USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 12 THR OG1 : rot 157:sc= 0.44 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -170:sc= 0.481 (180deg=0) USER MOD Set 2.1: A 21 MET CE :methyl -115:sc= -2.43! (180deg=-0.616) USER MOD Set 2.2: A 35 HIS : no HE2:sc= -0.159 K(o=-2.6,f=-4.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.811 (180deg=0.555!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -170:sc= -0.834 USER MOD Single : A 19 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -107:sc= -1.32 (180deg=-3.94!) USER MOD Single : A 28 ASN : amide:sc=-0.00769 K(o=-0.0077,f=-1.2!) USER MOD Single : A 30 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.3) USER MOD Single : A 34 CYS SG : rot 60:sc= -12! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0421 (180deg=-0.45) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 42:sc= 0.148 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00388 USER MOD Single : A 68 THR OG1 : rot 80:sc= -1.03! USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= 0.48 (180deg=-0.683!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.783 -3.331 24.933 1.00 0.00 N ATOM 2 CA MET A 1 0.413 -3.257 23.500 1.00 0.00 C ATOM 3 C MET A 1 1.326 -4.157 22.675 1.00 0.00 C ATOM 4 O MET A 1 0.878 -5.108 22.065 1.00 0.00 O ATOM 5 CB MET A 1 0.566 -1.815 22.991 1.00 0.00 C ATOM 6 CG MET A 1 -0.065 -0.852 23.999 1.00 0.00 C ATOM 7 SD MET A 1 -1.294 -1.530 25.140 1.00 0.00 S ATOM 8 CE MET A 1 -1.622 -0.001 26.052 1.00 0.00 C ATOM 0 H1 MET A 1 -0.016 -3.007 25.515 1.00 0.00 H new ATOM 0 H2 MET A 1 1.016 -4.314 25.181 1.00 0.00 H new ATOM 0 H3 MET A 1 1.609 -2.724 25.110 1.00 0.00 H new ATOM 0 HA MET A 1 -0.622 -3.582 23.397 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.621 -1.576 22.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.085 -1.708 22.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.737 -0.411 24.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.534 -0.041 23.442 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.368 -0.191 26.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.701 0.350 26.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.995 0.759 25.366 1.00 0.00 H new ATOM 17 N ALA A 2 2.594 -3.842 22.672 1.00 0.00 N ATOM 18 CA ALA A 2 3.549 -4.669 21.891 1.00 0.00 C ATOM 19 C ALA A 2 4.939 -4.638 22.517 1.00 0.00 C ATOM 20 O ALA A 2 5.928 -4.859 21.847 1.00 0.00 O ATOM 21 CB ALA A 2 3.637 -4.090 20.472 1.00 0.00 C ATOM 0 H ALA A 2 3.004 -3.054 23.173 1.00 0.00 H new ATOM 0 HA ALA A 2 3.197 -5.700 21.878 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.334 -4.683 19.880 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.652 -4.116 20.007 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.988 -3.059 20.521 1.00 0.00 H new ATOM 27 N LYS A 3 4.991 -4.366 23.791 1.00 0.00 N ATOM 28 CA LYS A 3 6.310 -4.317 24.472 1.00 0.00 C ATOM 29 C LYS A 3 7.311 -3.508 23.655 1.00 0.00 C ATOM 30 O LYS A 3 8.267 -4.046 23.134 1.00 0.00 O ATOM 31 CB LYS A 3 6.837 -5.755 24.607 1.00 0.00 C ATOM 32 CG LYS A 3 5.995 -6.506 25.640 1.00 0.00 C ATOM 33 CD LYS A 3 6.511 -7.945 25.755 1.00 0.00 C ATOM 34 CE LYS A 3 5.735 -8.674 26.859 1.00 0.00 C ATOM 35 NZ LYS A 3 6.635 -8.998 28.005 1.00 0.00 N ATOM 0 H LYS A 3 4.183 -4.177 24.384 1.00 0.00 H new ATOM 0 HA LYS A 3 6.190 -3.846 25.448 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.791 -6.264 23.644 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.883 -5.744 24.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.053 -6.007 26.607 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.946 -6.505 25.343 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.389 -8.465 24.805 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.577 -7.944 25.983 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.909 -8.051 27.203 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.299 -9.590 26.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.093 -9.491 28.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.409 -9.610 27.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.031 -8.119 28.395 1.00 0.00 H new ATOM 49 N LYS A 4 7.077 -2.226 23.558 1.00 0.00 N ATOM 50 CA LYS A 4 8.010 -1.375 22.777 1.00 0.00 C ATOM 51 C LYS A 4 8.072 0.036 23.351 1.00 0.00 C ATOM 52 O LYS A 4 7.319 0.380 24.240 1.00 0.00 O ATOM 53 CB LYS A 4 7.499 -1.297 21.328 1.00 0.00 C ATOM 54 CG LYS A 4 8.490 -0.481 20.489 1.00 0.00 C ATOM 55 CD LYS A 4 8.284 -0.806 19.006 1.00 0.00 C ATOM 56 CE LYS A 4 9.486 -1.605 18.495 1.00 0.00 C ATOM 57 NZ LYS A 4 9.473 -2.983 19.061 1.00 0.00 N ATOM 0 H LYS A 4 6.288 -1.739 23.982 1.00 0.00 H new ATOM 0 HA LYS A 4 9.008 -1.812 22.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.391 -2.299 20.913 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.513 -0.833 21.302 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.341 0.585 20.664 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.513 -0.713 20.786 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.367 -1.379 18.871 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.173 0.114 18.432 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.463 -1.652 17.406 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.411 -1.100 18.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.294 -3.512 18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.517 -2.932 20.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.598 -3.468 18.775 1.00 0.00 H new ATOM 71 N ASP A 5 8.976 0.825 22.822 1.00 0.00 N ATOM 72 CA ASP A 5 9.125 2.219 23.304 1.00 0.00 C ATOM 73 C ASP A 5 8.948 2.310 24.817 1.00 0.00 C ATOM 74 O ASP A 5 9.286 1.392 25.539 1.00 0.00 O ATOM 75 CB ASP A 5 8.060 3.089 22.616 1.00 0.00 C ATOM 76 CG ASP A 5 6.667 2.566 22.963 1.00 0.00 C ATOM 77 OD1 ASP A 5 6.041 3.202 23.792 1.00 0.00 O ATOM 78 OD2 ASP A 5 6.307 1.558 22.378 1.00 0.00 O ATOM 0 H ASP A 5 9.616 0.555 22.075 1.00 0.00 H new ATOM 0 HA ASP A 5 10.129 2.567 23.062 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.160 4.126 22.937 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.206 3.074 21.536 1.00 0.00 H new ATOM 83 N VAL A 6 8.419 3.422 25.260 1.00 0.00 N ATOM 84 CA VAL A 6 8.201 3.620 26.725 1.00 0.00 C ATOM 85 C VAL A 6 6.710 3.674 27.056 1.00 0.00 C ATOM 86 O VAL A 6 5.877 3.664 26.172 1.00 0.00 O ATOM 87 CB VAL A 6 8.845 4.960 27.120 1.00 0.00 C ATOM 88 CG1 VAL A 6 7.919 6.106 26.710 1.00 0.00 C ATOM 89 CG2 VAL A 6 9.052 4.997 28.634 1.00 0.00 C ATOM 0 H VAL A 6 8.128 4.202 24.670 1.00 0.00 H new ATOM 0 HA VAL A 6 8.644 2.787 27.271 1.00 0.00 H new ATOM 0 HB VAL A 6 9.806 5.065 26.617 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.372 7.057 26.988 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.763 6.080 25.631 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.960 5.999 27.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.508 5.946 28.916 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.090 4.894 29.135 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.706 4.177 28.932 1.00 0.00 H new ATOM 99 N ILE A 7 6.403 3.735 28.336 1.00 0.00 N ATOM 100 CA ILE A 7 4.975 3.792 28.754 1.00 0.00 C ATOM 101 C ILE A 7 4.606 5.203 29.174 1.00 0.00 C ATOM 102 O ILE A 7 5.426 5.917 29.707 1.00 0.00 O ATOM 103 CB ILE A 7 4.784 2.857 29.952 1.00 0.00 C ATOM 104 CG1 ILE A 7 5.007 1.411 29.521 1.00 0.00 C ATOM 105 CG2 ILE A 7 3.338 3.000 30.458 1.00 0.00 C ATOM 106 CD1 ILE A 7 6.473 1.036 29.754 1.00 0.00 C ATOM 0 H ILE A 7 7.081 3.747 29.098 1.00 0.00 H new ATOM 0 HA ILE A 7 4.341 3.491 27.920 1.00 0.00 H new ATOM 0 HB ILE A 7 5.496 3.117 30.735 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.355 0.746 30.087 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.751 1.289 28.469 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.184 2.340 31.312 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.158 4.032 30.760 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.645 2.729 29.661 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.637 0.003 29.447 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.115 1.695 29.169 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.712 1.143 30.812 1.00 0.00 H new ATOM 118 N GLU A 8 3.375 5.579 28.919 1.00 0.00 N ATOM 119 CA GLU A 8 2.921 6.951 29.296 1.00 0.00 C ATOM 120 C GLU A 8 1.713 6.887 30.226 1.00 0.00 C ATOM 121 O GLU A 8 0.734 6.232 29.929 1.00 0.00 O ATOM 122 CB GLU A 8 2.519 7.688 28.009 1.00 0.00 C ATOM 123 CG GLU A 8 3.528 7.351 26.908 1.00 0.00 C ATOM 124 CD GLU A 8 3.495 8.439 25.835 1.00 0.00 C ATOM 125 OE1 GLU A 8 4.065 9.484 26.105 1.00 0.00 O ATOM 126 OE2 GLU A 8 2.903 8.165 24.804 1.00 0.00 O ATOM 0 H GLU A 8 2.670 4.996 28.468 1.00 0.00 H new ATOM 0 HA GLU A 8 3.728 7.469 29.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.515 7.393 27.703 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.496 8.764 28.182 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.530 7.272 27.330 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.291 6.383 26.467 1.00 0.00 H new ATOM 133 N LEU A 9 1.806 7.570 31.342 1.00 0.00 N ATOM 134 CA LEU A 9 0.670 7.560 32.305 1.00 0.00 C ATOM 135 C LEU A 9 0.518 8.913 32.996 1.00 0.00 C ATOM 136 O LEU A 9 1.461 9.672 33.098 1.00 0.00 O ATOM 137 CB LEU A 9 0.953 6.492 33.372 1.00 0.00 C ATOM 138 CG LEU A 9 0.263 5.186 32.970 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.855 4.032 33.783 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.233 5.298 33.266 1.00 0.00 C ATOM 0 H LEU A 9 2.613 8.128 31.622 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.250 7.346 31.