USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot 107:sc= 0.183 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.178 K(o=0.36,f=-1.4!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 180:sc= -0.0369 (180deg=0) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -138:sc= -1.73 (180deg=-2.21) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0241) USER MOD Single : A 1 MET N :NH3+ -173:sc= -1.26 (180deg=-1.34) USER MOD Single : A 2 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -97:sc= 0.651! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00621 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 60:sc= 0.308 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0011 (180deg=-0.201) USER MOD Single : A 31 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 121:sc= 0.132 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.231 (180deg=-0.446) USER MOD Single : A 65 SER OG : rot 83:sc= 0.95 USER MOD Single : A 66 THR OG1 : rot 128:sc= 0.399 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.139 3.663 -1.908 1.00 0.00 N ATOM 2 CA MET A 1 -14.992 2.943 -0.927 1.00 0.00 C ATOM 3 C MET A 1 -14.716 3.421 0.499 1.00 0.00 C ATOM 4 O MET A 1 -13.960 4.369 0.706 1.00 0.00 O ATOM 5 CB MET A 1 -14.716 1.441 -1.053 1.00 0.00 C ATOM 6 CG MET A 1 -13.350 1.022 -0.528 1.00 0.00 C ATOM 7 SD MET A 1 -13.454 -0.174 0.818 1.00 0.00 S ATOM 8 CE MET A 1 -12.338 -1.445 0.230 1.00 0.00 C ATOM 0 H1 MET A 1 -14.428 3.407 -2.874 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.247 4.689 -1.775 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.144 3.398 -1.763 1.00 0.00 H new ATOM 0 HA MET A 1 -16.041 3.148 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.487 0.893 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.796 1.153 -2.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.768 0.594 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.812 1.905 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.226 -2.214 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.742 -1.893 -0.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.365 -1.004 0.015 1.00 0.00 H new ATOM 20 N GLN A 2 -15.331 2.760 1.479 1.00 0.00 N ATOM 21 CA GLN A 2 -15.142 3.128 2.879 1.00 0.00 C ATOM 22 C GLN A 2 -14.015 2.312 3.509 1.00 0.00 C ATOM 23 O GLN A 2 -14.245 1.225 4.037 1.00 0.00 O ATOM 24 CB GLN A 2 -16.439 2.919 3.666 1.00 0.00 C ATOM 25 CG GLN A 2 -17.655 3.562 3.016 1.00 0.00 C ATOM 26 CD GLN A 2 -18.840 2.617 2.928 1.00 0.00 C ATOM 27 OE1 GLN A 2 -18.874 1.587 3.601 1.00 0.00 O ATOM 28 NE2 GLN A 2 -19.822 2.961 2.096 1.00 0.00 N ATOM 0 H GLN A 2 -15.961 1.972 1.329 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.869 4.183 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.619 1.850 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.315 3.327 4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.942 4.446 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.390 3.901 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -19.754 3.824 1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -20.642 2.362 1.999 1.00 0.00 H new ATOM 37 N ILE A 3 -12.794 2.843 3.451 1.00 0.00 N ATOM 38 CA ILE A 3 -11.638 2.159 4.017 1.00 0.00 C ATOM 39 C ILE A 3 -10.718 3.145 4.739 1.00 0.00 C ATOM 40 O ILE A 3 -10.701 4.334 4.419 1.00 0.00 O ATOM 41 CB ILE A 3 -10.838 1.418 2.925 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.681 0.631 3.544 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.320 2.399 1.882 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.089 -0.406 2.614 1.00 0.00 C ATOM 0 H ILE A 3 -12.583 3.742 3.018 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.014 1.430 4.735 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.506 0.713 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.898 1.327 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.032 0.137 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.759 1.858 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.161 2.913 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.669 3.130 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.274 -0.925 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.859 -1.125 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.707 0.084 1.718 1.00 0.00 H new ATOM 56 N PHE A 4 -9.957 2.649 5.715 1.00 0.00 N ATOM 57 CA PHE A 4 -9.045 3.497 6.472 1.00 0.00 C ATOM 58 C PHE A 4 -7.600 3.036 6.296 1.00 0.00 C ATOM 59 O PHE A 4 -7.184 2.032 6.876 1.00 0.00 O ATOM 60 CB PHE A 4 -9.419 3.486 7.956 1.00 0.00 C ATOM 61 CG PHE A 4 -10.561 4.402 8.294 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.462 5.765 8.069 1.00 0.00 C ATOM 63 CD2 PHE A 4 -11.732 3.898 8.836 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.511 6.610 8.378 1.00 0.00 C ATOM 65 CE2 PHE A 4 -12.784 4.738 9.148 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.674 6.096 8.918 1.00 0.00 C ATOM 0 H PHE A 4 -9.956 1.669 5.997 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.132 4.514 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.681 2.469 8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.547 3.773 8.544 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.555 6.172 7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.824 2.837 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.422 7.671 8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.691 4.333 9.571 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.495 6.754 9.160 1.00 0.00 H new ATOM 76 N VAL A 5 -6.838 3.774 5.490 1.00 0.00 N ATOM 77 CA VAL A 5 -5.441 3.438 5.238 1.00 0.00 C ATOM 78 C VAL A 5 -4.509 4.356 6.027 1.00 0.00 C ATOM 79 O VAL A 5 -4.926 5.411 6.503 1.00 0.00 O ATOM 80 CB VAL A 5 -5.095 3.541 3.735 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.936 2.620 3.388 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.310 3.222 2.874 1.00 0.00 C ATOM 0 H VAL A 5 -7.166 4.607 5.002 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.299 2.407 5.563 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.793 4.567 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.708 2.707 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.060 2.902 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.209 1.590 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.041 3.301 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.650 2.208 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.110 3.928 3.098 1.00 0.00 H new ATOM 92 N LYS A 6 -3.245 3.954 6.161 1.00 0.00 N ATOM 93 CA LYS A 6 -2.268 4.751 6.892 1.00 0.00 C ATOM 94 C LYS A 6 -1.290 5.419 5.930 1.00 0.00 C ATOM 95 O LYS A 6 -0.607 4.746 5.159 1.00 0.00 O ATOM 96 CB LYS A 6 -1.504 3.876 7.887 1.00 0.00 C ATOM 97 CG LYS A 6 -1.029 4.629 9.119 1.00 0.00 C ATOM 98 CD LYS A 6 -2.192 5.017 10.016 1.00 0.00 C ATOM 99 CE LYS A 6 -2.363 4.035 11.165 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.601 4.304 11.947 1.00 0.00 N ATOM 0 H LYS A 6 -2.878 3.085 5.774 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.803 5.526 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.145 3.052 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.642 3.437 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.328 4.009 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.489 5.525 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.028 6.018 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.109 5.054 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.396 3.019 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.497 4.094 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.680 3.613 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.559 5.264 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.430 4.223 11.324 1.00 0.00 H new ATOM 114 N THR A 7 -1.231 6.750 5.972 1.00 0.00 N ATOM 115 CA THR A 7 -0.340 7.502 5.094 1.00 0.00 C ATOM 116 C THR A 7 0.941 7.921 5.830 1.00 0.00 C ATOM 117 O THR A 7 1.152 7.542 6.982 1.00 0.00 O ATOM 118 CB THR A 7 -1.071 8.708 4.497 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.922 9.320 5.459 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.909 8.336 3.284 1.00 0.00 C ATOM 0 H THR A 7 -1.788 7.326 6.603 1.00 0.00 H new ATOM 0 HA THR A 7 -0.038 6.853 4.272 1.00 0.00 H new ATOM 0 HB THR A 7 -0.293 9.405 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.838 8.993 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.406 9.226 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.265 7.917 2.511 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.658 7.598 3.571 1.00 0.00 H new ATOM 128 N LEU A 8 1.807 8.681 5.151 1.00 0.00 N ATOM 129 CA LEU A 8 3.071 9.120 5.735 1.00 0.00 C ATOM 130 C LEU A 8 2.848 10.091 6.893 1.00 0.00 C ATOM 131 O LEU A 8 3.541 10.028 7.908 1.00 0.00 O ATOM 132 CB LEU A 8 3.982 9.722 4.647 1.00 0.00 C ATOM 133 CG LEU A 8 3.855 11.233 4.418 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.168 11.806 3.908 1.00 0.00 C ATOM 135 CD2 LEU A 8 2.728 11.529 3.439 1.00 0.00 C ATOM 0 H LEU A 8 1.652 9.003 4.196 1.00 0.00 H new ATOM 0 HA LEU A 8 3.576 8.249 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.017 9.500 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.773 9.214 3.706 1.00 0.00 H new ATOM 0 HG LEU A 8 3.619 11.708 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.060 