USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= -0.0691 (180deg=-0.362) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.779 F(o=-1.9,f=-0.78) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= -0.0102 (180deg=-0.323) USER MOD Single : A 15 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.291 X(o=0.29,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.034 (180deg=-0.237) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -1.37 (180deg=-2.58!) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.977 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 161:sc= 0.0237 USER MOD Single : A 56 GLN : amide:sc= 1.11 K(o=1.1,f=-2.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.0954 (180deg=-0.424) USER MOD Single : A 64 ASN : amide:sc= -3.1 K(o=-3.1,f=-4.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.023 -0.556 0.332 1.00 0.00 N ATOM 2 CA LEU A 1 1.921 -0.477 -0.815 1.00 0.00 C ATOM 3 C LEU A 1 1.405 -1.328 -1.971 1.00 0.00 C ATOM 4 O LEU A 1 0.860 -2.412 -1.763 1.00 0.00 O ATOM 5 CB LEU A 1 3.327 -0.932 -0.419 1.00 0.00 C ATOM 6 CG LEU A 1 4.445 0.092 -0.617 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.649 0.380 -2.097 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.133 1.375 0.139 1.00 0.00 C ATOM 0 H1 LEU A 1 1.395 0.031 1.105 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.080 -0.212 0.059 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.952 -1.544 0.650 1.00 0.00 H new ATOM 0 HA LEU A 1 1.961 0.562 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.310 -1.223 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.573 -1.825 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 1 5.369 -0.326 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.448 1.111 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.918 -0.541 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.727 0.777 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.939 2.092 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.198 1.796 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.038 1.157 1.203 1.00 0.00 H new ATOM 20 N THR A 2 1.583 -0.830 -3.191 1.00 0.00 N ATOM 21 CA THR A 2 1.136 -1.544 -4.380 1.00 0.00 C ATOM 22 C THR A 2 2.288 -2.300 -5.032 1.00 0.00 C ATOM 23 O THR A 2 3.324 -1.717 -5.353 1.00 0.00 O ATOM 24 CB THR A 2 0.517 -0.584 -5.413 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.449 0.261 -4.779 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.142 -1.358 -6.544 1.00 0.00 C ATOM 0 H THR A 2 2.034 0.065 -3.381 1.00 0.00 H new ATOM 0 HA THR A 2 0.376 -2.254 -4.055 1.00 0.00 H new ATOM 0 HB THR A 2 1.316 0.029 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.837 0.870 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.572 -0.659 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.603 -1.978 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.930 -1.993 -6.139 1.00 0.00 H new ATOM 34 N CYS A 3 2.101 -3.601 -5.227 1.00 0.00 N ATOM 35 CA CYS A 3 3.125 -4.438 -5.841 1.00 0.00 C ATOM 36 C CYS A 3 2.499 -5.446 -6.802 1.00 0.00 C ATOM 37 O CYS A 3 1.418 -5.976 -6.544 1.00 0.00 O ATOM 38 CB CYS A 3 3.926 -5.172 -4.765 1.00 0.00 C ATOM 39 SG CYS A 3 4.437 -4.119 -3.369 1.00 0.00 S ATOM 0 H CYS A 3 1.249 -4.099 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 3 3.797 -3.792 -6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.327 -5.999 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.815 -5.607 -5.222 1.00 0.00 H new ATOM 44 N LEU A 4 3.186 -5.705 -7.908 1.00 0.00 N ATOM 45 CA LEU A 4 2.699 -6.649 -8.908 1.00 0.00 C ATOM 46 C LEU A 4 3.250 -8.048 -8.650 1.00 0.00 C ATOM 47 O LEU A 4 4.449 -8.223 -8.429 1.00 0.00 O ATOM 48 CB LEU A 4 3.093 -6.185 -10.311 1.00 0.00 C ATOM 49 CG LEU A 4 3.096 -4.673 -10.542 1.00 0.00 C ATOM 50 CD1 LEU A 4 3.541 -4.350 -11.960 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.717 -4.090 -10.268 1.00 0.00 C ATOM 0 H LEU A 4 4.082 -5.275 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 4 1.612 -6.687 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.089 -6.568 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.410 -6.641 -11.028 1.00 0.00 H new ATOM 0 HG LEU A 4 3.805 -4.220 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.537 -3.270 -12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.548 -4.734 -12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.857 -4.814 -12.671 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.737 -3.013 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.989 -4.549 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.437 -4.290 -9.234 1.00 0.00 H new ATOM 63 N ILE A 5 2.367 -9.040 -8.680 1.00 0.00 N ATOM 64 CA ILE A 5 2.765 -10.424 -8.453 1.00 0.00 C ATOM 65 C ILE A 5 2.029 -11.370 -9.394 1.00 0.00 C ATOM 66 O ILE A 5 0.929 -11.069 -9.860 1.00 0.00 O ATOM 67 CB ILE A 5 2.499 -10.854 -6.998 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.119 -11.504 -6.881 1.00 0.00 C ATOM 69 CG2 ILE A 5 2.609 -9.659 -6.063 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.020 -10.573 -7.234 1.00 0.00 C ATOM 0 H ILE A 5 1.371 -8.911 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 5 3.835 -10.481 -8.651 1.00 0.00 H new ATOM 0 HB ILE A 5 3.252 -11.587 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.081 -12.376 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.981 -11.863 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.418 -9.980 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.611 -9.236 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.876 -8.904 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.968 -11.101 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.008 -9.713 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.093 -10.233 -8.263 1.00 0.00 H new ATOM 82 N CYS A 6 2.641 -12.517 -9.670 1.00 0.00 N ATOM 83 CA CYS A 6 2.044 -13.509 -10.555 1.00 0.00 C ATOM 84 C CYS A 6 2.979 -14.699 -10.748 1.00 0.00 C ATOM 85 O CYS A 6 3.951 -14.641 -11.502 1.00 0.00 O ATOM 86 CB CYS A 6 1.713 -12.881 -11.911 1.00 0.00 C ATOM 87 SG CYS A 6 0.091 -13.369 -12.581 1.00 0.00 S ATOM 0 H CYS A 6 3.551 -12.782 -9.293 1.00 0.00 H new ATOM 0 HA CYS A 6 1.123 -13.864 -10.092 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.742 -11.796 -11.813 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.488 -13.158 -12.626 1.00 0.00 H new ATOM 92 N PRO A 7 2.681 -15.806 -10.051 1.00 0.00 N ATOM 93 CA PRO A 7 3.482 -17.031 -10.129 1.00 0.00 C ATOM 94 C PRO A 7 3.347 -17.726 -11.479 1.00 0.00 C ATOM 95 O PRO A 7 2.523 -18.625 -11.644 1.00 0.00 O ATOM 96 CB PRO A 7 2.901 -17.906 -9.016 1.00 0.00 C ATOM 97 CG PRO A 7 1.503 -17.421 -8.844 1.00 0.00 C ATOM 98 CD PRO A 7 1.538 -15.946 -9.134 1.00 0.00 C ATOM 0 HA PRO A 7 4.548 -16.829 -10.019 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.923 -18.961 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.472 -17.804 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.825 -17.936 -9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.146 -17.611 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.610 -15.605 -9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.678 -15.361 -8.225 1.00 0.00 H new ATOM 106 N GLU A 8 4.163 -17.305 -12.441 1.00 0.00 N ATOM 107 CA GLU A 8 4.133 -17.889 -13.777 1.00 0.00 C ATOM 108 C GLU A 8 5.359 -17.468 -14.582 1.00 