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.027 6.335 33.471 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.589 6.826 34.344 1.00 0.00 H new ATOM 0 HG LEU A 9 0.415 5.000 31.907 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.367 3.100 33.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.924 3.957 33.583 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.697 4.217 34.846 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.731 4.371 32.982 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.381 5.478 34.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.656 6.126 32.697 1.00 0.00 H new ATOM 152 N GLU A 10 -0.676 9.185 33.465 1.00 0.00 N ATOM 153 CA GLU A 10 -0.917 10.480 34.154 1.00 0.00 C ATOM 154 C GLU A 10 -0.668 10.363 35.652 1.00 0.00 C ATOM 155 O GLU A 10 -0.988 9.363 36.261 1.00 0.00 O ATOM 156 CB GLU A 10 -2.384 10.880 33.928 1.00 0.00 C ATOM 157 CG GLU A 10 -2.676 10.885 32.424 1.00 0.00 C ATOM 158 CD GLU A 10 -4.121 11.331 32.187 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.989 10.515 32.447 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.273 12.464 31.760 1.00 0.00 O ATOM 0 H GLU A 10 -1.485 8.568 33.399 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.234 11.227 33.749 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.047 10.181 34.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.574 11.866 34.351 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.988 11.557 31.911 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.518 9.890 32.009 1.00 0.00 H new ATOM 167 N GLY A 11 -0.098 11.395 36.223 1.00 0.00 N ATOM 168 CA GLY A 11 0.179 11.359 37.683 1.00 0.00 C ATOM 169 C GLY A 11 0.145 12.773 38.239 1.00 0.00 C ATOM 170 O GLY A 11 0.308 13.724 37.500 1.00 0.00 O ATOM 0 H GLY A 11 0.183 12.250 35.743 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.561 10.740 38.189 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.153 10.907 37.868 1.00 0.00 H new ATOM 174 N THR A 12 -0.057 12.891 39.530 1.00 0.00 N ATOM 175 CA THR A 12 -0.101 14.245 40.130 1.00 0.00 C ATOM 176 C THR A 12 1.198 14.552 40.838 1.00 0.00 C ATOM 177 O THR A 12 1.704 13.744 41.580 1.00 0.00 O ATOM 178 CB THR A 12 -1.243 14.285 41.151 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.383 13.826 40.456 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.583 15.733 41.541 1.00 0.00 C ATOM 0 H THR A 12 -0.191 12.116 40.179 1.00 0.00 H new ATOM 0 HA THR A 12 -0.256 14.983 39.343 1.00 0.00 H new ATOM 0 HB THR A 12 -0.967 13.709 42.034 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.038 13.478 41.096 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.396 15.733 42.267 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.705 16.207 41.980 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.889 16.287 40.653 1.00 0.00 H new ATOM 188 N VAL A 13 1.729 15.711 40.590 1.00 0.00 N ATOM 189 CA VAL A 13 3.001 16.067 41.255 1.00 0.00 C ATOM 190 C VAL A 13 2.791 16.259 42.740 1.00 0.00 C ATOM 191 O VAL A 13 1.936 17.015 43.158 1.00 0.00 O ATOM 192 CB VAL A 13 3.524 17.368 40.653 1.00 0.00 C ATOM 193 CG1 VAL A 13 4.899 17.680 41.245 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.654 17.193 39.148 1.00 0.00 C ATOM 0 H VAL A 13 1.342 16.417 39.964 1.00 0.00 H new ATOM 0 HA VAL A 13 3.718 15.260 41.104 1.00 0.00 H new ATOM 0 HB VAL A 13 2.837 18.185 40.876 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.277 18.609 40.818 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.814 17.786 42.326 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.588 16.868 41.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.027 18.116 38.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.350 16.381 38.935 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.678 16.956 38.724 1.00 0.00 H new ATOM 204 N SER A 14 3.580 15.572 43.513 1.00 0.00 N ATOM 205 CA SER A 14 3.452 15.689 44.982 1.00 0.00 C ATOM 206 C SER A 14 4.478 16.663 45.560 1.00 0.00 C ATOM 207 O SER A 14 4.175 17.417 46.463 1.00 0.00 O ATOM 208 CB SER A 14 3.693 14.299 45.591 1.00 0.00 C ATOM 209 OG SER A 14 2.811 14.247 46.703 1.00 0.00 O ATOM 0 H SER A 14 4.307 14.935 43.188 1.00 0.00 H new ATOM 0 HA SER A 14 2.457 16.066 45.220 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.476 13.507 44.874 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.731 14.174 45.900 1.00 0.00 H new ATOM 0 HG SER A 14 3.012 13.455 47.243 1.00 0.00 H new ATOM 215 N GLU A 15 5.672 16.633 45.032 1.00 0.00 N ATOM 216 CA GLU A 15 6.714 17.556 45.553 1.00 0.00 C ATOM 217 C GLU A 15 7.759 17.862 44.486 1.00 0.00 C ATOM 218 O GLU A 15 8.095 17.015 43.681 1.00 0.00 O ATOM 219 CB GLU A 15 7.409 16.875 46.746 1.00 0.00 C ATOM 220 CG GLU A 15 7.963 17.946 47.687 1.00 0.00 C ATOM 221 CD GLU A 15 8.729 17.270 48.828 1.00 0.00 C ATOM 222 OE1 GLU A 15 9.203 16.172 48.585 1.00 0.00 O ATOM 223 OE2 GLU A 15 8.798 17.889 49.877 1.00 0.00 O ATOM 0 H GLU A 15 5.966 16.018 44.273 1.00 0.00 H new ATOM 0 HA GLU A 15 6.241 18.492 45.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.703 16.238 47.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.215 16.232 46.393 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.622 18.621 47.141 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.149 18.550 48.088 1.00 0.00 H new ATOM 230 N ALA A 16 8.257 19.075 44.506 1.00 0.00 N ATOM 231 CA ALA A 16 9.283 19.467 43.504 1.00 0.00 C ATOM 232 C ALA A 16 10.683 19.399 44.108 1.00 0.00 C ATOM 233 O ALA A 16 11.030 20.199 44.953 1.00 0.00 O ATOM 234 CB ALA A 16 9.004 20.915 43.070 1.00 0.00 C ATOM 0 H ALA A 16 7.996 19.803 45.171 1.00 0.00 H new ATOM 0 HA ALA A 16 9.234 18.784 42.656 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.746 21.224 42.334 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.009 20.978 42.630 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.059 21.572 43.938 1.00 0.00 H new ATOM 240 N LEU A 17 11.467 18.445 43.656 1.00 0.00 N ATOM 241 CA LEU A 17 12.848 18.313 44.196 1.00 0.00 C ATOM 242 C LEU A 17 13.879 18.934 43.240 1.00 0.00 C ATOM 243 O LEU A 17 13.716 18.883 42.037 1.00 0.00 O ATOM 244 CB LEU A 17 13.168 16.826 44.346 1.00 0.00 C ATOM 245 CG LEU A 17 11.911 16.101 44.789 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.195 14.607 44.858 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.502 16.604 46.170 1.00 0.00 C ATOM 0 H LEU A 17 11.208 17.762 42.944 1.00 0.00 H new ATOM 0 HA LEU A 17 12.899 18.832 45.153 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.526 16.419 43.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.964 16.682 45.076 1.00 0.00 H new ATOM 0 HG LEU A 17 11.106 16.288 44.079 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.295 14.080 45.176 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.497 14.248 43.874 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.996 14.422 45.574 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.599 16.086 46.493 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.305 16.410 46.881 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.309 17.676 46.124 1.00 0.00 H new ATOM 259 N PRO A 18 14.931 19.515 43.797 1.00 0.00 N ATOM 260 CA PRO A 18 15.973 20.136 42.983 1.00 0.00 C ATOM 261 C PRO A 18 16.658 19.117 42.083 1.00 0.00 C ATOM 262 O PRO A 18 16.424 17.929 42.187 1.00 0.00 O ATOM 263 CB PRO A 18 16.996 20.687 43.999 1.00 0.00 C ATOM 264 CG PRO A 18 16.509 20.274 45.420 1.00 0.00 C ATOM 265 CD PRO A 18 15.137 19.600 45.251 1.00 0.00 C ATOM 0 HA PRO A 18 15.557 20.905 42.332 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.989 20.284 43.801 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.071 21.771 43.919 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.219 19.591 45.887 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.432 21.146 46.069 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.124 18.611 45.710 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.349 20.183 45.728 1.00 0.00 H new ATOM 273 N ASN A 19 17.493 19.612 41.214 1.00 0.00 N ATOM 274 CA ASN A 19 18.218 18.715 40.288 1.00 0.00 C ATOM 275 C ASN A 19 17.318 18.219 39.160 1.00 0.00 C ATOM 276 O ASN A 19 17.665 17.289 38.460 1.00 0.00 O ATOM 277 CB ASN A 19 18.736 17.506 41.078 1.00 0.00 C ATOM 278 CG ASN A 19 20.134 17.144 40.577 1.00 0.00 C ATOM 279 OD1 ASN A 19 21.101 17.188 41.312 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.285 16.785 39.332 1.00 0.00 N ATOM 0 H ASN A 19 17.702 20.605 41.109 1.00 0.00 H new ATOM 0 HA ASN A 19 19.040 19.276 39.843 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.766 17.737 42.143 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.061 16.659 40.955 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.211 16.543 38.980 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.477 16.746 38.711 1.00 0.00 H new ATOM 287 N