USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.791 (180deg=0.716) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -3.73! (180deg=-4.05!) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.668 (180deg=-2.57!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.05! K(o=-3.1!,f=-0.72) USER MOD Single : A 23 ASN : amide:sc= -2.82! C(o=-2.8!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 31 GLN : amide:sc= -14.3! C(o=-14!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -105:sc= -0.513 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 TYR OH : rot 23:sc= -3.68! USER MOD Single : A 42 GLN : amide:sc= -1.87! K(o=-1.9!,f=-1) USER MOD Single : A 43 HIS : no HE2:sc= -9.33! C(o=-9.3!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 48 ASN : amide:sc= -7.25! C(o=-7.2!,f=-11!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.685 10.691 -9.513 1.00 0.00 N ATOM 2 CA PRO A 1 -3.207 9.472 -8.822 1.00 0.00 C ATOM 3 C PRO A 1 -2.492 9.293 -7.481 1.00 0.00 C ATOM 4 O PRO A 1 -1.625 8.453 -7.336 1.00 0.00 O ATOM 5 CB PRO A 1 -2.940 8.260 -9.715 1.00 0.00 C ATOM 6 CG PRO A 1 -2.242 8.765 -10.971 1.00 0.00 C ATOM 7 CD PRO A 1 -2.040 10.283 -10.799 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.011 11.172 -8.918 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.445 11.347 -9.693 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.277 9.574 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.317 7.531 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.873 7.758 -9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.285 8.262 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -2.842 8.554 -11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.978 10.527 -10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.482 10.824 -11.636 1.00 0.00 H new ATOM 17 N GLU A 2 -2.845 10.077 -6.500 1.00 0.00 N ATOM 18 CA GLU A 2 -2.184 9.951 -5.171 1.00 0.00 C ATOM 19 C GLU A 2 -2.672 8.679 -4.476 1.00 0.00 C ATOM 20 O GLU A 2 -3.833 8.325 -4.547 1.00 0.00 O ATOM 21 CB GLU A 2 -2.531 11.168 -4.311 1.00 0.00 C ATOM 22 CG GLU A 2 -1.250 11.929 -3.964 1.00 0.00 C ATOM 23 CD GLU A 2 -1.491 12.800 -2.729 1.00 0.00 C ATOM 24 OE1 GLU A 2 -1.835 12.248 -1.697 1.00 0.00 O ATOM 25 OE2 GLU A 2 -1.329 14.005 -2.838 1.00 0.00 O ATOM 0 H GLU A 2 -3.563 10.799 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.104 9.898 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.221 11.820 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.036 10.850 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.438 11.227 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.944 12.550 -4.806 1.00 0.00 H new ATOM 32 N PHE A 3 -1.790 7.987 -3.812 1.00 0.00 N ATOM 33 CA PHE A 3 -2.185 6.734 -3.116 1.00 0.00 C ATOM 34 C PHE A 3 -1.447 6.676 -1.781 1.00 0.00 C ATOM 35 O PHE A 3 -0.491 7.385 -1.562 1.00 0.00 O ATOM 36 CB PHE A 3 -1.811 5.543 -4.022 1.00 0.00 C ATOM 37 CG PHE A 3 -1.320 4.369 -3.245 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.055 4.430 -2.688 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.086 3.207 -3.129 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.457 3.341 -2.015 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.568 2.106 -2.460 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.299 2.164 -1.905 1.00 0.00 C ATOM 0 H PHE A 3 -0.806 8.238 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.257 6.699 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.682 5.249 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.042 5.855 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.532 5.332 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.076 3.165 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.441 3.394 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.154 1.203 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.107 1.306 -1.390 1.00 0.00 H new ATOM 52 N LEU A 4 -1.893 5.843 -0.893 1.00 0.00 N ATOM 53 CA LEU A 4 -1.227 5.740 0.441 1.00 0.00 C ATOM 54 C LEU A 4 0.279 5.535 0.265 1.00 0.00 C ATOM 55 O LEU A 4 0.762 4.421 0.271 1.00 0.00 O ATOM 56 CB LEU A 4 -1.790 4.541 1.203 1.00 0.00 C ATOM 57 CG LEU A 4 -2.033 3.402 0.230 1.00 0.00 C ATOM 58 CD1 LEU A 4 -1.229 2.208 0.698 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.518 3.050 0.222 1.00 0.00 C ATOM 0 H LEU A 4 -2.692 5.224 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.412 6.662 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.093 4.229 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.720 4.815 1.701 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.733 3.689 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.386 1.373 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.170 2.467 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.551 1.923 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.694 2.232 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.825 2.745 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.097 3.921 -0.086 1.00 0.00 H new ATOM 71 N GLU A 5 1.036 6.590 0.138 1.00 0.00 N ATOM 72 CA GLU A 5 2.507 6.418 -0.006 1.00 0.00 C ATOM 73 C GLU A 5 3.047 5.803 1.287 1.00 0.00 C ATOM 74 O GLU A 5 4.169 5.341 1.351 1.00 0.00 O ATOM 75 CB GLU A 5 3.171 7.774 -0.259 1.00 0.00 C ATOM 76 CG GLU A 5 2.669 8.375 -1.581 1.00 0.00 C ATOM 77 CD GLU A 5 1.361 9.128 -1.334 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.127 9.516 -0.201 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.614 9.304 -2.283 1.00 0.00 O ATOM 0 H GLU A 5 0.703 7.554 0.128 1.00 0.00 H new ATOM 0 HA GLU A 5 2.727 5.766 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.951 8.454 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.254 7.656 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.418 9.051 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.513 7.585 -2.316 1.00 0.00 H new ATOM 86 N ASP A 6 2.241 5.780 2.314 1.00 0.00 N ATOM 87 CA ASP A 6 2.672 5.182 3.603 1.00 0.00 C ATOM 88 C ASP A 6 