USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 56 SER OG : rot 46:sc= 1.14 USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.39 K(o=-1.2,f=-2.8!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.35 K(o=2.5,f=-8.6!) USER MOD Set 2.2: A 49 THR OG1 : rot 103:sc= 1.17 USER MOD Set 3.1: A 2 THR OG1 : rot -109:sc= 1.17 USER MOD Set 3.2: A 5 GLN : amide:sc= 0.83 K(o=2,f=-1.8) USER MOD Single : A 1 LEU N :NH3+ -118:sc= 0.0981 (180deg=-0.897) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00485) USER MOD Single : A 9 SER OG : rot 70:sc= 1.14 USER MOD Single : A 10 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.001) USER MOD Single : A 15 HIS : no HE2:sc= 0.765 K(o=0.77,f=-4.1!) USER MOD Single : A 18 SER OG : rot 85:sc= 1.3 USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0.95 (180deg=0.942) USER MOD Single : A 26 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 28 ASN : amide:sc= 1.52 K(o=1.5,f=-3.8!) USER MOD Single : A 29 TYR OH : rot -176:sc= 1.23 USER MOD Single : A 33 GLN : amide:sc= 2.84 K(o=2.8,f=-6.8!) USER MOD Single : A 35 TYR OH : rot -26:sc= 1.24 USER MOD Single : A 37 SER OG : rot 157:sc= 0.954 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -92:sc= 1.89 USER MOD Single : A 59 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 61 ASN : amide:sc=-0.00146 K(o=-0.0015,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.008 11.308 0.722 1.00 0.00 N ATOM 2 CA LEU A 1 13.105 10.163 0.677 1.00 0.00 C ATOM 3 C LEU A 1 12.233 10.092 1.945 1.00 0.00 C ATOM 4 O LEU A 1 12.430 10.875 2.875 1.00 0.00 O ATOM 5 CB LEU A 1 13.917 8.877 0.402 1.00 0.00 C ATOM 6 CG LEU A 1 14.529 8.150 1.623 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.154 6.827 1.169 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.605 8.972 2.337 1.00 0.00 C ATOM 0 H1 LEU A 1 13.791 11.952 -0.065 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.887 11.810 1.625 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.991 10.978 0.638 1.00 0.00 H new ATOM 0 HA LEU A 1 12.400 10.277 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.268 8.173 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.728 9.130 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 1 13.714 7.987 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.585 6.314 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.386 6.198 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.936 7.026 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.993 8.406 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.417 9.190 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.172 9.907 2.694 1.00 0.00 H new ATOM 20 N THR A 2 11.288 9.145 1.999 1.00 0.00 N ATOM 21 CA THR A 2 10.394 8.921 3.137 1.00 0.00 C ATOM 22 C THR A 2 10.358 7.457 3.581 1.00 0.00 C ATOM 23 O THR A 2 10.896 6.574 2.909 1.00 0.00 O ATOM 24 CB THR A 2 8.959 9.415 2.861 1.00 0.00 C ATOM 25 OG1 THR A 2 8.270 8.492 2.044 1.00 0.00 O ATOM 26 CG2 THR A 2 8.882 10.813 2.245 1.00 0.00 C ATOM 0 H THR A 2 11.121 8.496 1.230 1.00 0.00 H new ATOM 0 HA THR A 2 10.814 9.512 3.951 1.00 0.00 H new ATOM 0 HB THR A 2 8.482 9.488 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.153 8.872 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.838 11.082 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.343 11.534 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.410 10.820 1.292 1.00 0.00 H new ATOM 34 N LYS A 3 9.640 7.184 4.685 1.00 0.00 N ATOM 35 CA LYS A 3 9.350 5.833 5.179 1.00 0.00 C ATOM 36 C LYS A 3 8.770 4.925 4.086 1.00 0.00 C ATOM 37 O LYS A 3 9.101 3.741 4.053 1.00 0.00 O ATOM 38 CB LYS A 3 8.420 5.921 6.400 1.00 0.00 C ATOM 39 CG LYS A 3 8.304 4.574 7.132 1.00 0.00 C ATOM 40 CD LYS A 3 7.283 4.645 8.277 1.00 0.00 C ATOM 41 CE LYS A 3 6.963 3.257 8.841 1.00 0.00 C ATOM 42 NZ LYS A 3 8.145 2.614 9.446 1.00 0.00 N ATOM 0 H LYS A 3 9.237 7.916 5.270 1.00 0.00 H new ATOM 0 HA LYS A 3 10.289 5.371 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.796 6.677 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.430 6.246 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.008 3.799 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.278 4.288 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.673 5.280 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.366 5.112 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.176 3.344 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.575 2.623 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.873 1.692 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.875 2.475 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.521 3.220 10.203 1.00 0.00 H new ATOM 56 N CYS A 4 7.987 5.478 3.150 1.00 0.00 N ATOM 57 CA CYS A 4 7.515 4.739 1.984 1.00 0.00 C ATOM 58 C CYS A 4 8.697 4.265 1.129 1.00 0.00 C ATOM 59 O CYS A 4 8.898 3.065 0.982 1.00 0.00 O ATOM 60 CB CYS A 4 6.507 5.579 1.191 1.00 0.00 C ATOM 61 SG CYS A 4 5.597 4.611 -0.037 1.00 0.00 S ATOM 0 H CYS A 4 7.667 6.446 3.184 1.00 0.00 H new ATOM 0 HA CYS A 4 6.990 3.843 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.800 6.037 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.033 6.391 0.689 1.00 0.00 H new ATOM 66 N GLN A 5 9.521 5.189 0.616 1.00 0.00 N ATOM 67 CA GLN A 5 10.706 4.859 -0.187 1.00 0.00 C ATOM 68 C GLN A 5 11.669 3.912 0.536 1.00 0.00 C ATOM 69 O GLN A 5 12.220 3.012 -0.097 1.00 0.00 O ATOM 70 CB GLN A 5 11.463 6.136 -0.578 1.00 0.00 C ATOM 71 CG GLN A 5 10.797 6.941 -1.699 1.00 0.00 C ATOM 72 CD GLN A 5 9.750 7.884 -1.139 1.00 0.00 C ATOM 73 OE1 GLN A 5 10.070 8.937 -0.614 1.00 0.00 O ATOM 74 NE2 GLN A 5 8.484 7.523 -1.176 1.00 0.00 N ATOM 0 H GLN A 5 9.383 6.191 0.747 1.00 0.00 H new ATOM 0 HA GLN A 5 10.339 4.348 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.560 6.771 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.472 5.866 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.552 7.510 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.335 6.261 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.218 6.642 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.770 8.124 -0.765 1.00 0.00 H new ATOM 83 N GLU A 6 11.857 4.088 1.847 1.00 0.00 N ATOM 84 CA GLU A 6 12.639 3.186 2.691 1.00 0.00 C ATOM 85 C GLU A 6 12.038 1.781 2.680 1.00 0.00 C ATOM 86 O GLU A 6 12.708 0.837 2.278 1.00 0.00 O ATOM 87 CB GLU A 6 12.694 3.730 4.121 1.00 0.00 C ATOM 88 CG GLU A 6 13.577 4.981 4.238 1.00 0.00 C ATOM 89 CD GLU A 6 13.459 5.614 5.622 1.00 0.00 C ATOM 90 OE1 GLU A 6 14.162 5.131 6.536 1.00 0.00 O ATOM 91 OE2 GLU A 6 12.655 6.563 5.754 1.00 0.00 O ATOM 0 H GLU A 6 11.462 4.877 2.359 1.00 0.00 H new ATOM 0 HA GLU A 6 13.652 3.126 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.684 3.969 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.075 2.956 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.616 4.715 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.287 5.706 3.478 1.00 0.00 H new ATOM 98 N GLU A 7 10.771 1.629 3.076 1.00 0.00 N ATOM 99 CA GLU A 7 10.104 0.323 3.110 1.00 0.00 