ALA A 20 16.178 18.844 39.003 1.00 0.00 N ATOM 288 CA ALA A 20 15.256 18.410 37.920 1.00 0.00 C ATOM 289 C ALA A 20 14.595 17.065 38.264 1.00 0.00 C ATOM 290 O ALA A 20 14.581 16.149 37.462 1.00 0.00 O ATOM 291 CB ALA A 20 16.093 18.261 36.628 1.00 0.00 C ATOM 0 H ALA A 20 15.852 19.626 39.572 1.00 0.00 H new ATOM 0 HA ALA A 20 14.463 19.147 37.793 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.446 17.943 35.810 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.550 19.219 36.378 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.874 17.516 36.784 1.00 0.00 H new ATOM 297 N MET A 21 14.043 16.981 39.452 1.00 0.00 N ATOM 298 CA MET A 21 13.384 15.727 39.873 1.00 0.00 C ATOM 299 C MET A 21 12.160 16.039 40.727 1.00 0.00 C ATOM 300 O MET A 21 12.185 16.946 41.532 1.00 0.00 O ATOM 301 CB MET A 21 14.379 14.911 40.728 1.00 0.00 C ATOM 302 CG MET A 21 15.783 14.992 40.112 1.00 0.00 C ATOM 303 SD MET A 21 17.155 14.283 41.061 1.00 0.00 S ATOM 304 CE MET A 21 16.328 12.758 41.579 1.00 0.00 C ATOM 0 H MET A 21 14.026 17.733 40.141 1.00 0.00 H new ATOM 0 HA MET A 21 13.078 15.167 38.989 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.397 15.295 41.748 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.056 13.871 40.785 1.00 0.00 H new ATOM 0 HG2 MET A 21 15.754 14.496 39.142 1.00 0.00 H new ATOM 0 HG3 MET A 21 16.009 16.042 39.927 1.00 0.00 H new ATOM 0 HE1 MET A 21 16.211 12.758 42.663 1.00 0.00 H new ATOM 0 HE2 MET A 21 15.347 12.698 41.108 1.00 0.00 H new ATOM 0 HE3 MET A 21 16.928 11.899 41.279 1.00 0.00 H new ATOM 314 N PHE A 22 11.109 15.286 40.527 1.00 0.00 N ATOM 315 CA PHE A 22 9.871 15.522 41.321 1.00 0.00 C ATOM 316 C PHE A 22 9.293 14.234 41.880 1.00 0.00 C ATOM 317 O PHE A 22 9.657 13.144 41.479 1.00 0.00 O ATOM 318 CB PHE A 22 8.769 16.107 40.424 1.00 0.00 C ATOM 319 CG PHE A 22 9.317 17.082 39.396 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.018 16.902 38.059 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.992 18.222 39.786 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.371 17.850 37.131 1.00 0.00 C ATOM 323 CE2 PHE A 22 10.345 19.174 38.853 1.00 0.00 C ATOM 324 CZ PHE A 22 10.032 18.986 37.525 1.00 0.00 C ATOM 0 H PHE A 22 11.056 14.523 39.852 1.00 0.00 H new ATOM 0 HA PHE A 22 10.158 16.196 42.128 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.252 15.295 39.912 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.030 16.614 41.044 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.502 16.008 37.741 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.244 18.368 40.826 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.128 17.701 36.089 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.867 20.067 39.164 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.307 19.732 36.794 1.00 0.00 H new ATOM 334 N LYS A 23 8.390 14.407 42.807 1.00 0.00 N ATOM 335 CA LYS A 23 7.725 13.253 43.449 1.00 0.00 C ATOM 336 C LYS A 23 6.263 13.283 43.021 1.00 0.00 C ATOM 337 O LYS A 23 5.535 14.166 43.414 1.00 0.00 O ATOM 338 CB LYS A 23 7.823 13.425 44.975 1.00 0.00 C ATOM 339 CG LYS A 23 7.222 12.203 45.664 1.00 0.00 C ATOM 340 CD LYS A 23 7.565 12.252 47.155 1.00 0.00 C ATOM 341 CE LYS A 23 6.985 11.018 47.844 1.00 0.00 C ATOM 342 NZ LYS A 23 7.021 11.182 49.325 1.00 0.00 N ATOM 0 H LYS A 23 8.084 15.319 43.148 1.00 0.00 H new ATOM 0 HA LYS A 23 8.187 12.308 43.162 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.865 13.548 45.272 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.295 14.327 45.285 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.141 12.187 45.527 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.613 11.289 45.218 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.646 12.285 47.291 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.159 13.159 47.604 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.958 10.859 47.515 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.553 10.133 47.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.623 10.335 49.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.005 11.311 49.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.460 12.015 49.596 1.00 0.00 H new ATOM 356 N VAL A 24 5.852 12.316 42.227 1.00 0.00 N ATOM 357 CA VAL A 24 4.431 12.298 41.765 1.00 0.00 C ATOM 358 C VAL A 24 3.614 11.215 42.429 1.00 0.00 C ATOM 359 O VAL A 24 4.134 10.197 42.830 1.00 0.00 O ATOM 360 CB VAL A 24 4.447 12.033 40.256 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.050 12.243 39.673 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.407 13.012 39.596 1.00 0.00 C ATOM 0 H VAL A 24 6.434 11.551 41.886 1.00 0.00 H new ATOM 0 HA VAL A 24 3.973 13.253 42.022 1.00 0.00 H new ATOM 0 HB VAL A 24 4.763 11.006 40.073 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.071 12.052 38.600 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.350 11.557 40.150 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.731 13.270 39.853 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.427 12.833 38.521 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.075 14.032 39.788 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.407 12.873 40.006 1.00 0.00 H new ATOM 372 N LYS A 25 2.331 11.475 42.533 1.00 0.00 N ATOM 373 CA LYS A 25 1.414 10.487 43.165 1.00 0.00 C ATOM 374 C LYS A 25 0.245 10.174 42.241 1.00 0.00 C ATOM 375 O LYS A 25 -0.538 11.038 41.905 1.00 0.00 O ATOM 376 CB LYS A 25 0.869 11.054 44.487 1.00 0.00 C ATOM 377 CG LYS A 25 0.385 12.480 44.283 1.00 0.00 C ATOM 378 CD LYS A 25 0.186 13.139 45.650 1.00 0.00 C ATOM 379 CE LYS A 25 -1.116 12.627 46.269 1.00 0.00 C ATOM 380 NZ LYS A 25 -0.912 11.283 46.877 1.00 0.00 N ATOM 0 H LYS A 25 1.884 12.331 42.205 1.00 0.00 H new ATOM 0 HA LYS A 25 1.974 9.572 43.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.050 10.432 44.848 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.647 11.031 45.250 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.110 13.043 43.696 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.550 12.484 43.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.028 12.911 46.303 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.150 14.223 45.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.464 13.327 47.028 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.892 12.573 45.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.368 10.561 46.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.106 11.083 46.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.331 11.265 47.828 1.00 0.00 H new ATOM 394 N LEU A 26 0.157 8.942 41.837 1.00 0.00 N ATOM 395 CA LEU A 26 -0.941 8.551 40.943 1.00 0.00 C ATOM 396 C LEU A 26 -2.240 8.403 41.715 1.00 0.00 C ATOM 397 O LEU A 26 -2.265 7.842 42.789 1.00 0.00 O ATOM 398 CB LEU A 26 -0.580 7.202 40.313 1.00 0.00 C ATOM 399 CG LEU A 26 0.669 7.380 39.451 1.00 0.00 C ATOM 400 CD1 LEU A 26 1.877 6.788 40.177 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.471 6.648 38.125 1.00 0.00 C ATOM 0 H LEU A 26 0.802 8.194 42.092 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.079 9.319 40.182 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.400 6.459 41.090 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.408 6.835 39.707 1.00 0.00 H new ATOM 0 HG LEU A 26 0.838 8.441 39.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.769 6.914 39.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.016 7.300 41.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.709 5.726 40.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.359 6.771 37.505 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.306 5.588 38.316 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.394 7.062 37.606 1.00 0.00 H new ATOM 413 N GLU A 27 -3.297 8.913 41.156 1.00 0.00 N ATOM 414 CA GLU A 27 -4.604 8.810 41.846 1.00 0.00 C ATOM 415 C GLU A 27 -4.822 7.398 42.371 1.00 0.00 C ATOM 416 O GLU A 27 -5.640 7.176 43.242 1.00 0.00 O ATOM 417 CB GLU A 27 -5.716 9.142 40.838 1.00 0.00 C ATOM 418 CG GLU A 27 -6.757 10.034 41.518 1.00 0.00 C ATOM 419 CD GLU A 27 -8.034 10.058 40.675 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.886 10.198 39.473 1.00 0.00 O ATOM 421 OE2 GLU A 27 -9.085 9.937 41.282 1.00 0.00 O ATOM 0 H GLU A 27 -3.312 9.394 40.256 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.621 9.505 42.686 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.297 9.649 39.969 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.183 8.225 40.478 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.975 9.660 42.