1.419 4.725 4.360 1.00 0.00 C ATOM 89 O ASP A 6 0.789 5.513 5.037 1.00 0.00 O ATOM 90 CB ASP A 6 3.450 6.223 4.422 1.00 0.00 C ATOM 91 CG ASP A 6 3.267 5.981 5.925 1.00 0.00 C ATOM 92 OD1 ASP A 6 4.050 5.229 6.484 1.00 0.00 O ATOM 93 OD2 ASP A 6 2.348 6.550 6.490 1.00 0.00 O ATOM 0 H ASP A 6 1.292 6.155 2.311 1.00 0.00 H new ATOM 0 HA ASP A 6 3.327 4.328 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.509 6.175 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.106 7.225 4.166 1.00 0.00 H new ATOM 98 N PRO A 7 1.095 3.465 4.213 1.00 0.00 N ATOM 99 CA PRO A 7 -0.082 2.861 4.869 1.00 0.00 C ATOM 100 C PRO A 7 0.194 2.561 6.344 1.00 0.00 C ATOM 101 O PRO A 7 -0.183 1.523 6.852 1.00 0.00 O ATOM 102 CB PRO A 7 -0.296 1.555 4.110 1.00 0.00 C ATOM 103 CG PRO A 7 1.051 1.212 3.438 1.00 0.00 C ATOM 104 CD PRO A 7 1.865 2.526 3.369 1.00 0.00 C ATOM 0 HA PRO A 7 -0.946 3.525 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.605 0.759 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.084 1.664 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.587 0.455 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.892 0.803 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.878 2.389 3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.952 2.889 2.345 1.00 0.00 H new ATOM 112 N SER A 8 0.836 3.451 7.041 1.00 0.00 N ATOM 113 CA SER A 8 1.115 3.198 8.477 1.00 0.00 C ATOM 114 C SER A 8 -0.178 3.374 9.281 1.00 0.00 C ATOM 115 O SER A 8 -0.190 3.235 10.488 1.00 0.00 O ATOM 116 CB SER A 8 2.174 4.188 8.968 1.00 0.00 C ATOM 117 OG SER A 8 1.547 5.224 9.712 1.00 0.00 O ATOM 0 H SER A 8 1.179 4.341 6.679 1.00 0.00 H new ATOM 0 HA SER A 8 1.485 2.182 8.610 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.908 3.674 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.713 4.610 8.120 1.00 0.00 H new ATOM 0 HG SER A 8 2.226 5.857 10.028 1.00 0.00 H new ATOM 123 N VAL A 9 -1.267 3.686 8.624 1.00 0.00 N ATOM 124 CA VAL A 9 -2.548 3.874 9.360 1.00 0.00 C ATOM 125 C VAL A 9 -3.596 2.861 8.877 1.00 0.00 C ATOM 126 O VAL A 9 -4.445 2.437 9.637 1.00 0.00 O ATOM 127 CB VAL A 9 -3.062 5.298 9.138 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.903 6.287 9.284 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.657 5.418 7.736 1.00 0.00 C ATOM 0 H VAL A 9 -1.322 3.818 7.614 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.372 3.713 10.423 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.830 5.523 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.268 7.302 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.479 6.206 10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.135 6.059 8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.022 6.433 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.891 5.191 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.483 4.715 7.630 1.00 0.00 H new ATOM 139 N LEU A 10 -3.561 2.463 7.628 1.00 0.00 N ATOM 140 CA LEU A 10 -4.581 1.478 7.153 1.00 0.00 C ATOM 141 C LEU A 10 -4.088 0.064 7.343 1.00 0.00 C ATOM 142 O LEU A 10 -3.029 -0.329 6.896 1.00 0.00 O ATOM 143 CB LEU A 10 -4.918 1.646 5.655 1.00 0.00 C ATOM 144 CG LEU A 10 -3.761 2.340 4.921 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.820 2.015 3.423 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.868 3.853 5.117 1.00 0.00 C ATOM 0 H LEU A 10 -2.884 2.771 6.929 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.474 1.669 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.109 0.671 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.831 2.232 5.544 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.815 1.983 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.996 2.511 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.739 0.937 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.767 2.365 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.047 4.346 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.817 4.206 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.816 4.087 6.180 1.00 0.00 H new ATOM 158 N THR A 11 -4.916 -0.698 7.963 1.00 0.00 N ATOM 159 CA THR A 11 -4.654 -2.135 8.184 1.00 0.00 C ATOM 160 C THR A 11 -4.149 -2.751 6.888 1.00 0.00 C ATOM 161 O THR A 11 -4.034 -2.096 5.872 1.00 0.00 O ATOM 162 CB THR A 11 -6.001 -2.770 8.490 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.935 -4.176 8.299 1.00 0.00 O ATOM 164 CG2 THR A 11 -7.025 -2.157 7.521 1.00 0.00 C ATOM 0 H THR A 11 -5.805 -0.374 8.344 1.00 0.00 H new ATOM 0 HA THR A 11 -3.926 -2.284 8.981 1.00 0.00 H new ATOM 0 HB THR A 11 -6.286 -2.584 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.807 -4.575 8.500 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.008 -2.589 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.068 -1.078 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.727 -2.369 6.494 1.00 0.00 H new ATOM 172 N LYS A 12 -3.901 -4.019 6.896 1.00 0.00 N ATOM 173 CA LYS A 12 -3.458 -4.675 5.643 1.00 0.00 C ATOM 174 C LYS A 12 -4.697 -4.958 4.779 1.00 0.00 C ATOM 175 O LYS A 12 -4.604 -5.534 3.713 1.00 0.00 O ATOM 176 CB LYS A 12 -2.773 -6.005 5.970 1.00 0.00 C ATOM 177 CG LYS A 12 -1.326 -5.998 5.471 1.00 0.00 C ATOM 178 CD LYS A 12 -0.407 -5.554 6.614 1.00 0.00 C ATOM 179 CE LYS A 12 -0.378 -6.628 7.708 1.00 0.00 C ATOM 180 NZ LYS A 12 0.366 -6.109 8.891 1.00 0.00 N ATOM 0 H LYS A 12 -3.984 -4.630 7.708 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.759 -4.027 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.792 -6.176 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.320 -6.826 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.042 -6.992 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.224 -5.323 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.600 -5.381 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.759 -4.609 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.394 -6.899 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.100 -7.533 