12.879 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.954 11.624 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.433 11.326 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.651 12.606 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.937 11.042 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.788 11.151 3.841 1.00 0.00 H new ATOM 147 N THR A 9 1.881 10.994 6.734 1.00 0.00 N ATOM 148 CA THR A 9 1.581 11.976 7.769 1.00 0.00 C ATOM 149 C THR A 9 0.221 11.703 8.413 1.00 0.00 C ATOM 150 O THR A 9 -0.558 12.626 8.652 1.00 0.00 O ATOM 151 CB THR A 9 1.614 13.388 7.183 1.00 0.00 C ATOM 152 OG1 THR A 9 1.281 13.368 5.804 1.00 0.00 O ATOM 153 CG2 THR A 9 2.963 14.058 7.318 1.00 0.00 C ATOM 0 H THR A 9 1.296 11.064 5.902 1.00 0.00 H new ATOM 0 HA THR A 9 2.344 11.894 8.543 1.00 0.00 H new ATOM 0 HB THR A 9 0.883 13.957 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.306 14.281 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.919 15.056 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.228 14.133 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.716 13.468 6.796 1.00 0.00 H new ATOM 161 N GLY A 10 -0.056 10.429 8.701 1.00 0.00 N ATOM 162 CA GLY A 10 -1.318 10.060 9.324 1.00 0.00 C ATOM 163 C GLY A 10 -2.522 10.743 8.694 1.00 0.00 C ATOM 164 O GLY A 10 -3.457 11.127 9.395 1.00 0.00 O ATOM 0 H GLY A 10 0.572 9.647 8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.446 8.980 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.279 10.312 10.384 1.00 0.00 H new ATOM 168 N LYS A 11 -2.503 10.896 7.371 1.00 0.00 N ATOM 169 CA LYS A 11 -3.610 11.536 6.665 1.00 0.00 C ATOM 170 C LYS A 11 -4.722 10.530 6.375 1.00 0.00 C ATOM 171 O LYS A 11 -4.454 9.360 6.100 1.00 0.00 O ATOM 172 CB LYS A 11 -3.121 12.165 5.356 1.00 0.00 C ATOM 173 CG LYS A 11 -3.843 13.454 4.996 1.00 0.00 C ATOM 174 CD LYS A 11 -3.255 14.093 3.749 1.00 0.00 C ATOM 175 CE LYS A 11 -4.336 14.701 2.871 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.910 14.794 1.447 1.00 0.00 N ATOM 0 H LYS A 11 -1.738 10.588 6.770 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.009 12.321 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.053 12.366 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.251 11.447 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.901 13.247 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.778 14.153 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.542 14.865 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.702 13.344 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.241 14.098 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.587 15.695 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.676 15.214 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.061 15.390 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.695 13.843 1.086 1.00 0.00 H new ATOM 190 N THR A 12 -5.971 10.990 6.437 1.00 0.00 N ATOM 191 CA THR A 12 -7.115 10.121 6.181 1.00 0.00 C ATOM 192 C THR A 12 -7.568 10.237 4.724 1.00 0.00 C ATOM 193 O THR A 12 -8.096 11.269 4.312 1.00 0.00 O ATOM 194 CB THR A 12 -8.271 10.468 7.125 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.310 9.503 7.034 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.878 11.831 6.863 1.00 0.00 C ATOM 0 H THR A 12 -6.214 11.955 6.661 1.00 0.00 H new ATOM 0 HA THR A 12 -6.809 9.091 6.365 1.00 0.00 H new ATOM 0 HB THR A 12 -7.830 10.475 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.036 9.745 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.690 12.009 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.115 12.599 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.267 11.867 5.845 1.00 0.00 H new ATOM 204 N ILE A 13 -7.357 9.174 3.950 1.00 0.00 N ATOM 205 CA ILE A 13 -7.745 9.167 2.544 1.00 0.00 C ATOM 206 C ILE A 13 -8.653 7.982 2.228 1.00 0.00 C ATOM 207 O ILE A 13 -8.738 7.031 3.006 1.00 0.00 O ATOM 208 CB ILE A 13 -6.511 9.113 1.623 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.657 7.886 1.948 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.691 10.386 1.760 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.065 7.221 0.725 1.00 0.00 C ATOM 0 H ILE A 13 -6.921 8.310 4.273 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.287 10.095 2.361 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.851 9.032 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.849 8.182 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.267 7.161 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.823 10.332 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.303 11.245 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.359 10.495 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.472 6.359 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.868 6.893 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.428 7.931 0.197 1.00 0.00 H new ATOM 223 N THR A 14 -9.329 8.042 1.082 1.00 0.00 N ATOM 224 CA THR A 14 -10.226 6.968 0.670 1.00 0.00 C ATOM 225 C THR A 14 -9.553 6.066 -0.362 1.00 0.00 C ATOM 226 O THR A 14 -8.698 6.515 -1.125 1.00 0.00 O ATOM 227 CB THR A 14 -11.519 7.546 0.092 1.00 0.00 C ATOM 228 OG1 THR A 14 -12.432 6.511 -0.229 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.301 8.369 -1.159 1.00 0.00 C ATOM 0 H THR A 14 -9.272 8.821 0.426 1.00 0.00 H new ATOM 0 HA THR A 14 -10.466 6.371 1.550 1.00 0.00 H new ATOM 0 HB THR A 14 -11.917 8.197 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.642 5.998 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.258 8.749 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.640 9.206 -0.933 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.847 7.746 -1.930 1.00 0.00 H new ATOM 237 N LEU A 15 -9.940 4.791 -0.383 1.00 0.00 N ATOM 238 CA LEU A 15 -9.364 3.838 -1.324 1.00 0.00 C ATOM 239 C LEU A 15 -10.453 2.983 -1.972 1.00 0.00 C ATOM 240 O LEU A 15 -10.943 2.029 -1.370 1.00 0.00 O ATOM 241 CB LEU A 15 -8.347 2.940 -0.615 1.00 0.00 C ATOM 242 CG LEU A 15 -7.031 2.736 -1.367 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.111 3.930 -1.167 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.351 1.454 -0.909 1.00 0.00 C ATOM 0 H LEU A 15 -10.647 4.398 0.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.857 4.401 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.127 3.368 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.804 1.966 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.251 2.648 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.180 3.767 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.597 4.831 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.896 4.050 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.416 1.323 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.143 1.514 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.006 0.605 -1.104 1.00 0.00 H new ATOM 256 N GLU A 16 -10.826 3.331 -3.203 1.00 0.00 N ATOM 257 CA GLU A 16 -11.855 2.588 -3.925 1.00 0.00 C ATOM 258 C GLU A 16 -11.226 1.558 -4.860 1.00 0.00 C ATOM 259 O GLU A 16 -10.373 1.896 -5.682 1.00 0.00 O ATOM 260 CB GLU A 16 -12.745 3.546 -4.723 1.00 0.00 C ATOM 261 CG GLU A 16 -12.018 4.254 -5.855 1.00 0.00 C ATOM 262 CD GLU A 16 -12.414 3.728 -7.221 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.598 3.373 -7.401 1.00 0.00 O ATOM 264 OE2 GLU A 16 -11.540 3.670 -8.111 1.00 0.00 O ATOM 0 H GLU A 16 -10.433 4.119 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.468 2.062 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.586 2.988 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.159 4.293 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.229 5.322 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.943 4.135 -5.722 1.00 0.00 H new ATOM 271 N VAL A 17 -11.647 0.301 -4.733 1.00 0.00 N ATOM 272 CA VAL A 17 -11.116 -0.768 -5.570 1.00 0.00 C ATOM 273 C VAL A 17 -12.220 -1.723 -6.015 1.00 0.00 C ATOM 274 O VAL A 17 -13.363 -1.614 -5.571 1.00 0.00 O ATOM 275 CB VAL A 17 -10.027 -1.569 -4.833 1.00 0.00 C ATOM 276 CG1 VAL A 17 -8.807 -0.699 -4.571 1.00 0.00 C ATOM 277 CG2 VAL A 17 -10.573 -2.139 -3.532 1.00 0.00 C ATOM 0 H VAL A 17 -12.352 0.000 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.678 -0.292 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.721 -2.400 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.049 -1.283 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.403 -0.344 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.094 0.154 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.790 -2.702 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.908 -1.324 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.413 -2.800 -3.748 1.00 0.00 H new ATOM 287 N GLU A 18 -11.872 -2.663 -6.894 1.00 0.00 N ATOM 288 CA GLU A 18 -12.836 -3.636 -7.392 1.00 0.00 C ATOM 289 C GLU A 18 -12.598 -5.000 -6.753 1.00 0.00 C ATOM 290 O GLU A 18 -11.500 -5.283 -6.271 1.00 0.00 O ATOM 291 CB GLU A 18 -12.737 -3.748 -8.916 1.00 0.00 C ATOM 292 CG GLU A 18 -11.352 -4.135 -9.409 1.00 0.00 C ATOM 293 CD GLU A 18 -10.553 -2.943 -9.899 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.157 -2.027 -10.496 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.322 -2.924 -9.685 1.00 0.00 O ATOM 0 H GLU A 18 -10.931 -2.769 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.837 -3.296 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.458 -4.488 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.018 -2.794 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.807 -4.626 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.448 -4.860 -10.217 1.00 0.00 H new ATOM 302 N PRO A 19 -13.621 -5.874 -6.742 1.00 0.00 N ATOM 303 CA PRO A 19 -13.514 -7.213 -6.162 1.00 0.00 C ATOM 304 C PRO A 19 -12.217 -7.912 -6.562 1.00 0.00 C ATOM 305 O PRO A 19 -11.513 -8.461 -5.714 1.00 0.00 O ATOM 306 CB PRO A 19 -14.732 -7.962 -6.733 1.00 0.00 C ATOM 307 CG PRO A 19 -15.385 -7.019 -7.697 1.00 0.00 C ATOM 308 CD PRO A 19 -14.958 -5.638 -7.292 1.00 0.00 C ATOM 0 HA PRO A 19 -13.498 -7.182 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.425 -8.880 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.422 -8.247 -5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.079 -7.236 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.470 -7.116 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.934 -4.954 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.631 -5.204 -6.553 1.00 0.00 H new ATOM 316 N SER A 20 -11.901 -7.886 -7.857 1.00 0.00 N ATOM 317 CA SER A 20 -10.680 -8.514 -8.361 1.00 0.00 C ATOM 318 C SER A 20 -9.497 -7.538 -8.368 1.00 0.00 C ATOM 319 O SER A 20 -8.690 -7.548 -9.297 1.00 0.00 O ATOM 320 CB SER A 20 -10.909 -9.060 -9.773 1.00 0.00 C ATOM 321 OG SER A 20 -11.152 -8.012 -10.693 1.00 0.00 O ATOM 0 H SER A 20 -12.472 -7.438 -8.574 1.00 0.00 H new ATOM 0 HA SER A 20 -10.433 -9.335 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.037 -9.632 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.756 -9.747 -9.768 1.00 0.00 H new ATOM 0 HG SER A 20 -11.293 -8.388 -11.587 1.00 0.00 H new ATOM 327 N ASP A 21 -9.390 -6.695 -7.339 1.00 0.00 N ATOM 328 CA ASP A 21 -8.294 -5.730 -7.261 1.00 0.00 C ATOM 329 C ASP A 21 -6.986 -6.420 -6.874 1.00 0.00 C ATOM 330 O ASP A 21 -6.868 -6.973 -5.782 1.00 0.00 O ATOM 331 CB ASP A 21 -8.619 -4.625 -6.249 1.00 0.00 C ATOM 332 CG ASP A 21 -8.743 -5.153 -4.833 1.00 0.00 C ATOM 333 OD1 ASP A 21 -9.400 -6.198 -4.645 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.184 -4.520 -3.913 1.00 0.00 O ATOM 0 H ASP A 21 -10.042 -6.661 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.173 -5.282 -8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.839 -3.865 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.551 -4.138 -6.535 1.00 0.00 H new ATOM 339 N THR A 22 -6.005 -6.381 -7.775 1.00 0.00 N ATOM 340 CA THR A 22 -4.709 -7.002 -7.517 1.00 0.00 C ATOM 341 C THR A 22 -3.795 -6.050 -6.746 1.00 0.00 C ATOM 342 O THR A 22 -4.099 -4.867 -6.604 1.00 0.00 O ATOM 343 CB THR A 22 -4.041 -7.416 -8.830 1.00 0.00 C ATOM 344 OG1 THR A 22 -5.012 -7.659 -9.832 1.00 0.00 O ATOM 345 CG2 THR A 22 -3.192 -8.663 -8.702 1.00 0.00 C ATOM 0 H THR A 22 -6.083 -5.928 -8.685 1.00 0.00 H new ATOM 0 HA THR A 22 -4.877 -7.892 -6.910 1.00 0.00 H new ATOM 0 HB THR A 22 -3.394 -6.581 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.000 -6.927 -10.484 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.748 -8.901 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.402 -8.492 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.815 -9.495 -8.374 1.00 0.00 H new ATOM 353 N ILE A 23 -2.673 -6.572 -6.253 1.00 0.00 N ATOM 354 CA ILE A 23 -1.722 -5.755 -5.504 1.00 0.00 C ATOM 355 C ILE A 23 -1.062 -4.718 -6.412 1.00 0.00 C ATOM 356 O ILE A 23 -0.890 -3.562 -6.024 1.00 0.00 O ATOM 357 CB ILE A 23 -0.624 -6.614 -4.838 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.253 -7.696 -3.957 1.00 0.00 C ATOM 359 CG2 ILE A 23 0.314 -5.740 -4.019 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.194 -7.150 -2.905 1.00 0.00 C ATOM 0 H ILE A 23 -2.402 -7.550 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.290 -5.250 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.044 -7.100 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.797 -8.397 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.460 -8.259 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.081 -6.362 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.787 -5.004 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.253 -5.226 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.602 -7.974 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.651 -6.471 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.008 -6.611 -3.390 1.00 0.00 H new ATOM 372 N GLU A 24 -0.695 -5.135 -7.623 1.00 0.00 N ATOM 373 CA GLU A 24 -0.057 -4.234 -8.580 1.00 0.00 C ATOM 374 C GLU A 24 -1.009 -3.112 -8.995 1.00 0.00 C ATOM 375 O GLU A 24 -0.596 -1.961 -9.137 1.00 0.00 O ATOM 376 CB GLU A 24 0.410 -5.003 -9.819 1.00 0.00 C ATOM 377 CG GLU A 24 1.267 -6.216 -9.495 1.00 0.00 C ATOM 378 CD GLU A 24 2.315 -6.490 -10.556 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.674 -5.547 -11.294 1.00 0.00 O ATOM 380 OE2 GLU A 24 2.778 -7.645 -10.650 1.00 0.00 O ATOM 0 H GLU A 24 -0.828 -6.087 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 24 0.810 -3.791 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.463 -5.326 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.977 -4.330 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.759 -6.062 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.626 -7.091 -9.388 1.00 0.00 H new ATOM 387 N ASN A 25 -2.284 -3.451 -9.193 1.00 0.00 N ATOM 388 CA ASN A 25 -3.279 -2.458 -9.593 1.00 0.00 C ATOM 389 C ASN A 25 -3.440 -1.388 -8.516 1.00 0.00 C ATOM 390 O ASN A 25 -3.485 -0.195 -8.818 1.00 0.00 O ATOM 391 CB ASN A 25 -4.629 -3.128 -9.868 1.00 0.00 C ATOM 392 CG ASN A 25 -4.642 -3.887 -11.184 1.00 0.00 C ATOM 393 OD1 ASN A 25 -4.236 -5.047 -11.244 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.108 -3.237 -12.248 1.00 0.00 N ATOM 0 H ASN A 25 -2.649 -4.397 -9.084 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.929 -1.982 -10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.864 -3.814 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.412 -2.370 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.138 -3.701 -13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.435 -2.275 -12.155 1.00 0.00 H new ATOM 401 N VAL A 26 -3.523 -1.818 -7.259 1.00 0.00 N ATOM 402 CA VAL A 26 -3.675 -0.885 -6.144 1.00 0.00 C ATOM 403 C VAL A 26 -2.395 -0.078 -5.909 1.00 0.00 C ATOM 404 O VAL A 26 -2.430 0.970 -5.264 1.00 0.00 O ATOM 405 CB VAL A 26 -4.053 -1.614 -4.839 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.409 -2.289 -4.977 1.00 0.00 C ATOM 407 CG2 VAL A 26 -2.982 -2.627 -4.462 1.00 0.00 C ATOM 0 H VAL A 26 -3.488 -2.801 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.482 -0.206 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.120 -0.876 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.658 -2.798 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.169 -1.538 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.373 -3.015 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.267 -3.131 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.880 -3.362 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.031 -2.114 -4.317 1.00 0.00 H new ATOM 417 N LYS A 27 -1.264 -0.562 -6.430 1.00 0.00 N ATOM 418 CA LYS A 27 0.010 0.134 -6.262 1.00 0.00 C ATOM 419 C LYS A 27 -0.079 1.576 -6.766 1.00 0.00 C ATOM 420 O LYS A 27 0.535 2.477 -6.194 1.00 0.00 O ATOM 421 CB LYS A 27 1.132 -0.604 -7.000 1.00 0.00 C ATOM 422 CG LYS A 27 2.480 -0.512 -6.305 1.00 0.00 C ATOM 423 CD LYS A 27 2.543 -1.423 -5.089 1.00 0.00 C ATOM 424 CE LYS A 27 3.974 -1.629 -4.622 1.00 0.00 C ATOM 425 NZ LYS A 27 4.585 -2.848 -5.224 1.00 0.00 N ATOM 0 H LYS A 27 -1.207 -1.427 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 27 0.238 0.152 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.858 -1.654 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.223 -0.196 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.271 -0.782 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.663 0.518 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.953 -0.993 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.096 -2.387 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.571 -0.756 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.993 -1.712 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.561 -2.953 -4.