -1.052 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.373 -1.469 -0.098 1.00 0.00 C ATOM 0 H ILE A 23 6.033 0.456 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 23 6.567 -1.660 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 23 4.171 -1.558 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.278 -1.411 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.963 -0.055 -0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.505 -3.654 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.066 -3.826 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.022 -3.624 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.884 -0.940 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.925 -1.167 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.245 -2.543 0.037 1.00 0.00 H new ATOM 344 N ASN A 24 7.687 -2.981 -2.129 1.00 0.00 N ATOM 345 CA ASN A 24 8.401 -3.740 -3.167 1.00 0.00 C ATOM 346 C ASN A 24 9.337 -2.826 -3.970 1.00 0.00 C ATOM 347 O ASN A 24 9.852 -3.197 -5.022 1.00 0.00 O ATOM 348 CB ASN A 24 7.391 -4.438 -4.096 1.00 0.00 C ATOM 349 CG ASN A 24 8.020 -5.471 -5.020 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.410 -5.166 -6.146 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.103 -6.709 -4.557 1.00 0.00 N ATOM 0 H ASN A 24 7.932 -3.250 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 24 9.014 -4.499 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.628 -4.924 -3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.885 -3.684 -4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.501 -7.446 -5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.769 -6.926 -3.618 1.00 0.00 H new ATOM 358 N GLY A 25 9.580 -1.633 -3.444 1.00 0.00 N ATOM 359 CA GLY A 25 10.402 -0.669 -4.146 1.00 0.00 C ATOM 360 C GLY A 25 9.577 0.236 -5.035 1.00 0.00 C ATOM 361 O GLY A 25 10.117 1.046 -5.788 1.00 0.00 O ATOM 0 H GLY A 25 9.222 -1.316 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.951 -0.065 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.142 -1.194 -4.750 1.00 0.00 H new ATOM 365 N LYS A 26 8.263 0.085 -4.956 1.00 0.00 N ATOM 366 CA LYS A 26 7.350 0.915 -5.722 1.00 0.00 C ATOM 367 C LYS A 26 6.596 1.852 -4.787 1.00 0.00 C ATOM 368 O LYS A 26 6.125 1.437 -3.727 1.00 0.00 O ATOM 369 CB LYS A 26 6.368 0.044 -6.513 1.00 0.00 C ATOM 370 CG LYS A 26 7.043 -0.887 -7.507 1.00 0.00 C ATOM 371 CD LYS A 26 6.023 -1.701 -8.288 1.00 0.00 C ATOM 372 CE LYS A 26 6.698 -2.609 -9.302 1.00 0.00 C ATOM 373 NZ LYS A 26 5.708 -3.387 -10.095 1.00 0.00 N ATOM 0 H LYS A 26 7.805 -0.609 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 26 7.925 1.510 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.779 -0.550 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.672 0.690 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.651 -0.304 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.718 -1.559 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.429 -2.301 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.334 -1.029 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.311 -2.009 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.369 -3.295 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.208 -3.994 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.139 -3.979 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.084 -2.733 -10.609 1.00 0.00 H new ATOM 387 N GLU A 27 6.500 3.114 -5.171 1.00 0.00 N ATOM 388 CA GLU A 27 5.852 4.110 -4.335 1.00 0.00 C ATOM 389 C GLU A 27 4.339 3.947 -4.372 1.00 0.00 C ATOM 390 O GLU A 27 3.761 3.613 -5.409 1.00 0.00 O ATOM 391 CB GLU A 27 6.243 5.521 -4.778 1.00 0.00 C ATOM 392 CG GLU A 27 5.742 6.608 -3.841 1.00 0.00 C ATOM 393 CD GLU A 27 6.204 7.990 -4.246 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.339 8.367 -3.890 1.00 0.00 O ATOM 395 OE2 GLU A 27 5.433 8.710 -4.915 1.00 0.00 O ATOM 0 H GLU A 27 6.862 3.472 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 27 6.189 3.960 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.329 5.584 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.848 5.703 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.652 6.587 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.087 6.397 -2.829 1.00 0.00 H new ATOM 402 N ILE A 28 3.709 4.161 -3.227 1.00 0.00 N ATOM 403 CA ILE A 28 2.261 4.109 -3.127 1.00 0.00 C ATOM 404 C ILE A 28 1.713 5.520 -2.946 1.00 0.00 C ATOM 405 O ILE A 28 1.740 6.075 -1.844 1.00 0.00 O ATOM 406 CB ILE A 28 1.800 3.215 -1.951 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.456 1.831 -2.038 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.283 3.090 -1.937 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.157 1.074 -3.318 1.00 0.00 C ATOM 0 H ILE A 28 4.183 4.374 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 28 1.875 3.673 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 28 2.113 3.685 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.536 1.948 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.125 1.232 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.022 2.458 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.163 4.078 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.054 2.644 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.660 0.107 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.081 0.921 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.514 1.649 -4.172 1.00 0.00 H new ATOM 421 N SER A 29 1.255 6.109 -4.039 1.00 0.00 N ATOM 422 CA SER A 29 0.772 7.478 -4.021 1.00 0.00 C ATOM 423 C SER A 29 -0.611 7.585 -3.394 1.00 0.00 C ATOM 424 O SER A 29 -1.601 7.082 -3.932 1.00 0.00 O ATOM 425 CB SER A 29 0.761 8.054 -5.430 1.00 0.00 C ATOM 426 OG SER A 29 2.077 8.108 -5.961 1.00 0.00 O ATOM 0 H SER A 29 1.208 5.657 -4.952 1.00 0.00 H new ATOM 0 HA SER A 29 1.457 8.059 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.129 7.442 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.328 9.054 -5.416 1.00 0.00 H new ATOM 0 HG SER A 29 2.049 8.479 -6.868 1.00 0.00 H new ATOM 432 N TYR A 30 -0.649 8.222 -2.237 1.00 0.00 N ATOM 433 CA