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.272 -6.778 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.371 -5.999 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.026 -5.187 9.170 1.00 0.00 H new ATOM 194 N ASP A 13 -5.862 -4.589 5.255 1.00 0.00 N ATOM 195 CA ASP A 13 -7.116 -4.871 4.493 1.00 0.00 C ATOM 196 C ASP A 13 -7.625 -3.631 3.738 1.00 0.00 C ATOM 197 O ASP A 13 -8.468 -3.742 2.870 1.00 0.00 O ATOM 198 CB ASP A 13 -8.197 -5.334 5.478 1.00 0.00 C ATOM 199 CG ASP A 13 -8.589 -6.782 5.173 1.00 0.00 C ATOM 200 OD1 ASP A 13 -7.883 -7.419 4.408 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.590 -7.229 5.709 1.00 0.00 O ATOM 0 H ASP A 13 -5.997 -4.103 6.142 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.897 -5.643 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.828 -5.255 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.071 -4.687 5.403 1.00 0.00 H new ATOM 206 N LYS A 14 -7.140 -2.456 4.039 1.00 0.00 N ATOM 207 CA LYS A 14 -7.624 -1.252 3.313 1.00 0.00 C ATOM 208 C LYS A 14 -6.695 -0.994 2.142 1.00 0.00 C ATOM 209 O LYS A 14 -7.100 -0.992 0.996 1.00 0.00 O ATOM 210 CB LYS A 14 -7.580 -0.090 4.268 1.00 0.00 C ATOM 211 CG LYS A 14 -8.438 1.054 3.755 1.00 0.00 C ATOM 212 CD LYS A 14 -7.985 1.478 2.362 1.00 0.00 C ATOM 213 CE LYS A 14 -6.542 1.943 2.445 1.00 0.00 C ATOM 214 NZ LYS A 14 -6.505 3.267 3.132 1.00 0.00 N ATOM 0 H LYS A 14 -6.433 -2.281 4.753 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.640 -1.391 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.933 -0.405 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.551 0.247 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.484 0.748 3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.372 1.900 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.075 0.645 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.620 2.280 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.942 1.216 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.113 2.023 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.568 3.699 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.232 3.890 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.690 3.137 4.147 1.00 0.00 H new ATOM 228 N LEU A 15 -5.452 -0.775 2.437 1.00 0.00 N ATOM 229 CA LEU A 15 -4.448 -0.508 1.368 1.00 0.00 C ATOM 230 C LEU A 15 -4.736 -1.372 0.145 1.00 0.00 C ATOM 231 O LEU A 15 -4.376 -1.025 -0.961 1.00 0.00 O ATOM 232 CB LEU A 15 -3.033 -0.839 1.852 1.00 0.00 C ATOM 233 CG LEU A 15 -3.053 -1.494 3.235 1.00 0.00 C ATOM 234 CD1 LEU A 15 -3.921 -2.747 3.220 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.631 -1.880 3.617 1.00 0.00 C ATOM 0 H LEU A 15 -5.078 -0.768 3.386 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.516 0.550 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.550 -1.507 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.437 0.073 1.889 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.465 -0.789 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.924 -3.200 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.940 -2.480 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.521 -3.458 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.633 -2.348 4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.235 -2.581 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.006 -0.988 3.641 1.00 0.00 H new ATOM 247 N LYS A 16 -5.373 -2.496 0.320 1.00 0.00 N ATOM 248 CA LYS A 16 -5.655 -3.347 -0.825 1.00 0.00 C ATOM 249 C LYS A 16 -6.907 -2.833 -1.507 1.00 0.00 C ATOM 250 O LYS A 16 -6.934 -2.623 -2.694 1.00 0.00 O ATOM 251 CB LYS A 16 -5.795 -4.769 -0.321 1.00 0.00 C ATOM 252 CG LYS A 16 -7.225 -5.084 0.060 1.00 0.00 C ATOM 253 CD LYS A 16 -7.383 -6.598 0.203 1.00 0.00 C ATOM 254 CE LYS A 16 -7.654 -6.950 1.664 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.878 -6.238 2.126 1.00 0.00 N ATOM 0 H LYS A 16 -5.704 -2.847 1.218 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.855 -3.331 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.461 -5.464 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.147 -4.916 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.482 -4.589 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.909 -4.705 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.203 -6.949 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.480 -7.102 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.784 -8.027 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.801 -6.668 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.352 -6.803 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.614 -5.312 2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.524 -6.102 1.323 1.00 0.00 H new ATOM 269 N SER A 17 -7.932 -2.601 -0.750 1.00 0.00 N ATOM 270 CA SER A 17 -9.185 -2.056 -1.345 1.00 0.00 C ATOM 271 C SER A 17 -8.802 -0.947 -2.324 1.00 0.00 C ATOM 272 O SER A 17 -9.478 -0.701 -3.302 1.00 0.00 O ATOM 273 CB SER A 17 -10.075 -1.483 -0.249 1.00 0.00 C ATOM 274 OG SER A 17 -11.210 -2.316 -0.074 1.00 0.00 O ATOM 0 H SER A 17 -7.963 -2.763 0.257 1.00 0.00 H new ATOM 0 HA SER A 17 -9.730 -2.848 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.518 -1.410 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.390 -0.473 -0.513 1.00 0.00 H new ATOM 0 HG SER A 17 -11.781 -1.947 0.632 1.00 0.00 H new ATOM 280 N GLU A 18 -7.697 -0.295 -2.072 1.00 0.00 N ATOM 281 CA GLU A 18 -7.239 0.774 -2.991 1.00 0.00 C ATOM 282 C GLU A 18 -6.460 0.121 -4.136 1.00 0.00 C ATOM 283 O GLU A 18 -6.846 0.217 -5.278 1.00 0.00 O ATOM 284 CB GLU A 18 -6.326 1.745 -2.251 1.00 0.00 C ATOM 285 CG GLU A 18 -6.762 1.884 -0.784 1.00 0.00 C ATOM 286 CD GLU A 18 -6.625 3.351 -0.362 1.00 0.00 C ATOM 287 OE1 GLU A 18 -5.985 4.096 -1.084 1.00 0.00 O ATOM 288 OE2 GLU A 18 -7.163 3.701 0.675 1.00 0.00 O ATOM 0 H GLU A 18 -7.095 -0.461 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.098 1.323 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.296 1.392 