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.366 11.045 41.634 1.00 0.00 H new ATOM 428 N ASN A 28 -4.085 6.467 41.830 1.00 0.00 N ATOM 429 CA ASN A 28 -4.234 5.063 42.284 1.00 0.00 C ATOM 430 C ASN A 28 -3.708 4.893 43.706 1.00 0.00 C ATOM 431 O ASN A 28 -3.995 3.911 44.361 1.00 0.00 O ATOM 432 CB ASN A 28 -3.425 4.162 41.339 1.00 0.00 C ATOM 433 CG ASN A 28 -4.264 3.850 40.098 1.00 0.00 C ATOM 434 OD1 ASN A 28 -5.241 4.512 39.813 1.00 0.00 O ATOM 435 ND2 ASN A 28 -3.919 2.849 39.334 1.00 0.00 N ATOM 0 H ASN A 28 -3.391 6.620 41.098 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.290 4.793 42.272 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.498 4.657 41.050 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.148 3.238 41.847 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.469 2.628 38.504 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.099 2.288 39.567 1.00 0.00 H new ATOM 442 N GLY A 29 -2.946 5.862 44.154 1.00 0.00 N ATOM 443 CA GLY A 29 -2.381 5.790 45.537 1.00 0.00 C ATOM 444 C GLY A 29 -0.868 5.537 45.501 1.00 0.00 C ATOM 445 O GLY A 29 -0.194 5.672 46.502 1.00 0.00 O ATOM 0 H GLY A 29 -2.692 6.696 43.624 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.585 6.721 46.066 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.873 4.993 46.094 1.00 0.00 H new ATOM 449 N HIS A 30 -0.363 5.176 44.350 1.00 0.00 N ATOM 450 CA HIS A 30 1.098 4.916 44.251 1.00 0.00 C ATOM 451 C HIS A 30 1.880 6.203 44.025 1.00 0.00 C ATOM 452 O HIS A 30 1.320 7.217 43.658 1.00 0.00 O ATOM 453 CB HIS A 30 1.332 3.983 43.061 1.00 0.00 C ATOM 454 CG HIS A 30 0.377 2.805 43.175 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.701 2.699 42.561 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.474 1.669 43.952 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.302 1.628 42.861 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.626 0.896 43.747 1.00 0.00 N ATOM 0 H HIS A 30 -0.893 5.052 43.487 1.00 0.00 H new ATOM 0 HA HIS A 30 1.441 4.470 45.185 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.166 4.515 42.124 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.364 3.634 43.051 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.292 1.432 44.616 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.256 1.338 42.446 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.869 -0.004 44.161 1.00 0.00 H new ATOM 466 N GLU A 31 3.172 6.128 44.253 1.00 0.00 N ATOM 467 CA GLU A 31 4.032 7.318 44.064 1.00 0.00 C ATOM 468 C GLU A 31 5.255 6.954 43.247 1.00 0.00 C ATOM 469 O GLU A 31 5.787 5.869 43.384 1.00 0.00 O ATOM 470 CB GLU A 31 4.483 7.820 45.442 1.00 0.00 C ATOM 471 CG GLU A 31 5.124 6.664 46.212 1.00 0.00 C ATOM 472 CD GLU A 31 5.388 7.102 47.654 1.00 0.00 C ATOM 473 OE1 GLU A 31 6.515 7.500 47.898 1.00 0.00 O ATOM 474 OE2 GLU A 31 4.449 7.015 48.428 1.00 0.00 O ATOM 0 H GLU A 31 3.659 5.287 44.562 1.00 0.00 H new ATOM 0 HA GLU A 31 3.471 8.091 43.539 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.195 8.637 45.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.631 8.214 45.996 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.467 5.794 46.198 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.057 6.366 45.734 1.00 0.00 H new ATOM 481 N ILE A 32 5.700 7.870 42.416 1.00 0.00 N ATOM 482 CA ILE A 32 6.891 7.569 41.587 1.00 0.00 C ATOM 483 C ILE A 32 7.745 8.805 41.367 1.00 0.00 C ATOM 484 O ILE A 32 7.243 9.911 41.315 1.00 0.00 O ATOM 485 CB ILE A 32 6.411 7.071 40.239 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.834 5.667 40.370 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.606 7.024 39.281 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.155 5.282 39.057 1.00 0.00 C ATOM 0 H ILE A 32 5.291 8.795 42.284 1.00 0.00 H new ATOM 0 HA ILE A 32 7.496 6.823 42.102 1.00 0.00 H new ATOM 0 HB ILE A 32 5.639 7.742 39.862 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.625 4.956 40.607 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.116 5.630 41.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.276 6.667 38.305 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.029 8.023 39.178 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.364 6.348 39.677 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.739 4.278 39.143 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.354 5.989 38.841 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.886 5.304 38.249 1.00 0.00 H new ATOM 500 N LEU A 33 9.028 8.596 41.239 1.00 0.00 N ATOM 501 CA LEU A 33 9.925 9.739 41.020 1.00 0.00 C ATOM 502 C LEU A 33 9.965 10.064 39.538 1.00 0.00 C ATOM 503 O LEU A 33 10.256 9.200 38.732 1.00 0.00 O ATOM 504 CB LEU A 33 11.337 9.352 41.495 1.00 0.00 C ATOM 505 CG LEU A 33 11.408 9.480 43.022 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.184 8.805 43.644 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.675 8.788 43.532 1.00 0.00 C ATOM 0 H LEU A 33 9.481 7.683 41.278 1.00 0.00 H new ATOM 0 HA LEU A 33 9.570 10.608 41.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.568 8.331 41.193 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.080 9.999 41.029 1.00 0.00 H new ATOM 0 HG LEU A 33 11.428 10.534 43.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.232 8.894 44.729 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.278 9.288 43.280 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.170 7.751 43.367 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.727 8.878 44.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.650 7.734 43.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.551 9.259 43.086 1.00 0.00 H new ATOM 519 N CYS A 34 9.671 11.300 39.201 1.00 0.00 N ATOM 520 CA CYS A 34 9.684 11.692 37.765 1.00 0.00 C ATOM 521 C CYS A 34 10.742 12.741 37.488 1.00 0.00 C ATOM 522 O CYS A 34 10.870 13.707 38.215 1.00 0.00 O ATOM 523 CB CYS A 34 8.310 12.282 37.416 1.00 0.00 C ATOM 524 SG CYS A 34 6.859 11.258 37.759 1.00 0.00 S ATOM 0 H CYS A 34 9.426 12.043 39.855 1.00 0.00 H new ATOM 0 HA CYS A 34 9.907 10.810 37.164 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.197 13.220 37.959 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.307 12.527 36.354 1.00 0.00 H new ATOM 0 HG CYS A 34 6.809 10.987 39.030 1.00 0.00 H new ATOM 530 N HIS A 35 11.482 12.534 36.431 1.00 0.00 N ATOM 531 CA HIS A 35 12.539 13.503 36.079 1.00 0.00 C ATOM 532 C HIS A 35 12.044 14.464 35.013 1.00 0.00 C ATOM 533 O HIS A 35 10.963 14.301 34.480 1.00 0.00 O ATOM 534 CB HIS A 35 13.746 12.726 35.533 1.00 0.00 C ATOM 535 CG HIS A 35 14.564 12.180 36.704 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.689 11.651 36.605 1.00 0.00 N ATOM 537 CD2 HIS A 35 14.261 12.151 38.052 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.134 11.289 37.735 1.00 0.00 C ATOM 539 NE2 HIS A 35 15.289 11.570 38.728 1.00 0.00 N ATOM 0 H HIS A 35 11.394 11.735 35.803 1.00 0.00 H new ATOM 0 HA HIS A 35 12.816 14.075 36.965 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.409 11.908 34.896 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.364 13.377 34.915 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.189 11.525 35.725 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.353 12.529 38.498 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.090 10.807 37.878 1.00 0.00 H new ATOM 547 N ILE A 36 12.848 15.443 34.720 1.00 0.00 N ATOM 548 CA ILE A 36 12.460 16.436 33.698 1.00 0.00 C ATOM 549 C ILE A 36 13.131 16.160 32.357 1.00 0.00 C ATOM 550 O ILE A 36 14.245 15.682 32.299 1.00 0.00 O ATOM 551 CB ILE A 36 12.915 17.798 34.201 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.879 18.366 35.158 1.00 0.00 C ATOM 553 CG2 ILE A 36 13.059 18.758 33.009 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.525 19.493 35.986 1.00 0.00 C ATOM 0 H ILE A 36 13.761 15.595 35.149 1.00 0.00 H new ATOM 0 HA ILE A 36 11.382 16.391 33.544 1.00 0.00 H new ATOM 0 HB ILE A 36 13.870 17.687 34.714 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.024 18.750 34.602 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.505 17.582 35.817 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.385 19.735 33.366 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.796 18.362 32.310 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.098 18.858 32.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.789 19.906 36.675 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.367 19.093 36.551 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.878 20.279 35.318 1.00 0.00 H new ATOM 566 N SER A 37 12.431 16.478 31.302 1.00 0.00 N ATOM 567 CA SER A 37 12.989 16.255 29.954 1.00 0.00 C ATOM 568 C SER A 37 13.661 17.526 29.449 1.00 0.00 C ATOM 569 O SER A 37 13.412 18.591 29.958 1.00 0.00 O ATOM 570 CB SER A 37 11.837 15.895 29.007 1.00 0.00 C ATOM 571 OG SER A 37 12.442 15.081 28.015 1.00 0.00 O ATOM 0 H SER A 37 11.495 16.883 31.324 1.00 0.00 H new ATOM 0 HA SER A 37 13.725 15.452 29.992 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.044 15.361 29.530 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.387 16.787 28.570 1.00 0.00 H new ATOM 0 HG SER A 37 11.765 14.803 27.363 1.00 0.00 H new ATOM 577 N GLY A 38 14.504 17.391 28.466 1.00 0.00 N ATOM 578 CA GLY A 38 15.197 18.602 27.925 1.00 0.00 C ATOM 579 C GLY A 38 14.298 19.365 26.937 1.00 0.00 C ATOM 580 O GLY A 38 14.337 20.581 26.864 1.00 0.00 O ATOM 0 H GLY A 38 14.744 16.508 28.015 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.478 19.260 28.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.119 18.304 27.426 1.00 0.00 H new ATOM 584 N LYS A 39 13.509 18.645 26.199 1.00 0.00 N ATOM 585 CA LYS A 39 12.620 19.319 25.225 1.00 0.00 C ATOM 586 C LYS A 39 11.580 20.192 25.910 1.00 0.00 C ATOM 587 O LYS A 39 11.451 21.363 25.600 1.00 0.00 O ATOM 588 CB LYS A 39 11.906 18.244 24.392 1.00 0.00 C ATOM 589 CG LYS A 39 12.702 17.995 23.109 1.00 0.00 C ATOM 590 CD LYS A 39 12.215 18.954 22.023 1.00 0.00 C ATOM 591 CE LYS A 39 13.141 18.851 20.810 1.00 0.00 C ATOM 592 NZ LYS A 39 13.290 17.430 20.388 1.00 0.00 N ATOM 0 H LYS A 39 13.441 17.628 26.228 1.00 0.00 H new ATOM 0 HA LYS A 39 13.231 19.966 24.