TYR A 30 -1.894 8.573 -1.585 1.00 0.00 C ATOM 434 C TYR A 30 -2.249 10.004 -1.938 1.00 0.00 C ATOM 435 O TYR A 30 -1.593 10.632 -2.768 1.00 0.00 O ATOM 436 CB TYR A 30 -1.757 8.460 -0.067 1.00 0.00 C ATOM 437 CG TYR A 30 -2.608 7.384 0.564 1.00 0.00 C ATOM 438 CD1 TYR A 30 -3.894 7.663 1.006 1.00 0.00 C ATOM 439 CD2 TYR A 30 -2.117 6.100 0.738 1.00 0.00 C ATOM 440 CE1 TYR A 30 -4.671 6.687 1.602 1.00 0.00 C ATOM 441 CE2 TYR A 30 -2.885 5.120 1.336 1.00 0.00 C ATOM 442 CZ TYR A 30 -4.162 5.418 1.766 1.00 0.00 C ATOM 443 OH TYR A 30 -4.925 4.446 2.369 1.00 0.00 O ATOM 0 H TYR A 30 0.184 8.510 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.673 7.889 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.712 8.268 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.017 9.419 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.294 8.659 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.119 5.862 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.671 6.918 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.488 4.124 1.467 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.780 4.362 1.898 1.00 0.00 H new ATOM 453 N VAL A 31 -3.265 10.526 -1.286 1.00 0.00 N ATOM 454 CA VAL A 31 -3.610 11.923 -1.435 1.00 0.00 C ATOM 455 C VAL A 31 -3.176 12.690 -0.182 1.00 0.00 C ATOM 456 O VAL A 31 -3.844 12.672 0.852 1.00 0.00 O ATOM 457 CB VAL A 31 -5.121 12.119 -1.740 1.00 0.00 C ATOM 458 CG1 VAL A 31 -6.004 11.461 -0.687 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.469 13.592 -1.873 1.00 0.00 C ATOM 0 H VAL A 31 -3.866 10.005 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.075 12.325 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.316 11.628 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.052 11.622 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.798 10.391 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.794 11.898 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.533 13.697 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.233 14.107 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.891 14.030 -2.687 1.00 0.00 H new ATOM 469 N HIS A 32 -2.010 13.317 -0.269 1.00 0.00 N ATOM 470 CA HIS A 32 -1.440 14.032 0.868 1.00 0.00 C ATOM 471 C HIS A 32 -2.156 15.360 1.052 1.00 0.00 C ATOM 472 O HIS A 32 -1.903 16.316 0.315 1.00 0.00 O ATOM 473 CB HIS A 32 0.068 14.257 0.684 1.00 0.00 C ATOM 474 CG HIS A 32 0.893 12.998 0.712 1.00 0.00 C ATOM 475 ND1 HIS A 32 2.260 12.997 0.892 1.00 0.00 N ATOM 476 CD2 HIS A 32 0.540 11.697 0.562 1.00 0.00 C ATOM 477 CE1 HIS A 32 2.709 11.757 0.848 1.00 0.00 C ATOM 478 NE2 HIS A 32 1.686 10.947 0.652 1.00 0.00 N ATOM 0 H HIS A 32 -1.440 13.346 -1.114 1.00 0.00 H new ATOM 0 HA HIS A 32 -1.578 13.423 1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.234 14.764 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.422 14.926 1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.459 11.320 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.741 11.456 0.955 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.738 9.931 0.579 1.00 0.00 H new ATOM 487 N ASP A 33 -3.062 15.395 2.027 1.00 0.00 N ATOM 488 CA ASP A 33 -3.932 16.549 2.259 1.00 0.00 C ATOM 489 C ASP A 33 -4.835 16.760 1.039 1.00 0.00 C ATOM 490 O ASP A 33 -4.883 15.901 0.161 1.00 0.00 O ATOM 491 CB ASP A 33 -3.112 17.807 2.571 1.00 0.00 C ATOM 492 CG ASP A 33 -3.913 18.865 3.305 1.00 0.00 C ATOM 493 OD1 ASP A 33 -4.001 18.793 4.550 1.00 0.00 O ATOM 494 OD2 ASP A 33 -4.450 19.774 2.642 1.00 0.00 O ATOM 0 H ASP A 33 -3.215 14.625 2.679 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.558 16.353 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.246 17.531 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.732 18.227 1.640 1.00 0.00 H new ATOM 499 N ALA A 34 -5.544 17.888 0.985 1.00 0.00 N ATOM 500 CA ALA A 34 -6.503 18.150 -0.089 1.00 0.00 C ATOM 501 C ALA A 34 -7.497 16.998 -0.206 1.00 0.00 C ATOM 502 O ALA A 34 -7.665 16.401 -1.271 1.00 0.00 O ATOM 503 CB ALA A 34 -5.780 18.389 -1.410 1.00 0.00 C ATOM 0 H ALA A 34 -5.472 18.637 1.674 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.060 19.055 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.511 18.582 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.118 19.249 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.194 17.507 -1.669 1.00 0.00 H new ATOM 509 N VAL A 35 -8.165 16.714 0.910 1.00 0.00 N ATOM 510 CA VAL A 35 -9.060 15.562 1.032 1.00 0.00 C ATOM 511 C VAL A 35 -10.195 15.604 0.005 1.00 0.00 C ATOM 512 O VAL A 35 -10.792 14.577 -0.318 1.00 0.00 O ATOM 513 CB VAL A 35 -9.664 15.496 2.448 1.00 0.00 C ATOM 514 CG1 VAL A 35 -10.435 14.200 2.659 1.00 0.00 C ATOM 515 CG2 VAL A 35 -8.583 15.655 3.502 1.00 0.00 C ATOM 0 H VAL A 35 -8.102 17.277 1.758 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.459 14.673 0.842 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.367 16.323 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.849 14.183 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.245 14.136 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.763 13.352 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.032 15.605 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.850 14.855 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.090 16.619 3.375 1.00 0.00 H new ATOM 525 N LYS A 36 -10.480 16.798 -0.507 1.00 0.00 N ATOM 526 CA LYS A 36 -11.504 16.979 -1.539 1.00 0.00 C ATOM 527 C LYS A 36 -11.222 16.122 -2.775 1.00 0.00 C ATOM 528 O LYS A 36 -12.125 15.858 -3.573 1.00 0.00 O ATOM 529 CB LYS A 36 -11.617 18.452 -1.950 1.00 0.00 C ATOM 530 CG LYS A 36 -12.389 19.316 -0.963 1.00 0.00 C ATOM 531 CD LYS A 36 -11.608 19.578 0.310 1.00 0.00 C ATOM 532 CE LYS A 36 -12.425 20.381 1.306 1.00 0.00 C ATOM 533 NZ LYS A 36 -11.647 20.687 2.537 1.00 0.00 N ATOM 0 H LYS A 36 -10.015 17.661 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.450 16.655 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.614 18.863 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.103 18.510 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.639 