C ATOM 100 C GLU A 7 10.058 -0.346 1.731 1.00 0.00 C ATOM 101 O GLU A 7 10.304 -1.543 1.643 1.00 0.00 O ATOM 102 CB GLU A 7 8.689 0.454 3.685 1.00 0.00 C ATOM 103 CG GLU A 7 8.704 0.691 5.203 1.00 0.00 C ATOM 104 CD GLU A 7 7.298 0.845 5.791 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.427 1.429 5.102 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.113 0.394 6.942 1.00 0.00 O ATOM 0 H GLU A 7 10.181 2.403 3.381 1.00 0.00 H new ATOM 0 HA GLU A 7 10.697 -0.319 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.173 1.279 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.123 -0.451 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.209 -0.142 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.285 1.587 5.421 1.00 0.00 H new ATOM 113 N VAL A 8 9.791 0.412 0.661 1.00 0.00 N ATOM 114 CA VAL A 8 9.773 -0.092 -0.722 1.00 0.00 C ATOM 115 C VAL A 8 11.176 -0.472 -1.221 1.00 0.00 C ATOM 116 O VAL A 8 11.320 -1.357 -2.063 1.00 0.00 O ATOM 117 CB VAL A 8 9.106 0.941 -1.653 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.062 0.519 -3.128 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.632 1.120 -1.262 1.00 0.00 C ATOM 0 H VAL A 8 9.578 1.407 0.730 1.00 0.00 H new ATOM 0 HA VAL A 8 9.183 -1.008 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 8 9.711 1.841 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.578 1.299 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.078 0.367 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.499 -0.409 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.166 1.851 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.113 0.166 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.569 1.471 -0.232 1.00 0.00 H new ATOM 129 N SER A 9 12.217 0.177 -0.693 1.00 0.00 N ATOM 130 CA SER A 9 13.618 -0.220 -0.903 1.00 0.00 C ATOM 131 C SER A 9 13.981 -1.486 -0.112 1.00 0.00 C ATOM 132 O SER A 9 14.596 -2.396 -0.662 1.00 0.00 O ATOM 133 CB SER A 9 14.585 0.906 -0.515 1.00 0.00 C ATOM 134 OG SER A 9 14.289 2.096 -1.215 1.00 0.00 O ATOM 0 H SER A 9 12.113 1.001 -0.101 1.00 0.00 H new ATOM 0 HA SER A 9 13.718 -0.430 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.525 1.087 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.609 0.600 -0.729 1.00 0.00 H new ATOM 0 HG SER A 9 13.444 2.468 -0.886 1.00 0.00 H new ATOM 140 N HIS A 10 13.643 -1.535 1.183 1.00 0.00 N ATOM 141 CA HIS A 10 14.002 -2.621 2.103 1.00 0.00 C ATOM 142 C HIS A 10 13.198 -3.908 1.865 1.00 0.00 C ATOM 143 O HIS A 10 13.738 -4.998 2.041 1.00 0.00 O ATOM 144 CB HIS A 10 13.827 -2.144 3.552 1.00 0.00 C ATOM 145 CG HIS A 10 14.643 -0.925 3.917 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.874 -0.571 3.408 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.265 0.055 4.794 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.220 0.605 3.963 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.270 1.025 4.813 1.00 0.00 N ATOM 0 H HIS A 10 13.097 -0.800 1.632 1.00 0.00 H new ATOM 0 HA HIS A 10 15.045 -2.872 1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.773 -1.924 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.096 -2.959 4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.351 0.075 5.370 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.136 1.138 3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.280 1.883 5.364 1.00 0.00 H new ATOM 157 N ILE A 11 11.929 -3.791 1.455 1.00 0.00 N ATOM 158 CA ILE A 11 11.085 -4.886 0.980 1.00 0.00 C ATOM 159 C ILE A 11 11.154 -4.853 -0.557 1.00 0.00 C ATOM 160 O ILE A 11 10.502 -3.998 -1.155 1.00 0.00 O ATOM 161 CB ILE A 11 9.625 -4.742 1.480 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.542 -4.649 3.023 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.800 -5.936 0.966 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.159 -4.223 3.535 1.00 0.00 C ATOM 0 H ILE A 11 11.446 -2.893 1.446 1.00 0.00 H new ATOM 0 HA ILE A 11 11.439 -5.841 1.369 1.00 0.00 H new ATOM 0 HB ILE A 11 9.219 -3.810 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.797 -5.618 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.287 -3.937 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.771 -5.843 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.816 -5.947 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.228 -6.864 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.172 -4.178 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.910 -3.240 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.412 -4.947 3.211 1.00 0.00 H new ATOM 176 N PRO A 12 11.946 -5.718 -1.217 1.00 0.00 N ATOM 177 CA PRO A 12 12.078 -5.715 -2.674 1.00 0.00 C ATOM 178 C PRO A 12 10.838 -6.305 -3.363 1.00 0.00 C ATOM 179 O PRO A 12 9.980 -6.912 -2.724 1.00 0.00 O ATOM 180 CB PRO A 12 13.325 -6.567 -2.941 1.00 0.00 C ATOM 181 CG PRO A 12 13.268 -7.601 -1.819 1.00 0.00 C ATOM 182 CD PRO A 12 12.762 -6.776 -0.638 1.00 0.00 C ATOM 0 HA PRO A 12 12.168 -4.705 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.293 -7.035 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.238 -5.973 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.594 -8.423 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.246 -8.038 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.178 -7.390 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.592 -6.362 -0.066 1.00 0.00 H new ATOM 190 N ALA A 13 10.799 -6.227 -4.700 1.00 0.00 N ATOM 191 CA ALA A 13 9.767 -6.849 -5.537 1.00 0.00 C ATOM 192 C ALA A 13 9.627 -8.375 -5.325 1.00 0.00 C ATOM 193 O ALA A 13 8.577 -8.947 -5.609 1.00 0.00 O ATOM 194 CB ALA A 13 10.073 -6.522 -7.002 1.00 0.00 C ATOM 0 H ALA A 13 11.499 -5.719 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 13 8.803 -6.435 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.316 -6.976 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.066 -5.441 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.055 -6.916 -7.265 1.00 0.00 H new ATOM 200 N VAL A 14 10.654 -9.033 -4.774 1.00 0.00 N ATOM 201 CA VAL A 14 10.612 -10.420 -4.305 1.00 0.00 C ATOM 202 C VAL A 14 10.145 -10.412 -2.843 1.00 0.00 C ATOM 203 O VAL A 14 10.939 -10.563 -1.917 1.00 0.00 O ATOM 204 CB VAL A 14 11.974 -11.125 -4.507 1.00 0.00 C ATOM 205 CG1 VAL A 14 11.889 -12.619 -4.157 1.00 0.00 C ATOM 206 CG2 VAL A 14 12.444 -11.029 -5.968 1.00 0.00 C ATOM 0 H VAL A 14 11.567 -8.599 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 14 9.903 -11.002 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 14 12.677 -10.618 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.863 -13.084 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.592 -12.732 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.151 -13.102 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.404 -11.534 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.709 -11.504 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.553 -9.981 -6.247 1.00 0.00 H new ATOM 216 N HIS A 15 8.835 -10.224 -2.646 1.00 0.00 N ATOM 217 CA HIS A 15 8.173 -10.191 -1.334 1.00 0.00 C ATOM 218 C HIS A 15 7.250 -11.419 -1.137 1.00 0.00 C ATOM 219 O HIS A 15 6.022 -11.292 -1.146 1.00 0.00 O ATOM 220 CB HIS A 15 7.494 -8.824 -1.123 1.00 0.00 C ATOM 221 CG HIS A 15 6.460 -8.419 -2.147 1.00 0.00 C ATOM 222 ND1 HIS A 15 5.096 -8.558 -2.029 1.00 0.00 N ATOM 223 CD2 HIS A 15 6.695 -7.744 -3.313 1.00 0.00 C ATOM 224 CE1 HIS A 15 4.529 -7.994 -3.108 1.00 0.00 C ATOM 225 NE2 HIS A 15 5.464 -7.482 -3.920 1.00 0.00 N ATOM 0 H HIS A 15 8.184 -10.086 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 15 8.914 -10.282 -0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.019 -8.827 -0.142 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.269 -8.058 -1.100 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.603 -9.009 -1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.664 -7.462 -3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.466 -7.958 -3.295 1.00 0.00 H new ATOM 233 N PRO A 16 7.811 -12.634 -0.941 1.00 0.00 N ATOM 234 CA PRO A 16 7.061 -13.891 -0.962 1.00 0.00 C ATOM 235 C PRO A 16 5.944 -13.921 0.084 1.00 0.00 C ATOM 236 O PRO A 16 6.188 -13.734 1.280 1.00 0.00 O ATOM 237 CB PRO A 16 8.090 -15.011 -0.774 1.00 0.00 C ATOM 238 CG PRO A 16 9.255 -14.313 -0.077 1.00 0.00 C ATOM 239 CD PRO A 16 9.217 -12.913 -0.680 1.00 0.00 C ATOM 0 HA PRO A 16 6.537 -14.016 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.691 -15.825 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.393 -15.442 -1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.125 -14.291 1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.203 -14.813 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.641 -12.180 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.802 -12.866 -1.598 1.00 0.00 H new ATOM 247 N GLY A 17 4.702 -14.069 -0.401 1.00 0.00 N ATOM 248 CA GLY A 17 3.453 -14.027 0.371 1.00 0.00 C ATOM 249 C GLY A 17 3.262 -12.778 1.243 1.00 0.00 C ATOM 250 O GLY A 17 2.294 -12.716 2.008 1.00 0.00 O ATOM 0 H GLY A 17 4.534 -14.230 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.614 -14.098 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.412 -14.907 1.012 1.00 0.00 H new ATOM 254 N SER A 18 4.129 -11.773 1.103 1.00 0.00 N ATOM 255 CA SER A 18 4.264 -10.632 2.007 1.00 0.00 C ATOM 256 C SER A 18 3.745 -9.334 1.388 1.00 0.00 C ATOM 257 O SER A 18 3.618 -9.226 0.168 1.00 0.00 O ATOM 258 CB SER A 18 5.749 -10.506 2.373 1.00 0.00 C ATOM 259 OG SER A 18 6.229 -11.703 2.963 1.00 0.00 O ATOM 0 H SER A 18 4.784 -11.732 0.322 1.00 0.00 H new ATOM 0 HA SER A 18 3.657 -10.803 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.330 -10.278 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.888 -9.674 3.064 1.00 0.00 H new ATOM 0 HG SER A 18 6.496 -12.330 2.259 1.00 0.00 H new ATOM 265 N PHE A 19 3.433 -8.339 2.223 1.00 0.00 N ATOM 266 CA PHE A 19 3.060 -7.002 1.760 1.00 0.00 C ATOM 267 C PHE A 19 4.303 -6.207 1.335 1.00 0.00 C ATOM 268 O PHE A 19 5.370 -6.348 1.931 1.00 0.00 O ATOM 269 CB PHE A 19 2.301 -6.271 2.880 1.00 0.00 C ATOM 270 CG PHE A 19 1.984 -4.813 2.585 1.00 0.00 C ATOM 271 CD1 PHE A 19 1.117 -4.471 1.529 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.588 -3.790 3.343 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.848 -3.120 1.243 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.314 -2.439 3.060 1.00 0.00 C ATOM 275 CZ PHE A 19 1.441 -2.104 2.011 1.00 0.00 C ATOM 0 H PHE A 19 3.432 -8.439 3.238 1.00 0.00 H new ATOM 0 HA PHE A 19 2.412 -7.092 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.368 -6.800 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.892 -6.323 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.657 -5.248 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.265 -4.044 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.184 -2.863 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.775 -1.660 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.226 -1.068 1.796 1.00 0.00 H new ATOM 285 N ARG A 20 4.130 -5.322 0.346 1.00 0.00 N ATOM 286 CA ARG A 20 5.091 -4.308 -0.087 1.00 0.00 C ATOM 287 C ARG A 20 4.313 -3.011 -0.356 1.00 0.00 C ATOM 288 O ARG A 20 3.337 -3.070 -1.107 1.00 0.00 O ATOM 289 CB ARG A 20 5.830 -4.797 -1.342 1.00 0.00 C ATOM 290 CG ARG A 20 6.945 -3.828 -1.761 1.00 0.00 C ATOM 291 CD ARG A 20 7.623 -4.303 -3.047 1.00 0.00 C ATOM 292 NE ARG A 20 8.857 -3.545 -3.292 1.00 0.00 N ATOM 293 CZ ARG A 20 9.335 -3.091 -4.438 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.701 -3.269 -5.571 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.472 -2.438 -4.439 1.00 0.00 N ATOM 0 H ARG A 20 3.269 -5.295 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 20 5.843 -4.124 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.257 -5.782 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.120 -4.910 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.530 -2.831 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.683 -3.749 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.852 -5.366 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.942 -4.182 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 20 9.421 -3.341 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.813 -3.770 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.096 -2.907 -6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.974 -2.287 -3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.854 -2.081 -5.315 1.00 0.00 H new ATOM 309 N PRO A 21 4.671 -1.869 0.264 1.00 0.00 N ATOM 310 CA PRO A 21 3.979 -0.606 0.024 1.00 0.00 C ATOM 311 C PRO A 21 4.242 -0.020 -1.376 1.00 0.00 C ATOM 312 O PRO A 21 5.031 -0.541 -2.163 1.00 0.00 O ATOM 313 CB PRO A 21 4.406 0.324 1.167 1.00 0.00 C ATOM 314 CG PRO A 21 5.727 -0.251 1.674 1.00 0.00 C ATOM 315 CD PRO A 21 5.679 -1.731 1.305 1.00 0.00 C ATOM 0 HA PRO A 21 2.898 -0.748 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.531 1.348 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.656 0.347 1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.578 0.245 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.829 -0.115 2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.651 -2.073 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.424 -2.339 2.173 1.00 0.00 H new ATOM 323 N LYS A 22 3.539 1.073 -1.686 1.00 0.00 N ATOM 324 CA LYS A 22 3.571 1.815 -2.953 1.00 0.00 C ATOM 325 C LYS A 22 3.635 3.323 -2.683 1.00 0.00 C ATOM 326 O LYS A 22 2.968 3.804 -1.764 1.00 0.00 O ATOM 327 CB LYS A 22 2.320 1.478 -3.793 1.00 0.00 C ATOM 328 CG LYS A 22 2.218 0.030 -4.303 1.00 0.00 C ATOM 329 CD LYS A 22 1.500 -0.941 -3.352 1.00 0.00 C ATOM 330 CE LYS A 22 1.456 -2.325 -4.004 1.00 0.00 C ATOM 331 NZ LYS A 22 1.180 -3.386 -3.018 1.00 0.00 N ATOM 0 H LYS A 22 2.891 1.491 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 22 4.461 1.522 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.436 1.694 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.293 2.147 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.695 0.033 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.224 -0.345 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.023 -0.990 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.490 -0.589 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.688 -2.338 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.407 -2.525 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.208 -4.313 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.898 -3.357 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.238 -3.237 -2.603 1.00 0.00 H new ATOM 345 N CYS A 23 4.365 4.076 -3.513 1.00 0.00 N ATOM 346 CA CYS A 23 4.601 5.526 -3.400 1.00 0.00 C ATOM 347 C CYS A 23 4.499 6.199 -4.774 1.00 0.00 C ATOM 348 O CYS A 23 4.596 5.533 -5.803 1.00 0.00 O ATOM 349 CB CYS A 23 6.019 5.791 -2.839 1.00 0.00 C ATOM 350 SG CYS A 23 6.759 4.580 -1.703 1.00 0.00 S ATOM 0 H CYS A 23 4.833 3.673 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 23 3.845 5.936 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.694 5.900 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.995 6.752 -2.325 1.00 0.00 H new ATOM 355 N ASP A 24 4.367 7.529 -4.790 1.00 0.00 N ATOM 356 CA ASP A 24 4.478 8.348 -5.996 1.00 0.00 C ATOM 357 C ASP A 24 5.592 9.406 -5.906 1.00 0.00 C ATOM 358 O ASP A 24 6.278 9.522 -4.892 1.00 0.00 O ATOM 359 CB ASP A 24 3.115 8.920 -6.420 1.00 0.00 C ATOM 360 CG ASP A 24 2.561 9.976 -5.475 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.073 11.117 -5.555 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.614 9.640 -4.728 1.00 0.00 O ATOM 0 H ASP A 24 4.177 8.074 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 24 4.794 7.686 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.209 9.353 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.398 8.103 -6.494 1.00 0.00 H new ATOM 367 N GLU A 25 5.782 10.177 -6.984 1.00 0.00 N ATOM 368 CA GLU A 25 6.907 11.097 -7.188 1.00 0.00 C ATOM 369 C GLU A 25 6.987 12.245 -6.175 1.00 0.00 C ATOM 370 O GLU A 25 8.017 12.911 -6.105 1.00 0.00 O ATOM 371 CB GLU A 25 6.914 11.634 -8.636 1.00 0.00 C ATOM 372 CG GLU A 25 5.870 12.716 -8.992 1.00 0.00 C ATOM 373 CD GLU A 25 4.409 12.249 -9.014 1.00 0.00 C ATOM 374 OE1 GLU A 25 4.181 11.025 -9.149 1.00 0.00 O ATOM 375 OE2 GLU A 25 3.529 13.131 -8.897 1.00 0.00 O ATOM 0 H GLU A 25 5.130 10.177 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 25 7.804 10.503 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.905 12.040 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.769 10.790 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.961 13.532 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.117 13.124 -9.972 1.00 0.00 H new ATOM 382 N ASN A 26 5.936 12.458 -5.376 1.00 0.00 N ATOM 383 CA ASN A 26 5.958 13.438 -4.284 1.00 0.00 C ATOM 384 C ASN A 26 6.503 12.828 -2.973 1.00 0.00 C ATOM 385 O ASN A 26 6.581 13.515 -1.958 1.00 0.00 O ATOM 386 CB ASN A 26 4.567 14.076 -4.125 1.00 0.00 C ATOM 387 CG ASN A 26 4.029 14.620 -5.439 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.363 15.711 -5.871 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.203 13.852 -6.122 1.00 0.00 N ATOM 0 H ASN A 26 5.051 11.959 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 26 6.655 14.236 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.873 13.335 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.621 14.883 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.837 14.168 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.930 12.941 -5.752 1.00 0.00 H new ATOM 396 N GLY A 27 6.899 11.545 -2.992 1.00 0.00 N ATOM 397 CA GLY A 27 7.554 10.834 -1.894 1.00 0.00 C ATOM 398 C GLY A 27 6.590 10.228 -0.870 1.00 0.00 C ATOM 399 O GLY A 27 7.032 9.566 0.071 1.00 0.00 O ATOM 0 H GLY A 27 6.763 10.953 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.171 10.038 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.225 11.522 -1.380 1.00 0.00 H new ATOM 403 N ASN A 28 5.282 10.410 -1.046 1.00 0.00 N ATOM 404 CA ASN A 28 4.251 9.941 -0.125 1.00 0.00 C ATOM 405 C ASN A 28 3.853 8.502 -0.450 1.00 0.00 C ATOM 406 O ASN A 28 4.108 8.023 -1.557 1.00 0.00 O ATOM 407 CB ASN A 28 3.020 10.851 -0.276 1.00 0.00 C ATOM 408 CG ASN A 28 2.484 10.830 -1.699 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.076 11.412 -2.590 1.00 0.00 O ATOM 410 ND2 ASN A 28 1.416 10.119 -1.985 1.00 0.00 N ATOM 0 H ASN A 28 4.901 10.901 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 28 4.635 9.972 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.240 10.527 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.285 11.872 -0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.088 10.057 -2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.916 9.629 -1.243 1.00 0.00 H new ATOM 417 N TYR A 29 3.156 7.848 0.481 1.00 0.00 N ATOM 418 CA TYR A 29 2.494 6.584 0.176 1.00 0.00 C ATOM 419 C TYR A 29 1.406 6.884 -0.859 1.00 0.00 C ATOM 420 O TYR A 29 0.632 7.832 -0.686 1.00 0.00 O ATOM 421 CB TYR A 29 1.895 5.952 1.438 1.00 0.00 C ATOM 422 CG TYR A 29 2.920 5.402 2.413 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.560 6.268 3.320 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.217 4.024 2.433 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.479 5.765 4.256 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.148 3.514 3.361 1.00 0.00 C ATOM 427 CZ TYR A 29 4.774 4.387 4.279 1.00 0.00 C ATOM 428 OH TYR A 29 5.675 3.923 5.181 1.00 0.00 O ATOM 0 H TYR A 29 3.037 8.170 1.441 1.00 0.00 H new ATOM 0 HA TYR A 29 3.211 5.864 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.289 6.699 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.224 5.145 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.343 7.326 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.730 3.358 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.958 6.433 4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.382 2.460 3.370 1.00 0.00 H new ATOM 0 HH TYR A 29 5.822 2.965 5.034 1.00 0.00 H new ATOM 438 N LEU A 30 1.370 6.109 -1.949 1.00 0.00 N ATOM 439 CA LEU A 30 0.308 6.198 -2.950 1.00 0.00 C ATOM 440 C LEU A 30 -1.033 6.013 -2.210 1.00 0.00 C ATOM 441 O LEU A 30 -1.119 5.105 -1.380 1.00 0.00 O ATOM 442 CB LEU A 30 0.511 5.131 -4.048 1.00 0.00 C ATOM 443 CG LEU A 30 1.036 5.678 -5.386 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.441 4.521 -6.303 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.011 6.539 -6.130 1.00 0.00 C ATOM 0 H LEU A 30 2.077 5.404 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 30 0.321 7.165 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.208 4.379 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.439 4.626 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 30 1.891 6.308 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.811 4.918 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.225 3.934 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.576 3.886 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.444 6.893 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.877 5.944 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.265 7.393 -5.511 1.00 0.00 H new ATOM 457 N PRO A 