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.818 17.321 24.965 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.893 18.567 24.150 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.766 18.144 23.292 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.576 16.963 22.783 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.192 18.709 21.737 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.204 19.976 22.402 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.739 19.441 19.987 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.118 19.269 21.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.638 17.393 19.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.968 16.951 21.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.368 16.952 20.446 1.00 0.00 H new ATOM 606 N LEU A 40 10.854 19.627 26.826 1.00 0.00 N ATOM 607 CA LEU A 40 9.833 20.439 27.513 1.00 0.00 C ATOM 608 C LEU A 40 10.447 21.720 28.054 1.00 0.00 C ATOM 609 O LEU A 40 9.752 22.693 28.273 1.00 0.00 O ATOM 610 CB LEU A 40 9.219 19.605 28.658 1.00 0.00 C ATOM 611 CG LEU A 40 9.952 19.899 29.966 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.324 21.126 30.648 1.00 0.00 C ATOM 613 CD2 LEU A 40 9.822 18.690 30.890 1.00 0.00 C ATOM 0 H LEU A 40 10.924 18.654 27.123 1.00 0.00 H new ATOM 0 HA LEU A 40 9.051 20.717 26.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.160 19.840 28.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.288 18.543 28.423 1.00 0.00 H new ATOM 0 HG LEU A 40 11.003 20.100 29.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.849 21.333 31.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.403 21.990 29.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.274 20.927 30.860 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.342 18.890 31.827 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.768 18.499 31.094 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.263 17.816 30.410 1.00 0.00 H new ATOM 625 N ARG A 41 11.744 21.716 28.254 1.00 0.00 N ATOM 626 CA ARG A 41 12.369 22.946 28.775 1.00 0.00 C ATOM 627 C ARG A 41 12.389 23.951 27.668 1.00 0.00 C ATOM 628 O ARG A 41 12.114 25.116 27.869 1.00 0.00 O ATOM 629 CB ARG A 41 13.809 22.659 29.223 1.00 0.00 C ATOM 630 CG ARG A 41 13.786 21.555 30.267 1.00 0.00 C ATOM 631 CD ARG A 41 13.539 22.158 31.656 1.00 0.00 C ATOM 632 NE ARG A 41 12.992 23.537 31.516 1.00 0.00 N ATOM 633 CZ ARG A 41 12.568 24.162 32.581 1.00 0.00 C ATOM 634 NH1 ARG A 41 12.281 23.463 33.647 1.00 0.00 N ATOM 635 NH2 ARG A 41 12.448 25.460 32.547 1.00 0.00 N ATOM 0 H ARG A 41 12.372 20.931 28.081 1.00 0.00 H new ATOM 0 HA ARG A 41 11.806 23.318 29.631 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.417 22.359 28.370 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.262 23.560 29.636 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.004 20.834 30.029 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.732 21.014 30.258 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.841 21.535 32.215 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.469 22.182 32.223 1.00 0.00 H new ATOM 0 HE ARG A 41 12.949 23.986 30.601 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.390 22.449 33.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.948 23.931 34.490 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.684 25.972 31.697 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.118 25.963 33.370 1.00 0.00 H new ATOM 649 N MET A 42 12.721 23.481 26.496 1.00 0.00 N ATOM 650 CA MET A 42 12.761 24.395 25.354 1.00 0.00 C ATOM 651 C MET A 42 11.420 25.099 25.257 1.00 0.00 C ATOM 652 O MET A 42 11.331 26.219 24.794 1.00 0.00 O ATOM 653 CB MET A 42 12.995 23.574 24.076 1.00 0.00 C ATOM 654 CG MET A 42 13.183 24.524 22.893 1.00 0.00 C ATOM 655 SD MET A 42 14.371 25.873 23.092 1.00 0.00 S ATOM 656 CE MET A 42 15.873 24.864 23.038 1.00 0.00 C ATOM 0 H MET A 42 12.962 22.510 26.295 1.00 0.00 H new ATOM 0 HA MET A 42 13.560 25.127 25.475 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.875 22.941 24.192 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.148 22.912 23.895 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.487 23.932 22.030 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.213 24.961 22.654 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.747 25.507 23.145 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.854 24.139 23.852 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.924 24.338 22.085 1.00 0.00 H new ATOM 666 N ASN A 43 10.385 24.415 25.707 1.00 0.00 N ATOM 667 CA ASN A 43 9.032 25.021 25.658 1.00 0.00 C ATOM 668 C ASN A 43 8.716 25.725 26.977 1.00 0.00 C ATOM 669 O ASN A 43 7.634 26.240 27.165 1.00 0.00 O ATOM 670 CB ASN A 43 8.005 23.897 25.444 1.00 0.00 C ATOM 671 CG ASN A 43 8.101 23.391 24.004 1.00 0.00 C ATOM 672 OD1 ASN A 43 7.537 23.964 23.093 1.00 0.00 O ATOM 673 ND2 ASN A 43 8.804 22.322 23.756 1.00 0.00 N ATOM 0 H ASN A 43 10.430 23.475 26.100 1.00 0.00 H new ATOM 0 HA ASN A 43 8.992 25.748 24.847 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.192 23.081 26.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.999 24.265 25.646 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.878 21.971 22.801 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.280 21.837 24.517 1.00 0.00 H new ATOM 680 N PHE A 44 9.680 25.724 27.867 1.00 0.00 N ATOM 681 CA PHE A 44 9.487 26.383 29.193 1.00 0.00 C ATOM 682 C PHE A 44 8.094 26.120 29.766 1.00 0.00 C ATOM 683 O PHE A 44 7.173 26.884 29.542 1.00 0.00 O ATOM 684 CB PHE A 44 9.673 27.902 29.022 1.00 0.00 C ATOM 685 CG PHE A 44 9.050 28.350 27.700 1.00 0.00 C ATOM 686 CD1 PHE A 44 7.793 28.931 27.678 1.00 0.00 C ATOM 687 CD2 PHE A 44 9.733 28.183 26.508 1.00 0.00 C ATOM 688 CE1 PHE A 44 7.232 29.338 26.485 1.00 0.00 C ATOM 689 CE2 PHE A 44 9.168 28.590 25.317 1.00 0.00 C ATOM 690 CZ PHE A 44 7.919 29.167 25.306 1.00 0.00 C ATOM 0 H PHE A 44 10.594 25.293 27.729 1.00 0.00 H new ATOM 0 HA PHE A 44 10.220 25.969 29.885 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.207 28.431 29.853 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.734 28.153 29.039 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.248 29.066 28.601 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.714 27.731 26.510 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.252 29.792 26.477 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.707 28.455 24.391 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.479 29.485 24.373 1.00 0.00 H new ATOM 700 N ILE A 45 7.978 25.042 30.514 1.00 0.00 N ATOM 701 CA ILE A 45 6.671 24.690 31.123 1.00 0.00 C ATOM 702 C ILE A 45 6.781 24.652 32.643 1.00 0.00 C ATOM 703 O ILE A 45 7.294 23.705 33.208 1.00 0.00 O ATOM 704 CB ILE A 45 6.261 23.301 30.630 1.00 0.00 C ATOM 705 CG1 ILE A 45 6.320 23.254 29.109 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.814 23.030 31.077 1.00 0.00 C ATOM 707 CD1 ILE A 45 5.063 23.908 28.531 1.00 0.00 C ATOM 0 H ILE A 45 8.740 24.397 30.723 1.00 0.00 H new ATOM 0 HA ILE A 45 5.933 25.440 30.838 1.00 0.00 H new ATOM 0 HB ILE A 45 6.938 22.553 31.042 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.210 23.773 28.752 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.395 22.221 28.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.506 22.043 30.733 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.756 23.070 32.165 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.154 23.785 30.650 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.104 23.875 27.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.181 23.370 28.878 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.008 24.945 28.861 1.00 0.00 H new ATOM 719 N ARG A 46 6.298 25.686 33.279 1.00 0.00 N ATOM 720 CA ARG A 46 6.366 25.727 34.758 1.00 0.00 C ATOM 721 C ARG A 46 5.416 24.708 35.380 1.00 0.00 C ATOM 722 O ARG A 46 4.212 24.809 35.231 1.00 0.00 O ATOM 723 CB ARG A 46 5.955 27.135 35.225 1.00 0.00 C ATOM 724 CG ARG A 46 7.067 28.129 34.878 1.00 0.00 C ATOM 725 CD ARG A 46 6.638 29.536 35.308 1.00 0.00 C ATOM 726 NE ARG A 46 5.398 29.911 34.569 1.00 0.00 N ATOM 727 CZ ARG A 46 5.136 31.172 34.352 1.00 0.00 C ATOM 728 NH1 ARG A 46 6.120 31.983 34.074 1.00 0.00 N ATOM 729 NH2 ARG A 46 3.899 31.581 34.421 1.00 0.00 N ATOM 0 H ARG A 46 5.863 26.496 32.837 1.00 0.00 H new ATOM 0 HA ARG A 46 7.383 25.489 35.