20.266 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.330 18.826 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.313 18.630 0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.691 20.116 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.752 21.311 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.323 19.824 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.238 21.236 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.356 19.799 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.803 21.240 2.286 1.00 0.00 H new ATOM 547 N ASN A 37 -9.976 15.690 -2.935 1.00 0.00 N ATOM 548 CA ASN A 37 -9.601 14.811 -4.035 1.00 0.00 C ATOM 549 C ASN A 37 -9.938 13.363 -3.687 1.00 0.00 C ATOM 550 O ASN A 37 -9.061 12.497 -3.655 1.00 0.00 O ATOM 551 CB ASN A 37 -8.105 14.928 -4.347 1.00 0.00 C ATOM 552 CG ASN A 37 -7.710 16.298 -4.856 1.00 0.00 C ATOM 553 OD1 ASN A 37 -8.504 17.004 -5.477 1.00 0.00 O ATOM 554 ND2 ASN A 37 -6.474 16.683 -4.593 1.00 0.00 N ATOM 0 H ASN A 37 -9.206 15.936 -2.313 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.165 15.115 -4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.533 14.703 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.835 14.179 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.146 17.596 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.847 16.067 -4.075 1.00 0.00 H new ATOM 561 N LYS A 38 -11.211 13.105 -3.427 1.00 0.00 N ATOM 562 CA LYS A 38 -11.654 11.785 -3.011 1.00 0.00 C ATOM 563 C LYS A 38 -11.831 10.862 -4.213 1.00 0.00 C ATOM 564 O LYS A 38 -12.925 10.740 -4.764 1.00 0.00 O ATOM 565 CB LYS A 38 -12.963 11.882 -2.229 1.00 0.00 C ATOM 566 CG LYS A 38 -13.454 10.549 -1.685 1.00 0.00 C ATOM 567 CD LYS A 38 -14.840 10.656 -1.061 1.00 0.00 C ATOM 568 CE LYS A 38 -15.942 10.811 -2.110 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.949 12.155 -2.756 1.00 0.00 N ATOM 0 H LYS A 38 -11.957 13.797 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.885 11.363 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.829 12.575 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.731 12.305 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.476 9.816 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.749 10.181 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.035 9.767 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.865 11.509 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.816 10.047 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.910 10.635 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.931 12.452 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.485 12.843 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.437 12.108 -3.660 1.00 0.00 H new ATOM 583 N TRP A 39 -10.739 10.239 -4.628 1.00 0.00 N ATOM 584 CA TRP A 39 -10.769 9.279 -5.726 1.00 0.00 C ATOM 585 C TRP A 39 -10.068 7.996 -5.303 1.00 0.00 C ATOM 586 O TRP A 39 -9.678 7.183 -6.143 1.00 0.00 O ATOM 587 CB TRP A 39 -10.089 9.861 -6.972 1.00 0.00 C ATOM 588 CG TRP A 39 -10.686 11.160 -7.430 1.00 0.00 C ATOM 589 CD1 TRP A 39 -10.149 12.405 -7.279 1.00 0.00 C ATOM 590 CD2 TRP A 39 -11.939 11.341 -8.104 1.00 0.00 C ATOM 591 NE1 TRP A 39 -10.986 13.349 -7.820 1.00 0.00 N ATOM 592 CE2 TRP A 39 -12.093 12.722 -8.333 1.00 0.00 C ATOM 593 CE3 TRP A 39 -12.943 10.472 -8.541 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -13.212 13.251 -8.974 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -14.053 10.998 -9.177 1.00 0.00 C ATOM 596 CH2 TRP A 39 -14.177 12.376 -9.391 1.00 0.00 C ATOM 0 H TRP A 39 -9.815 10.381 -4.220 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.808 9.060 -5.972 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -9.030 10.011 -6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -10.153 9.135 -7.783 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -9.203 12.617 -6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.813 14.354 -7.838 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -12.853 9.407 -8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -13.313 14.314 -9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -14.836 10.335 -9.514 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -15.053 12.756 -9.896 1.00 0.00 H new ATOM 607 N SER A 40 -9.949 7.817 -3.984 1.00 0.00 N ATOM 608 CA SER A 40 -9.175 6.722 -3.399 1.00 0.00 C ATOM 609 C SER A 40 -7.687 6.911 -3.701 1.00 0.00 C ATOM 610 O SER A 40 -7.298 7.890 -4.343 1.00 0.00 O ATOM 611 CB SER A 40 -9.655 5.361 -3.914 1.00 0.00 C ATOM 612 OG SER A 40 -11.061 5.217 -3.765 1.00 0.00 O ATOM 0 H SER A 40 -10.387 8.427 -3.294 1.00 0.00 H new ATOM 0 HA SER A 40 -9.326 6.741 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.386 5.252 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.146 4.565 -3.371 1.00 0.00 H new ATOM 0 HG SER A 40 -11.360 4.416 -4.244 1.00 0.00 H new ATOM 618 N SER A 41 -6.854 6.006 -3.203 1.00 0.00 N ATOM 619 CA SER A 41 -5.447 6.017 -3.524 1.00 0.00 C ATOM 620 C SER A 41 -5.254 5.658 -5.002 1.00 0.00 C ATOM 621 O SER A 41 -4.957 6.530 -5.824 1.00 0.00 O ATOM 622 CB SER A 41 -4.731 5.026 -2.613 1.00 0.00 C ATOM 623 OG SER A 41 -5.305 5.040 -1.314 1.00 0.00 O ATOM 0 H SER A 41 -7.138 5.255 -2.573 1.00 0.00 H new ATOM 0 HA SER A 41 -5.025 7.009 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.796 4.023 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.672 5.278 -2.552 1.00 0.00 H new ATOM 0 HG SER A 41 -4.601 5.183 -0.647 1.00 0.00 H new ATOM 629 N ARG A 42 -5.432 4.370 -5.324 1.00 0.00 N ATOM 630 CA ARG A 42 -5.470 3.895 -6.710 1.00 0.00 C ATOM 631 C ARG A 42 -5.524 2.373 -6.758 1.00 0.00 C ATOM 632 O ARG A 42 -6.450 1.794 -7.319 1.00 0.00 O ATOM 633 CB ARG A 42 -4.262 4.369 -7.523 1.00 0.00 C ATOM 634 CG ARG A 42 -4.293 3.878 -8.962 1.00 0.00 C ATOM 635 CD ARG A 42 -3.113 4.383 -9.768 1.00 0.00 C ATOM 636 NE ARG A 42 -3.173 5.819 -10.006 1.00 0.00 N ATOM 637 CZ ARG A 42 -3.042 6.372 -11.211 1.00 0.00 C ATOM 638 NH1 ARG A 42 -2.859 5.608 -12.285 1.00 0.00 N ATOM 639 NH2 ARG A 42 -3.095 7.690 -11.347 1.00 0.00 N ATOM 0 H ARG