31 -2.084 6.815 -2.470 1.00 0.00 N ATOM 458 CA PRO A 31 -3.279 6.829 -1.628 1.00 0.00 C ATOM 459 C PRO A 31 -4.102 5.533 -1.654 1.00 0.00 C ATOM 460 O PRO A 31 -5.010 5.401 -0.844 1.00 0.00 O ATOM 461 CB PRO A 31 -4.075 8.057 -2.070 1.00 0.00 C ATOM 462 CG PRO A 31 -3.681 8.213 -3.535 1.00 0.00 C ATOM 463 CD PRO A 31 -2.209 7.799 -3.532 1.00 0.00 C ATOM 0 HA PRO A 31 -2.994 6.889 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.148 7.905 -1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.813 8.939 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.280 7.576 -4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.813 9.237 -3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.918 7.377 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.561 8.656 -3.351 1.00 0.00 H new ATOM 471 N LEU A 32 -3.771 4.567 -2.520 1.00 0.00 N ATOM 472 CA LEU A 32 -4.285 3.198 -2.536 1.00 0.00 C ATOM 473 C LEU A 32 -3.117 2.245 -2.237 1.00 0.00 C ATOM 474 O LEU A 32 -2.043 2.384 -2.824 1.00 0.00 O ATOM 475 CB LEU A 32 -4.890 2.911 -3.924 1.00 0.00 C ATOM 476 CG LEU A 32 -5.499 1.500 -4.075 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.874 1.374 -3.423 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.656 1.163 -5.559 1.00 0.00 C ATOM 0 H LEU A 32 -3.099 4.733 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.062 3.058 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.663 3.651 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.115 3.042 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.815 0.814 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.251 0.361 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.792 1.588 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.562 2.083 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.086 0.167 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.314 1.893 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.680 1.189 -6.043 1.00 0.00 H new ATOM 490 N GLN A 33 -3.342 1.249 -1.375 1.00 0.00 N ATOM 491 CA GLN A 33 -2.419 0.136 -1.134 1.00 0.00 C ATOM 492 C GLN A 33 -3.200 -1.188 -1.213 1.00 0.00 C ATOM 493 O GLN A 33 -4.401 -1.222 -0.936 1.00 0.00 O ATOM 494 CB GLN A 33 -1.752 0.283 0.246 1.00 0.00 C ATOM 495 CG GLN A 33 -1.044 1.621 0.543 1.00 0.00 C ATOM 496 CD GLN A 33 0.294 1.839 -0.161 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.222 1.050 -0.050 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.484 2.958 -0.829 1.00 0.00 N ATOM 0 H GLN A 33 -4.191 1.193 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.635 0.142 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.514 0.127 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.022 -0.518 0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.715 2.434 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.883 1.693 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.279 3.627 -0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.394 3.156 -1.244 1.00 0.00 H new ATOM 507 N CYS A 34 -2.523 -2.286 -1.568 1.00 0.00 N ATOM 508 CA CYS A 34 -3.122 -3.620 -1.688 1.00 0.00 C ATOM 509 C CYS A 34 -2.192 -4.717 -1.158 1.00 0.00 C ATOM 510 O CYS A 34 -0.972 -4.548 -1.157 1.00 0.00 O ATOM 511 CB CYS A 34 -3.470 -3.905 -3.158 1.00 0.00 C ATOM 512 SG CYS A 34 -4.614 -2.768 -3.991 1.00 0.00 S ATOM 0 H CYS A 34 -1.526 -2.272 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.027 -3.629 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.540 -3.920 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.894 -4.908 -3.214 1.00 0.00 H new ATOM 517 N TYR A 35 -2.769 -5.862 -0.773 1.00 0.00 N ATOM 518 CA TYR A 35 -2.037 -7.041 -0.309 1.00 0.00 C ATOM 519 C TYR A 35 -2.664 -8.336 -0.853 1.00 0.00 C ATOM 520 O TYR A 35 -3.691 -8.814 -0.367 1.00 0.00 O ATOM 521 CB TYR A 35 -1.934 -7.029 1.226 1.00 0.00 C ATOM 522 CG TYR A 35 -1.112 -8.143 1.863 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.143 -8.867 1.135 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.314 -8.443 3.226 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.579 -9.903 1.748 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.573 -9.463 3.850 1.00 0.00 C ATOM 527 CZ TYR A 35 0.374 -10.203 3.112 1.00 0.00 C ATOM 528 OH TYR A 35 1.075 -11.202 3.715 1.00 0.00 O ATOM 0 H TYR A 35 -3.780 -5.995 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.022 -7.007 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.508 -6.074 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.943 -7.073 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.044 -8.622 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.043 -7.885 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.294 -10.473 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.730 -9.680 4.896 1.00 0.00 H new ATOM 0 HH TYR A 35 1.344 -11.864 3.044 1.00 0.00 H new ATOM 538 N GLY A 36 -2.023 -8.904 -1.883 1.00 0.00 N ATOM 539 CA GLY A 36 -2.491 -10.082 -2.617 1.00 0.00 C ATOM 540 C GLY A 36 -2.813 -11.300 -1.746 1.00 0.00 C ATOM 541 O GLY A 36 -3.834 -11.938 -1.977 1.00 0.00 O ATOM 0 H GLY A 36 -1.137 -8.543 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.384 -9.810 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.730 -10.365 -3.344 1.00 0.00 H new ATOM 545 N SER A 37 -1.998 -11.603 -0.725 1.00 0.00 N ATOM 546 CA SER A 37 -2.164 -12.791 0.133 1.00 0.00 C ATOM 547 C SER A 37 -3.474 -12.827 0.929 1.00 0.00 C ATOM 548 O SER A 37 -3.867 -13.898 1.383 1.00 0.00 O ATOM 549 CB SER A 37 -1.004 -12.910 1.121 1.00 0.00 C ATOM 550 OG SER A 37 0.231 -12.833 0.441 1.00 0.00 O ATOM 0 H SER A 37 -1.197 -11.027 -0.467 1.00 0.00 H new ATOM 0 HA SER A 37 -2.184 -13.630 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.068 -12.115 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.072 -13.855 1.659 1.00 0.00 H new ATOM 0 HG SER A 37 0.929 -12.537 1.062 1.00 0.00 H new ATOM 556 N ILE A 38 -4.158 -11.686 1.082 1.00 0.00 N ATOM 557 CA ILE A 38 -5.496 -11.577 1.664 1.00 0.00 C ATOM 558 C ILE A 38 -6.550 -11.145 0.629 1.00 0.00 C ATOM 559 O ILE A 38 -7.729 -11.068 0.959 1.00 0.00 O ATOM 560 CB ILE A 38 -5.461 -10.643 2.894 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.949 -9.227 2.557 1.00 0.00 C ATOM 562 CG2 ILE A 38 -4.637 -11.290 4.023 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.134 -8.215 3.693 1.00 0.00 C ATOM 0 H ILE A 38 -3.779 -10.784 0.793 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.804 -12.567 1.999 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.488 -10.513 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.891 -9.285 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.470 -8.864 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.617 -10.625 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.091 -12.239 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.618 -11.464 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.750 -7.244 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.194 -8.127 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.590 -8.554 4.574 1.00 0.00 H new ATOM 575 