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.023 27.432 34.744 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.774 27.135 36.300 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.992 27.848 35.381 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.268 28.109 33.807 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.459 29.563 36.383 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.432 30.252 35.099 1.00 0.00 H new ATOM 0 HE ARG A 46 4.760 29.189 34.236 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.076 31.629 34.029 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.934 32.971 33.902 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.155 30.919 34.642 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.676 32.562 34.254 1.00 0.00 H new ATOM 743 N ILE A 47 5.982 23.744 36.067 1.00 0.00 N ATOM 744 CA ILE A 47 5.142 22.696 36.716 1.00 0.00 C ATOM 745 C ILE A 47 5.139 22.873 38.230 1.00 0.00 C ATOM 746 O ILE A 47 6.140 22.648 38.883 1.00 0.00 O ATOM 747 CB ILE A 47 5.742 21.328 36.386 1.00 0.00 C ATOM 748 CG1 ILE A 47 5.326 20.906 34.981 1.00 0.00 C ATOM 749 CG2 ILE A 47 5.200 20.296 37.394 1.00 0.00 C ATOM 750 CD1 ILE A 47 6.552 20.381 34.228 1.00 0.00 C ATOM 0 H ILE A 47 6.987 23.640 36.204 1.00 0.00 H new ATOM 0 HA ILE A 47 4.119 22.777 36.349 1.00 0.00 H new ATOM 0 HB ILE A 47 6.829 21.384 36.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.558 20.134 35.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.892 21.752 34.448 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.619 19.315 37.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.483 20.591 38.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.113 20.251 37.320 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.259 20.078 33.223 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.305 21.167 34.165 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.966 19.524 34.759 1.00 0.00 H new ATOM 762 N LEU A 48 4.012 23.275 38.764 1.00 0.00 N ATOM 763 CA LEU A 48 3.928 23.473 40.237 1.00 0.00 C ATOM 764 C LEU A 48 3.324 22.251 40.920 1.00 0.00 C ATOM 765 O LEU A 48 2.343 21.701 40.461 1.00 0.00 O ATOM 766 CB LEU A 48 3.020 24.682 40.513 1.00 0.00 C ATOM 767 CG LEU A 48 3.550 25.894 39.750 1.00 0.00 C ATOM 768 CD1 LEU A 48 2.371 26.759 39.296 1.00 0.00 C ATOM 769 CD2 LEU A 48 4.452 26.717 40.673 1.00 0.00 C ATOM 0 H LEU A 48 3.156 23.472 38.246 1.00 0.00 H new ATOM 0 HA LEU A 48 4.933 23.633 40.628 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.998 24.462 40.205 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.992 24.894 41.582 1.00 0.00 H new ATOM 0 HG LEU A 48 4.119 25.561 38.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.744 27.626 38.751 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.720 26.174 38.646 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.808 27.093 40.168 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.833 27.583 40.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.879 27.052 41.538 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.288 26.102 41.008 1.00 0.00 H new ATOM 781 N GLU A 49 3.924 21.847 42.006 1.00 0.00 N ATOM 782 CA GLU A 49 3.405 20.675 42.729 1.00 0.00 C ATOM 783 C GLU A 49 1.897 20.761 42.891 1.00 0.00 C ATOM 784 O GLU A 49 1.334 21.837 42.929 1.00 0.00 O ATOM 785 CB GLU A 49 4.051 20.632 44.123 1.00 0.00 C ATOM 786 CG GLU A 49 4.045 22.040 44.722 1.00 0.00 C ATOM 787 CD GLU A 49 5.345 22.756 44.350 1.00 0.00 C ATOM 788 OE1 GLU A 49 5.229 23.823 43.770 1.00 0.00 O ATOM 789 OE2 GLU A 49 6.383 22.197 44.668 1.00 0.00 O ATOM 0 H GLU A 49 4.750 22.284 42.416 1.00 0.00 H new ATOM 0 HA GLU A 49 3.644 19.777 42.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.504 19.946 44.770 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.072 20.258 44.053 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.188 22.602 44.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.944 21.986 45.806 1.00 0.00 H new ATOM 796 N GLY A 50 1.269 19.624 42.984 1.00 0.00 N ATOM 797 CA GLY A 50 -0.209 19.622 43.145 1.00 0.00 C ATOM 798 C GLY A 50 -0.887 19.607 41.777 1.00 0.00 C ATOM 799 O GLY A 50 -2.068 19.341 41.671 1.00 0.00 O ATOM 0 H GLY A 50 1.710 18.705 42.956 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.518 18.751 43.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.523 20.503 43.705 1.00 0.00 H new ATOM 803 N ASP A 51 -0.125 19.895 40.754 1.00 0.00 N ATOM 804 CA ASP A 51 -0.709 19.902 39.395 1.00 0.00 C ATOM 805 C ASP A 51 -0.555 18.541 38.735 1.00 0.00 C ATOM 806 O ASP A 51 0.315 17.772 39.089 1.00 0.00 O ATOM 807 CB ASP A 51 0.029 20.946 38.548 1.00 0.00 C ATOM 808 CG ASP A 51 -0.905 21.445 37.441 1.00 0.00 C ATOM 809 OD1 ASP A 51 -2.040 21.738 37.783 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.432 21.503 36.319 1.00 0.00 O ATOM 0 H ASP A 51 0.868 20.123 40.807 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.770 20.140 39.468 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.349 21.779 39.173 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.928 20.510 38.113 1.00 0.00 H new ATOM 815 N LYS A 52 -1.405 18.265 37.786 1.00 0.00 N ATOM 816 CA LYS A 52 -1.322 16.977 37.103 1.00 0.00 C ATOM 817 C LYS A 52 -0.357 17.023 35.956 1.00 0.00 C ATOM 818 O LYS A 52 -0.242 18.014 35.263 1.00 0.00 O ATOM 819 CB LYS A 52 -2.722 16.598 36.586 1.00 0.00 C ATOM 820 CG LYS A 52 -3.227 15.371 37.354 1.00 0.00 C ATOM 821 CD LYS A 52 -4.757 15.329 37.286 1.00 0.00 C ATOM 822 CE LYS A 52 -5.334 15.671 38.662 1.00 0.00 C ATOM 823 NZ LYS A 52 -5.232 14.497 39.576 1.00 0.00 N ATOM 0 H LYS A 52 -2.148 18.885 37.465 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.961 16.231 37.811 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.410 17.433 36.718 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.683 16.383 35.518 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.807 14.461 36.926 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.898 15.416 38.392 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.119 16.037 36.541 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.092 14.340 36.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.797 16.519 39.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.377 15.972 38.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.775 14.684 40.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.615 13.654 39.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.235 14.333 39.821 1.00 0.00 H new ATOM 837 N VAL A 53 0.324 15.937 35.779 1.00 0.00 N ATOM 838 CA VAL A 53 1.303 15.865 34.686 1.00 0.00 C ATOM 839 C VAL A 53 1.376 14.462 34.120 1.00 0.00 C ATOM 840 O VAL A 53 0.963 13.515 34.759 1.00 0.00 O ATOM 841 CB VAL A 53 2.661 16.209 35.283 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.557 17.534 36.026 1.00 0.00 C ATOM 843 CG2 VAL A 53 3.070 15.114 36.268 1.00 0.00 C ATOM 0 H VAL A 53 0.242 15.095 36.349 1.00 0.00 H new ATOM 0 HA VAL A 53 1.016 16.548 33.887 1.00 0.00 H new ATOM 0 HB VAL A 53 3.404 16.286 34.489 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.526 17.787 36.456 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.253 18.317 35.332 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.818 17.448 36.822 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.042 15.356 36.698 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.328 15.045 37.064 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.132 14.159 35.746 1.00 0.00 H new ATOM 853 N ASN A 54 1.905 14.344 32.930 1.00 0.00 N ATOM 854 CA ASN A 54 2.007 13.002 32.325 1.00 0.00 C ATOM 855 C ASN A 54 3.354 12.404 32.680 1.00 0.00 C ATOM 856 O ASN A 54 4.384 12.961 32.355 1.00 0.00 O ATOM 857 CB ASN A 54 1.879 13.126 30.803 1.00 0.00 C ATOM 858 CG ASN A 54 0.599 12.423 30.347 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.540 11.214 30.254 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.448 13.143 30.053 1.00 0.00 N ATOM 0 H ASN A 54 2.264 15.113 32.364 1.00 0.00 H new ATOM 0 HA ASN A 54 1.212 12.358 32.702 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.855 14.176 30.512 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.746 12.681 30.316 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.309 12.690 29.747 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.406 14.159 30.129 1.00 0.00 H new ATOM 867 N VAL A 55 3.322 11.275 33.336 1.00 0.00 N ATOM 868 CA VAL A 55 4.588 10.619 33.731 1.00 0.00 C ATOM 869 C VAL A 55 4.914 9.427 32.853 1.00 0.00 C ATOM 870 O VAL A 55 4.148 8.488 32.763 1.00 0.00 O ATOM 871 CB VAL A 55 4.426 10.105 35.172 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.709 9.390 35.604 1.00 0.00 C ATOM 873 CG2 VAL A 55 4.166 11.282 36.110 1.00 0.00 C ATOM 0 H VAL A 55 2.472 10.784 33.612 1.00 0.00 H new ATOM 0 HA VAL A 55 5.392 11.349 33.633 1.00 0.00 H new ATOM 0 HB VAL A 55 3.586 9.412 35.216 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.596 9.025 36.