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.352 2.720 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.793 1.552 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.147 1.249 -0.146 1.00 0.00 H new ATOM 295 N LEU A 19 -5.367 -0.548 -3.830 1.00 0.00 N ATOM 296 CA LEU A 19 -4.562 -1.233 -4.894 1.00 0.00 C ATOM 297 C LEU A 19 -5.497 -1.758 -5.981 1.00 0.00 C ATOM 298 O LEU A 19 -5.196 -1.723 -7.158 1.00 0.00 O ATOM 299 CB LEU A 19 -3.829 -2.425 -4.276 1.00 0.00 C ATOM 300 CG LEU A 19 -2.499 -1.975 -3.695 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.269 -2.659 -2.343 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.418 -2.407 -4.650 1.00 0.00 C ATOM 0 H LEU A 19 -4.999 -0.648 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.851 -0.526 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.443 -2.874 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.664 -3.192 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.491 -0.894 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.314 -2.334 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.073 -2.390 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.256 -3.740 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.447 -2.099 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.439 -3.492 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.585 -1.943 -5.622 1.00 0.00 H new ATOM 314 N VAL A 20 -6.638 -2.234 -5.580 1.00 0.00 N ATOM 315 CA VAL A 20 -7.628 -2.757 -6.545 1.00 0.00 C ATOM 316 C VAL A 20 -7.901 -1.671 -7.587 1.00 0.00 C ATOM 317 O VAL A 20 -7.684 -1.852 -8.769 1.00 0.00 O ATOM 318 CB VAL A 20 -8.908 -3.094 -5.770 1.00 0.00 C ATOM 319 CG1 VAL A 20 -9.860 -3.888 -6.667 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.553 -3.923 -4.530 1.00 0.00 C ATOM 0 H VAL A 20 -6.929 -2.282 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.264 -3.652 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.396 -2.170 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.768 -4.126 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.115 -3.293 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.376 -4.812 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.463 -4.162 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.062 -4.846 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.882 -3.351 -3.890 1.00 0.00 H new ATOM 330 N ALA A 21 -8.363 -0.540 -7.141 1.00 0.00 N ATOM 331 CA ALA A 21 -8.649 0.589 -8.068 1.00 0.00 C ATOM 332 C ALA A 21 -7.347 1.144 -8.659 1.00 0.00 C ATOM 333 O ALA A 21 -7.361 1.869 -9.633 1.00 0.00 O ATOM 334 CB ALA A 21 -9.323 1.704 -7.269 1.00 0.00 C ATOM 0 H ALA A 21 -8.558 -0.346 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.288 0.235 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.542 2.543 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.251 1.331 -6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.657 2.034 -6.472 1.00 0.00 H new ATOM 340 N ASN A 22 -6.226 0.847 -8.059 1.00 0.00 N ATOM 341 CA ASN A 22 -4.940 1.402 -8.571 1.00 0.00 C ATOM 342 C ASN A 22 -4.232 0.400 -9.491 1.00 0.00 C ATOM 343 O ASN A 22 -3.021 0.305 -9.511 1.00 0.00 O ATOM 344 CB ASN A 22 -4.054 1.756 -7.371 1.00 0.00 C ATOM 345 CG ASN A 22 -4.847 2.706 -6.464 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.241 3.773 -6.893 1.00 0.00 O ATOM 347 ND2 ASN A 22 -5.107 2.375 -5.224 1.00 0.00 N ATOM 0 H ASN A 22 -6.145 0.246 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.139 2.296 -9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.772 0.855 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.131 2.229 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.636 3.010 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.780 1.482 -4.855 1.00 0.00 H new ATOM 354 N ASN A 23 -4.982 -0.320 -10.279 1.00 0.00 N ATOM 355 CA ASN A 23 -4.368 -1.290 -11.236 1.00 0.00 C ATOM 356 C ASN A 23 -3.481 -2.309 -10.512 1.00 0.00 C ATOM 357 O ASN A 23 -2.326 -2.480 -10.845 1.00 0.00 O ATOM 358 CB ASN A 23 -3.521 -0.522 -12.252 1.00 0.00 C ATOM 359 CG ASN A 23 -2.839 -1.510 -13.200 1.00 0.00 C ATOM 360 OD1 ASN A 23 -1.830 -1.196 -13.800 1.00 0.00 O ATOM 361 ND2 ASN A 23 -3.350 -2.700 -13.361 1.00 0.00 N ATOM 0 H ASN A 23 -6.001 -0.279 -10.303 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.172 -1.831 -11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.149 0.167 -12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.772 0.079 -11.736 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.902 -3.366 -13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.197 -2.964 -12.857 1.00 0.00 H new ATOM 368 N VAL A 24 -4.014 -3.008 -9.550 1.00 0.00 N ATOM 369 CA VAL A 24 -3.203 -4.035 -8.835 1.00 0.00 C ATOM 370 C VAL A 24 -4.127 -5.187 -8.442 1.00 0.00 C ATOM 371 O VAL A 24 -5.264 -4.976 -8.066 1.00 0.00 O ATOM 372 CB VAL A 24 -2.563 -3.422 -7.591 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.572 -4.421 -6.988 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.818 -2.144 -7.983 1.00 0.00 C ATOM 0 H VAL A 24 -4.977 -2.913 -9.227 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.406 -4.402 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.336 -3.186 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.113 -3.987 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.098 -5.336 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.798 -4.653 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.360 -1.704 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.043 -2.383 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.520 -1.433 -8.420 1.00 0.00 H new ATOM 384 N THR A 25 -3.673 -6.407 -8.551 1.00 0.00 N ATOM 385 CA THR A 25 -4.553 -7.546 -8.213 1.00 0.00 C ATOM 386 C THR A 25 -4.481 -7.881 -6.725 1.00 0.00 C ATOM 387 O THR A 25 -3.521 -7.592 -6.038 1.00 0.00 O ATOM 388 CB THR A 25 -4.130 -8.769 -9.008 1.00 0.00 C ATOM 389 OG1 THR A 25 -2.830 -8.563 -9.544 1.00 0.00 O ATOM 390 CG2 THR A 25 -5.124 -9.019 -10.142 1.00 0.00 