A 42 -5.553 3.631 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.372 4.318 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.230 5.458 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.347 4.020 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.297 2.788 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.219 4.204 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.189 4.144 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.080 3.861 -10.724 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.323 6.434 -9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.818 4.593 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.759 6.037 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.236 8.282 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.995 8.112 -12.270 1.00 0.00 H new ATOM 653 N TYR A 43 -4.515 1.742 -6.156 1.00 0.00 N ATOM 654 CA TYR A 43 -4.342 0.287 -6.222 1.00 0.00 C ATOM 655 C TYR A 43 -5.589 -0.457 -5.748 1.00 0.00 C ATOM 656 O TYR A 43 -5.998 -1.447 -6.352 1.00 0.00 O ATOM 657 CB TYR A 43 -3.132 -0.140 -5.384 1.00 0.00 C ATOM 658 CG TYR A 43 -1.836 0.523 -5.798 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.012 -0.053 -6.755 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.434 1.726 -5.226 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.174 0.549 -7.132 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.252 2.333 -5.599 1.00 0.00 C ATOM 663 CZ TYR A 43 0.549 1.740 -6.551 1.00 0.00 C ATOM 664 OH TYR A 43 1.730 2.344 -6.924 1.00 0.00 O ATOM 0 H TYR A 43 -3.797 2.220 -5.611 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.174 0.025 -7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.328 0.090 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.015 -1.221 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.302 -0.987 -7.213 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.057 2.193 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.803 0.088 -7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.044 3.268 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 43 2.198 2.667 -6.126 1.00 0.00 H new ATOM 674 N LEU A 44 -6.181 0.020 -4.663 1.00 0.00 N ATOM 675 CA LEU A 44 -7.385 -0.593 -4.117 1.00 0.00 C ATOM 676 C LEU A 44 -8.512 0.430 -4.015 1.00 0.00 C ATOM 677 O LEU A 44 -8.659 1.100 -2.994 1.00 0.00 O ATOM 678 CB LEU A 44 -7.127 -1.225 -2.740 1.00 0.00 C ATOM 679 CG LEU A 44 -6.422 -2.589 -2.744 1.00 0.00 C ATOM 680 CD1 LEU A 44 -4.951 -2.454 -3.098 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.582 -3.268 -1.393 1.00 0.00 C ATOM 0 H LEU A 44 -5.847 0.831 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.683 -1.386 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.528 -0.531 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.083 -1.335 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.892 -3.206 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.483 -3.439 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.855 -2.013 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.458 -1.813 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.078 -4.234 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.142 -2.642 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.641 -3.415 -1.183 1.00 0.00 H new ATOM 693 N PRO A 45 -9.290 0.606 -5.093 1.00 0.00 N ATOM 694 CA PRO A 45 -10.440 1.510 -5.094 1.00 0.00 C ATOM 695 C PRO A 45 -11.667 0.878 -4.438 1.00 0.00 C ATOM 696 O PRO A 45 -11.752 -0.346 -4.326 1.00 0.00 O ATOM 697 CB PRO A 45 -10.683 1.746 -6.583 1.00 0.00 C ATOM 698 CG PRO A 45 -10.239 0.482 -7.240 1.00 0.00 C ATOM 699 CD PRO A 45 -9.113 -0.062 -6.399 1.00 0.00 C ATOM 0 HA PRO A 45 -10.257 2.423 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.734 1.951 -6.786 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.116 2.603 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.059 -0.233 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.905 0.671 -8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.173 -1.146 -6.304 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.141 0.167 -6.836 1.00 0.00 H new ATOM 707 N TYR A 46 -12.601 1.722 -3.993 1.00 0.00 N ATOM 708 CA TYR A 46 -13.846 1.258 -3.372 1.00 0.00 C ATOM 709 C TYR A 46 -13.569 0.386 -2.148 1.00 0.00 C ATOM 710 O TYR A 46 -14.272 -0.593 -1.892 1.00 0.00 O ATOM 711 CB TYR A 46 -14.704 0.491 -4.387 1.00 0.00 C ATOM 712 CG TYR A 46 -15.353 1.371 -5.430 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.706 1.666 -6.623 1.00 0.00 C ATOM 714 CD2 TYR A 46 -16.617 1.907 -5.221 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.299 2.469 -7.577 1.00 0.00 C ATOM 716 CE2 TYR A 46 -17.217 2.710 -6.171 1.00 0.00 C ATOM 717 CZ TYR A 46 -16.555 2.988 -7.346 1.00 0.00 C ATOM 718 OH TYR A 46 -17.149 3.787 -8.297 1.00 0.00 O ATOM 0 H TYR A 46 -12.518 2.737 -4.051 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.396 2.139 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.081 -0.250 -4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.481 -0.055 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.722 1.260 -6.808 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -17.139 1.692 -4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.782 2.689 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -18.201 3.118 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.032 4.070 -7.981 1.00 0.00 H new ATOM 728 N THR A 47 -12.560 0.759 -1.383 1.00 0.00 N ATOM 729 CA THR A 47 -12.194 0.020 -0.189 1.00 0.00 C ATOM 730 C THR A 47 -12.442 0.854 1.066 1.00 0.00 C ATOM 731 O THR A 47 -12.732 2.049 0.977 1.00 0.00 O ATOM 732 CB THR A 47 -10.722 -0.401 -0.249 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.939 0.692 -0.737 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.536 -1.611 -1.150 1.00 0.00 C ATOM 0 H THR A 47 -11.976 1.574 -1.569 1.00 0.00 H new ATOM 0 HA THR A 47 -12.818 -0.872 -0.143 1.00 0.00 H new ATOM 0 HB THR A 47 -10.396 -0.673 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.366 1.031 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.482 -1.888 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.122 -2.445 -0.764 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.871 -1.368 -2.159 1.00 0.00 H new ATOM 742 N GLN A 48 -12.327 0.227 2.229 1.00 0.00 N ATOM 743 CA GLN A 48 -12.583 0.910 3.485 1.00 0.00 C ATOM 744 C GLN A 48 -11.395 0.777 4.439 1.00 0.00 C ATOM 745 O GLN A 48 -11.095 -0.309 4.934 1.00 0.00 O ATOM 746 CB GLN A 48 -13.875 0.384 4.123 1.00 0.00 C ATOM 747 CG GLN A 48 -13.956 -1.135 4.191 1.00 0.00 C ATOM 748 CD GLN A 48 -15.324 -1.629 4.625 1.00 0.00 C ATOM 749 OE1 GLN A 48 -16.036 -0.953 5.373 1.00 0.00 O ATOM 750 NE2 GLN A 48 -15.709 -2.806 4.152 1.00 0.00 N ATOM 0 H GLN A 48 -12.058 -0.752 2.326 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.714 1.972 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.961 0.788 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.727 0.758 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.717 -1.552 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.203 -1.504 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.092 -3.335 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.623 -3.183 4.404 1.00 0.00 H new ATOM 759 N TYR A 49 -10.711 1.895 4.662 1.00 0.00 N ATOM 760 CA TYR A 49 -9.571 1.950 5.568 1.00 0.00 C ATOM 761 C TYR A 49 -9.269 3.390 5.970 1.00 0.00 C ATOM 762 O TYR A 49 -9.862 4.332 5.436 1.00 0.00 O ATOM 763 CB TYR A 49 -8.327 1.304 4.934 1.00 0.00 C ATOM 764 CG TYR A 49 -8.087 1.676 3.484 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.970 3.003 3.086 1.00 0.00 C ATOM 766 CD2 TYR A 49 -7.973 0.691 2.515 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.751 3.333 1.762 1.00 0.00 C ATOM 768 CE2 TYR A 49 -7.752 1.013 1.192 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.642 2.335 0.819 1.00 0.00 C ATOM 770 OH TYR A 49 -7.430 2.658 -0.506 1.00 0.00 O ATOM 0 H TYR A 49 -10.932 2.787 4.220 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.832 1.385 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.451 1.587 5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.421 0.220 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.052 3.788 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.059 -0.347 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.666 4.369 1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.666 0.232 0.451 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.929 2.038 -1.078 1.00 0.00 H new ATOM 780 N ASP A 50 -8.364 3.559 6.927 1.00 0.00 N ATOM 781 CA ASP A 50 -7.957 4.893 7.364 1.00 0.00 C ATOM 782 C ASP A 50 -6.482 4.915 7.781 1.00 0.00 C ATOM 783 O ASP A 50 -5.937 5.964 8.118 1.00 0.00 O ATOM 784 CB ASP A 50 -8.846 5.352 8.528 1.00 0.00 C ATOM 785 CG ASP A 50 -8.642 6.809 8.907 1.00 0.00 C ATOM 786 OD1 ASP A 50 -8.909 7.692 8.063 1.00 0.00 O ATOM 787 OD2 ASP A 50 -8.235 7.078 10.059 1.00 0.00 O ATOM 0 H ASP A 50 -7.899 2.794 7.415 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.077 5.580 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.891 5.197 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.644 4.727 9.398 1.00 0.00 H new ATOM 792 N SER A 51 -5.827 3.759 7.726 1.00 0.00 N ATOM 793 CA SER A 51 -4.450 3.650 8.180 1.00 0.00 C ATOM 794 C SER A 51 -3.519 3.322 7.018 1.00 0.00 C ATOM 795 O SER A 51 -3.903 2.610 6.087 1.00 0.00 O ATOM 796 CB SER A 51 -4.343 2.573 9.266 1.00 0.00 C ATOM 797 OG SER A 51 -3.005 2.416 9.714 1.00 0.00 O ATOM 0 H SER A 51 -6.228 2.890 7.373 1.00 0.00 H new ATOM 0 HA SER A 51 -4.146 4.610 8.597 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.981 2.840 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.711 1.624 8.876 1.00 0.00 H new ATOM 0 HG SER A 51 -2.971 1.724 10.407 1.00 0.00 H new ATOM 803 N LEU A 52 -2.299 3.841 7.084 1.00 0.00 N ATOM 804 CA LEU A 52 -1.297 3.584 6.057 1.00 0.00 C ATOM 805 C LEU A 52 -0.840 2.133 6.112 1.00 0.00 C ATOM 806 O LEU A 52 -0.611 1.505 5.079 1.00 0.00 O ATOM 807 CB LEU A 52 -0.084 4.514 6.224 1.00 0.00 C ATOM 808 CG LEU A 52 -0.276 5.973 5.777 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.760 6.035 4.335 1.00 0.00 C ATOM 810 CD2 LEU A 52 -1.236 6.717 6.699 1.00 0.00 C ATOM 0 H LEU A 52 -1.979 4.445 7.841 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.755 3.780 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.205 4.514 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.750 4.092 5.664 1.00 0.00 H new ATOM 0 HG LEU A 52 0.693 6.468 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.889 7.076 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.025 5.561 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.712 5.512 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.349 7.745 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.207 6.222 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.839 6.716 7.714 1.00 0.00 H new ATOM 822 N LEU A 53 -0.724 1.606 7.325 1.00 0.00 N ATOM 823 CA LEU A 53 -0.299 0.238 7.536 1.00 0.00 C ATOM 824 C LEU A 53 -1.311 -0.738 6.957 1.00 0.00 C ATOM 825 O LEU A 53 -0.948 -1.694 6.269 1.00 0.00 O ATOM 826 CB LEU A 53 -0.129 -0.020 9.032 1.00 0.00 C ATOM 827 CG LEU A 53 1.232 0.345 9.629 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.347 -0.405 8.919 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.473 1.847 9.566 1.00 0.00 C ATOM 0 H LEU A 53 -0.923 2.118 8.185 1.00 0.00 H new ATOM 0 HA LEU A 53 0.653 0.087 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.898 0.538 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.314 -1.078 9.221 1.00 0.00 H new ATOM 0 HG LEU A 53 1.229 0.048 10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.306 -0.132 9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.191 -1.478 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.345 -0.144 7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.447 2.078 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.449 2.176 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.696 2.364 10.129 1.00 0.00 H new ATOM 841 N ASP A 54 -2.581 -0.480 7.239 1.00 0.00 N ATOM 842 CA ASP A 54 -3.669 -1.328 6.768 1.00 0.00 C ATOM 