0.00 C ATOM 109 O GLU A 8 6.046 -16.508 -14.233 1.00 0.00 O ATOM 110 CB GLU A 8 2.858 -17.471 -14.512 1.00 0.00 C ATOM 111 CG GLU A 8 1.756 -18.517 -14.463 1.00 0.00 C ATOM 112 CD GLU A 8 0.864 -18.482 -15.688 1.00 0.00 C ATOM 113 OE1 GLU A 8 1.021 -17.556 -16.512 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.008 -19.382 -15.824 1.00 0.00 O ATOM 0 H GLU A 8 4.852 -16.563 -12.320 1.00 0.00 H new ATOM 0 HA GLU A 8 4.144 -18.974 -13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.486 -16.543 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.101 -17.260 -15.553 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.203 -19.507 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.149 -18.358 -13.572 1.00 0.00 H new ATOM 121 N LYS A 9 5.627 -18.193 -15.663 1.00 0.00 N ATOM 122 CA LYS A 9 6.769 -17.896 -16.520 1.00 0.00 C ATOM 123 C LYS A 9 6.627 -16.518 -17.157 1.00 0.00 C ATOM 124 O LYS A 9 7.606 -15.937 -17.627 1.00 0.00 O ATOM 125 CB LYS A 9 6.905 -18.962 -17.610 1.00 0.00 C ATOM 126 CG LYS A 9 6.623 -20.372 -17.121 1.00 0.00 C ATOM 127 CD LYS A 9 7.368 -20.674 -15.831 1.00 0.00 C ATOM 128 CE LYS A 9 8.857 -20.391 -15.968 1.00 0.00 C ATOM 129 NZ LYS A 9 9.434 -21.031 -17.182 1.00 0.00 N ATOM 0 H LYS A 9 5.069 -18.991 -15.966 1.00 0.00 H new ATOM 0 HA LYS A 9 7.667 -17.900 -15.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.221 -18.726 -18.425 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.914 -18.924 -18.020 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.552 -20.495 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.915 -21.089 -17.888 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.955 -20.072 -15.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.219 -21.719 -15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.019 -19.314 -16.013 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.379 -20.755 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.406 -21.343 -16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.855 -21.852 -17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.445 -20.345 -17.964 1.00 0.00 H new ATOM 143 N ASP A 10 5.405 -15.998 -17.166 1.00 0.00 N ATOM 144 CA ASP A 10 5.136 -14.686 -17.743 1.00 0.00 C ATOM 145 C ASP A 10 3.758 -14.181 -17.326 1.00 0.00 C ATOM 146 O ASP A 10 2.740 -14.585 -17.890 1.00 0.00 O ATOM 147 CB ASP A 10 5.231 -14.746 -19.268 1.00 0.00 C ATOM 148 CG ASP A 10 5.105 -13.379 -19.911 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.820 -12.452 -19.476 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.292 -13.236 -20.848 1.00 0.00 O ATOM 0 H ASP A 10 4.584 -16.465 -16.780 1.00 0.00 H new ATOM 0 HA ASP A 10 5.887 -13.991 -17.368 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.184 -15.191 -19.552 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.447 -15.399 -19.652 1.00 0.00 H new ATOM 155 N CYS A 11 3.733 -13.296 -16.335 1.00 0.00 N ATOM 156 CA CYS A 11 2.480 -12.737 -15.841 1.00 0.00 C ATOM 157 C CYS A 11 2.742 -11.665 -14.787 1.00 0.00 C ATOM 158 O CYS A 11 3.675 -11.777 -13.993 1.00 0.00 O ATOM 159 CB CYS A 11 1.601 -13.842 -15.253 1.00 0.00 C ATOM 160 SG CYS A 11 0.033 -13.245 -14.541 1.00 0.00 S ATOM 0 H CYS A 11 4.566 -12.951 -15.858 1.00 0.00 H new ATOM 0 HA CYS A 11 1.960 -12.277 -16.681 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.379 -14.570 -16.034 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.163 -14.366 -14.480 1.00 0.00 H new ATOM 165 N GLN A 12 1.912 -10.627 -14.787 1.00 0.00 N ATOM 166 CA GLN A 12 2.054 -9.535 -13.831 1.00 0.00 C ATOM 167 C GLN A 12 0.689 -9.032 -13.373 1.00 0.00 C ATOM 168 O GLN A 12 0.030 -8.264 -14.076 1.00 0.00 O ATOM 169 CB GLN A 12 2.852 -8.387 -14.451 1.00 0.00 C ATOM 170 CG GLN A 12 3.463 -7.447 -13.425 1.00 0.00 C ATOM 171 CD GLN A 12 4.597 -6.618 -13.995 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.778 -6.741 -13.400 1.00 0.00 O flip ATOM 173 NE2 GLN A 12 4.414 -5.875 -14.960 1.00 0.00 N flip ATOM 0 H GLN A 12 1.134 -10.519 -15.438 1.00 0.00 H new ATOM 0 HA GLN A 12 2.592 -9.914 -12.962 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.647 -8.801 -15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.199 -7.816 -15.111 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.689 -6.782 -13.041 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.832 -8.028 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.490 -5.811 -15.387 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.187 -5.323 -15.333 1.00 0.00 H new ATOM 182 N LYS A 13 0.269 -9.469 -12.191 1.00 0.00 N ATOM 183 CA LYS A 13 -1.017 -9.063 -11.637 1.00 0.00 C ATOM 184 C LYS A 13 -0.826 -8.150 -10.430 1.00 0.00 C ATOM 185 O LYS A 13 -0.226 -8.545 -9.430 1.00 0.00 O ATOM 186 CB LYS A 13 -1.835 -10.293 -11.236 1.00 0.00 C ATOM 187 CG LYS A 13 -2.969 -9.982 -10.275 1.00 0.00 C ATOM 188 CD LYS A 13 -3.841 -11.202 -10.028 1.00 0.00 C ATOM 189 CE LYS A 13 -5.013 -11.255 -10.995 1.00 0.00 C ATOM 190 NZ LYS A 13 -4.706 -12.085 -12.193 1.00 0.00 N ATOM 0 H LYS A 13 0.801 -10.105 -11.597 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.557 -8.511 -12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.247 -10.754 -12.134 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.172 -11.026 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.559 -9.629 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.578 -9.174 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.241 -12.106 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.214 -11.183 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.886 -11.662 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.270 -10.244 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.898 -11.535 -13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.704 -12.363 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.302 -12.937 -12.187 1.00 0.00 H new ATOM 204 N VAL A 14 -1.341 -6.929 -10.530 1.00 0.00 N ATOM 205 CA VAL A 14 -1.229 -5.961 -9.445 1.00 0.00 C ATOM 206 C VAL A 14 -1.770 -6.533 -8.140 1.00 0.00 C ATOM 207 O VAL A 14 -2.671 -7.373 -8.144 1.00 0.00 O ATOM 208 CB VAL A 14 -1.984 -4.659 -9.774 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.502 -4.081 -11.096 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.484 -4.908 -9.807 1.00 0.00 C ATOM 0 H VAL A 14 -1.840 -6.586 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.168 -5.738 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.776 -3.931 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.047 -3.162 -11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.436 -3.864 -11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.678 -4.802 -11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.002 -3.978 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.713 -5.652 -10.570 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.814 -5.272 -8.834 1.00 0.00 H new ATOM 220 N HIS A 15 -1.215 -6.073 -7.023 1.00 0.00 N ATOM 221 CA HIS A 15 -1.643 -6.539 -5.709 1.00 0.00 C ATOM 222 C HIS A 15 -1.501 -5.432 -4.668 1.00 0.00 C ATOM 223 O HIS A 15 -0.708 -4.505 -4.835 1.00 0.00 O ATOM 224 CB HIS A 15 -0.826 -7.760 -5.286 1.00 0.00 C ATOM 225 CG HIS A 15 -1.599 -8.742 -4.461 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.293 -9.028 -3.148 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.674 -9.505 -4.770 