C ATOM 0 H THR A 25 -2.733 -6.657 -8.859 1.00 0.00 H new ATOM 0 HA THR A 25 -5.576 -7.263 -8.460 1.00 0.00 H new ATOM 0 HB THR A 25 -4.114 -9.638 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.558 -9.354 -10.055 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.816 -9.897 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.117 -9.186 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.149 -8.152 -10.802 1.00 0.00 H new ATOM 398 N LEU A 26 -5.521 -8.492 -6.243 1.00 0.00 N ATOM 399 CA LEU A 26 -5.617 -8.882 -4.820 1.00 0.00 C ATOM 400 C LEU A 26 -5.965 -10.378 -4.741 1.00 0.00 C ATOM 401 O LEU A 26 -7.052 -10.772 -5.113 1.00 0.00 O ATOM 402 CB LEU A 26 -6.731 -8.052 -4.177 1.00 0.00 C ATOM 403 CG LEU A 26 -6.310 -6.583 -4.142 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.626 -5.899 -5.442 1.00 0.00 C ATOM 405 CD2 LEU A 26 -7.031 -5.859 -3.001 1.00 0.00 C ATOM 0 H LEU A 26 -6.337 -8.745 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.675 -8.705 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.656 -8.164 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.930 -8.410 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.233 -6.546 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.316 -4.855 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.093 -6.395 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.699 -5.950 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.725 -4.813 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.108 -5.920 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.773 -6.329 -2.052 1.00 0.00 H new ATOM 417 N PRO A 27 -5.022 -11.172 -4.291 1.00 0.00 N ATOM 418 CA PRO A 27 -5.187 -12.630 -4.190 1.00 0.00 C ATOM 419 C PRO A 27 -5.781 -13.021 -2.829 1.00 0.00 C ATOM 420 O PRO A 27 -6.975 -13.191 -2.687 1.00 0.00 O ATOM 421 CB PRO A 27 -3.745 -13.145 -4.316 1.00 0.00 C ATOM 422 CG PRO A 27 -2.821 -11.969 -3.895 1.00 0.00 C ATOM 423 CD PRO A 27 -3.699 -10.703 -3.845 1.00 0.00 C ATOM 0 HA PRO A 27 -5.864 -13.039 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.585 -14.013 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.533 -13.459 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.368 -12.163 -2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.005 -11.845 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.741 -10.286 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.311 -9.922 -4.498 1.00 0.00 H new ATOM 431 N ALA A 28 -4.947 -13.181 -1.833 1.00 0.00 N ATOM 432 CA ALA A 28 -5.448 -13.578 -0.483 1.00 0.00 C ATOM 433 C ALA A 28 -6.686 -12.755 -0.112 1.00 0.00 C ATOM 434 O ALA A 28 -7.057 -11.825 -0.800 1.00 0.00 O ATOM 435 CB ALA A 28 -4.352 -13.341 0.561 1.00 0.00 C ATOM 0 H ALA A 28 -3.937 -13.053 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.716 -14.634 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.719 -13.631 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.475 -13.938 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.081 -12.285 0.571 1.00 0.00 H new ATOM 441 N GLY A 29 -7.321 -13.093 0.980 1.00 0.00 N ATOM 442 CA GLY A 29 -8.534 -12.329 1.409 1.00 0.00 C ATOM 443 C GLY A 29 -8.157 -11.399 2.563 1.00 0.00 C ATOM 444 O GLY A 29 -7.648 -10.316 2.352 1.00 0.00 O ATOM 0 H GLY A 29 -7.054 -13.863 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.929 -11.751 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.320 -13.016 1.721 1.00 0.00 H new ATOM 448 N GLU A 30 -8.390 -11.809 3.783 1.00 0.00 N ATOM 449 CA GLU A 30 -8.024 -10.935 4.933 1.00 0.00 C ATOM 450 C GLU A 30 -6.604 -10.404 4.692 1.00 0.00 C ATOM 451 O GLU A 30 -6.406 -9.225 4.471 1.00 0.00 O ATOM 452 CB GLU A 30 -8.121 -11.745 6.245 1.00 0.00 C ATOM 453 CG GLU A 30 -6.991 -11.365 7.213 1.00 0.00 C ATOM 454 CD GLU A 30 -6.983 -9.849 7.420 1.00 0.00 C ATOM 455 OE1 GLU A 30 -7.922 -9.206 6.980 1.00 0.00 O ATOM 456 OE2 GLU A 30 -6.036 -9.358 8.012 1.00 0.00 O ATOM 0 H GLU A 30 -8.814 -12.703 4.030 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.706 -10.089 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.086 -11.563 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.071 -12.811 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.130 -11.872 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.031 -11.693 6.815 1.00 0.00 H new ATOM 463 N GLN A 31 -5.620 -11.262 4.690 1.00 0.00 N ATOM 464 CA GLN A 31 -4.238 -10.800 4.414 1.00 0.00 C ATOM 465 C GLN A 31 -3.266 -11.970 4.505 1.00 0.00 C ATOM 466 O GLN A 31 -3.190 -12.669 5.497 1.00 0.00 O ATOM 467 CB GLN A 31 -3.814 -9.700 5.398 1.00 0.00 C ATOM 468 CG GLN A 31 -2.293 -9.478 5.357 1.00 0.00 C ATOM 469 CD GLN A 31 -1.650 -10.267 6.500 1.00 0.00 C ATOM 470 OE1 GLN A 31 -1.444 -11.457 6.392 1.00 0.00 O ATOM 471 NE2 GLN A 31 -1.325 -9.648 7.600 1.00 0.00 N ATOM 0 H GLN A 31 -5.717 -12.262 4.868 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.218 -10.387 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.327 -8.770 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.118 -9.974 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.889 -9.805 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.063 -8.417 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.498 -8.647 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.898 -10.165 8.369 1.00 0.00 H new ATOM 480 N ARG A 32 -2.513 -12.162 3.472 1.00 0.00 N ATOM 481 CA ARG A 32 -1.512 -13.230 3.430 1.00 0.00 C ATOM 482 C ARG A 32 -0.525 -13.007 4.578 1.00 0.00 C ATOM 483 O ARG A 32 -0.392 -13.814 5.476 1.00 0.00 O ATOM 484 CB ARG A 32 -0.801 -13.074 2.086 1.00 0.00 C ATOM 485 CG ARG A 32 -1.112 -14.237 1.147 1.00 0.00 C ATOM 486 CD ARG A 32 -0.062 -14.277 0.031 1.00 0.00 C ATOM 487 NE ARG A 32 0.541 -15.639 -0.034 1.00 0.00 N ATOM 488 CZ ARG A 32 0.352 -16.387 -1.085 1.00 0.00 C ATOM 489 NH1 ARG A 32 0.600 -15.916 -2.276 1.00 0.00 N ATOM 490 NH2 ARG A 32 -0.089 -17.608 -0.946 1.00 0.00 N ATOM 0 H ARG A 32 -2.558 -11.596 2.625 