N GLY A 39 -6.146 -10.876 -0.621 1.00 0.00 N ATOM 576 CA GLY A 39 -7.026 -10.468 -1.715 1.00 0.00 C ATOM 577 C GLY A 39 -7.634 -9.072 -1.552 1.00 0.00 C ATOM 578 O GLY A 39 -8.678 -8.809 -2.142 1.00 0.00 O ATOM 0 H GLY A 39 -5.168 -10.940 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.464 -10.499 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.834 -11.194 -1.805 1.00 0.00 H new ATOM 582 N TYR A 40 -7.039 -8.197 -0.727 1.00 0.00 N ATOM 583 CA TYR A 40 -7.641 -6.911 -0.349 1.00 0.00 C ATOM 584 C TYR A 40 -6.811 -5.690 -0.777 1.00 0.00 C ATOM 585 O TYR A 40 -5.595 -5.764 -0.970 1.00 0.00 O ATOM 586 CB TYR A 40 -7.821 -6.806 1.184 1.00 0.00 C ATOM 587 CG TYR A 40 -8.801 -7.688 1.943 1.00 0.00 C ATOM 588 CD1 TYR A 40 -9.583 -8.694 1.338 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.917 -7.470 3.331 1.00 0.00 C ATOM 590 CE1 TYR A 40 -10.424 -9.510 2.121 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.776 -8.261 4.112 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.531 -9.288 3.512 1.00 0.00 C ATOM 593 OH TYR A 40 -11.378 -10.035 4.271 1.00 0.00 O ATOM 0 H TYR A 40 -6.126 -8.362 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.597 -6.896 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.839 -6.973 1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.097 -5.773 1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.537 -8.840 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.339 -6.687 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.987 -10.306 1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.858 -8.082 5.174 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.321 -9.746 5.206 1.00 0.00 H new ATOM 603 N CYS A 41 -7.492 -4.540 -0.804 1.00 0.00 N ATOM 604 CA CYS A 41 -6.939 -3.195 -0.915 1.00 0.00 C ATOM 605 C CYS A 41 -7.577 -2.285 0.138 1.00 0.00 C ATOM 606 O CYS A 41 -8.667 -2.563 0.642 1.00 0.00 O ATOM 607 CB CYS A 41 -7.153 -2.602 -2.311 1.00 0.00 C ATOM 608 SG CYS A 41 -6.479 -3.547 -3.700 1.00 0.00 S ATOM 0 H CYS A 41 -8.510 -4.528 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.864 -3.263 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.224 -2.479 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.712 -1.605 -2.330 1.00 0.00 H new ATOM 613 N TRP A 42 -6.897 -1.185 0.450 1.00 0.00 N ATOM 614 CA TRP A 42 -7.395 -0.098 1.286 1.00 0.00 C ATOM 615 C TRP A 42 -6.831 1.231 0.775 1.00 0.00 C ATOM 616 O TRP A 42 -5.812 1.261 0.077 1.00 0.00 O ATOM 617 CB TRP A 42 -7.017 -0.348 2.751 1.00 0.00 C ATOM 618 CG TRP A 42 -5.550 -0.430 3.040 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.776 0.594 3.468 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.656 -1.575 2.875 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.474 0.151 3.616 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.339 -1.165 3.236 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.812 -2.910 2.439 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.233 -2.021 3.152 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.709 -3.780 2.346 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.421 -3.338 2.701 1.00 0.00 C ATOM 0 H TRP A 42 -5.948 -1.021 0.114 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.483 -0.052 1.231 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.444 0.450 3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.484 -1.278 3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.120 1.599 3.663 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.708 0.728 3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.795 -3.269 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.249 -1.673 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.852 -4.793 2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.579 -4.010 2.627 1.00 0.00 H new ATOM 637 N CYS A 43 -7.468 2.340 1.153 1.00 0.00 N ATOM 638 CA CYS A 43 -6.886 3.657 0.916 1.00 0.00 C ATOM 639 C CYS A 43 -5.996 4.029 2.101 1.00 0.00 C ATOM 640 O CYS A 43 -6.270 3.627 3.233 1.00 0.00 O ATOM 641 CB CYS A 43 -7.961 4.732 0.741 1.00 0.00 C ATOM 642 SG CYS A 43 -9.077 4.560 -0.668 1.00 0.00 S ATOM 0 H CYS A 43 -8.375 2.352 1.619 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.306 3.608 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.564 4.758 1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.463 5.698 0.662 1.00 0.00 H new ATOM 647 N VAL A 44 -4.986 4.864 1.869 1.00 0.00 N ATOM 648 CA VAL A 44 -4.129 5.445 2.904 1.00 0.00 C ATOM 649 C VAL A 44 -4.024 6.958 2.739 1.00 0.00 C ATOM 650 O VAL A 44 -4.166 7.494 1.641 1.00 0.00 O ATOM 651 CB VAL A 44 -2.709 4.839 2.911 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.723 3.345 3.240 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.950 5.046 1.597 1.00 0.00 C ATOM 0 H VAL A 44 -4.732 5.165 0.928 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.603 5.207 3.856 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.184 5.383 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.703 2.961 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.161 3.194 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.315 2.814 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.961 4.595 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.500 4.577 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.848 6.113 1.400 1.00 0.00 H new ATOM 663 N PHE A 45 -3.744 7.647 3.843 1.00 0.00 N ATOM 664 CA PHE A 45 -3.341 9.050 3.823 1.00 0.00 C ATOM 665 C PHE A 45 -1.874 9.128 3.332 1.00 0.00 C ATOM 666 O PHE A 45 -1.178 8.108 3.356 1.00 0.00 O ATOM 667 CB PHE A 45 -3.528 9.619 5.238 1.00 0.00 C ATOM 668 CG PHE A 45 -4.976 9.621 5.702 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.887 10.553 5.167 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.426 8.682 6.651 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.231 10.547 5.582 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.768 8.674 7.065 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.672 9.609 6.533 1.00 0.00 C ATOM 0 H PHE A 45 -3.791 7.246 4.780 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.947 9.646 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.931 9.035 5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.144 10.639 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.552 11.274 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.734 7.963 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.926 11.264 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.105 7.950 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.703 9.607 6.854 1.00 0.00 H new ATOM 683 N PRO A 46 -1.345 10.303 2.928 1.00 0.00 N ATOM 684 CA PRO A 46 0.025 10.440 2.405 1.00 0.00 C ATOM 685 C PRO A 46 1.138 9.822 3.273 1.00 0.00 C ATOM 686 O PRO A 46 2.164 9.392 2.747 1.00 0.00 O ATOM 687 CB PRO A 46 0.237 11.950 2.242 1.00 0.00 C ATOM 688 CG PRO A 46 -1.167 12.463 1.940 1.00 0.00 C ATOM 689 CD PRO A 46 -2.053 11.570 2.809 1.00 0.00 C ATOM 0 HA PRO A 46 0.105 9.878 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.645 12.400 