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.899 8.549 34.937 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.547 10.086 35.558 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.052 10.916 37.130 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.006 11.975 36.065 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.255 11.796 35.805 1.00 0.00 H new ATOM 883 N GLU A 56 6.050 9.486 32.216 1.00 0.00 N ATOM 884 CA GLU A 56 6.446 8.366 31.345 1.00 0.00 C ATOM 885 C GLU A 56 7.243 7.376 32.169 1.00 0.00 C ATOM 886 O GLU A 56 8.245 7.733 32.749 1.00 0.00 O ATOM 887 CB GLU A 56 7.332 8.905 30.213 1.00 0.00 C ATOM 888 CG GLU A 56 6.443 9.466 29.107 1.00 0.00 C ATOM 889 CD GLU A 56 7.324 10.048 28.001 1.00 0.00 C ATOM 890 OE1 GLU A 56 8.221 10.794 28.359 1.00 0.00 O ATOM 891 OE2 GLU A 56 7.050 9.716 26.859 1.00 0.00 O ATOM 0 H GLU A 56 6.712 10.260 32.266 1.00 0.00 H new ATOM 0 HA GLU A 56 5.564 7.882 30.925 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.996 9.682 30.592 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.965 8.109 29.820 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.804 8.680 28.704 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.785 10.237 29.508 1.00 0.00 H new ATOM 898 N LEU A 57 6.794 6.150 32.207 1.00 0.00 N ATOM 899 CA LEU A 57 7.529 5.134 33.003 1.00 0.00 C ATOM 900 C LEU A 57 8.462 4.306 32.136 1.00 0.00 C ATOM 901 O LEU A 57 8.123 3.937 31.031 1.00 0.00 O ATOM 902 CB LEU A 57 6.495 4.200 33.645 1.00 0.00 C ATOM 903 CG LEU A 57 5.506 5.040 34.455 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.137 4.356 34.451 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.006 5.157 35.893 1.00 0.00 C ATOM 0 H LEU A 57 5.960 5.814 31.726 1.00 0.00 H new ATOM 0 HA LEU A 57 8.133 5.646 33.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.968 3.635 32.876 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.991 3.475 34.290 1.00 0.00 H new ATOM 0 HG LEU A 57 5.420 6.033 34.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.430 4.953 35.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.780 4.262 33.425 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.224 3.365 34.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.304 5.755 36.475 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.086 4.163 36.332 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.985 5.637 35.900 1.00 0.00 H new ATOM 917 N SER A 58 9.630 4.021 32.658 1.00 0.00 N ATOM 918 CA SER A 58 10.597 3.214 31.871 1.00 0.00 C ATOM 919 C SER A 58 10.448 1.711 32.205 1.00 0.00 C ATOM 920 O SER A 58 10.446 1.336 33.360 1.00 0.00 O ATOM 921 CB SER A 58 12.015 3.663 32.256 1.00 0.00 C ATOM 922 OG SER A 58 11.965 3.807 33.668 1.00 0.00 O ATOM 0 H SER A 58 9.948 4.310 33.583 1.00 0.00 H new ATOM 0 HA SER A 58 10.410 3.359 30.807 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.761 2.926 31.957 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.281 4.601 31.769 1.00 0.00 H new ATOM 0 HG SER A 58 11.458 3.063 34.055 1.00 0.00 H new ATOM 928 N PRO A 59 10.327 0.868 31.174 1.00 0.00 N ATOM 929 CA PRO A 59 10.181 -0.573 31.384 1.00 0.00 C ATOM 930 C PRO A 59 11.353 -1.149 32.175 1.00 0.00 C ATOM 931 O PRO A 59 11.373 -2.326 32.486 1.00 0.00 O ATOM 932 CB PRO A 59 10.161 -1.184 29.967 1.00 0.00 C ATOM 933 CG PRO A 59 10.273 -0.006 28.952 1.00 0.00 C ATOM 934 CD PRO A 59 10.336 1.295 29.767 1.00 0.00 C ATOM 0 HA PRO A 59 9.281 -0.796 31.957 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.988 -1.882 29.838 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.241 -1.746 29.804 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.164 -0.115 28.333 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.416 0.004 28.278 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.237 1.863 29.533 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.486 1.940 29.546 1.00 0.00 H new ATOM 942 N TYR A 60 12.305 -0.306 32.491 1.00 0.00 N ATOM 943 CA TYR A 60 13.467 -0.763 33.248 1.00 0.00 C ATOM 944 C TYR A 60 13.293 -0.382 34.694 1.00 0.00 C ATOM 945 O TYR A 60 14.004 -0.848 35.562 1.00 0.00 O ATOM 946 CB TYR A 60 14.724 -0.071 32.695 1.00 0.00 C ATOM 947 CG TYR A 60 15.926 -0.425 33.577 1.00 0.00 C ATOM 948 CD1 TYR A 60 16.716 0.569 34.117 1.00 0.00 C ATOM 949 CD2 TYR A 60 16.232 -1.743 33.848 1.00 0.00 C ATOM 950 CE1 TYR A 60 17.796 0.251 34.916 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.312 -2.062 34.647 1.00 0.00 C ATOM 952 CZ TYR A 60 18.102 -1.067 35.188 1.00 0.00 C ATOM 953 OH TYR A 60 19.179 -1.385 35.992 1.00 0.00 O ATOM 0 H TYR A 60 12.309 0.684 32.246 1.00 0.00 H new ATOM 0 HA TYR A 60 13.567 -1.845 33.160 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.906 -0.388 31.668 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.579 1.009 32.674 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.488 1.605 33.913 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.622 -2.531 33.432 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.406 1.040 35.331 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.541 -3.098 34.850 1.00 0.00 H new ATOM 0 HH TYR A 60 19.247 -2.359 36.078 1.00 0.00 H new ATOM 963 N ASP A 61 12.335 0.473 34.925 1.00 0.00 N ATOM 964 CA ASP A 61 12.073 0.916 36.299 1.00 0.00 C ATOM 965 C ASP A 61 10.600 1.248 36.481 1.00 0.00 C ATOM 966 O ASP A 61 10.195 2.383 36.323 1.00 0.00 O ATOM 967 CB ASP A 61 12.899 2.178 36.575 1.00 0.00 C ATOM 968 CG ASP A 61 14.387 1.846 36.469 1.00 0.00 C ATOM 969 OD1 ASP A 61 14.876 1.249 37.413 1.00 0.00 O ATOM 970 OD2 ASP A 61 14.950 2.212 35.452 1.00 0.00 O ATOM 0 H ASP A 61 11.728 0.878 34.212 1.00 0.00 H new ATOM 0 HA ASP A 61 12.345 0.116 36.988 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.638 2.960 35.861 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.672 2.564 37.568 1.00 0.00 H new ATOM 975 N LEU A 62 9.822 0.257 36.813 1.00 0.00 N ATOM 976 CA LEU A 62 8.378 0.504 37.009 1.00 0.00 C ATOM 977 C LEU A 62 8.145 1.307 38.271 1.00 0.00 C ATOM 978 O LEU A 62 7.082 1.264 38.858 1.00 0.00 O ATOM 979 CB LEU A 62 7.664 -0.849 37.128 1.00 0.00 C ATOM 980 CG LEU A 62 7.973 -1.684 35.881 1.00 0.00 C ATOM 981 CD1 LEU A 62 8.921 -2.823 36.258 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.671 -2.273 35.333 1.00 0.00 C ATOM 0 H LEU A 62 10.126 -0.706 36.955 1.00 0.00 H new ATOM 0 HA LEU A 62 7.989 1.068 36.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.996 -1.373 38.024 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.589 -0.701 37.225 1.00 0.00 H new ATOM 0 HG LEU A 62 8.439 -1.054 35.124 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.143 -3.419 35.373 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.846 -2.409 36.658 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.450 -3.454 37.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.886 -2.868 34.445 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.210 -2.906 36.091 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.988 -1.465 35.071 1.00 0.00 H new ATOM 994 N THR A 63 9.157 2.020 38.663 1.00 0.00 N ATOM 995 CA THR A 63 9.055 2.855 39.888 1.00 0.00 C ATOM 996 C THR A 63 9.657 4.232 39.640 1.00 0.00 C ATOM 997 O THR A 63 9.743 5.049 40.535 1.00 0.00 O ATOM 998 CB THR A 63 9.829 2.167 41.012 1.00 0.00 C ATOM 999 OG1 THR A 63 9.296 0.860 41.085 1.00 0.00 O ATOM 1000 CG2 THR A 63 9.492 2.798 42.370 1.00 0.00 C ATOM 0 H THR A 63 10.057 2.062 38.185 1.00 0.00 H new ATOM 0 HA THR A 63 8.006 2.972 40.160 1.00 0.00 H new ATOM 0 HB THR A 63 10.900 2.229 40.817 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.754 0.359 41.792 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.054 2.293 43.155 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.758 3.855 42.356 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.424 2.695 42.564 1.00 0.00 H new ATOM 1008 N ARG A 64 10.075 4.456 38.420 1.00 0.00 N ATOM 1009 CA ARG A 64 10.677 5.762 38.066 1.00 0.00 C ATOM 1010 C ARG A 64 10.228 6.185 36.668 1.00 0.00 C ATOM 1011 O ARG A 64 10.220 5.383 35.744 1.00 0.00 O ATOM 1012 CB ARG A 64 12.204 5.603 38.074 1.00 0.00 C ATOM 1013 CG ARG A 64 12.610 4.752 39.282 1.00 0.00 C ATOM 1014 CD ARG A 64 14.106 4.456 39.205 1.00 0.00 C ATOM 1015 NE ARG A 64 14.562 3.916 40.517 1.00 0.00 N ATOM 1016 CZ ARG A 64 15.755 3.393 40.616 1.00 0.00 C ATOM 1017 NH1 ARG A 64 16.114 2.475 39.762 1.00 0.00 N ATOM 1018 NH2 ARG A 64 16.547 3.806 41.568 1.00 0.00 N ATOM 0 H ARG A 64 10.022 3.783 37.655 1.00 0.00 H new ATOM 0 HA ARG A 64 10.362 6.520 38.783 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.538 5.130 37.151 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.684 6.580 38.123 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.378 5.279 40.208 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.043 3.821 39.294 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.307 3.736 38.411 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.657 5.364 38.959 1.00 0.00 H new ATOM 0 HE ARG A 64 13.948 3.954 41.331 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.467 2.177 39.032 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.042 2.056 39.824 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.231 4.525 42.219 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.482 3.410 41.661 1.00 0.00 H new ATOM 1032 N GLY A 65 9.854 7.432 36.536 1.00 0.00 N ATOM 1033 CA GLY A 65 9.400 7.925 35.202 1.00 0.00 C ATOM 1034 C GLY A 65 9.908 9.347 34.956 1.00 0.00 C ATOM 1035 O GLY A 65 10.978 9.708 35.402 1.00 0.00 O ATOM 0 H GLY A 65 9.843 8.123 37.286 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.766 7.261 34.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.311 7.908 35.152 1.00 0.00 H new ATOM 1039 N ARG A 66 9.135 10.127 34.235 1.00 0.00 N ATOM 1040 CA ARG A 66 9.580 11.530 33.962 1.00 0.00 C ATOM 1041 C ARG A 66 8.441 12.408 33.418 1.00 0.00 C ATOM 1042 O ARG A 66 7.527 11.926 32.779 1.00 0.00 O ATOM 1043 CB ARG A 66 10.710 11.483 32.918 1.00 0.00 C ATOM 1044 CG ARG A 66 10.188 10.838 31.632 1.00 0.00 C ATOM 1045 CD ARG A 66 11.330 10.758 30.613 1.00 0.00 C ATOM 1046 NE ARG A 66 12.483 10.040 31.231 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.684 10.543 31.127 1.00 0.00 C ATOM 1048 NH1 ARG A 66 14.073 11.431 32.001 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.456 10.138 30.156 1.00 0.00 N ATOM 0 H ARG A 66 8.236 9.860 33.833 1.00 0.00 H new ATOM 0 HA ARG A 66 9.916 11.969 34.902 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.072 12.490 32.