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.030 -3.685 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.591 -2.758 -6.260 1.00 0.00 H new ATOM 439 N ALA A 28 -0.845 1.791 -7.836 1.00 0.00 N ATOM 440 CA ALA A 28 -1.003 3.132 -8.397 1.00 0.00 C ATOM 441 C ALA A 28 -1.550 4.104 -7.351 1.00 0.00 C ATOM 442 O ALA A 28 -1.131 5.260 -7.290 1.00 0.00 O ATOM 443 CB ALA A 28 -1.916 3.101 -9.616 1.00 0.00 C ATOM 0 H ALA A 28 -1.361 1.061 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.018 3.482 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.020 4.109 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.486 2.450 -10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.896 2.723 -9.327 1.00 0.00 H new ATOM 449 N LYS A 29 -2.482 3.628 -6.526 1.00 0.00 N ATOM 450 CA LYS A 29 -3.071 4.465 -5.483 1.00 0.00 C ATOM 451 C LYS A 29 -2.017 4.883 -4.459 1.00 0.00 C ATOM 452 O LYS A 29 -2.046 6.005 -3.952 1.00 0.00 O ATOM 453 CB LYS A 29 -4.216 3.727 -4.779 1.00 0.00 C ATOM 454 CG LYS A 29 -5.521 3.749 -5.558 1.00 0.00 C ATOM 455 CD LYS A 29 -6.724 3.765 -4.628 1.00 0.00 C ATOM 456 CE LYS A 29 -7.829 4.663 -5.161 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.916 5.943 -4.405 1.00 0.00 N ATOM 0 H LYS A 29 -2.843 2.675 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.468 5.361 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.921 2.692 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.379 4.176 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.546 4.627 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.573 2.875 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.105 2.751 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.417 4.111 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.648 4.875 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.783 4.140 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.853 6.369 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.774 5.758 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.182 6.597 -4.744 1.00 0.00 H new ATOM 471 N ILE A 30 -1.080 3.981 -4.159 1.00 0.00 N ATOM 472 CA ILE A 30 -0.021 4.278 -3.198 1.00 0.00 C ATOM 473 C ILE A 30 0.881 5.394 -3.720 1.00 0.00 C ATOM 474 O ILE A 30 1.227 6.318 -2.986 1.00 0.00 O ATOM 475 CB ILE A 30 0.840 3.034 -2.886 1.00 0.00 C ATOM 476 CG1 ILE A 30 -0.044 1.864 -2.441 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.876 3.355 -1.816 1.00 0.00 C ATOM 478 CD1 ILE A 30 -0.974 2.206 -1.297 1.00 0.00 C ATOM 0 H ILE A 30 -1.034 3.046 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.509 4.598 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 30 1.363 2.743 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.637 1.524 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.593 1.031 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.473 2.467 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.527 4.156 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.371 3.673 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.568 1.330 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.388 2.517 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.637 3.018 -1.597 1.00 0.00 H new ATOM 490 N GLN A 31 1.253 5.308 -4.998 1.00 0.00 N ATOM 491 CA GLN A 31 2.108 6.322 -5.613 1.00 0.00 C ATOM 492 C GLN A 31 1.468 7.709 -5.512 1.00 0.00 C ATOM 493 O GLN A 31 2.170 8.720 -5.475 1.00 0.00 O ATOM 494 CB GLN A 31 2.381 5.981 -7.081 1.00 0.00 C ATOM 495 CG GLN A 31 3.286 6.984 -7.780 1.00 0.00 C ATOM 496 CD GLN A 31 4.542 6.344 -8.345 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.927 5.248 -7.938 1.00 0.00 O ATOM 498 NE2 GLN A 31 5.190 7.024 -9.288 1.00 0.00 N ATOM 0 H GLN A 31 0.977 4.551 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 31 3.054 6.334 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.836 4.992 -7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.432 5.926 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.734 7.465 -8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.567 7.767 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.837 7.930 -9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.039 6.639 -9.701 1.00 0.00 H new ATOM 507 N ASP A 32 0.134 7.754 -5.468 1.00 0.00 N ATOM 508 CA ASP A 32 -0.591 9.021 -5.370 1.00 0.00 C ATOM 509 C ASP A 32 -0.075 9.884 -4.215 1.00 0.00 C ATOM 510 O ASP A 32 -0.165 11.111 -4.267 1.00 0.00 O ATOM 511 CB ASP A 32 -2.092 8.769 -5.193 1.00 0.00 C ATOM 512 CG ASP A 32 -2.939 9.878 -5.785 1.00 0.00 C ATOM 513 OD1 ASP A 32 -3.113 10.915 -5.112 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.429 9.708 -6.922 1.00 0.00 O ATOM 0 H ASP A 32 -0.464 6.928 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.420 9.562 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.357 7.823 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.318 8.670 -4.131 1.00 0.00 H new ATOM 519 N LYS A 33 0.467 9.250 -3.172 1.00 0.00 N ATOM 520 CA LYS A 33 0.984 9.990 -2.025 1.00 0.00 C ATOM 521 C LYS A 33 2.315 10.652 -2.369 1.00 0.00 C ATOM 522 O LYS A 33 2.565 11.795 -1.988 1.00 0.00 O ATOM 523 CB LYS A 33 1.160 9.064 -0.817 1.00 0.00 C ATOM 524 CG LYS A 33 -0.081 8.959 0.054 1.00 0.00 C ATOM 525 CD LYS A 33 -0.406 10.284 0.724 1.00 0.00 C ATOM 526 CE LYS A 33 -1.903 10.550 0.735 1.00 0.00 C ATOM 527 NZ LYS A 33 -2.295 11.467 1.842 1.00 0.00 N ATOM 0 H LYS A 33 0.557 8.237 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 33 0.260 10.764 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.432 8.069 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.990 9.426 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.928 8.641 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.071 8.193 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.029 10.278 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.105 11.092 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.202 10.984 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.439 9.606 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.171 11.123 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.537 11.497 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.451 12.422 1.462 1.00 0.00 H new ATOM 541 N GLU A 34 3.168 9.930 -3.095 1.00 0.00 N ATOM 542 CA GLU A 34 4.470 10.464 -3.486 1.00 0.00 C ATOM 543 C GLU A 34 5.221 9.498 -4.404 1.00 0.00 C ATOM 544 O GLU A 34 5.858 9.920 -5.369 1.00 0.00 O ATOM 545 CB GLU A 34 5.314 10.762 -2.246 1.00 0.00 C ATOM 546 CG GLU A 34 5.674 9.524 -1.441 1.00 0.00 C ATOM 547 CD GLU A 34 6.566 9.838 -0.255 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.777 10.057 -0.465 1.00 0.00 O ATOM 549 OE2 GLU A 34 6.052 9.865 0.883 1.00 0.00 O ATOM 0 H GLU A 34 2.982 8.982 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 34 4.296 11.388 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.231 11.264 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.770 11.456 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.760 9.047 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.177 8.807 -2.090 1.00 0.00 H new ATOM 556 N GLY A 35 5.152 8.204 -4.095 1.00 0.00 N ATOM 557 CA GLY A 35 5.841 7.216 -4.902 1.00 0.00 C ATOM 558 C GLY A 35 7.032 6.631 -4.172 1.00 0.00 C ATOM 559 O GLY A 35 8.173 6.828 -4.582 1.00 0.00 O ATOM 0 H GLY A 35 4.633 7.826 -3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.149 6.417 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.174 7.674 -5.833 1.00 0.00 H new ATOM 563 N ILE A 36 6.761 5.923 -3.076 1.00 0.00 N ATOM 564 CA ILE A 36 7.823 5.320 -2.267 1.00 0.00 C ATOM 565 C ILE A 36 8.360 4.034 -2.903 1.00 0.00 C ATOM 566 O ILE A 36 7.685 3.005 -2.904 1.00 0.00 O ATOM 567 CB ILE A 36 7.325 5.002 -0.839 1.00 0.00 C ATOM 568 CG1 ILE A 36 8.462 4.438 0.017 1.00 0.00 C ATOM 569 CG2 ILE A 36 6.155 4.026 -0.884 1.00 0.00 C ATOM 570 CD1 ILE A 36 8.050 4.123 1.438 1.00 0.00 C ATOM 0 H ILE A 36 5.818 5.752 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 36 8.629 6.053 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 36 6.981 5.930 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.843 3.531 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.282 5.156 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.818 3.814 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.336 4.466 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.473 3.099 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.905 3.728 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.697 5.032 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.251 3.382 1.429 1.00 0.00 H new ATOM 582 N PRO A 37 9.589 4.079 -3.458 1.00 0.00 N ATOM 583 CA PRO A 37 10.215 2.913 -4.102 1.00 0.00 C ATOM 584 C PRO A 37 10.455 1.739 -3.145 1.00 0.00 C ATOM 585 O PRO A 37 10.204 0.588 -3.502 1.00 0.00 O ATOM 586 CB PRO A 37 11.557 3.453 -4.615 1.00 0.00 C ATOM 587 CG PRO A 37 11.401 4.934 -4.638 1.00 0.00 C ATOM 588 CD PRO A 37 10.465 5.265 -3.515 1.00 0.00 C ATOM 0 HA PRO A 37 9.567 2.508 -4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.377 3.154 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.783 3.066 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.362 5.430 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.999 5.270 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.998 5.420 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.900 6.176 -3.715 1.00 0.00 H new ATOM 596 N PRO A 38 10.961 2.004 -1.921 1.00 0.00 N ATOM 597 CA PRO A 38 11.247 0.960 -0.931 1.00 0.00 C ATOM 598 C PRO A 38 10.214 -0.167 -0.911 1.00 0.00 C ATOM 599 O PRO A 38 9.041 0.055 -0.615 1.00 0.00 O ATOM 600 CB PRO A 38 11.228 1.734 0.380 1.00 0.00 C ATOM 601 CG PRO A 38 11.766 3.074 0.016 1.00 0.00 C ATOM 602 CD PRO A 38 11.312 3.342 -1.400 1.00 0.00 C ATOM 0 HA PRO A 38 12.185 0.447 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.219 1.806 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.843 1.250 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.393 3.840 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.854 3.088 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.456 4.017 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.101 3.806 -1.991 1.00 0.00 H new ATOM 610 N ASP A 39 10.670 -1.383 -1.222 1.00 0.00 N ATOM 611 CA ASP A 39 9.804 -2.563 -1.236 1.00 