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.932 12.175 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.277 13.516 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.413 12.368 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.219 12.019 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.033 11.429 2.353 1.00 0.00 H new ATOM 697 N ASN A 47 0.917 9.761 4.593 1.00 0.00 N ATOM 698 CA ASN A 47 1.776 9.155 5.605 1.00 0.00 C ATOM 699 C ASN A 47 1.699 7.612 5.706 1.00 0.00 C ATOM 700 O ASN A 47 2.485 7.030 6.450 1.00 0.00 O ATOM 701 CB ASN A 47 1.451 9.813 6.960 1.00 0.00 C ATOM 702 CG ASN A 47 0.007 9.599 7.393 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.468 8.481 7.532 1.00 0.00 O ATOM 704 ND2 ASN A 47 -0.749 10.659 7.591 1.00 0.00 N ATOM 0 H ASN A 47 0.074 10.163 5.004 1.00 0.00 H new ATOM 0 HA ASN A 47 2.806 9.342 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.117 9.410 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.651 10.883 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.727 10.545 7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.357 11.594 7.476 1.00 0.00 H new ATOM 711 N GLY A 48 0.778 6.952 4.988 1.00 0.00 N ATOM 712 CA GLY A 48 0.627 5.493 4.954 1.00 0.00 C ATOM 713 C GLY A 48 -0.432 4.917 5.904 1.00 0.00 C ATOM 714 O GLY A 48 -0.675 3.713 5.873 1.00 0.00 O ATOM 0 H GLY A 48 0.099 7.434 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.378 5.194 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.589 5.040 5.192 1.00 0.00 H new ATOM 718 N THR A 49 -1.084 5.748 6.728 1.00 0.00 N ATOM 719 CA THR A 49 -2.158 5.322 7.642 1.00 0.00 C ATOM 720 C THR A 49 -3.421 5.032 6.839 1.00 0.00 C ATOM 721 O THR A 49 -3.813 5.860 6.019 1.00 0.00 O ATOM 722 CB THR A 49 -2.474 6.407 8.686 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.294 6.848 9.313 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.415 5.910 9.785 1.00 0.00 C ATOM 0 H THR A 49 -0.880 6.746 6.781 1.00 0.00 H new ATOM 0 HA THR A 49 -1.819 4.427 8.163 1.00 0.00 H new ATOM 0 HB THR A 49 -2.958 7.216 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.032 7.717 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.604 6.716 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.357 5.590 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.955 5.070 10.305 1.00 0.00 H new ATOM 732 N GLU A 50 -4.074 3.887 7.070 1.00 0.00 N ATOM 733 CA GLU A 50 -5.322 3.532 6.386 1.00 0.00 C ATOM 734 C GLU A 50 -6.449 4.556 6.622 1.00 0.00 C ATOM 735 O GLU A 50 -6.639 5.052 7.731 1.00 0.00 O ATOM 736 CB GLU A 50 -5.766 2.106 6.788 1.00 0.00 C ATOM 737 CG GLU A 50 -7.136 1.728 6.184 1.00 0.00 C ATOM 738 CD GLU A 50 -7.578 0.273 6.354 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.718 -0.583 6.652 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.797 0.046 6.168 1.00 0.00 O ATOM 0 H GLU A 50 -3.753 3.183 7.734 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.118 3.551 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.015 1.388 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.819 2.037 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.895 2.370 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.114 1.956 5.118 1.00 0.00 H new ATOM 747 N VAL A 51 -7.245 4.797 5.573 1.00 0.00 N ATOM 748 CA VAL A 51 -8.513 5.528 5.622 1.00 0.00 C ATOM 749 C VAL A 51 -9.565 4.494 6.068 1.00 0.00 C ATOM 750 O VAL A 51 -9.826 3.547 5.309 1.00 0.00 O ATOM 751 CB VAL A 51 -8.887 6.114 4.249 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.173 6.946 4.342 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.781 7.005 3.668 1.00 0.00 C ATOM 0 H VAL A 51 -7.013 4.476 4.633 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.449 6.375 6.305 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.032 5.260 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.417 7.350 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.991 6.314 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.026 7.766 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.097 7.392 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.590 7.837 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.869 6.420 3.545 1.00 0.00 H new ATOM 763 N PRO A 52 -10.108 4.603 7.301 1.00 0.00 N ATOM 764 CA PRO A 52 -10.935 3.569 7.926 1.00 0.00 C ATOM 765 C PRO A 52 -12.044 2.997 7.044 1.00 0.00 C ATOM 766 O PRO A 52 -12.698 3.714 6.290 1.00 0.00 O ATOM 767 CB PRO A 52 -11.516 4.210 9.190 1.00 0.00 C ATOM 768 CG PRO A 52 -10.435 5.207 9.591 1.00 0.00 C ATOM 769 CD PRO A 52 -9.918 5.703 8.242 1.00 0.00 C ATOM 0 HA PRO A 52 -10.310 2.701 8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.468 4.703 8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.696 3.472 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.838 6.021 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.647 4.735 10.178 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.463 6.590 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.866 5.982 8.307 1.00 0.00 H new ATOM 777 N ASN A 53 -12.271 1.688 7.193 1.00 0.00 N ATOM 778 CA ASN A 53 -13.300 0.898 6.513 1.00 0.00 C ATOM 779 C ASN A 53 -13.188 0.857 4.976 1.00 0.00 C ATOM 780 O ASN A 53 -14.077 0.303 4.333 1.00 0.00 O ATOM 781 CB ASN A 53 -14.694 1.341 6.999 1.00 0.00 C ATOM 782 CG ASN A 53 -14.810 1.342 8.515 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.540 0.356 9.181 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.193 2.454 9.110 1.00 0.00 N ATOM 0 H ASN A 53 -11.709 1.120 7.827 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.132 -0.141 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.906 2.341 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.449 0.676 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.264 2.490 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.419 3.278 8.554 1.00 0.00 H new ATOM 791 N THR A 54 -12.104 1.369 4.366 1.00 0.00 N ATOM 792 CA THR A 54 -11.884 1.202 2.919 1.00 0.00 C ATOM 793 C THR A 54 -11.514 -0.237 2.588 1.00 0.00 C ATOM 794 O THR A 54 -11.852 -0.692 1.499 1.00 0.00 O ATOM 795 CB THR A 54 -10.829 2.160 2.335 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.635 2.160 3.096 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.389 3.584 2.306 1.00 0.00 C ATOM 0 H THR A 54 -11.375 1.896 4.846 1.00 0.00 H new ATOM 0 HA THR A 54 -12.833 1.458 2.449 1.00 0.00 H new ATOM 0 HB THR A 54 -10.596 1.814 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.677 2.870 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.641 4.261 1.892 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.285 3.610 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.640 3.897 3.319 1.00 0.00 H new ATOM 805 N ARG A 55 -10.900 -0.964 3.535 1.00 0.00 N ATOM 806 CA ARG A 55 -10.438 -2.351 3.431 1.00 0.00 C ATOM 807 C ARG A 55 -11.413 -3.293 2.695 1.00 0.00 C ATOM 808 O ARG A 55 -12.295 -3.908 3.304 1.00 0.00 O ATOM 809 CB ARG A 55 -10.028 -2.892 4.814 1.00 0.00 C ATOM 810 CG ARG A 55 -11.122 -2.747 5.895 1.00 0.00 C ATOM 811 CD ARG A 55 -11.333 -4.032 6.708 