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.555 10.914 33.306 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.800 9.841 31.842 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.362 11.422 31.226 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.998 10.235 29.716 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.631 11.759 30.306 1.00 0.00 H new ATOM 0 HE ARG A 66 12.334 9.163 31.731 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.443 11.721 32.749 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.007 11.835 31.936 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.119 9.440 29.494 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.397 10.520 30.059 1.00 0.00 H new ATOM 1063 N ILE A 67 8.534 13.696 33.694 1.00 0.00 N ATOM 1064 CA ILE A 67 7.481 14.652 33.213 1.00 0.00 C ATOM 1065 C ILE A 67 7.872 15.264 31.880 1.00 0.00 C ATOM 1066 O ILE A 67 8.914 15.880 31.759 1.00 0.00 O ATOM 1067 CB ILE A 67 7.355 15.787 34.227 1.00 0.00 C ATOM 1068 CG1 ILE A 67 7.189 15.220 35.621 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.105 16.618 33.877 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.133 14.128 35.591 1.00 0.00 C ATOM 0 H ILE A 67 9.291 14.121 34.229 1.00 0.00 H new ATOM 0 HA ILE A 67 6.544 14.107 33.099 1.00 0.00 H new ATOM 0 HB ILE A 67 8.252 16.406 34.195 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.137 14.817 35.978 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.896 16.008 36.315 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.999 17.434 34.592 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.210 17.027 32.872 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.221 15.981 33.920 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.008 13.715 36.592 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.186 14.547 35.251 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.446 13.338 34.909 1.00 0.00 H new ATOM 1082 N THR A 68 7.025 15.080 30.907 1.00 0.00 N ATOM 1083 CA THR A 68 7.303 15.636 29.560 1.00 0.00 C ATOM 1084 C THR A 68 6.128 16.459 29.059 1.00 0.00 C ATOM 1085 O THR A 68 6.112 16.882 27.920 1.00 0.00 O ATOM 1086 CB THR A 68 7.511 14.474 28.601 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.877 13.366 29.210 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.992 14.083 28.522 1.00 0.00 C ATOM 0 H THR A 68 6.148 14.565 30.990 1.00 0.00 H new ATOM 0 HA THR A 68 8.184 16.275 29.616 1.00 0.00 H new ATOM 0 HB THR A 68 7.138 14.743 27.613 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.911 13.414 29.051 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.112 13.250 27.829 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.575 14.934 28.170 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.343 13.787 29.510 1.00 0.00 H new ATOM 1096 N TRP A 69 5.155 16.681 29.910 1.00 0.00 N ATOM 1097 CA TRP A 69 3.992 17.472 29.458 1.00 0.00 C ATOM 1098 C TRP A 69 2.993 17.710 30.588 1.00 0.00 C ATOM 1099 O TRP A 69 2.335 16.793 31.041 1.00 0.00 O ATOM 1100 CB TRP A 69 3.298 16.634 28.370 1.00 0.00 C ATOM 1101 CG TRP A 69 3.791 15.175 28.496 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.062 14.580 29.656 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.076 14.388 27.488 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.544 13.386 29.303 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.584 13.174 27.932 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.936 14.617 26.132 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.944 12.204 27.022 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.299 13.643 25.225 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.802 12.437 25.670 1.00 0.00 C ATOM 0 H TRP A 69 5.124 16.353 30.875 1.00 0.00 H new ATOM 0 HA TRP A 69 4.327 18.446 29.101 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.215 16.681 28.487 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.529 17.029 27.381 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.924 14.973 30.653 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.855 12.691 29.981 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.542 15.560 25.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.338 11.260 27.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.190 13.824 24.166 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.085 11.675 24.959 1.00 0.00 H new ATOM 1120 N ARG A 70 2.886 18.936 31.013 1.00 0.00 N ATOM 1121 CA ARG A 70 1.948 19.246 32.092 1.00 0.00 C ATOM 1122 C ARG A 70 0.517 19.271 31.568 1.00 0.00 C ATOM 1123 O ARG A 70 0.216 19.960 30.614 1.00 0.00 O ATOM 1124 CB ARG A 70 2.297 20.634 32.656 1.00 0.00 C ATOM 1125 CG ARG A 70 1.267 21.020 33.723 1.00 0.00 C ATOM 1126 CD ARG A 70 1.544 22.450 34.195 1.00 0.00 C ATOM 1127 NE ARG A 70 0.744 23.398 33.366 1.00 0.00 N ATOM 1128 CZ ARG A 70 -0.522 23.570 33.634 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -0.860 24.017 34.812 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -1.406 23.293 32.715 1.00 0.00 N ATOM 0 H ARG A 70 3.414 19.730 30.651 1.00 0.00 H new ATOM 0 HA ARG A 70 2.025 18.481 32.865 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.298 20.623 33.087 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.303 21.374 31.855 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.259 20.948 33.315 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.321 20.329 34.565 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.282 22.557 35.248 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.607 22.677 34.107 1.00 0.00 H new ATOM 0 HE ARG A 70 1.182 23.906 32.598 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.140 24.225 35.504 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.844 24.158 35.041 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.104 22.948 31.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.399 23.422 32.908 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.341 18.522 32.201 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.754 18.490 31.753 1.00 0.00 C ATOM 1146 C LYS A 71 -2.272 19.900 31.478 1.00 0.00 C ATOM 1147 O LYS A 71 -1.918 20.837 32.164 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.599 17.864 32.873 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.002 17.564 32.339 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.152 16.052 32.148 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.533 15.754 31.562 1.00 0.00 C ATOM 1152 NZ LYS A 71 -5.612 14.336 31.110 1.00 0.00 N ATOM 0 H LYS A 71 -0.123 17.934 33.006 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.823 17.909 30.833 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.129 16.947 33.230 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.658 18.544 33.723 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.756 17.932 33.035 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.163 18.080 31.393 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.373 15.678 31.483 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.030 15.539 33.102 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.302 15.947 32.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.730 16.421 30.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.545 13.946 31.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.476 14.292 30.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.870 13.780 31.581 1.00 0.00 H new ATOM 1166 N LYS A 72 -3.100 20.022 30.475 1.00 0.00 N ATOM 1167 CA LYS A 72 -3.649 21.361 30.142 1.00 0.00 C ATOM 1168 C LYS A 72 -4.938 21.233 29.338 1.00 0.00 C ATOM 1169 O LYS A 72 -5.917 21.806 29.790 1.00 0.00 O ATOM 1170 CB LYS A 72 -2.612 22.120 29.298 1.00 0.00 C ATOM 1171 CG LYS A 72 -2.999 23.601 29.243 1.00 0.00 C ATOM 1172 CD LYS A 72 -3.902 23.842 28.031 1.00 0.00 C ATOM 1173 CE LYS A 72 -4.060 25.347 27.812 1.00 0.00 C ATOM 1174 NZ LYS A 72 -5.096 25.617 26.775 1.00 0.00 N ATOM 0 H LYS A 72 -3.416 19.257 29.878 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.865 21.895 31.067 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.618 22.007 29.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.570 21.705 28.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.516 23.888 30.159 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.105 24.220 29.174 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.472 23.377 27.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.877 23.382 28.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.340 25.829 28.748 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.107 25.778 27.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.191 26.644 26.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.813 25.173 25.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.008 25.223 27.084 1.00 0.00 H new TER 1188 LYS A 72