0.00 C ATOM 612 C ASP A 39 9.356 -2.984 0.173 1.00 0.00 C ATOM 613 O ASP A 39 8.665 -3.993 0.320 1.00 0.00 O ATOM 614 CB ASP A 39 10.511 -3.735 -1.921 1.00 0.00 C ATOM 615 CG ASP A 39 11.759 -4.171 -1.177 1.00 0.00 C ATOM 616 OD1 ASP A 39 11.655 -4.479 0.029 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.841 -4.204 -1.800 1.00 0.00 O ATOM 0 H ASP A 39 11.641 -1.576 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 39 8.910 -2.289 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.823 -4.577 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.779 -3.450 -2.939 1.00 0.00 H new ATOM 622 N GLN A 40 9.746 -2.234 1.209 1.00 0.00 N ATOM 623 CA GLN A 40 9.365 -2.581 2.575 1.00 0.00 C ATOM 624 C GLN A 40 8.038 -1.931 2.978 1.00 0.00 C ATOM 625 O GLN A 40 7.595 -2.081 4.116 1.00 0.00 O ATOM 626 CB GLN A 40 10.464 -2.163 3.557 1.00 0.00 C ATOM 627 CG GLN A 40 11.858 -2.586 3.125 1.00 0.00 C ATOM 628 CD GLN A 40 12.945 -1.994 4.004 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.773 -1.863 5.216 1.00 0.00 O ATOM 630 NE2 GLN A 40 14.075 -1.631 3.399 1.00 0.00 N ATOM 0 H GLN A 40 10.318 -1.394 1.126 1.00 0.00 H new ATOM 0 HA GLN A 40 9.235 -3.663 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.442 -1.080 3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.249 -2.594 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.928 -3.673 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.023 -2.279 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.177 -1.757 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.838 -1.228 3.943 1.00 0.00 H new ATOM 639 N GLN A 41 7.393 -1.223 2.046 1.00 0.00 N ATOM 640 CA GLN A 41 6.114 -0.584 2.338 1.00 0.00 C ATOM 641 C GLN A 41 4.979 -1.596 2.188 1.00 0.00 C ATOM 642 O GLN A 41 4.514 -1.858 1.078 1.00 0.00 O ATOM 643 CB GLN A 41 5.879 0.609 1.407 1.00 0.00 C ATOM 644 CG GLN A 41 4.553 1.313 1.643 1.00 0.00 C ATOM 645 CD GLN A 41 4.548 2.142 2.915 1.00 0.00 C ATOM 646 OE1 GLN A 41 5.545 2.194 3.636 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.425 2.799 3.200 1.00 0.00 N ATOM 0 H GLN A 41 7.733 -1.081 1.095 1.00 0.00 H new ATOM 0 HA GLN A 41 6.136 -0.220 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.690 1.326 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.920 0.266 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.333 1.958 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.756 0.571 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.621 2.729 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.369 3.372 4.042 1.00 0.00 H new ATOM 656 N ARG A 42 4.546 -2.175 3.308 1.00 0.00 N ATOM 657 CA ARG A 42 3.479 -3.169 3.285 1.00 0.00 C ATOM 658 C ARG A 42 2.491 -2.944 4.429 1.00 0.00 C ATOM 659 O ARG A 42 2.612 -1.980 5.184 1.00 0.00 O ATOM 660 CB ARG A 42 4.078 -4.575 3.379 1.00 0.00 C ATOM 661 CG ARG A 42 4.255 -5.252 2.027 1.00 0.00 C ATOM 662 CD ARG A 42 5.702 -5.658 1.789 1.00 0.00 C ATOM 663 NE ARG A 42 6.295 -6.309 2.959 1.00 0.00 N ATOM 664 CZ ARG A 42 7.608 -6.384 3.179 1.00 0.00 C ATOM 665 NH1 ARG A 42 8.465 -5.859 2.311 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.065 -6.987 4.268 1.00 0.00 N ATOM 0 H ARG A 42 4.917 -1.973 4.236 1.00 0.00 H new ATOM 0 HA ARG A 42 2.937 -3.067 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.046 -4.516 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.435 -5.194 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.616 -6.133 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.931 -4.576 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.752 -6.334 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.287 -4.775 1.531 1.00 0.00 H new ATOM 0 HE ARG A 42 5.668 -6.729 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.120 -5.395 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.468 -5.919 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.412 -7.394 4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.069 -7.044 4.436 1.00 0.00 H new ATOM 680 N LEU A 43 1.513 -3.841 4.553 1.00 0.00 N ATOM 681 CA LEU A 43 0.508 -3.736 5.606 1.00 0.00 C ATOM 682 C LEU A 43 0.876 -4.625 6.791 1.00 0.00 C ATOM 683 O LEU A 43 1.262 -5.781 6.613 1.00 0.00 O ATOM 684 CB LEU A 43 -0.870 -4.127 5.064 1.00 0.00 C ATOM 685 CG LEU A 43 -1.714 -2.969 4.529 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.108 -2.031 5.659 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.960 -2.213 3.445 1.00 0.00 C ATOM 0 H LEU A 43 1.397 -4.646 3.938 1.00 0.00 H new ATOM 0 HA LEU A 43 0.474 -2.701 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.735 -4.856 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.427 -4.624 5.858 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.623 -3.380 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.708 -1.213 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.689 -2.579 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.210 -1.628 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.577 -1.393 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.034 -1.813 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.729 -2.890 2.623 1.00 0.00 H new ATOM 699 N ILE A 44 0.760 -4.081 8.001 1.00 0.00 N ATOM 700 CA ILE A 44 1.087 -4.831 9.208 1.00 0.00 C ATOM 701 C ILE A 44 -0.171 -5.354 9.897 1.00 0.00 C ATOM 702 O ILE A 44 -0.679 -4.734 10.831 1.00 0.00 O ATOM 703 CB ILE A 44 1.882 -3.967 10.206 1.00 0.00 C ATOM 704 CG1 ILE A 44 3.043 -3.266 9.496 1.00 0.00 C ATOM 705 CG2 ILE A 44 2.394 -4.820 11.356 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.755 -2.249 10.360 1.00 0.00 C ATOM 0 H ILE A 44 0.443 -3.126 8.170 1.00 0.00 H new ATOM 0 HA ILE A 44 1.701 -5.676 8.895 1.00 0.00 H new ATOM 0 HB ILE A 44 1.217 -3.205 10.614 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.761 -4.016 9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.665 -2.770 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.953 -4.195 12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.550 -5.275 11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.046 -5.602 10.967 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.565 -1.793 9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.050 -1.478 10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.163 -2.743 11.242 1.00 0.00 H new ATOM 718 N PHE A 45 -0.670 -6.498 9.432 1.00 0.00 N ATOM 719 CA PHE A 45 -1.868 -7.098 10.012 1.00 0.00 C ATOM 720 C PHE A 45 -1.846 -8.618 9.864 1.00 0.00 C ATOM 721 O PHE A 45 -1.878 -9.142 8.750 1.00 0.00 O ATOM 722 CB PHE A 45 -3.124 -6.528 9.350 1.00 0.00 C ATOM 723 CG PHE A 45 -4.316 -6.493 10.262 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.178 -7.576 10.339 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.575 -5.378 11.042 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.276 -7.547 11.179 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.672 -5.344 11.883 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.523 -6.430 11.951 1.00 0.00 C ATOM 0 H PHE A 45 -0.265 -7.025 8.659 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.884 -6.855 11.075 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.914 -5.517 9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.366 -7.126 8.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.990 -8.452 9.736 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.913 -4.526 10.993 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.940 -8.398 11.231 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.863 -4.469 12.486 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.380 -6.405 12.607 1.00 0.00 H new ATOM 738 N ALA A 46 -1.792 -9.326 10.992 1.00 0.00 N ATOM 739 CA ALA A 46 -1.765 -10.782 10.976 1.00 0.00 C ATOM 740 C ALA A 46 -0.537 -11.307 10.232 1.00 0.00 C ATOM 741 O ALA A 46 -0.609 -12.327 9.547 1.00 0.00 O ATOM 742 CB ALA A 46 -3.037 -11.323 10.341 1.00 0.00 C ATOM 0 H ALA A 46 -1.766 -8.913 11.924 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.706 -11.129 12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.005 -12.413 10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.901 -10.988 10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.117 -10.956 9.318 1.00 0.00 H new ATOM 748 N GLY A 47 0.592 -10.605 10.368 1.00 0.00 N ATOM 749 CA GLY A 47 1.813 -11.024 9.698 1.00 0.00 C ATOM 750 C GLY A 47 1.593 -11.379 8.236 1.00 0.00 C ATOM 751 O GLY A 47 2.210 -12.311 7.721 1.00 0.00 O ATOM 0 H GLY A 47 0.680 -9.757 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.551 -10.225 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.229 -11.887 10.218 1.00 0.00 H new ATOM 755 N LYS A 48 0.711 -10.638 7.564 1.00 0.00 N ATOM 756 CA LYS A 48 0.420 -10.892 6.158 1.00 0.00 C ATOM 757 C LYS A 48 0.968 -9.772 5.273 1.00 0.00 C ATOM 758 O LYS A 48 0.429 -8.666 5.255 1.00 0.00 O ATOM 759 CB LYS A 48 -1.090 -11.034 5.947 1.00 0.00 C ATOM 760 CG LYS A 48 -1.550 -12.477 5.814 1.00 0.00 C ATOM 761 CD LYS A 48 -2.143 -12.995 7.114 1.00 0.00 C ATOM 762 CE LYS A 48 -3.304 -13.943 6.859 1.00 0.00 C ATOM 763 NZ LYS A 48 -2.837 -15.321 6.546 1.00 0.00 N ATOM 0 H LYS A 48 0.190 -9.861 7.971 1.00 0.00 H new ATOM 0 HA LYS A 48 0.910 -11.824 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.611 -10.570 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.377 -10.485 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.292 -12.552 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.707 -13.103 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.372 -13.509 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.484 -12.155 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.951 -13.969 7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.905 -13.567 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.659 -15.936 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.241 -15.300 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.285 -15.691 7.346 1.00 0.00 H new ATOM 777 N GLN A 49 2.037 -10.068 4.535 1.00 0.00 N ATOM 778 CA GLN A 49 2.644 -9.082 3.645 1.00 0.00 C ATOM 779 C GLN A 49 1.997 -9.138 2.263 1.00 0.00 C ATOM 780 O GLN A 49 1.855 -10.213 1.681 1.00 0.00 O ATOM 781 CB GLN A 49 4.151 -9.321 3.529 1.00 0.00 C ATOM 782 CG GLN A 49 4.852 -9.445 4.872 1.00 0.00 C ATOM 783 CD GLN A 49 5.519 -10.796 5.061 1.00 0.00 C ATOM 784 OE1 GLN A 49 5.264 -11.492 6.044 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.380 -11.178 4.119 1.00 0.00 N ATOM 0 H GLN A 49 2.498 -10.978 4.536 1.00 0.00 H new ATOM 0 HA GLN A 49 2.478 -8.092 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.323 -10.230 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.599 -8.500 2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.602 -8.659 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.128 -9.287 5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.564 -10.572 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.856 -12.077 4.197 1.00 0.00 H new ATOM 794 N LEU A 50 1.601 -7.978 1.742 1.00 0.00 N ATOM 795 CA LEU A 50 0.966 -7.911 0.427 1.00 0.00 C ATOM 796 C LEU A 50 1.997 -7.987 -0.700 1.00 0.00 C ATOM 797 O LEU A 50 2.138 -7.049 -1.485 1.00 0.00 O ATOM 798 CB LEU A 50 0.142 -6.625 0.294 1.00 0.00 C ATOM 799 CG LEU A 50 0.945 -5.326 0.411 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.010 -4.611 -0.931 1.00 0.00 C ATOM 801 CD2 LEU A 50 0.340 -4.417 1.471 1.00 0.00 C ATOM 0 H LEU A 50 1.708 -7.077 2.207 1.00 0.00 H new ATOM 0 HA LEU A 50 0.304 -8.773 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.366 -6.635 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.632 -6.626 1.062 1.00 0.00 H new ATOM 0 HG LEU A 50 1.961 -5.579 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.585 -3.691 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.491 -5.258 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.000 -4.372 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.924 -3.499 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.687 -4.174 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.349 -4.926 2.435 1.00 0.00 H new ATOM 813 N GLU A 51 2.712 -9.109 -0.788 1.00 0.00 N ATOM 814 CA GLU A 51 3.713 -9.290 -1.834 1.00 0.00 C ATOM 815 C GLU A 51 3.079 -9.912 -3.076 1.00 0.00 C ATOM 816 O GLU A 51 2.981 -9.269 -4.122 1.00 0.00 O ATOM 817 CB GLU A 51 4.866 -10.165 -1.333 1.00 0.00 C ATOM 818 CG GLU A 51 6.236 -9.672 -1.770 1.00 0.00 C ATOM 819 CD GLU A 51 6.681 -8.436 -1.013 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.319 -8.589 0.050 1.00 0.00 O ATOM 821 OE2 GLU A 51 6.391 -7.316 -1.482 1.00 0.00 O ATOM 0 H GLU A 51 2.616 -9.900 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 51 4.112 -8.311 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.834 -10.206 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.723 -11.183 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.968 -10.466 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.215 -9.452 -2.837 1.00 0.00 H new ATOM 828 N ASP A 52 2.630 -11.164 -2.949 1.00 0.00 N ATOM 829 CA ASP A 52 1.990 -11.867 -4.042 1.00 0.00 C ATOM 830 C ASP A 52 0.926 -10.992 -4.668 1.00 0.00 C ATOM 831 O ASP A 52 0.036 -10.496 -3.978 1.00 0.00 O ATOM 832 CB ASP A 52 1.368 -13.180 -3.555 1.00 0.00 C ATOM 833 CG ASP A 52 1.155 -14.171 -4.683 1.00 0.00 C ATOM 834 OD1 ASP A 52 1.115 -13.738 -5.853 1.00 0.00 O ATOM 835 OD2 ASP A 52 1.029 -15.380 -4.396 1.00 0.00 O ATOM 0 H ASP A 52 2.703 -11.707 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 52 2.748 -12.102 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.014 -13.627 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.413 -12.970 -3.074 1.00 0.00 H new ATOM 840 N GLY A 53 1.025 -10.799 -5.967 1.00 0.00 N ATOM 841 CA GLY A 53 0.057 -9.975 -6.670 1.00 0.00 C ATOM 842 C GLY A 53 -1.342 -10.575 -6.654 1.00 0.00 C ATOM 843 O GLY A 53 -1.905 -10.870 -7.709 1.00 0.00 O ATOM 0 H GLY A 53 1.758 -11.196 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.029 -8.985 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.380 -9.842 -7.703 1.00 0.00 H new ATOM 847 N ARG A 54 -1.908 -10.759 -5.458 1.00 0.00 N ATOM 848 CA ARG A 54 -3.243 -11.328 -5.325 1.00 0.00 C ATOM 849 C ARG A 54 -4.253 -10.254 -4.919 1.00 0.00 C ATOM 850 O ARG A 54 -3.923 -9.069 -4.871 1.00 0.00 O ATOM 851 CB ARG A 54 -3.231 -12.459 -4.293 1.00 0.00 C ATOM 852 CG ARG A 54 -3.527 -13.826 -4.887 1.00 0.00 C ATOM 853 CD ARG A 54 -2.383 -14.313 -5.761 1.00 0.00 C ATOM 854 NE ARG A 54 -2.569 -15.698 -6.185 1.00 0.00 N ATOM 855 CZ ARG A 54 -3.372 -16.067 -7.182 1.00 0.00 C ATOM 856 NH1 ARG A 54 -4.064 -15.157 -7.857 1.00 0.00 N ATOM 857 NH2 ARG A 54 -3.485 -17.349 -7.504 1.00 0.00 N ATOM 0 H ARG A 54 -1.460 -10.521 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.543 -11.732 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.256 -12.486 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.967 -12.241 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.703 -14.542 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.442 -13.777 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.300 -13.673 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.445 -14.225 -5.213 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.054 -16.425 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.982 -14.170 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.677 -15.445 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.957 -18.053 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.100 -17.631 -8.267 1.00 0.00 H new ATOM 871 N THR A 55 -5.484 -10.673 -4.622 1.00 0.00 N ATOM 872 CA THR A 55 -6.529 -9.741 -4.220 1.00 0.00 C ATOM 873 C THR A 55 -6.669 -9.713 -2.699 1.00 0.00 C ATOM 874 O THR A 55 -6.500 -10.734 -2.035 1.00 0.00 O ATOM 875 CB THR A 55 -7.863 -10.130 -4.861 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.708 -10.327 -6.256 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.950 -9.097 -4.662 1.00 0.00 C ATOM 0 H THR A 55 -5.778 -11.649 -4.653 1.00 0.00 H new ATOM 0 HA THR A 55 -6.249 -8.745 -4.562 1.00 0.00 H new ATOM 0 HB THR A 55 -8.166 -11.050 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.570 -10.577 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.868 -9.437 -5.142 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.128 -8.957 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.638 -8.151 -5.105 1.00 0.00 H new ATOM 885 N LEU A 56 -6.975 -8.538 -2.150 1.00 0.00 N ATOM 886 CA LEU A 56 -7.132 -8.390 -0.704 1.00 0.00 C ATOM 887 C LEU A 56 -8.103 -9.432 -0.143 1.00 0.00 C ATOM 888 O LEU A 56 -7.869 -9.994 0.927 1.00 0.00 O ATOM 889 CB LEU A 56 -7.629 -6.983 -0.357 1.00 0.00 C ATOM 890 CG LEU A 56 -8.924 -6.561 -1.054 1.00 0.00 C ATOM 891 CD1 LEU A 56 -10.132 -6.955 -0.218 1.00 0.00 C ATOM 892 CD2 LEU A 56 -8.923 -5.062 -1.318 1.00 0.00 C ATOM 0 H LEU A 56 -7.118 -7.679 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.154 -8.547 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.779 -6.923 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.848 -6.266 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.985 -7.079 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.044 -6.647 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.141 -8.036 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.077 -6.465 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.851 -4.779 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.839 -4.526 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.078 -4.806 -1.957 1.00 0.00 H new ATOM 904 N SER A 57 -9.191 -9.685 -0.869 1.00 0.00 N ATOM 905 CA SER A 57 -10.192 -10.658 -0.431 1.00 0.00 C ATOM 906 C SER A 57 -9.561 -12.025 -0.162 1.00 0.00 C ATOM 907 O SER A 57 -9.755 -12.605 0.907 1.00 0.00 O ATOM 908 CB SER A 57 -11.301 -10.798 -1.478 1.00 0.00 C ATOM 909 OG SER A 57 -12.073 -11.965 -1.254 1.00 0.00 O ATOM 0 H SER A 57 -9.402 -9.233 -1.759 1.00 0.00 H new ATOM 0 HA SER A 57 -10.622 -10.289 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.947 -9.920 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.861 -10.835 -2.475 1.00 0.00 H new ATOM 0 HG SER A 57 -12.774 -12.029 -1.935 1.00 0.00 H new ATOM 915 N ASP A 58 -8.809 -12.542 -1.135 1.00 0.00 N ATOM 916 CA ASP A 58 -8.162 -13.848 -0.987 1.00 0.00 C ATOM 917 C ASP A 58 -7.107 -13.851 0.126 1.00 0.00 C ATOM 918 O ASP A 58 -6.681 -14.918 0.570 1.00 0.00 O ATOM 919 CB ASP A 58 -7.526 -14.291 -2.308 1.00 0.00 C ATOM 920 CG ASP A 58 -6.428 -13.354 -2.771 1.00 0.00 C ATOM 921 OD1 ASP A 58 -5.542 -13.027 -1.954 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.453 -12.950 -3.952 1.00 0.00 O ATOM 0 H ASP A 58 -8.633 -12.081 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.942 -14.556 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.117 -15.294 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.297 -14.349 -3.076 1.00 0.00 H new ATOM 927 N TYR A 59 -6.673 -12.668 0.576 1.00 0.00 N ATOM 928 CA TYR A 59 -5.662 -12.583 1.627 1.00 0.00 C ATOM 929 C TYR A 59 -6.290 -12.356 3.007 1.00 0.00 C ATOM 930 O TYR A 59 -5.741 -11.622 3.829 1.00 0.00 O ATOM 931 CB TYR A 59 -4.670 -11.459 1.314 1.00 0.00 C ATOM 932 CG TYR A 59 -3.224 -11.904 1.333 1.00 0.00 C ATOM 933 CD1 TYR A 59 -2.675 -12.588 0.255 1.00 0.00 C ATOM 934 CD2 TYR A 59 -2.410 -11.641 2.427 1.00 0.00 C ATOM 935 CE1 TYR A 59 -1.355 -12.997 0.268 1.00 0.00 C ATOM 936 CE2 TYR A 59 -1.089 -12.046 2.447 1.00 0.00 C ATOM 937 CZ TYR A 59 -0.566 -12.723 1.365 1.00 0.00 C ATOM 938 OH TYR A 59 0.749 -13.128 1.381 1.00 0.00 O ATOM 0 H TYR A 59 -7.004 -11.767 0.231 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.136 -13.537 1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.901 -11.045 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.804 -10.656 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.290 -12.803 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.816 -11.111 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.943 -13.529 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.469 -11.834 3.306 1.00 0.00 H new ATOM 0 HH TYR A 59 1.331 -12.347 1.488 1.00 0.00 H new ATOM 948 N ASN A 60 -7.433 -12.995 3.266 1.00 0.00 N ATOM 949 CA ASN A 60 -8.129 -12.874 4.551 1.00 0.00 C ATOM 950 C ASN A 60 -8.685 -11.465 4.799 1.00 0.00 C ATOM 951 O ASN A 60 -9.791 -11.321 5.320 1.00 0.00 O ATOM 952 CB ASN A 60 -7.191 -13.262 5.695 1.00 0.00 C ATOM 953 CG ASN A 60 -7.897 -14.059 6.778 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.581 -13.493 7.630 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.737 -15.381 6.752 1.00 0.00 N ATOM 0 H ASN A 60 -7.900 -13.607 2.597 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.979 -13.555 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.362 -13.848 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.763 -12.360 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.190 -15.964 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.161 -15.811 6.028 1.00 0.00 H new ATOM 962 N ILE A 61 -7.929 -10.430 4.441 1.00 0.00 N ATOM 963 CA ILE A 61 -8.379 -9.055 4.652 1.00 0.00 C ATOM 964 C ILE A 61 -9.384 -8.629 3.583 1.00 0.00 C ATOM 965 O ILE A 61 -9.023 -8.415 2.427 1.00 0.00 O ATOM 966 CB ILE A 61 -7.199 -8.059 4.661 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.390 -8.162 3.364 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.308 -8.307 5.871 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.241 -6.843 2.640 1.00 0.00 C ATOM 0 H ILE A 61 -7.010 -10.515 4.007 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.862 -9.036 5.629 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.602 -7.048 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.400 -8.556 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.872 -8.879 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.480 -7.598 5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.890 -8.178 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.916 -9.323 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.658 -6.991 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.227 -6.457 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.731 -6.129 3.286 1.00 0.00 H new ATOM 981 N GLN A 62 -10.652 -8.506 3.980 1.00 0.00 N ATOM 982 CA GLN A 62 -11.706 -8.105 3.054 1.00 0.00 C ATOM 983 C GLN A 62 -12.057 -6.629 3.232 1.00 0.00 C ATOM 984 O GLN A 62 -11.411 -5.918 4.003 1.00 0.00 O ATOM 985 CB GLN A 62 -12.951 -8.972 3.263 1.00 0.00 C ATOM 986 CG GLN A 62 -13.512 -9.552 1.975 1.00 0.00 C ATOM 987 CD GLN A 62 -14.981 -9.919 2.091 1.00 0.00 C ATOM 988 OE1 GLN A 62 -15.351 -11.082 1.932 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.827 -8.930 2.369 1.00 0.00 N ATOM 0 H GLN A 62 -10.970 -8.678 4.934 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.339 -8.248 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.705 -9.788 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.722 -8.374 3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.384 -8.829 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.940 -10.439 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.478 -7.980 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.825 -9.122 2.458 1.00 0.00 H new ATOM 998 N LYS A 63 -13.084 -6.169 2.514 1.00 0.00 N ATOM 999 CA LYS A 63 -13.515 -4.773 2.595 1.00 0.00 C ATOM 1000 C LYS A 63 -13.705 -4.332 4.046 1.00 0.00 C ATOM 1001 O LYS A 63 -14.032 -5.142 4.913 1.00 0.00 O ATOM 1002 CB LYS A 63 -14.818 -4.565 1.818 1.00 0.00 C ATOM 1003 CG LYS A 63 -14.614 -4.391 0.322 1.00 0.00 C ATOM 1004 CD LYS A 63 -14.828 -5.697 -0.426 1.00 0.00 C ATOM 1005 CE LYS A 63 -13.508 -6.380 -0.743 1.00 0.00 C ATOM 1006 NZ LYS A 63 -13.069 -6.117 -2.142 1.00 0.00 N ATOM 0 H LYS A 63 -13.631 -6.742 1.872 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.730 -4.162 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.474 -5.419 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.329 -3.686 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.305 -3.637 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.606 -4.023 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.449 -6.363 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.370 -5.503 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.743 -6.030 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.609 -7.454 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.354 -6.820 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.887 -6.184 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.659 -5.163 -2.204 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.498 -3.039 4.303 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.648 -2.486 5.648 1.00 0.00 C ATOM 1022 C GLU A 64 -12.611 -3.059 6.619 1.00 0.00 C ATOM 1023 O GLU A 64 -12.793 -2.987 7.834 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.058 -2.758 6.175 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.424 -1.924 7.393 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.309 -0.743 7.046 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.061 -0.101 6.004 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.251 -0.461 7.817 1.00 0.00 O ATOM 0 H GLU A 64 -13.226 -2.356 3.596 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.484 -1.411 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.778 -2.561 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.144 -3.814 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.935 -2.555 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.512 -1.563 7.869 1.00 0.00 H new ATOM 1035 N SER A 65 -11.522 -3.622 6.090 1.00 0.00 N ATOM 1036 CA SER A 65 -10.475 -4.189 6.936 1.00 0.00 C ATOM 1037 C SER A 65 -9.622 -3.086 7.559 1.00 0.00 C ATOM 1038 O SER A 65 -9.824 -1.904 7.279 1.00 0.00 O ATOM 1039 CB SER A 65 -9.588 -5.143 6.131 1.00 0.00 C ATOM 1040 OG SER A 65 -10.052 -6.479 6.230 1.00 0.00 O ATOM 0 H SER A 65 -11.345 -3.696 5.088 1.00 0.00 H new ATOM 0 HA SER A 65 -10.959 -4.749 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.575 -4.836 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.562 -5.084 6.494 1.00 0.00 H new ATOM 0 HG SER A 65 -10.777 -6.622 5.586 1.00 0.00 H new ATOM 1046 N THR A 66 -8.660 -3.477 8.392 1.00 0.00 N ATOM 1047 CA THR A 66 -7.773 -2.516 9.037 1.00 0.00 C ATOM 1048 C THR A 66 -6.464 -2.399 8.260 1.00 0.00 C ATOM 1049 O THR A 66 -5.702 -3.362 8.168 1.00 0.00 O ATOM 1050 CB THR A 66 -7.491 -2.933 10.483 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.489 -3.821 10.953 1.00 0.00 O ATOM 1052 CG2 THR A 66 -7.429 -1.763 11.442 1.00 0.00 C ATOM 0 H THR A 66 -8.476 -4.451 8.635 1.00 0.00 H new ATOM 0 HA THR A 66 -8.266 -1.544 9.045 1.00 0.00 H new ATOM 0 HB THR A 66 -6.514 -3.415 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.065 -4.622 11.325 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.226 -2.128 12.449 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.634 -1.083 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.382 -1.234 11.433 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.211 -1.223 7.689 1.00 0.00 N ATOM 1061 CA LEU A 67 -4.997 -1.005 6.908 1.00 0.00 C ATOM 1062 C LEU A 67 -3.923 -0.293 7.730 1.00 0.00 C ATOM 1063 O LEU A 67 -3.846 0.937 7.733 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.316 -0.195 5.649 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.397 -1.011 4.358 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -6.462 -2.090 4.475 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.682 -0.104 3.172 1.00 0.00 C ATOM 0 H LEU A 67 -6.826 -0.412 7.752 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.608 -1.981 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.266 0.318 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.554 0.574 5.527 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.434 -1.496 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.505 -2.660 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.214 -2.758 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.431 -1.626 