1.00 0.00 C ATOM 812 NE ARG A 55 -11.926 -5.092 5.877 1.00 0.00 N ATOM 813 CZ ARG A 55 -12.097 -6.365 6.218 1.00 0.00 C ATOM 814 NH1 ARG A 55 -11.799 -6.785 7.424 1.00 0.00 N ATOM 815 NH2 ARG A 55 -12.554 -7.250 5.360 1.00 0.00 N ATOM 0 H ARG A 55 -10.701 -0.569 4.454 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.554 -2.331 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.765 -3.945 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.132 -2.369 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.852 -1.936 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.061 -2.466 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.379 -4.372 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.983 -3.826 7.558 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.238 -4.822 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.431 -6.132 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.936 -7.765 7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.786 -6.965 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.677 -8.221 5.646 1.00 0.00 H new ATOM 829 N SER A 56 -11.222 -3.454 1.384 1.00 0.00 N ATOM 830 CA SER A 56 -12.137 -4.130 0.449 1.00 0.00 C ATOM 831 C SER A 56 -11.426 -5.206 -0.375 1.00 0.00 C ATOM 832 O SER A 56 -10.211 -5.163 -0.527 1.00 0.00 O ATOM 833 CB SER A 56 -12.786 -3.126 -0.513 1.00 0.00 C ATOM 834 OG SER A 56 -13.472 -2.099 0.168 1.00 0.00 O ATOM 0 H SER A 56 -10.386 -3.101 0.918 1.00 0.00 H new ATOM 0 HA SER A 56 -12.903 -4.604 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.018 -2.687 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.481 -3.651 -1.169 1.00 0.00 H new ATOM 0 HG SER A 56 -12.913 -1.761 0.898 1.00 0.00 H new ATOM 840 N ARG A 57 -12.194 -6.109 -1.001 1.00 0.00 N ATOM 841 CA ARG A 57 -11.780 -7.202 -1.907 1.00 0.00 C ATOM 842 C ARG A 57 -11.241 -6.699 -3.267 1.00 0.00 C ATOM 843 O ARG A 57 -11.049 -7.473 -4.200 1.00 0.00 O ATOM 844 CB ARG A 57 -12.978 -8.161 -2.112 1.00 0.00 C ATOM 845 CG ARG A 57 -13.281 -9.159 -0.974 1.00 0.00 C ATOM 846 CD ARG A 57 -13.936 -8.580 0.288 1.00 0.00 C ATOM 847 NE ARG A 57 -12.933 -8.045 1.216 1.00 0.00 N ATOM 848 CZ ARG A 57 -13.061 -7.016 2.033 1.00 0.00 C ATOM 849 NH1 ARG A 57 -14.205 -6.414 2.245 1.00 0.00 N ATOM 850 NH2 ARG A 57 -12.002 -6.533 2.628 1.00 0.00 N ATOM 0 H ARG A 57 -13.207 -6.097 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.948 -7.727 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.870 -7.557 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.803 -8.731 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.932 -9.939 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.347 -9.640 -0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.633 -7.790 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.517 -9.356 0.786 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.032 -8.524 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.047 -6.737 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.254 -5.622 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.087 -6.951 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.091 -5.738 3.261 1.00 0.00 H new ATOM 864 N GLY A 58 -11.038 -5.388 -3.393 1.00 0.00 N ATOM 865 CA GLY A 58 -10.607 -4.699 -4.607 1.00 0.00 C ATOM 866 C GLY A 58 -10.384 -3.200 -4.387 1.00 0.00 C ATOM 867 O GLY A 58 -10.535 -2.699 -3.273 1.00 0.00 O ATOM 0 H GLY A 58 -11.177 -4.747 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.683 -5.151 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.356 -4.840 -5.386 1.00 0.00 H new ATOM 871 N HIS A 59 -9.991 -2.507 -5.461 1.00 0.00 N ATOM 872 CA HIS A 59 -9.598 -1.093 -5.483 1.00 0.00 C ATOM 873 C HIS A 59 -10.744 -0.117 -5.139 1.00 0.00 C ATOM 874 O HIS A 59 -11.920 -0.479 -5.160 1.00 0.00 O ATOM 875 CB HIS A 59 -9.042 -0.755 -6.881 1.00 0.00 C ATOM 876 CG HIS A 59 -8.170 -1.822 -7.503 1.00 0.00 C ATOM 877 ND1 HIS A 59 -8.452 -2.514 -8.661 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.987 -2.304 -7.013 1.00 0.00 C ATOM 879 CE1 HIS A 59 -7.454 -3.393 -8.861 1.00 0.00 C ATOM 880 NE2 HIS A 59 -6.544 -3.302 -7.882 1.00 0.00 N ATOM 0 H HIS A 59 -9.935 -2.938 -6.384 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.844 -0.963 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.880 -0.558 -7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.466 0.168 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.486 -1.972 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.394 -4.077 -9.695 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.692 -3.855 -7.790 1.00 0.00 H new ATOM 888 N HIS A 60 -10.394 1.151 -4.886 1.00 0.00 N ATOM 889 CA HIS A 60 -11.333 2.248 -4.615 1.00 0.00 C ATOM 890 C HIS A 60 -10.716 3.618 -4.973 1.00 0.00 C ATOM 891 O HIS A 60 -9.512 3.739 -5.204 1.00 0.00 O ATOM 892 CB HIS A 60 -11.864 2.190 -3.160 1.00 0.00 C ATOM 893 CG HIS A 60 -11.102 1.284 -2.222 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.528 0.079 -1.715 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.810 1.455 -1.818 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.501 -0.443 -1.024 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.434 0.357 -1.061 1.00 0.00 N ATOM 0 H HIS A 60 -9.419 1.451 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.199 2.120 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.855 3.199 -2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.904 1.865 -3.185 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.450 -0.340 -1.840 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.185 2.305 -2.050 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.535 -1.389 -0.505 1.00 0.00 H new ATOM 905 N ASN A 61 -11.558 4.657 -5.023 1.00 0.00 N ATOM 906 CA ASN A 61 -11.305 6.003 -5.547 1.00 0.00 C ATOM 907 C ASN A 61 -10.510 6.894 -4.573 1.00 0.00 C ATOM 908 O ASN A 61 -10.942 7.998 -4.220 1.00 0.00 O ATOM 909 CB ASN A 61 -12.663 6.631 -5.927 1.00 0.00 C ATOM 910 CG ASN A 61 -13.477 5.761 -6.875 1.00 0.00 C ATOM 911 OD1 ASN A 61 -14.078 4.778 -6.472 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.518 6.086 -8.151 1.00 0.00 N ATOM 0 H ASN A 61 -12.511 4.570 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.669 5.923 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.241 6.809 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.491 7.602 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.053 5.516 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.015 6.908 -8.484 1.00 0.00 H new ATOM 919 N CYS A 62 -9.353 6.401 -4.118 1.00 0.00 N ATOM 920 CA CYS A 62 -8.589 6.999 -3.030 1.00 0.00 C ATOM 921 C CYS A 62 -8.120 8.433 -3.294 1.00 0.00 C ATOM 922 O CYS A 62 -7.065 8.696 -3.869 1.00 0.00 O ATOM 923 CB CYS A 62 -7.402 6.137 -2.648 1.00 0.00 C ATOM 924 SG CYS A 62 -7.809 4.434 -2.252 1.00 0.00 S ATOM 0 H CYS A 62 -8.919 5.563 -4.504 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.293 7.052 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.686 6.144 -3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.905 6.587 -1.789 1.00 0.00 H new