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.144 -9.926 -2.685 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.993 -10.232 -3.650 1.00 0.00 N ATOM 0 H HIS A 15 -0.468 -5.378 -7.002 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.694 -6.820 -5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.451 -8.263 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.043 -7.427 -4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.185 -9.536 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.146 -10.340 -1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.760 -10.900 -3.575 1.00 0.00 H new ATOM 237 N THR A 16 -2.275 -5.535 -3.592 1.00 0.00 N ATOM 238 CA THR A 16 -2.238 -4.543 -2.525 1.00 0.00 C ATOM 239 C THR A 16 -1.797 -5.169 -1.207 1.00 0.00 C ATOM 240 O THR A 16 -2.513 -5.984 -0.625 1.00 0.00 O ATOM 241 CB THR A 16 -3.612 -3.877 -2.329 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.487 -4.231 -3.406 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.475 -2.363 -2.258 1.00 0.00 C ATOM 0 H THR A 16 -2.936 -6.296 -3.437 1.00 0.00 H new ATOM 0 HA THR A 16 -1.514 -3.785 -2.824 1.00 0.00 H new ATOM 0 HB THR A 16 -4.032 -4.233 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.359 -3.805 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.459 -1.915 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.833 -2.095 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.035 -1.994 -3.184 1.00 0.00 H new ATOM 251 N CYS A 17 -0.614 -4.784 -0.741 1.00 0.00 N ATOM 252 CA CYS A 17 -0.076 -5.307 0.510 1.00 0.00 C ATOM 253 C CYS A 17 -0.542 -4.467 1.695 1.00 0.00 C ATOM 254 O CYS A 17 0.260 -3.801 2.351 1.00 0.00 O ATOM 255 CB CYS A 17 1.452 -5.335 0.460 1.00 0.00 C ATOM 256 SG CYS A 17 2.147 -6.901 -0.161 1.00 0.00 S ATOM 0 H CYS A 17 -0.009 -4.111 -1.211 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.447 -6.324 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.799 -4.519 -0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.841 -5.149 1.461 1.00 0.00 H new ATOM 261 N ARG A 18 -1.843 -4.504 1.965 1.00 0.00 N ATOM 262 CA ARG A 18 -2.416 -3.746 3.071 1.00 0.00 C ATOM 263 C ARG A 18 -2.231 -4.488 4.392 1.00 0.00 C ATOM 264 O ARG A 18 -2.900 -5.487 4.652 1.00 0.00 O ATOM 265 CB ARG A 18 -3.903 -3.486 2.823 1.00 0.00 C ATOM 266 CG ARG A 18 -4.178 -2.669 1.571 1.00 0.00 C ATOM 267 CD ARG A 18 -5.662 -2.641 1.239 1.00 0.00 C ATOM 268 NE ARG A 18 -6.139 -3.935 0.757 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.422 -4.277 0.721 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.351 -3.427 1.136 1.00 0.00 N ATOM 271 NH2 ARG A 18 -7.778 -5.473 0.268 1.00 0.00 N ATOM 0 H ARG A 18 -2.520 -5.051 1.433 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.893 -2.792 3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.422 -4.441 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.321 -2.966 3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.817 -1.651 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.624 -3.090 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.227 -2.354 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.850 -1.880 0.481 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.450 -4.612 0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.081 -2.507 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.335 -3.693 1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.066 -6.130 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.763 -5.735 0.240 1.00 0.00 H new ATOM 285 N ASN A 19 -1.319 -3.991 5.221 1.00 0.00 N ATOM 286 CA ASN A 19 -1.046 -4.607 6.514 1.00 0.00 C ATOM 287 C ASN A 19 0.077 -3.873 7.241 1.00 0.00 C ATOM 288 O ASN A 19 0.497 -2.794 6.823 1.00 0.00 O ATOM 289 CB ASN A 19 -0.673 -6.080 6.333 1.00 0.00 C ATOM 290 CG ASN A 19 -1.567 -7.006 7.133 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.089 -7.911 7.817 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.874 -6.784 7.051 1.00 0.00 N ATOM 0 H ASN A 19 -0.757 -3.164 5.021 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.951 -4.540 7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.737 -6.341 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.363 -6.229 6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.525 -7.375 7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.227 -6.022 6.472 1.00 0.00 H new ATOM 299 N GLU A 20 0.557 -4.465 8.329 1.00 0.00 N ATOM 300 CA GLU A 20 1.631 -3.867 9.113 1.00 0.00 C ATOM 301 C GLU A 20 2.930 -3.822 8.313 1.00 0.00 C ATOM 302 O GLU A 20 3.868 -3.113 8.673 1.00 0.00 O ATOM 303 CB GLU A 20 1.845 -4.651 10.410 1.00 0.00 C ATOM 304 CG GLU A 20 0.634 -4.650 11.328 1.00 0.00 C ATOM 305 CD GLU A 20 0.560 -5.891 12.196 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.183 -5.899 13.277 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.124 -6.856 11.792 1.00 0.00 O ATOM 0 H GLU A 20 0.219 -5.358 8.688 1.00 0.00 H new ATOM 0 HA GLU A 20 1.340 -2.846 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.103 -5.681 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.696 -4.228 10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.667 -3.766 11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.273 -4.576 10.727 1.00 0.00 H new ATOM 314 N GLU A 21 2.974 -4.586 7.225 1.00 0.00 N ATOM 315 CA GLU A 21 4.158 -4.634 6.375 1.00 0.00 C ATOM 316 C GLU A 21 4.340 -3.320 5.621 1.00 0.00 C ATOM 317 O GLU A 21 3.627 -2.347 5.864 1.00 0.00 O ATOM 318 CB GLU A 21 4.052 -5.794 5.383 1.00 0.00 C ATOM 319 CG GLU A 21 3.507 -7.073 5.996 1.00 0.00 C ATOM 320 CD GLU A 21 4.182 -7.424 7.308 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.346 -7.018 7.503 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.546 -8.106 8.139 1.00 0.00 O ATOM 0 H GLU A 21 2.205 -5.179 6.912 1.00 0.00 H new ATOM 0 HA GLU A 21 5.028 -4.789 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.409 -5.495 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.038 -5.994 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.435 -6.965 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.640 -7.894 5.292 1.00 0.00 H new ATOM 329 N LYS A 22 5.302 -3.300 4.704 1.00 0.00 N ATOM 330 CA LYS A 22 5.580 -2.107 3.913 1.00 0.00 C ATOM 331 C LYS A 22 6.180 -2.479 2.561 1.00 0.00 C ATOM 332 O LYS A 22 5.727 -2.004 1.519 1.00 0.00 O ATOM 333 CB LYS A 22 6.534 -1.180 4.668 1.00 0.00 C ATOM 334 CG LYS A 22 5.930 -0.579 5.926 1.00 0.00 C ATOM 335 CD LYS A 22 6.899 0.370 6.611 1.00 0.00 C ATOM 336 CE LYS A 22 6.745 1.793 6.094 1.00 0.00 C ATOM 337 NZ LYS A 22 5.472 2.415 6.552 1.00 0.00 N ATOM 0 H LYS A 22 5.902 -4.097 4.490 1.00 0.00 H new ATOM 0 HA LYS A 22 4.637 -1.587 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.432 -1.737 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.846 -0.374 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.015 -0.045 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.653 -1.377 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.728 0.352 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.921 0.030 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.587 2.396 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.776 1.789 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.540 3.449 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.686 2.069 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.300 