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.736 -0.701 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.631 0.409 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.883 0.631 3.076 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.085 -1.070 8.414 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.008 -0.508 9.222 1.00 0.00 C ATOM 1081 C HIS A 68 -0.683 -0.589 8.465 1.00 0.00 C ATOM 1082 O HIS A 68 -0.008 -1.617 8.491 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.898 -1.248 10.556 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.673 -0.603 11.663 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.153 -0.389 12.921 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -3.939 -0.122 11.694 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.064 0.194 13.680 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.156 0.368 12.958 1.00 0.00 N ATOM 0 H HIS A 68 -3.132 -2.089 8.424 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.236 0.539 9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.250 -2.271 10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.848 -1.307 10.844 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.646 -0.124 10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.937 0.479 14.714 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.021 0.797 13.286 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.320 0.496 7.784 1.00 0.00 N ATOM 1098 CA LEU A 69 0.919 0.534 7.012 1.00 0.00 C ATOM 1099 C LEU A 69 2.066 1.122 7.834 1.00 0.00 C ATOM 1100 O LEU A 69 1.872 1.541 8.975 1.00 0.00 O ATOM 1101 CB LEU A 69 0.721 1.355 5.734 1.00 0.00 C ATOM 1102 CG LEU A 69 0.096 0.590 4.564 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.016 1.407 3.923 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.156 0.229 3.533 1.00 0.00 C ATOM 0 H LEU A 69 -0.865 1.358 7.751 1.00 0.00 H new ATOM 0 HA LEU A 69 1.179 -0.491 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.090 2.213 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.688 1.746 5.418 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.336 -0.333 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.448 0.847 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.789 1.613 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.609 2.348 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.692 -0.314 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.618 1.140 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.917 -0.398 3.998 1.00 0.00 H new ATOM 1116 N VAL A 70 3.262 1.149 7.245 1.00 0.00 N ATOM 1117 CA VAL A 70 4.437 1.683 7.923 1.00 0.00 C ATOM 1118 C VAL A 70 4.782 3.076 7.394 1.00 0.00 C ATOM 1119 O VAL A 70 4.411 3.431 6.276 1.00 0.00 O ATOM 1120 CB VAL A 70 5.653 0.750 7.742 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.025 0.628 6.272 1.00 0.00 C ATOM 1122 CG2 VAL A 70 6.838 1.241 8.559 1.00 0.00 C ATOM 0 H VAL A 70 3.440 0.807 6.301 1.00 0.00 H new ATOM 0 HA VAL A 70 4.200 1.752 8.985 1.00 0.00 H new ATOM 0 HB VAL A 70 5.377 -0.240 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.885 -0.034 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.182 0.218 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.276 1.613 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.683 0.568 8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.114 2.244 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.568 1.264 9.615 1.00 0.00 H new ATOM 1132 N LEU A 71 5.488 3.866 8.204 1.00 0.00 N ATOM 1133 CA LEU A 71 5.868 5.219 7.802 1.00 0.00 C ATOM 1134 C LEU A 71 7.030 5.188 6.812 1.00 0.00 C ATOM 1135 O LEU A 71 7.828 4.250 6.808 1.00 0.00 O ATOM 1136 CB LEU A 71 6.252 6.056 9.027 1.00 0.00 C ATOM 1137 CG LEU A 71 5.073 6.639 9.809 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.356 6.610 11.303 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.779 8.059 9.348 1.00 0.00 C ATOM 0 H LEU A 71 5.806 3.595 9.135 1.00 0.00 H new ATOM 0 HA LEU A 71 5.007 5.677 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.844 5.436 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.893 6.875 8.702 1.00 0.00 H new ATOM 0 HG LEU A 71 4.194 6.025 9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.506 7.029 11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.517 5.581 11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.247 7.200 11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.938 8.459 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.657 8.684 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.532 8.053 8.286 1.00 0.00 H new ATOM 1151 N ARG A 72 7.119 6.218 5.970 1.00 0.00 N ATOM 1152 CA ARG A 72 8.186 6.302 4.973 1.00 0.00 C ATOM 1153 C ARG A 72 9.388 7.109 5.481 1.00 0.00 C ATOM 1154 O ARG A 72 10.132 7.678 4.683 1.00 0.00 O ATOM 1155 CB ARG A 72 7.653 6.929 3.682 1.00 0.00 C ATOM 1156 CG ARG A 72 6.297 6.388 3.255 1.00 0.00 C ATOM 1157 CD ARG A 72 5.631 7.295 2.234 1.00 0.00 C ATOM 1158 NE ARG A 72 4.757 6.552 1.329 1.00 0.00 N ATOM 1159 CZ ARG A 72 3.611 5.985 1.703 1.00 0.00 C ATOM 1160 NH1 ARG A 72 3.198 6.078 2.962 1.00 0.00 N ATOM 1161 NH2 ARG A 72 2.876 5.324 0.819 1.00 0.00 N ATOM 0 H ARG A 72 6.468 7.003 5.958 1.00 0.00 H new ATOM 0 HA ARG A 72 8.527 5.285 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.578 8.008 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.372 6.757 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.419 5.391 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.653 6.287 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.051 8.059 2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.396 7.813 1.655 1.00 0.00 H new ATOM 0 HE ARG A 72 5.041 6.462 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.759 6.585 3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.320 5.642 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.188 5.249 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.999 4.891 1.107 1.00 0.00 H new ATOM 1175 N LEU A 73 9.583 7.158 6.801 1.00 0.00 N ATOM 1176 CA LEU A 73 10.704 7.900 7.371 1.00 0.00 C ATOM 1177 C LEU A 73 11.993 7.085 7.286 1.00 0.00 C ATOM 1178 O LEU A 73 12.913 7.440 6.550 1.00 0.00 O ATOM 1179 CB LEU A 73 10.418 8.276 8.828 1.00 0.00 C ATOM 1180 CG LEU A 73 9.698 9.611 9.022 1.00 0.00 C ATOM 1181 CD1 LEU A 73 10.542 10.755 8.481 1.00 0.00 C ATOM 1182 CD2 LEU A 73 8.336 9.584 8.344 1.00 0.00 C ATOM 0 H LEU A 73 8.985 6.697 7.487 1.00 0.00 H new ATOM 0 HA LEU A 73 10.831 8.814 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.817 7.487 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.362 8.307 9.371 1.00 0.00 H new ATOM 0 HG LEU A 73 9.548 9.771 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.014 11.697 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.494 10.786 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.723 10.602 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.837 10.542 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.464 9.402 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.730 8.788 8.777 1.00 0.00 H new ATOM 1194 N ARG A 74 12.054 5.990 8.044 1.00 0.00 N ATOM 1195 CA ARG A 74 13.234 5.131 8.045 1.00 0.00 C ATOM 1196 C ARG A 74 13.115 4.041 6.982 1.00 0.00 C ATOM 1197 O ARG A 74 12.013 3.703 6.551 1.00 0.00 O ATOM 1198 CB ARG A 74 13.432 4.495 9.425 1.00 0.00 C ATOM 1199 CG ARG A 74 14.889 4.403 9.848 1.00 0.00 C ATOM 1200 CD ARG A 74 15.022 3.898 11.276 1.00 0.00 C ATOM 1201 NE ARG A 74 16.418 3.781 11.689 1.00 0.00 N ATOM 1202 CZ ARG A 74 17.250 2.846 11.233 1.00 0.00 C ATOM 1203 NH1 ARG A 74 16.830 1.947 10.351 1.00 0.00 N ATOM 1204 NH2 ARG A 74 18.505 2.808 11.661 1.00 0.00 N ATOM 0 H ARG A 74 11.304 5.680 8.661 1.00 0.00 H new ATOM 0 HA ARG A 74 14.101 5.749 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.883 5.076 10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.000 3.494 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.424 3.735 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 74 15.357 5.384 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.500 4.577 11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.536 2.926 11.363 1.00 0.00 H new ATOM 0 HE ARG A 74 16.777 4.454 12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.866 1.970 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.472 1.233 10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.833 3.495 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.142 2.092 11.311 1.00 0.00 H new ATOM 1218 N GLY A 75 14.254 3.494 6.561 1.00 0.00 N ATOM 1219 CA GLY A 75 14.244 2.451 5.552 1.00 0.00 C ATOM 1220 C GLY A 75 15.299 1.388 5.805 1.00 0.00 C ATOM 1221 O GLY A 75 15.150 0.562 6.705 1.00 0.00 O ATOM 0 H GLY A 75 15.180 3.755 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.260 1.983 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.410 2.897 4.571 1.00 0.00 H new ATOM 1225 N GLY A 76 16.368 1.407 5.010 1.00 0.00 N ATOM 1226 CA GLY A 76 17.429 0.432 5.175 1.00 0.00 C ATOM 1227 C GLY A 76 18.558 0.944 6.048 1.00 0.00 C ATOM 1228 O GLY A 76 18.519 2.132 6.431 1.00 0.00 O ATOM 1229 OXT GLY A 76 19.479 0.157 6.349 1.00 0.00 O ATOM 0 H GLY A 76 16.516 2.079 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.018 -0.477 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.825 0.162 4.196 1.00 0.00 H new TER 1233 GLY A 76