843 C ASP A 54 -3.666 -1.390 5.246 1.00 0.00 C ATOM 844 O ASP A 54 -3.735 -2.468 4.658 1.00 0.00 O ATOM 845 CB ASP A 54 -5.014 -0.782 7.267 1.00 0.00 C ATOM 846 CG ASP A 54 -6.141 -1.794 7.148 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.731 -1.911 6.060 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.445 -2.469 8.155 1.00 0.00 O ATOM 0 H ASP A 54 -2.885 0.318 7.797 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.526 -2.334 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.913 -0.478 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.272 0.111 6.698 1.00 0.00 H new ATOM 853 N LEU A 55 -3.550 -0.222 4.620 1.00 0.00 N ATOM 854 CA LEU A 55 -3.524 -0.114 3.165 1.00 0.00 C ATOM 855 C LEU A 55 -2.321 -0.860 2.589 1.00 0.00 C ATOM 856 O LEU A 55 -2.459 -1.643 1.646 1.00 0.00 O ATOM 857 CB LEU A 55 -3.499 1.374 2.764 1.00 0.00 C ATOM 858 CG LEU A 55 -3.490 1.697 1.257 1.00 0.00 C ATOM 859 CD1 LEU A 55 -2.077 1.664 0.695 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.388 0.743 0.483 1.00 0.00 C ATOM 0 H LEU A 55 -3.472 0.672 5.105 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.422 -0.575 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.369 1.858 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.616 1.830 3.213 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.882 2.707 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.103 1.896 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.463 2.401 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.651 0.671 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.360 0.997 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.037 -0.280 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.411 0.828 0.850 1.00 0.00 H new ATOM 872 N ALA A 56 -1.148 -0.617 3.164 1.00 0.00 N ATOM 873 CA ALA A 56 0.086 -1.236 2.685 1.00 0.00 C ATOM 874 C ALA A 56 -0.028 -2.754 2.682 1.00 0.00 C ATOM 875 O ALA A 56 0.324 -3.419 1.705 1.00 0.00 O ATOM 876 CB ALA A 56 1.270 -0.797 3.534 1.00 0.00 C ATOM 0 H ALA A 56 -1.024 0.005 3.963 1.00 0.00 H new ATOM 0 HA ALA A 56 0.250 -0.905 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.179 -1.269 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.375 0.287 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.105 -1.094 4.570 1.00 0.00 H new ATOM 882 N ARG A 57 -0.540 -3.294 3.776 1.00 0.00 N ATOM 883 CA ARG A 57 -0.709 -4.733 3.909 1.00 0.00 C ATOM 884 C ARG A 57 -1.844 -5.238 3.025 1.00 0.00 C ATOM 885 O ARG A 57 -1.787 -6.357 2.519 1.00 0.00 O ATOM 886 CB ARG A 57 -0.958 -5.089 5.373 1.00 0.00 C ATOM 887 CG ARG A 57 0.218 -4.739 6.269 1.00 0.00 C ATOM 888 CD ARG A 57 -0.133 -4.849 7.742 1.00 0.00 C ATOM 889 NE ARG A 57 1.007 -4.494 8.589 1.00 0.00 N ATOM 890 CZ ARG A 57 0.916 -4.166 9.873 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.261 -4.159 10.490 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.014 -3.829 10.536 1.00 0.00 N ATOM 0 H ARG A 57 -0.847 -2.757 4.587 1.00 0.00 H new ATOM 0 HA ARG A 57 0.206 -5.224 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.846 -4.564 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.166 -6.156 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.053 -5.402 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.550 -3.724 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.974 -4.193 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.453 -5.867 7.967 1.00 0.00 H new ATOM 0 HE ARG A 57 1.934 -4.499 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.107 -4.407 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.318 -3.905 11.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.916 -3.824 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.957 -3.575 11.522 1.00 0.00 H new ATOM 906 N ALA A 58 -2.864 -4.411 2.834 1.00 0.00 N ATOM 907 CA ALA A 58 -3.992 -4.763 1.979 1.00 0.00 C ATOM 908 C ALA A 58 -3.551 -4.940 0.532 1.00 0.00 C ATOM 909 O ALA A 58 -4.072 -5.800 -0.182 1.00 0.00 O ATOM 910 CB ALA A 58 -5.084 -3.708 2.073 1.00 0.00 C ATOM 0 H ALA A 58 -2.934 -3.488 3.262 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.393 -5.714 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.917 -3.988 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.431 -3.635 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.687 -2.744 1.755 1.00 0.00 H new ATOM 916 N ILE A 59 -2.586 -4.132 0.102 1.00 0.00 N ATOM 917 CA ILE A 59 -2.082 -4.213 -1.263 1.00 0.00 C ATOM 918 C ILE A 59 -1.427 -5.569 -1.513 1.00 0.00 C ATOM 919 O ILE A 59 -1.763 -6.252 -2.476 1.00 0.00 O ATOM 920 CB ILE A 59 -1.073 -3.087 -1.571 1.00 0.00 C ATOM 921 CG1 ILE A 59 -1.749 -1.718 -1.442 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.481 -3.259 -2.963 1.00 0.00 C ATOM 923 CD1 ILE A 59 -0.842 -0.553 -1.770 1.00 0.00 C ATOM 0 H ILE A 59 -2.140 -3.417 0.677 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.937 -4.094 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.261 -3.145 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.616 -1.688 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.120 -1.601 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.228 -2.454 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.033 -4.218 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.279 -3.228 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.393 0.381 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.013 -0.555 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.491 -0.643 -2.798 1.00 0.00 H new ATOM 935 N ILE A 60 -0.526 -5.976 -0.624 1.00 0.00 N ATOM 936 CA ILE A 60 0.129 -7.273 -0.754 1.00 0.00 C ATOM 937 C ILE A 60 -0.900 -8.391 -0.611 1.00 0.00 C ATOM 938 O ILE A 60 -0.837 -9.413 -1.295 1.00 0.00 O ATOM 939 CB ILE A 60 1.273 -7.456 0.271 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.348 -6.398 0.030 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.866 -8.855 0.159 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.526 -6.496 0.976 1.00 0.00 C ATOM 0 H ILE A 60 -0.235 -5.432 0.188 1.00 0.00 H new ATOM 0 HA ILE A 60 0.579 -7.318 