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.946 -14.225 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.106 -12.137 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.275 -13.014 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.109 -15.177 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.109 -14.120 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.521 -14.025 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.712 -13.533 0.218 1.00 0.00 H new ATOM 0 HE ARG A 32 1.102 -15.986 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.942 -14.961 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.452 -16.502 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.286 -17.976 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.237 -18.193 -1.768 1.00 0.00 H new ATOM 504 N LYS A 33 0.157 -11.894 4.548 1.00 0.00 N ATOM 505 CA LYS A 33 1.137 -11.561 5.619 1.00 0.00 C ATOM 506 C LYS A 33 1.785 -10.224 5.264 1.00 0.00 C ATOM 507 O LYS A 33 2.837 -10.186 4.656 1.00 0.00 O ATOM 508 CB LYS A 33 2.209 -12.649 5.694 1.00 0.00 C ATOM 509 CG LYS A 33 3.313 -12.212 6.659 1.00 0.00 C ATOM 510 CD LYS A 33 2.755 -12.155 8.082 1.00 0.00 C ATOM 511 CE LYS A 33 3.894 -11.889 9.067 1.00 0.00 C ATOM 512 NZ LYS A 33 3.704 -12.727 10.285 1.00 0.00 N ATOM 0 H LYS A 33 0.074 -11.191 3.814 1.00 0.00 H new ATOM 0 HA LYS A 33 0.637 -11.497 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.767 -13.587 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.628 -12.831 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.149 -12.910 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.698 -11.234 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.004 -11.369 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.260 -13.094 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.853 -12.118 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.915 -10.834 9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.479 -12.546 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.796 -12.488 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.705 -13.732 10.018 1.00 0.00 H new ATOM 526 N ASP A 34 1.168 -9.120 5.602 1.00 0.00 N ATOM 527 CA ASP A 34 1.783 -7.815 5.223 1.00 0.00 C ATOM 528 C ASP A 34 1.938 -7.800 3.703 1.00 0.00 C ATOM 529 O ASP A 34 2.849 -7.206 3.163 1.00 0.00 O ATOM 530 CB ASP A 34 3.165 -7.688 5.881 1.00 0.00 C ATOM 531 CG ASP A 34 3.226 -6.394 6.693 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.245 -6.080 7.346 1.00 0.00 O ATOM 533 OD2 ASP A 34 4.254 -5.738 6.648 1.00 0.00 O ATOM 0 H ASP A 34 0.286 -9.066 6.112 1.00 0.00 H new ATOM 0 HA ASP A 34 1.158 -6.985 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.352 -8.545 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.944 -7.689 5.119 1.00 0.00 H new ATOM 538 N VAL A 35 1.053 -8.472 3.011 1.00 0.00 N ATOM 539 CA VAL A 35 1.145 -8.525 1.531 1.00 0.00 C ATOM 540 C VAL A 35 0.639 -7.238 0.919 1.00 0.00 C ATOM 541 O VAL A 35 1.239 -6.694 0.042 1.00 0.00 O ATOM 542 CB VAL A 35 0.283 -9.655 0.992 1.00 0.00 C ATOM 543 CG1 VAL A 35 -1.172 -9.394 1.322 1.00 0.00 C ATOM 544 CG2 VAL A 35 0.437 -9.712 -0.524 1.00 0.00 C ATOM 0 H VAL A 35 0.270 -8.986 3.414 1.00 0.00 H new ATOM 0 HA VAL A 35 2.192 -8.681 1.272 1.00 0.00 H new ATOM 0 HB VAL A 35 0.596 -10.596 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.785 -10.207 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.294 -9.332 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.485 -8.454 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.177 -10.520 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.117 -8.765 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.482 -9.892 -0.777 1.00 0.00 H new ATOM 554 N TYR A 36 -0.481 -6.766 1.337 1.00 0.00 N ATOM 555 CA TYR A 36 -1.023 -5.550 0.737 1.00 0.00 C ATOM 556 C TYR A 36 -0.156 -4.367 1.112 1.00 0.00 C ATOM 557 O TYR A 36 -0.107 -3.377 0.416 1.00 0.00 O ATOM 558 CB TYR A 36 -2.415 -5.406 1.273 1.00 0.00 C ATOM 559 CG TYR A 36 -3.193 -6.603 0.829 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.644 -6.691 -0.486 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.476 -7.615 1.739 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.387 -7.794 -0.896 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.224 -8.717 1.341 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.686 -8.812 0.020 1.00 0.00 C ATOM 565 OH TYR A 36 -5.427 -9.907 -0.376 1.00 0.00 O ATOM 0 H TYR A 36 -1.049 -7.178 2.078 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.039 -5.598 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.402 -5.339 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.876 -4.490 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.417 -5.902 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.115 -7.545 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.732 -7.865 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.450 -9.500 2.049 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.337 -9.833 -0.019 1.00 0.00 H new ATOM 575 N VAL A 37 0.550 -4.474 2.191 1.00 0.00 N ATOM 576 CA VAL A 37 1.440 -3.368 2.593 1.00 0.00 C ATOM 577 C VAL A 37 2.723 -3.483 1.757 1.00 0.00 C ATOM 578 O VAL A 37 3.253 -2.508 1.263 1.00 0.00 O ATOM 579 CB VAL A 37 1.737 -3.490 4.091 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.830 -2.492 4.483 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.460 -3.189 4.885 1.00 0.00 C ATOM 0 H VAL A 37 0.549 -5.282 2.813 1.00 0.00 H new ATOM 0 HA VAL A 37 0.981 -2.395 2.420 1.00 0.00 H new ATOM 0 HB VAL A 37 2.078 -4.501 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.039 -2.581 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.737 -2.704 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.494 -1.479 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.666 -3.275 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.122 -2.177 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.317 -3.901 4.608 1.00 0.00 H new