2.161 7.546 1.00 0.00 H new ATOM 351 N ILE A 23 7.198 -3.332 2.585 1.00 0.00 N ATOM 352 CA ILE A 23 7.857 -3.769 1.361 1.00 0.00 C ATOM 353 C ILE A 23 7.298 -5.105 0.882 1.00 0.00 C ATOM 354 O ILE A 23 6.582 -5.789 1.614 1.00 0.00 O ATOM 355 CB ILE A 23 9.379 -3.904 1.557 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.691 -5.051 2.521 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.964 -2.597 2.073 1.00 0.00 C ATOM 358 CD1 ILE A 23 11.170 -5.335 2.662 1.00 0.00 C ATOM 0 H ILE A 23 7.584 -3.734 3.439 1.00 0.00 H new ATOM 0 HA ILE A 23 7.662 -3.005 0.609 1.00 0.00 H new ATOM 0 HB ILE A 23 9.837 -4.129 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.280 -4.813 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.187 -5.953 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.040 -2.708 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.768 -1.802 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.504 -2.344 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.317 -6.159 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.583 -5.605 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.677 -4.446 3.038 1.00 0.00 H new ATOM 370 N CYS A 24 7.631 -5.472 -0.351 1.00 0.00 N ATOM 371 CA CYS A 24 7.164 -6.727 -0.928 1.00 0.00 C ATOM 372 C CYS A 24 8.340 -7.593 -1.371 1.00 0.00 C ATOM 373 O CYS A 24 9.168 -7.169 -2.176 1.00 0.00 O ATOM 374 CB CYS A 24 6.242 -6.453 -2.118 1.00 0.00 C ATOM 375 SG CYS A 24 4.900 -5.273 -1.762 1.00 0.00 S ATOM 0 H CYS A 24 8.223 -4.918 -0.970 1.00 0.00 H new ATOM 0 HA CYS A 24 6.607 -7.266 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.839 -6.069 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.805 -7.395 -2.450 1.00 0.00 H new ATOM 380 N VAL A 25 8.405 -8.809 -0.838 1.00 0.00 N ATOM 381 CA VAL A 25 9.478 -9.736 -1.179 1.00 0.00 C ATOM 382 C VAL A 25 8.921 -11.030 -1.763 1.00 0.00 C ATOM 383 O VAL A 25 7.808 -11.443 -1.437 1.00 0.00 O ATOM 384 CB VAL A 25 10.342 -10.071 0.052 1.00 0.00 C ATOM 385 CG1 VAL A 25 11.641 -10.738 -0.373 1.00 0.00 C ATOM 386 CG2 VAL A 25 10.619 -8.816 0.865 1.00 0.00 C ATOM 0 H VAL A 25 7.728 -9.175 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 25 10.099 -9.241 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 25 9.792 -10.770 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.238 -10.967 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.418 -11.660 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.199 -10.065 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.230 -9.071 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.149 -8.092 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.676 -8.385 1.201 1.00 0.00 H new ATOM 396 N LYS A 26 9.704 -11.666 -2.628 1.00 0.00 N ATOM 397 CA LYS A 26 9.291 -12.915 -3.258 1.00 0.00 C ATOM 398 C LYS A 26 10.496 -13.811 -3.529 1.00 0.00 C ATOM 399 O LYS A 26 11.587 -13.326 -3.828 1.00 0.00 O ATOM 400 CB LYS A 26 8.549 -12.630 -4.565 1.00 0.00 C ATOM 401 CG LYS A 26 8.558 -13.798 -5.537 1.00 0.00 C ATOM 402 CD LYS A 26 7.436 -13.684 -6.555 1.00 0.00 C ATOM 403 CE LYS A 26 6.844 -15.046 -6.886 1.00 0.00 C ATOM 404 NZ LYS A 26 5.422 -15.153 -6.456 1.00 0.00 N ATOM 0 H LYS A 26 10.628 -11.337 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 26 8.620 -13.435 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.516 -12.366 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.000 -11.763 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.517 -13.835 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.457 -14.733 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.655 -13.031 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.815 -13.220 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.913 -15.220 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.430 -15.825 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.177 -16.154 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.289 -14.634 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.806 -14.746 -7.189 1.00 0.00 H new ATOM 418 N ARG A 27 10.289 -15.119 -3.425 1.00 0.00 N ATOM 419 CA ARG A 27 11.358 -16.082 -3.660 1.00 0.00 C ATOM 420 C ARG A 27 10.877 -17.223 -4.552 1.00 0.00 C ATOM 421 O ARG A 27 9.753 -17.705 -4.409 1.00 0.00 O ATOM 422 CB ARG A 27 11.871 -16.642 -2.331 1.00 0.00 C ATOM 423 CG ARG A 27 11.950 -15.604 -1.224 1.00 0.00 C ATOM 424 CD ARG A 27 12.552 -16.188 0.045 1.00 0.00 C ATOM 425 NE ARG A 27 12.529 -15.234 1.151 1.00 0.00 N ATOM 426 CZ ARG A 27 12.810 -15.560 2.407 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.134 -16.808 2.716 1.00 0.00 N ATOM 428 NH2 ARG A 27 12.768 -14.635 3.359 1.00 0.00 N ATOM 0 H ARG A 27 9.391 -15.536 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 27 12.172 -15.565 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.217 -17.453 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.860 -17.073 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.552 -14.759 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.952 -15.220 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.001 -17.085 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.580 -16.494 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 27 12.284 -14.265 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.168 -17.521 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.349 -17.055 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.520 -13.674 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.984 -14.886 4.324 1.00 0.00 H new ATOM 442 N PHE A 28 11.734 -17.649 -5.474 1.00 0.00 N ATOM 443 CA PHE A 28 11.396 -18.731 -6.390 1.00 0.00 C ATOM 444 C PHE A 28 12.541 -19.735 -6.493 1.00 0.00 C ATOM 445 O PHE A 28 13.703 -19.392 -6.272 1.00 0.00 O ATOM 446 CB PHE A 28 11.068 -18.171 -7.776 1.00 0.00 C ATOM 447 CG PHE A 28 12.255 -17.574 -8.477 1.00 0.00 C ATOM 448 CD1 PHE A 28 13.102 -18.369 -9.233 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.524 -16.218 -8.381 1.00 0.00 C ATOM 450 CE1 PHE A 28 14.194 -17.822 -9.879 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.615 -15.666 -9.025 1.00 0.00 C ATOM 452 CZ PHE A 28 14.451 -16.469 -9.776 1.00 0.00 C ATOM 0 H PHE A 28 12.668 -17.261 -5.606 1.00 0.00 H new ATOM 0 HA PHE A 28 10.519 -19.245 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.655 -18.969 -8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.293 -17.410 -7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.906 -19.428 -9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.873 -15.585 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.847 -18.453 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.814 -14.608 -8.941 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.304 -16.040 -10.281 1.00 0.00 H new ATOM 462 N TYR A 29 12.205 -20.975 -6.830 1.00 0.00 N ATOM 463 CA TYR A 29 13.203 -22.029 -6.959 1.00 0.00 C ATOM 464 C TYR A 29 13.129 -22.684 -8.335 1.00 0.00 C ATOM 465 O TYR A 29 12.044 -22.874 -8.887 1.00 0.00 O ATOM 466 CB TYR A 29 13.005 -23.084 -5.869 1.00 0.00 C ATOM 467 CG TYR A 29 14.292 -23.738 -5.420 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.845 -24.793 -6.135 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.956 -23.301 -4.280 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.020 -25.395 -5.727 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.132 -23.895 -3.865 1.00 0.00 C ATOM 472 CZ TYR A 29 16.660 -24.942 -4.592 1.00 0.00 C ATOM 473 OH TYR A 29 17.831 -25.537 -4.184 1.00 0.00 O ATOM 0 H TYR A 29 11.248 -21.275 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 29 14.188 -21.577 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.524 -22.620 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.326 -23.853 -6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.348 -25.149 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.545 -22.482 -3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.435 -26.216 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.635 -23.542 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 29 18.192 -26.083 -4.913 1.00 0.00 H new ATOM 483 N ASP A 30 14.289 -23.028 -8.883 1.00 0.00 N ATOM 484 CA ASP A 30 14.357 -23.663 -10.194 1.00 0.00 C ATOM 485 C ASP A 30 15.304 -24.859 -10.169 1.00 0.00 C ATOM 486 O ASP A 30 16.524 -24.699 -10.139 1.00 0.00 O ATOM 487 CB ASP A 30 14.816 -22.656 -11.249 1.00 0.00 C ATOM 488 CG ASP A 30 16.155 -22.031 -10.910 1.00 0.00 C ATOM 489 OD1 ASP A 30 16.194 -21.159 -10.016 1.00 0.00 O ATOM 490 OD2 ASP A 30 17.164 -22.414 -11.538 1.00 0.00 O ATOM 0 H ASP A 30 15.195 -22.878 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 30 13.359 -24.017 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.885 -23.154 -12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.067 -21.871 -11.348 1.00 0.00 H new ATOM 495 N LYS A 31 14.733 -26.059 -10.180 1.00 0.00 N ATOM 496 CA LYS A 31 15.525 -27.283 -10.159 1.00 0.00 C ATOM 497 C LYS A 31 14.718 -28.462 -10.695 1.00 0.00 C ATOM 498 O LYS A 31 13.556 -28.312 -11.069 1.00 0.00 O ATOM 499 CB LYS A 31 16.001 -27.583 -8.736 1.00 0.00 C ATOM 500 CG LYS A 31 17.453 -27.212 -8.490 1.00 0.00 C ATOM 501 CD LYS A 31 18.394 -28.046 -9.342 1.00 0.00 C ATOM 502 CE LYS A 31 19.016 -29.179 -8.540 1.00 0.00 C ATOM 503 NZ LYS A 31 19.721 -30.156 -9.415 1.00 0.00 N ATOM 0 H LYS A 31 13.724 -26.210 -10.203 1.00 0.00 H new ATOM 0 HA LYS A 31 16.393 -27.136 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.372 -27.042 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.867 -28.646 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.602 -26.155 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.692 -27.354 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.849 -28.457 -10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.181 -27.410 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.719 -28.768 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.239 -29.693 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.131 -30.912 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.046 -30.568 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.479 -29.671 -9.936 1.00 0.00 H new ATOM 574 N TRP A 36 10.020 -25.542 -10.979 1.00 0.00 N ATOM 575 CA TRP A 36 9.918 -24.089 -11.056 1.00 0.00 C ATOM 576 C TRP A 36 8.731 -23.583 -10.243 1.00 0.00 C ATOM 577 O TRP A 36 7.577 -23.776 -10.626 1.00 0.00 O ATOM 578 CB TRP A 36 9.781 -23.643 -12.513 1.00 0.00 C ATOM 579 CG TRP A 36 10.042 -22.181 -12.713 1.00 0.00 C ATOM 580 CD1 TRP A 36 9.148 -21.160 -12.555 1.00 0.00 C ATOM 581 CD2 TRP A 36 11.277 -21.577 -13.111 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.754 -19.958 -12.830 1.00 0.00 N ATOM 583 CE2 TRP A 36 11.060 -20.186 -13.173 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.546 -22.075 -13.419 1.00 0.00 C ATOM 585 CZ2 TRP A 36 12.065 -19.292 -13.531 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.542 -21.185 -13.774 1.00 0.00 C ATOM 587 CH2 TRP A 36 13.298 -19.807 -13.828 1.00 0.00 C ATOM 0 HA TRP A 36 10.830 -23.663 -10.637 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.475 -24.216 -13.128 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.776 -23.877 -12.864 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.117 -21.280 -12.258 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.304 -19.044 -12.786 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.745 -23.136 -13.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.878 -18.229 -13.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.526 -21.559 -14.014 1.00 0.00 H new ATOM 0 HH2 TRP A 36 14.098 -19.138 -14.109 1.00 0.00 H new ATOM 598 N ARG A 37 9.022 -22.934 -9.120 1.00 0.00 N ATOM 599 CA ARG A 37 7.978 -22.401 -8.253 1.00 0.00 C ATOM 600 C ARG A 37 8.374 -21.034 -7.703 1.00 0.00 C ATOM 601 O ARG A 37 9.556 -20.746 -7.520 1.00 0.00 O ATOM 602 CB ARG A 37 7.702 -23.367 -7.099 1.00 0.00 C ATOM 603 CG ARG A 37 7.098 -24.689 -7.542 1.00 0.00 C ATOM 604 CD ARG A 37 5.599 -24.569 -7.767 1.00 0.00 C ATOM 605 NE ARG A 37 5.107 -25.562 -8.718 1.00 0.00 N ATOM 606 CZ ARG A 37 3.852 -25.607 -9.151 1.00 0.00 C ATOM 607 NH1 ARG A 37 2.967 -24.718 -8.721 1.00 0.00 N ATOM 608 NH2 ARG A 37 3.480 -26.541 -10.018 1.00 0.00 N ATOM 0 H ARG A 37 9.972 -22.765 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 37 7.071 -22.286 -8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.634 -23.563 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.027 -22.889 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.580 -25.020 -8.462 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.294 -25.451 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.079 -24.689 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.366 -23.569 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 37 5.763 -26.259 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.249 -23.998 -8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.004 -24.755 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.158 -27.225 -10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.516 -26.574 -10.349 1.00 0.00 H new ATOM 622 N ALA A 38 7.376 -20.196 -7.443 1.00 0.00 N ATOM 623 CA ALA A 38 7.619 -18.860 -6.913 1.00 0.00 C ATOM 624 C ALA A 38 6.481 -18.416 -6.001 1.00 0.00 C ATOM 625 O ALA A 38 5.316 -18.725 -6.251 1.00 0.00 O ATOM 626 CB ALA A 38 7.805 -17.867 -8.050 1.00 0.00 C ATOM 0 H ALA A 38 6.392 -20.419 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 38 8.533 -18.892 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.986 -16.874 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.657 -18.168 -8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.906 -17.847 -8.666 1.00 0.00 H new ATOM 632 N GLN A 39 6.826 -17.689 -4.942 1.00 0.00 N ATOM 633 CA GLN A 39 5.831 -17.204 -3.992 1.00 0.00 C ATOM 634 C GLN A 39 6.220 -15.833 -3.450 1.00 0.00 C ATOM 635 O GLN A 39 7.387 -15.583 -3.145 1.00 0.00 O ATOM 636 CB GLN A 39 5.671 -18.196 -2.838 1.00 0.00 C ATOM 637 CG GLN A 39 4.337 -18.082 -2.120 1.00 0.00 C ATOM 638 CD GLN A 39 4.259 -18.965 -0.890 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.781 -20.081 -0.879 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.606 -18.470 0.155 1.00 0.00 N ATOM 0 H GLN A 39 7.786 -17.423 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 39 4.880 -17.111 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.782 -19.210 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.476 -18.038 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.173 -17.045 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.535 -18.351 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.189 -17.541 0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.522 -19.019 1.010 1.00 0.00 H new ATOM 649 N ARG A 40 5.236 -14.948 -3.333 1.00 0.00 N ATOM 650 CA ARG A 40 5.476 -13.601 -2.829 1.00 0.00 C ATOM 651 C ARG A 40 4.968 -13.458 -1.397 1.00 0.00 C ATOM 652 O ARG A 40 4.251 -14.321 -0.893 1.00 0.00 O ATOM 653 CB ARG A 40 4.796 -12.568 -3.729 1.00 0.00 C ATOM 654 CG ARG A 40 5.375 -11.169 -3.596 1.00 0.00 C ATOM 655 CD ARG A 40 5.428 -10.458 -4.939 1.00 0.00 C ATOM 656 NE ARG A 40 6.792 -10.360 -5.453 1.00 0.00 N ATOM 657 CZ ARG A 40 7.088 -10.318 -6.747 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.122 -10.367 -7.654 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.354 -10.228 -7.137 1.00 0.00 N ATOM 0 H ARG A 40 4.265 -15.139 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 40 6.552 -13.424 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.882 -12.890 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.733 -12.536 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.770 -10.588 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.378 -11.228 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.807 -10.994 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.006 -9.458 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 40 7.559 -10.322 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.148 -10.437 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.353 -10.335 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.100 -10.191 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.580 -10.196 -8.131 1.00 0.00 H new ATOM 673 N GLY A 41 5.345 -12.361 -0.747 1.00 0.00 N ATOM 674 CA GLY A 41 4.918 -12.125 0.620 1.00 0.00 C ATOM 675 C GLY A 41 5.231 -10.718 1.090 1.00 0.00 C ATOM 676 O GLY A 41 6.301 -10.181 0.800 1.00 0.00 O ATOM 0 H GLY A 41 5.938 -11.632 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.845 -12.301 0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.407 -12.842 1.279 1.00 0.00 H new ATOM 680 N CYS A 42 4.294 -10.117 1.816 1.00 0.00 N ATOM 681 CA CYS A 42 4.473 -8.762 2.326 1.00 0.00 C ATOM 682 C CYS A 42 5.277 -8.771 3.622 1.00 0.00 C ATOM 683 O CYS A 42 5.016 -9.569 4.522 1.00 0.00 O ATOM 684 CB CYS A 42 3.114 -8.100 2.560 1.00 0.00 C ATOM 685 SG CYS A 42 1.934 -8.319 1.189 1.00 0.00 S ATOM 0 H CYS A 42 3.403 -10.547 2.065 1.00 0.00 H new ATOM 0 HA CYS A 42 5.025 -8.189 1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.676 -8.507 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.265 -7.034 2.728 1.00 0.00 H new ATOM 690 N ALA A 43 6.256 -7.877 3.711 1.00 0.00 N ATOM 691 CA ALA A 43 7.097 -7.780 4.897 1.00 0.00 C ATOM 692 C ALA A 43 7.680 -6.378 5.044 1.00 0.00 C ATOM 693 O ALA A 43 7.280 -5.452 4.338 1.00 0.00 O ATOM 694 CB ALA A 43 8.212 -8.813 4.841 1.00 0.00 C ATOM 0 H ALA A 43 6.486 -7.209 2.975 1.00 0.00 H new ATOM 0 HA ALA A 43 6.475 -7.980 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.832 -8.728 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.780 -9.813 4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.825 -8.640 3.956 1.00 0.00 H new ATOM 700 N VAL A 44 8.626 -6.229 5.965 1.00 0.00 N ATOM 701 CA VAL A 44 9.264 -4.940 6.204 1.00 0.00 C ATOM 702 C VAL A 44 10.782 -5.078 6.247 1.00 0.00 C ATOM 703 O VAL A 44 11.491 -4.136 6.601 1.00 0.00 O ATOM 704 CB VAL A 44 8.779 -4.310 7.523 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.374 -3.750 7.363 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.831 -5.329 8.651 1.00 0.00 C ATOM 0 H VAL A 44 8.968 -6.985 6.558 1.00 0.00 H new ATOM 0 HA VAL A 44 8.985 -4.290 5.375 1.00 0.00 H new ATOM 0 HB VAL A 44 9.445 -3.486 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.049 -3.309 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.373 -2.986 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.692 -4.553 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.485 -4.867 9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.189 -6.176 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.856 -5.676 8.781 1.00 0.00 H new ATOM 716 N SER A 45 11.274 -6.258 5.885 1.00 0.00 N ATOM 717 CA SER A 45 12.709 -6.521 5.886 1.00 0.00 C ATOM 718 C SER A 45 13.110 -7.347 4.667 1.00 0.00 C ATOM 719 O SER A 45 12.316 -8.129 4.144 1.00 0.00 O ATOM 720 CB SER A 45 13.114 -7.252 7.167 1.00 0.00 C ATOM 721 OG SER A 45 12.108 -8.161 7.576 1.00 0.00 O ATOM 0 H SER A 45 10.701 -7.047 5.587 1.00 0.00 H new ATOM 0 HA SER A 45 13.229 -5.564 5.843 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.048 -7.789 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.298 -6.527 7.960 1.00 0.00 H new ATOM 0 HG SER A 45 12.392 -8.616 8.396 1.00 0.00 H new ATOM 727 N CYS A 46 14.348 -7.166 4.220 1.00 0.00 N ATOM 728 CA CYS A 46 14.858 -7.893 3.063 1.00 0.00 C ATOM 729 C CYS A 46 15.933 -8.892 3.479 1.00 0.00 C ATOM 730 O CYS A 46 17.132 -8.633 3.372 1.00 0.00 O ATOM 731 CB CYS A 46 15.425 -6.916 2.031 1.00 0.00 C ATOM 732 SG CYS A 46 15.421 -7.554 0.324 1.00 0.00 S ATOM 0 H CYS A 46 15.017 -6.522 4.641 1.00 0.00 H new ATOM 0 HA CYS A 46 14.030 -8.443 2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.847 -5.993 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.447 -6.662 2.310 1.00 0.00 H new ATOM 737 N PRO A 47 15.496 -10.064 3.965 1.00 0.00 N ATOM 738 CA PRO A 47 16.404 -11.126 4.406 1.00 0.00 C ATOM 739 C PRO A 47 17.147 -11.774 3.242 1.00 0.00 C ATOM 740 O PRO A 47 17.139 -11.260 2.123 1.00 0.00 O ATOM 741 CB PRO A 47 15.470 -12.138 5.073 1.00 0.00 C ATOM 742 CG PRO A 47 14.145 -11.911 4.430 1.00 0.00 C ATOM 743 CD PRO A 47 14.081 -10.441 4.121 1.00 0.00 C ATOM 0 HA PRO A 47 17.184 -10.747 5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.816 -13.160 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.420 -11.980 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.045 -12.505 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.333 -12.206 5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.511 -10.246 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.602 -9.882 4.925 1.00 0.00 H new ATOM 751 N LYS A 48 17.787 -12.907 3.512 1.00 0.00 N ATOM 752 CA LYS A 48 18.533 -13.627 2.487 1.00 0.00 C ATOM 753 C LYS A 48 18.111 -15.092 2.435 1.00 0.00 C ATOM 754 O LYS A 48 17.271 -15.534 3.219 1.00 0.00 O ATOM 755 CB LYS A 48 20.036 -13.528 2.757 1.00 0.00 C ATOM 756 CG LYS A 48 20.563 -14.620 3.672 1.00 0.00 C ATOM 757 CD LYS A 48 19.825 -14.639 5.000 1.00 0.00 C ATOM 758 CE LYS A 48 19.967 -13.316 5.736 1.00 0.00 C ATOM 759 NZ LYS A 48 19.211 -13.310 7.018 1.00 0.00 N ATOM 0 H LYS A 48 17.804 -13.346 4.432 1.00 0.00 H new ATOM 0 HA LYS A 48 18.312 -13.169 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.571 -13.571 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.254 -12.557 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.458 -15.588 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.628 -14.466 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.769 -14.849 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.213 -15.446 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.021 -13.123 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.609 -12.506 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.334 -12.391 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.201 -13.469 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.569 -14.066 7.636 1.00 0.00 