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 60 0.875 -7.335 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.709 -6.487 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.899 -5.409 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.670 -8.969 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.091 -9.596 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.262 -9.003 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.246 -5.712 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.179 -6.376 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.002 -7.471 0.865 1.00 0.00 H new ATOM 954 N ARG A 61 -1.848 -8.171 0.288 1.00 0.00 N ATOM 955 CA ARG A 61 -2.923 -9.121 0.551 1.00 0.00 C ATOM 956 C ARG A 61 -3.747 -9.412 -0.711 1.00 0.00 C ATOM 957 O ARG A 61 -4.193 -10.543 -0.914 1.00 0.00 O ATOM 958 CB ARG A 61 -3.820 -8.559 1.656 1.00 0.00 C ATOM 959 CG ARG A 61 -4.942 -9.478 2.106 1.00 0.00 C ATOM 960 CD ARG A 61 -5.755 -8.824 3.212 1.00 0.00 C ATOM 961 NE ARG A 61 -6.848 -9.669 3.685 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.676 -9.328 4.672 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.538 -8.161 5.289 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.645 -10.149 5.040 1.00 0.00 N ATOM 0 H ARG A 61 -1.895 -7.327 0.858 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.483 -10.066 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.199 -8.319 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.256 -7.623 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.589 -9.712 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.527 -10.421 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.097 -8.586 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.162 -7.881 2.848 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.986 -10.573 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.796 -7.520 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.174 -7.905 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.760 -11.046 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.277 -9.885 5.796 1.00 0.00 H new ATOM 978 N ASP A 62 -3.942 -8.409 -1.564 1.00 0.00 N ATOM 979 CA ASP A 62 -4.782 -8.590 -2.752 1.00 0.00 C ATOM 980 C ASP A 62 -3.962 -8.792 -4.022 1.00 0.00 C ATOM 981 O ASP A 62 -4.415 -9.433 -4.973 1.00 0.00 O ATOM 982 CB ASP A 62 -5.735 -7.405 -2.925 1.00 0.00 C ATOM 983 CG ASP A 62 -6.679 -7.587 -4.099 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.589 -8.441 -4.007 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.527 -6.880 -5.114 1.00 0.00 O ATOM 0 H ASP A 62 -3.539 -7.478 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.362 -9.499 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.316 -7.274 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.155 -6.493 -3.067 1.00 0.00 H new ATOM 990 N THR A 63 -2.754 -8.271 -4.031 1.00 0.00 N ATOM 991 CA THR A 63 -1.884 -8.406 -5.191 1.00 0.00 C ATOM 992 C THR A 63 -0.532 -8.996 -4.794 1.00 0.00 C ATOM 993 O THR A 63 0.191 -8.435 -3.970 1.00 0.00 O ATOM 994 CB THR A 63 -1.683 -7.063 -5.935 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.255 -6.036 -5.035 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.966 -6.623 -6.626 1.00 0.00 C ATOM 0 H THR A 63 -2.348 -7.751 -3.253 1.00 0.00 H new ATOM 0 HA THR A 63 -2.382 -9.090 -5.878 1.00 0.00 H new ATOM 0 HB THR A 63 -0.910 -7.223 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.150 -6.412 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.796 -5.677 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.268 -7.381 -7.349 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.754 -6.496 -5.884 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.197 -10.131 -5.395 1.00 0.00 N ATOM 1005 CA VAL A 64 1.009 -10.874 -5.037 1.00 0.00 C ATOM 1006 C VAL A 64 2.253 -10.312 -5.718 1.00 0.00 C ATOM 1007 O VAL A 64 3.378 -10.661 -5.357 1.00 0.00 O ATOM 1008 CB VAL A 64 0.873 -12.370 -5.391 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.157 -13.042 -4.494 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.500 -12.544 -6.857 1.00 0.00 C ATOM 0 H VAL A 64 -0.747 -10.561 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 64 1.124 -10.766 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 64 1.838 -12.849 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.238 -14.096 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.154 -12.953 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.125 -12.559 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.409 -13.606 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.451 -12.048 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.274 -12.103 -7.484 1.00 0.00 H new ATOM 1020 N GLU A 65 2.051 -9.431 -6.688 1.00 0.00 N ATOM 1021 CA GLU A 65 3.161 -8.836 -7.428 1.00 0.00 C ATOM 1022 C GLU A 65 3.965 -7.856 -6.577 1.00 0.00 C ATOM 1023 O GLU A 65 4.952 -7.288 -7.042 1.00 0.00 O ATOM 1024 CB GLU A 65 2.653 -8.129 -8.684 1.00 0.00 C ATOM 1025 CG GLU A 65 2.289 -9.083 -9.806 1.00 0.00 C ATOM 1026 CD GLU A 65 3.461 -9.944 -10.214 1.00 0.00 C ATOM 1027 OE1 GLU A 65 4.422 -9.406 -10.803 1.00 0.00 O ATOM 1028 OE2 GLU A 65 3.433 -11.164 -9.950 1.00 0.00 O ATOM 0 H GLU A 65 1.129 -9.111 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 65 3.824 -9.653 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.778 -7.531 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.418 -7.438 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.464 -9.720 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.939 -8.514 -10.667 1.00 0.00 H new ATOM 1035 N PHE A 66 3.541 -7.648 -5.341 1.00 0.00 N ATOM 1036 CA PHE A 66 4.281 -6.797 -4.426 1.00 0.00 C ATOM 1037 C PHE A 66 5.157 -7.636 -3.503 1.00 0.00 C ATOM 1038 O PHE A 66 5.838 -7.111 -2.619 1.00 0.00 O ATOM 1039 CB PHE A 66 3.330 -5.902 -3.632 1.00 0.00 C ATOM 1040 CG PHE A 66 2.793 -4.759 -4.446 1.00 0.00 C ATOM 1041 CD1 PHE A 66 1.737 -4.944 -5.324 1.00 0.00 C ATOM 1042 CD2 PHE A 66 3.353 -3.497 -4.336 1.00 0.00 C ATOM 1043 CE1 PHE A 66 1.250 -3.890 -6.076 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.871 -2.441 -5.086 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.817 -2.637 -5.955 1.00 0.00 C ATOM 0 H PHE A 66 2.692 -8.055 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 66 4.936 -6.149 -5.008 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.498 -6.501 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.852 -5.508 -2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.289 -5.922 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.176 -3.336 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.427 -4.047 -6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.319 -1.463 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.437 -1.812 -6.539 1.00 0.00 H new ATOM 1055 N SER A 67 5.152 -8.942 -3.726 1.00 0.00 N ATOM 1056 CA SER A 67 6.053 -9.839 -3.024 1.00 0.00 C ATOM 1057 C SER A 67 7.382 -9.889 -3.781 1.00 0.00 C ATOM 1058 O SER A 67 7.420 -9.614 -4.982 1.00 0.00 O ATOM 1059 CB SER A 67 5.431 -11.237 -2.911 1.00 0.00 C ATOM 1060 OG SER A 67 6.184 -12.083 -2.053 1.00 0.00 O ATOM 0 H SER A 67 4.531 -9.404 -4.390 1.00 0.00 H new ATOM 0 HA SER A 67 6.229 -9.474 -2.012 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.412 -11.152 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.368 -11.688 -3.901 1.00 0.00 H new ATOM 0 HG SER A 67 5.654 -12.296 -1.256 1.00 0.00 H new ATOM 1066 N GLY A 68 8.466 -10.211 -3.082 1.00 0.00 N ATOM 1067 CA GLY A 68 9.784 -10.213 -3.699 1.00 0.00 C ATOM 1068 C GLY A 68 9.991 -11.372 -4.655 1.00 0.00 C ATOM 1069 O GLY A 68 9.495 -11.356 -5.782 1.00 0.00 O ATOM 0 H GLY A 68 8.457 -10.472 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.928 -9.276 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.544 -10.253 -2.919 1.00 0.00 H new ATOM 1073 N VAL A 69 10.722 -12.382 -4.205 1.00 0.00 N ATOM 1074 CA VAL A 69 11.013 -13.542 -5.034 1.00 0.00 C ATOM 1075 C VAL A 69 9.806 -14.474 -5.076 1.00 0.00 C ATOM 1076 O VAL A 69 9.533 -15.200 -4.115 1.00 0.00 O ATOM 1077 CB VAL A 69 12.247 -14.310 -4.518 1.00 0.00 C ATOM 1078 CG1 VAL A 69 12.604 -15.451 -5.455 1.00 0.00 C ATOM 1079 CG2 VAL A 69 13.428 -13.367 -4.354 1.00 0.00 C ATOM 0 H VAL A 69 11.125 -12.421 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 69 11.232 -13.184 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 69 12.002 -14.734 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.477 -15.978 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.764 -16.142 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.827 -15.053 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.291 -13.924 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.669 -12.915 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.173 -12.585 -3.639 1.00 0.00 H new ATOM 1089 N LYS A 70 9.085 -14.447 -6.187 1.00 0.00 N ATOM 1090 CA LYS A 70 7.835 -15.179 -6.303 1.00 0.00 C ATOM 1091 C LYS A 70 7.879 -16.241 -7.393 1.00 0.00 C ATOM 1092 O LYS A 70 7.737 -15.940 -8.580 1.00 0.00 O ATOM 1093 CB LYS A 70 6.678 -14.215 -6.571 1.00 0.00 C ATOM 1094 CG LYS A 70 5.835 -13.917 -5.344 1.00 0.00 C ATOM 1095 CD LYS A 70 5.131 -15.172 -4.840 1.00 0.00 C ATOM 1096 CE LYS A 70 4.162 -14.853 -3.713 1.00 0.00 C ATOM 1097 NZ LYS A 70 3.386 -16.047 -3.279 1.00 0.00 N ATOM 0 H LYS A 70 9.346 -13.924 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 70 7.680 -15.690 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.079 -13.280 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.038 -14.636 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.468 -13.510 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.095 -13.154 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.592 -15.643 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.872 -15.891 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.716 -14.454 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.473 -14.074 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.739 -15.780 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.836 -16.414 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.040 -16.782 -2.942 1.00 0.00 H new ATOM 1111 N GLU A 71 8.086 -17.481 -6.976 1.00 0.00 N ATOM 1112 CA GLU A 71 7.899 -18.621 -7.855 1.00 0.00 C ATOM 1113 C GLU A 71 6.470 -19.120 -7.706 1.00 0.00 C ATOM 1114 O GLU A 71 5.879 -19.659 -8.643 1.00 0.00 O ATOM 1115 CB GLU A 71 8.889 -19.747 -7.533 1.00 0.00 C ATOM 1116 CG GLU A 71 10.277 -19.553 -8.128 1.00 0.00 C ATOM 1117 CD GLU A 71 11.021 -18.371 -7.542 1.00 0.00 C ATOM 1118 OE1 GLU A 71 11.620 -18.522 -6.457 1.00 0.00 O ATOM 1119 OE2 GLU A 71 11.019 -17.292 -8.166 1.00 0.00 O ATOM 0 H GLU A 71 8.384 -17.722 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 71 8.085 -18.309 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.980 -19.836 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.480 -20.689 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.863 -20.458 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.187 -19.418 -9.206 1.00 0.00 H new ATOM 1126 N GLY A 72 5.918 -18.920 -6.511 1.00 0.00 N ATOM 1127 CA GLY A 72 4.529 -19.253 -6.263 1.00 0.00 C ATOM 1128 C GLY A 72 4.318 -20.721 -5.951 1.00 0.00 C ATOM 1129 O GLY A 72 5.282 -21.480 -5.840 1.00 0.00 O ATOM 0 H GLY A 72 6.413 -18.531 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.161 -18.654 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.935 -18.984 -7.137 1.00 0.00 H new ATOM 1133 N SER A 73 3.051 -21.101 -5.795 1.00 0.00 N ATOM 1134 CA SER A 73 2.661 -22.487 -5.555 1.00 0.00 C ATOM 1135 C SER A 73 3.214 -22.999 -4.223 1.00 0.00 C ATOM 1136 O SER A 73 4.178 -23.797 -4.230 1.00 0.00 O ATOM 1137 CB SER A 73 3.119 -23.376 -6.715 1.00 0.00 C ATOM 1138 OG SER A 73 2.554 -22.939 -7.944 1.00 0.00 O ATOM 1139 OXT SER A 73 2.679 -22.600 -3.166 1.00 0.00 O ATOM 0 H SER A 73 2.264 -20.453 -5.832 1.00 0.00 H new ATOM 0 HA SER A 73 1.573 -22.527 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.207 -23.359 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.828 -24.409 -6.523 1.00 0.00 H new ATOM 0 HG SER A 73 2.862 -23.520 -8.671 1.00 0.00 H new TER 1145 SER A 73