H new ATOM 773 N ALA A 49 18.699 -15.840 1.508 1.00 0.00 N ATOM 774 CA ALA A 49 18.386 -17.256 1.357 1.00 0.00 C ATOM 775 C ALA A 49 19.590 -18.032 0.834 1.00 0.00 C ATOM 776 O ALA A 49 20.699 -17.503 0.762 1.00 0.00 O ATOM 777 CB ALA A 49 17.195 -17.437 0.427 1.00 0.00 C ATOM 0 H ALA A 49 19.395 -15.489 0.850 1.00 0.00 H new ATOM 0 HA ALA A 49 18.130 -17.653 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.972 -18.499 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.328 -16.923 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.431 -17.018 -0.552 1.00 0.00 H new ATOM 783 N LYS A 50 19.365 -19.290 0.471 1.00 0.00 N ATOM 784 CA LYS A 50 20.431 -20.140 -0.046 1.00 0.00 C ATOM 785 C LYS A 50 20.854 -19.695 -1.442 1.00 0.00 C ATOM 786 O LYS A 50 20.121 -19.001 -2.147 1.00 0.00 O ATOM 787 CB LYS A 50 19.975 -21.601 -0.081 1.00 0.00 C ATOM 788 CG LYS A 50 20.187 -22.336 1.231 1.00 0.00 C ATOM 789 CD LYS A 50 20.043 -23.839 1.058 1.00 0.00 C ATOM 790 CE LYS A 50 18.588 -24.273 1.140 1.00 0.00 C ATOM 791 NZ LYS A 50 18.431 -25.736 0.911 1.00 0.00 N ATOM 0 H LYS A 50 18.453 -19.744 0.525 1.00 0.00 H new ATOM 0 HA LYS A 50 21.289 -20.049 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.917 -21.636 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.515 -22.123 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.179 -22.107 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.465 -21.983 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.459 -24.137 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.621 -24.352 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.187 -24.014 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.004 -23.725 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.425 -25.991 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.791 -25.980 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.968 -26.260 1.632 1.00 0.00 H new ATOM 805 N PRO A 51 22.064 -20.103 -1.853 1.00 0.00 N ATOM 806 CA PRO A 51 22.610 -19.758 -3.169 1.00 0.00 C ATOM 807 C PRO A 51 21.877 -20.466 -4.304 1.00 0.00 C ATOM 808 O PRO A 51 21.997 -20.083 -5.467 1.00 0.00 O ATOM 809 CB PRO A 51 24.061 -20.239 -3.088 1.00 0.00 C ATOM 810 CG PRO A 51 24.044 -21.322 -2.065 1.00 0.00 C ATOM 811 CD PRO A 51 22.991 -20.932 -1.065 1.00 0.00 C ATOM 0 HA PRO A 51 22.510 -18.694 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.410 -20.610 -4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.731 -19.430 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.812 -22.285 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.018 -21.422 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.492 -21.805 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.416 -20.376 -0.229 1.00 0.00 H new ATOM 819 N ASN A 52 21.117 -21.500 -3.958 1.00 0.00 N ATOM 820 CA ASN A 52 20.365 -22.262 -4.948 1.00 0.00 C ATOM 821 C ASN A 52 19.085 -21.530 -5.339 1.00 0.00 C ATOM 822 O ASN A 52 18.798 -21.349 -6.522 1.00 0.00 O ATOM 823 CB ASN A 52 20.026 -23.651 -4.404 1.00 0.00 C ATOM 824 CG ASN A 52 21.264 -24.476 -4.114 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.760 -25.197 -4.980 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.770 -24.374 -2.890 1.00 0.00 N ATOM 0 H ASN A 52 21.006 -21.829 -2.999 1.00 0.00 H new ATOM 0 HA ASN A 52 20.987 -22.370 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.440 -23.547 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.402 -24.178 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.603 -24.906 -2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.326 -23.764 -2.204 1.00 0.00 H new ATOM 833 N GLU A 53 18.319 -21.110 -4.336 1.00 0.00 N ATOM 834 CA GLU A 53 17.070 -20.398 -4.576 1.00 0.00 C ATOM 835 C GLU A 53 17.334 -18.934 -4.915 1.00 0.00 C ATOM 836 O GLU A 53 18.477 -18.477 -4.896 1.00 0.00 O ATOM 837 CB GLU A 53 16.160 -20.493 -3.349 1.00 0.00 C ATOM 838 CG GLU A 53 16.513 -19.504 -2.251 1.00 0.00 C ATOM 839 CD GLU A 53 15.626 -19.646 -1.030 1.00 0.00 C ATOM 840 OE1 GLU A 53 15.743 -20.673 -0.329 1.00 0.00 O ATOM 841 OE2 GLU A 53 14.815 -18.731 -0.776 1.00 0.00 O ATOM 0 H GLU A 53 18.542 -21.251 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 53 16.573 -20.865 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.128 -20.326 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.212 -21.504 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.553 -19.648 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.429 -18.489 -2.640 1.00 0.00 H new ATOM 848 N THR A 54 16.268 -18.203 -5.226 1.00 0.00 N ATOM 849 CA THR A 54 16.383 -16.792 -5.571 1.00 0.00 C ATOM 850 C THR A 54 15.393 -15.949 -4.776 1.00 0.00 C ATOM 851 O THR A 54 14.253 -16.357 -4.555 1.00 0.00 O ATOM 852 CB THR A 54 16.147 -16.560 -7.075 1.00 0.00 C ATOM 853 OG1 THR A 54 17.059 -17.353 -7.843 1.00 0.00 O ATOM 854 CG2 THR A 54 16.321 -15.091 -7.431 1.00 0.00 C ATOM 0 H THR A 54 15.315 -18.566 -5.246 1.00 0.00 H new ATOM 0 HA THR A 54 17.399 -16.487 -5.320 1.00 0.00 H new ATOM 0 HB THR A 54 15.124 -16.855 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.722 -17.445 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 16.149 -14.952 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.605 -14.493 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.334 -14.774 -7.182 1.00 0.00 H new ATOM 862 N VAL A 55 15.835 -14.770 -4.350 1.00 0.00 N ATOM 863 CA VAL A 55 14.986 -13.867 -3.581 1.00 0.00 C ATOM 864 C VAL A 55 15.060 -12.445 -4.125 1.00 0.00 C ATOM 865 O VAL A 55 16.089 -12.027 -4.656 1.00 0.00 O ATOM 866 CB VAL A 55 15.381 -13.857 -2.092 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.419 -12.993 -1.290 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.422 -15.275 -1.543 1.00 0.00 C ATOM 0 H VAL A 55 16.776 -14.418 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 55 13.965 -14.236 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 55 16.379 -13.428 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.714 -12.998 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.445 -11.971 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.408 -13.390 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.703 -15.250 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.438 -15.733 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.154 -15.860 -2.100 1.00 0.00 H new ATOM 878 N GLN A 56 13.963 -11.707 -3.990 1.00 0.00 N ATOM 879 CA GLN A 56 13.904 -10.331 -4.468 1.00 0.00 C ATOM 880 C GLN A 56 12.841 -9.538 -3.716 1.00 0.00 C ATOM 881 O GLN A 56 11.736 -10.028 -3.482 1.00 0.00 O ATOM 882 CB GLN A 56 13.612 -10.304 -5.970 1.00 0.00 C ATOM 883 CG GLN A 56 12.574 -11.325 -6.406 1.00 0.00 C ATOM 884 CD GLN A 56 13.197 -12.623 -6.882 1.00 0.00 C ATOM 885 OE1 GLN A 56 14.022 -12.630 -7.796 1.00 0.00 O ATOM 886 NE2 GLN A 56 12.805 -13.730 -6.262 1.00 0.00 N ATOM 0 H GLN A 56 13.103 -12.039 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 56 14.873 -9.867 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.268 -9.307 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.538 -10.484 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.902 -11.533 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.968 -10.902 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.119 -13.677 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.190 -14.633 -6.538 1.00 0.00 H new ATOM 895 N CYS A 57 13.182 -8.310 -3.339 1.00 0.00 N ATOM 896 CA CYS A 57 12.258 -7.449 -2.612 1.00 0.00 C ATOM 897 C CYS A 57 12.252 -6.040 -3.199 1.00 0.00 C ATOM 898 O CYS A 57 13.186 -5.641 -3.895 1.00 0.00 O ATOM 899 CB CYS A 57 12.637 -7.394 -1.131 1.00 0.00 C ATOM 900 SG CYS A 57 14.198 -6.518 -0.794 1.00 0.00 S ATOM 0 H CYS A 57 14.092 -7.889 -3.525 1.00 0.00 H new ATOM 0 HA CYS A 57 11.257 -7.869 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.833 -6.907 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.714 -8.412 -0.749 1.00 0.00 H new ATOM 905 N CYS A 58 11.193 -5.290 -2.913 1.00 0.00 N ATOM 906 CA CYS A 58 11.063 -3.927 -3.412 1.00 0.00 C ATOM 907 C CYS A 58 10.421 -3.023 -2.363 1.00 0.00 C ATOM 908 O CYS A 58 9.573 -3.462 -1.586 1.00 0.00 O ATOM 909 CB CYS A 58 10.232 -3.907 -4.696 1.00 0.00 C ATOM 910 SG CYS A 58 11.141 -3.319 -6.161 1.00 0.00 S ATOM 0 H CYS A 58 10.412 -5.604 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 58 12.062 -3.550 -3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.861 -4.913 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.361 -3.270 -4.542 1.00 0.00 H new ATOM 915 N SER A 59 10.830 -1.758 -2.349 1.00 0.00 N ATOM 916 CA SER A 59 10.298 -0.793 -1.394 1.00 0.00 C ATOM 917 C SER A 59 9.815 0.466 -2.107 1.00 0.00 C ATOM 918 O SER A 59 10.325 1.562 -1.872 1.00 0.00 O ATOM 919 CB SER A 59 11.362 -0.430 -0.357 1.00 0.00 C ATOM 920 OG SER A 59 12.651 -0.384 -0.944 1.00 0.00 O ATOM 0 H SER A 59 11.528 -1.378 -2.988 1.00 0.00 H new ATOM 0 HA SER A 59 9.449 -1.251 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.126 0.537 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.352 -1.162 0.450 1.00 0.00 H new ATOM 0 HG SER A 59 13.313 -0.148 -0.261 1.00 0.00 H new ATOM 926 N THR A 60 8.826 0.302 -2.981 1.00 0.00 N ATOM 927 CA THR A 60 8.274 1.423 -3.730 1.00 0.00 C ATOM 928 C THR A 60 7.041 1.002 -4.521 1.00 0.00 C ATOM 929 O THR A 60 6.869 -0.175 -4.840 1.00 0.00 O ATOM 930 CB THR A 60 9.313 2.019 -4.698 1.00 0.00 C ATOM 931 OG1 THR A 60 10.442 1.144 -4.802 1.00 0.00 O ATOM 932 CG2 THR A 60 9.770 3.391 -4.225 1.00 0.00 C ATOM 0 H THR A 60 8.391 -0.597 -3.187 1.00 0.00 H new ATOM 0 HA THR A 60 7.992 2.182 -3.000 1.00 0.00 H new ATOM 0 HB THR A 60 8.846 2.128 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.098 1.528 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.504 3.791 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.913 4.062 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.222 3.303 -3.237 1.00 0.00 H new ATOM 940 N ASP A 61 6.187 1.969 -4.836 1.00 0.00 N ATOM 941 CA ASP A 61 4.970 1.698 -5.593 1.00 0.00 C ATOM 942 C ASP A 61 5.300 1.302 -7.029 1.00 0.00 C ATOM 943 O ASP A 61 6.104 1.954 -7.696 1.00 0.00 O ATOM 944 CB ASP A 61 4.057 2.925 -5.587 1.00 0.00 C ATOM 945 CG ASP A 61 4.767 4.179 -6.058 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.459 4.813 -5.234 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.632 4.526 -7.250 1.00 0.00 O ATOM 0 H ASP A 61 6.315 2.948 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 61 4.452 0.866 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.196 2.736 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.675 3.085 -4.579 1.00 0.00 H new ATOM 952 N LYS A 62 4.676 0.227 -7.499 1.00 0.00 N ATOM 953 CA LYS A 62 4.902 -0.258 -8.855 1.00 0.00 C ATOM 954 C LYS A 62 6.359 -0.667 -9.051 1.00 0.00 C ATOM 955 O LYS A 62 6.840 -0.767 -10.180 1.00 0.00 O ATOM 956 CB LYS A 62 4.523 0.819 -9.874 1.00 0.00 C ATOM 957 CG LYS A 62 3.129 0.646 -10.452 1.00 0.00 C ATOM 958 CD LYS A 62 2.058 0.829 -9.390 1.00 0.00 C ATOM 959 CE LYS A 62 2.001 2.267 -8.898 1.00 0.00 C ATOM 960 NZ LYS A 62 1.695 3.219 -10.002 1.00 0.00 N ATOM 0 H LYS A 62 4.009 -0.325 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 62 4.272 -1.134 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.591 1.797 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.248 0.809 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.975 1.368 -11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.038 -0.346 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.088 0.544 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.259 0.164 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.241 2.355 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.955 2.533 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.367 4.121 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.553 3.383 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.952 2.819 -10.609 1.00 0.00 H new ATOM 974 N CYS A 63 7.056 -0.904 -7.945 1.00 0.00 N ATOM 975 CA CYS A 63 8.457 -1.303 -7.994 1.00 0.00 C ATOM 976 C CYS A 63 8.586 -2.814 -8.165 1.00 0.00 C ATOM 977 O CYS A 63 9.176 -3.291 -9.133 1.00 0.00 O ATOM 978 CB CYS A 63 9.181 -0.859 -6.721 1.00 0.00 C ATOM 979 SG CYS A 63 10.896 -1.459 -6.593 1.00 0.00 S ATOM 0 H CYS A 63 6.673 -0.826 -7.003 1.00 0.00 H new ATOM 0 HA CYS A 63 8.918 -0.817 -8.854 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.184 0.230 -6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.619 -1.210 -5.855 1.00 0.00 H new ATOM 984 N ASN A 64 8.031 -3.561 -7.216 1.00 0.00 N ATOM 985 CA ASN A 64 8.084 -5.017 -7.261 1.00 0.00 C ATOM 986 C ASN A 64 7.574 -5.539 -8.601 1.00 0.00 C ATOM 987 O ASN A 64 6.387 -5.432 -8.911 1.00 0.00 O ATOM 988 CB ASN A 64 7.256 -5.614 -6.120 1.00 0.00 C ATOM 989 CG ASN A 64 7.942 -6.798 -5.467 1.00 0.00 C ATOM 990 OD1 ASN A 64 9.155 -6.970 -5.584 1.00 0.00 O ATOM 991 ND2 ASN A 64 7.165 -7.623 -4.774 1.00 0.00 N ATOM 0 H ASN A 64 7.540 -3.182 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 64 9.124 -5.321 -7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.070 -4.846 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.285 -5.926 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.570 -8.438 -4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.164 -7.442 -4.703 1.00 0.00 H new ATOM 998 N LYS A 65 8.479 -6.106 -9.392 1.00 0.00 N ATOM 999 CA LYS A 65 8.122 -6.647 -10.698 1.00 0.00 C ATOM 1000 C LYS A 65 7.116 -7.784 -10.560 1.00 0.00 C ATOM 1001 O LYS A 65 7.243 -8.822 -11.210 1.00 0.00 O ATOM 1002 CB LYS A 65 9.374 -7.145 -11.425 1.00 0.00 C ATOM 1003 CG LYS A 65 9.221 -7.192 -12.936 1.00 0.00 C ATOM 1004 CD LYS A 65 9.673 -5.894 -13.583 1.00 0.00 C ATOM 1005 CE LYS A 65 9.427 -5.903 -15.084 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.459 -6.693 -15.810 1.00 0.00 N ATOM 0 H LYS A 65 9.465 -6.203 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 65 7.663 -5.849 -11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.213 -6.496 -11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.622 -8.142 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.804 -8.021 -13.336 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.179 -7.383 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.141 -5.057 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.734 -5.740 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.441 -6.320 -15.288 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.424 -4.879 -15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.256 -6.675 -16.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.398 -6.281 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.445 -7.676 -15.472 1.00 0.00 H new