ATOM 591 N GLN A 38 3.197 -4.682 1.552 1.00 0.00 N ATOM 592 CA GLN A 38 4.394 -4.877 0.706 1.00 0.00 C ATOM 593 C GLN A 38 3.972 -4.592 -0.734 1.00 0.00 C ATOM 594 O GLN A 38 4.362 -3.605 -1.325 1.00 0.00 O ATOM 595 CB GLN A 38 4.837 -6.331 0.840 1.00 0.00 C ATOM 596 CG GLN A 38 5.202 -6.632 2.297 1.00 0.00 C ATOM 597 CD GLN A 38 6.701 -6.419 2.501 1.00 0.00 C ATOM 598 OE1 GLN A 38 7.166 -5.299 2.572 1.00 0.00 O ATOM 599 NE2 GLN A 38 7.485 -7.457 2.599 1.00 0.00 N ATOM 0 H GLN A 38 2.799 -5.537 1.940 1.00 0.00 H new ATOM 0 HA GLN A 38 5.215 -4.222 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.038 -6.996 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.695 -6.520 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.637 -5.983 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.932 -7.658 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.095 -8.398 2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.488 -7.328 2.735 1.00 0.00 H new ATOM 608 N LEU A 39 3.140 -5.454 -1.271 1.00 0.00 N ATOM 609 CA LEU A 39 2.598 -5.283 -2.666 1.00 0.00 C ATOM 610 C LEU A 39 2.526 -3.791 -2.983 1.00 0.00 C ATOM 611 O LEU A 39 3.089 -3.315 -3.947 1.00 0.00 O ATOM 612 CB LEU A 39 1.169 -5.886 -2.744 1.00 0.00 C ATOM 613 CG LEU A 39 1.209 -7.267 -3.395 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.116 -7.987 -3.129 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.393 -7.097 -4.901 1.00 0.00 C ATOM 0 H LEU A 39 2.804 -6.290 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 39 3.247 -5.791 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.744 -5.961 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.519 -5.225 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 39 2.033 -7.850 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.093 -8.974 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.263 -8.093 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.936 -7.407 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.423 -8.077 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.561 -6.522 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.327 -6.570 -5.096 1.00 0.00 H new ATOM 627 N TYR A 40 1.849 -3.050 -2.154 1.00 0.00 N ATOM 628 CA TYR A 40 1.730 -1.594 -2.361 1.00 0.00 C ATOM 629 C TYR A 40 3.116 -0.967 -2.577 1.00 0.00 C ATOM 630 O TYR A 40 3.369 -0.341 -3.579 1.00 0.00 O ATOM 631 CB TYR A 40 1.044 -1.021 -1.108 1.00 0.00 C ATOM 632 CG TYR A 40 1.872 0.067 -0.452 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.254 1.213 -1.163 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.257 -0.084 0.877 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.014 2.202 -0.538 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.018 0.904 1.500 1.00 0.00 C ATOM 637 CZ TYR A 40 3.392 2.047 0.794 1.00 0.00 C ATOM 638 OH TYR A 40 4.145 3.023 1.413 1.00 0.00 O ATOM 0 H TYR A 40 1.366 -3.405 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 40 1.143 -1.368 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.069 -0.619 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.868 -1.824 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.960 1.330 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.966 -0.967 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.309 3.085 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.318 0.784 2.530 1.00 0.00 H new ATOM 0 HH TYR A 40 4.023 3.876 0.946 1.00 0.00 H new ATOM 648 N LEU A 41 4.004 -1.090 -1.632 1.00 0.00 N ATOM 649 CA LEU A 41 5.335 -0.451 -1.797 1.00 0.00 C ATOM 650 C LEU A 41 6.027 -0.985 -3.064 1.00 0.00 C ATOM 651 O LEU A 41 6.923 -0.363 -3.596 1.00 0.00 O ATOM 652 CB LEU A 41 6.188 -0.753 -0.552 1.00 0.00 C ATOM 653 CG LEU A 41 6.970 0.498 -0.110 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.053 1.467 0.658 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.120 0.069 0.805 1.00 0.00 C ATOM 0 H LEU A 41 3.867 -1.601 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 41 5.216 0.627 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.546 -1.092 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.883 -1.564 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 41 7.355 1.004 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.624 2.344 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.229 1.775 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.656 0.968 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.680 0.949 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.718 -0.441 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.783 -0.606 0.264 1.00 0.00 H new ATOM 667 N GLN A 42 5.630 -2.132 -3.548 1.00 0.00 N ATOM 668 CA GLN A 42 6.292 -2.701 -4.766 1.00 0.00 C ATOM 669 C GLN A 42 5.817 -2.008 -6.058 1.00 0.00 C ATOM 670 O GLN A 42 6.594 -1.382 -6.749 1.00 0.00 O ATOM 671 CB GLN A 42 5.991 -4.197 -4.850 1.00 0.00 C ATOM 672 CG GLN A 42 7.254 -4.952 -5.278 1.00 0.00 C ATOM 673 CD GLN A 42 7.888 -4.248 -6.479 1.00 0.00 C ATOM 674 OE1 GLN A 42 7.546 -4.527 -7.612 1.00 0.00 O ATOM 675 NE2 GLN A 42 8.803 -3.339 -6.280 1.00 0.00 N ATOM 0 H GLN A 42 4.879 -2.700 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 42 7.365 -2.532 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.646 -4.564 -3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.188 -4.377 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.963 -4.993 -4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.005 -5.981 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.091 -3.104 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.231 -2.863 -7.075 1.00 0.00 H new ATOM 684 N HIS A 43 4.562 -2.134 -6.402 1.00 0.00 N ATOM 685 CA HIS A 43 4.060 -1.501 -7.664 1.00 0.00 C ATOM 686 C HIS A 43 3.793 -0.031 -7.434 1.00 0.00 C ATOM 687 O HIS A 43 3.960 0.795 -8.309 1.00 0.00 O ATOM 688 CB HIS A 43 2.734 -2.141 -8.064 1.00 0.00 C ATOM 689 CG HIS A 43 2.751 -3.590 -7.708 1.00 0.00 C ATOM 690 ND1 HIS A 43 3.153 -4.576 -8.594 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.416 -4.230 -6.553 1.00 0.00 C ATOM 692 CE1 HIS A 43 3.050 -5.754 -7.955 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.604 -5.599 -6.705 1.00 0.00 N ATOM 0 H HIS A 43 3.861 -2.647 -5.866 1.00 0.00 H new ATOM 0 HA HIS A 43 4.813 -1.639 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.909 -1.641 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.569 -2.021 -9.135 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.469 -4.434 -9.554 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.059 -3.747 -5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.297 -6.708 -8.397 1.00 0.00 H new ATOM 701 N LEU A 44 3.346 0.297 -6.268 1.00 0.00 N ATOM 702 CA LEU A 44 3.028 1.709 -5.979 1.00 0.00 C ATOM 703 C LEU A 44 4.287 2.425 -5.469 1.00 0.00 C ATOM 704 O LEU A 44 4.388 3.633 -5.544 1.00 0.00 O ATOM 705 CB LEU A 44 1.901 1.780 -4.939 1.00 0.00 C ATOM 706 CG LEU A 44 0.588 1.087 -5.424 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.569 2.012 -5.125 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.559 0.856 -6.933 1.00 0.00 C ATOM 0 H LEU A 44 3.186 -0.353 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 44 2.691 2.206 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.235 1.309 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.691 2.824 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 44 0.528 0.126 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.499 1.550 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.617 2.199 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.426 2.956 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.378 0.372 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.639 1.813 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.395 0.218 -7.220 1.00 0.00 H new ATOM 720 N THR A 45 5.265 1.698 -4.982 1.00 0.00 N ATOM 721 CA THR A 45 6.515 2.359 -4.515 1.00 0.00 C ATOM 722 C THR A 45 6.205 3.583 -3.661 1.00 0.00 C ATOM 723 O THR A 45 7.021 4.473 -3.530 1.00 0.00 O ATOM 724 CB THR A 45 7.305 2.810 -5.736 1.00 0.00 C ATOM 725 OG1 THR A 45 6.468 2.752 -6.883 1.00 0.00 O ATOM 726 CG2 THR A 45 8.504 1.885 -5.931 1.00 0.00 C ATOM 0 H THR A 45 5.248 0.682 -4.890 1.00 0.00 H new ATOM 0 HA THR A 45 7.083 1.649 -3.913 1.00 0.00 H new ATOM 0 HB THR A 45 7.655 3.832 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.972 3.043 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.072 2.205 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.142 1.926 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.155 0.863 -6.080 1.00 0.00 H new ATOM 734 N ALA A 46 5.042 3.657 -3.093 1.00 0.00 N ATOM 735 CA ALA A 46 4.711 4.845 -2.275 1.00 0.00 C ATOM 736 C ALA A 46 5.090 6.091 -3.064 1.00 0.00 C ATOM 737 O ALA A 46 5.825 6.936 -2.596 1.00 0.00 O ATOM 738 CB ALA A 46 5.486 4.828 -0.960 1.00 0.00 C ATOM 0 H ALA A 46 4.310 2.950 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 46 3.645 4.840 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.228 5.710 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.228 3.931 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.556 4.831 -1.168 1.00 0.00 H new ATOM 744 N ARG A 47 4.563 6.186 -4.253 1.00 0.00 N ATOM 745 CA ARG A 47 4.806 7.349 -5.163 1.00 0.00 C ATOM 746 C ARG A 47 5.430 8.530 -4.407 1.00 0.00 C ATOM 747 O ARG A 47 6.630 8.717 -4.418 1.00 0.00 O ATOM 748 CB ARG A 47 3.434 7.792 -5.706 1.00 0.00 C ATOM 749 CG ARG A 47 2.301 7.047 -4.976 1.00 0.00 C ATOM 750 CD ARG A 47 1.899 5.780 -5.748 1.00 0.00 C ATOM 751 NE ARG A 47 2.788 5.570 -6.923 1.00 0.00 N ATOM 752 CZ ARG A 47 2.303 5.080 -8.032 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.348 5.709 -8.661 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.772 3.960 -8.510 1.00 0.00 N ATOM 0 H ARG A 47 3.947 5.476 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 47 5.492 7.052 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.314 8.867 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.378 7.593 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.624 6.779 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.437 7.703 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.952 4.915 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.864 5.865 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 47 3.778 5.809 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.980 6.584 -8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.969 5.326 -9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.517 3.468 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.393 3.577 -9.376 1.00 0.00 H new ATOM 768 N ASN A 48 4.634 9.319 -3.743 1.00 0.00 N ATOM 769 CA ASN A 48 5.203 10.479 -2.977 1.00 0.00 C ATOM 770 C ASN A 48 5.733 9.975 -1.632 1.00 0.00 C ATOM 771 O ASN A 48 5.116 10.162 -0.602 1.00 0.00 O ATOM 772 CB ASN A 48 4.128 11.556 -2.732 1.00 0.00 C ATOM 773 CG ASN A 48 2.890 11.232 -3.543 1.00 0.00 C ATOM 774 OD1 ASN A 48 1.795 11.170 -3.022 1.00 0.00 O ATOM 775 ND2 ASN A 48 3.028 11.025 -4.817 1.00 0.00 N ATOM 0 H ASN A 48 3.620 9.218 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 48 6.010 10.924 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.879 11.601 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.512 12.537 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.212 10.808 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.952 11.079 -5.245 1.00 0.00 H new ATOM 782 N ARG A 49 6.867 9.323 -1.645 1.00 0.00 N ATOM 783 CA ARG A 49 7.449 8.782 -0.374 1.00 0.00 C ATOM 784 C ARG A 49 7.205 9.738 0.780 1.00 0.00 C ATOM 785 O ARG A 49 7.079 10.930 0.577 1.00 0.00 O ATOM 786 CB ARG A 49 8.959 8.642 -0.490 1.00 0.00 C ATOM 787 CG ARG A 49 9.314 7.500 -1.444 1.00 0.00 C ATOM 788 CD ARG A 49 10.824 7.505 -1.701 1.00 0.00 C ATOM 789 NE ARG A 49 11.416 6.234 -1.193 1.00 0.00 N ATOM 790 CZ ARG A 49 12.658 6.208 -0.792 1.00 0.00 C ATOM 791 NH1 ARG A 49 13.134 7.194 -0.081 1.00 0.00 N ATOM 792 NH2 ARG A 49 13.422 5.195 -1.098 1.00 0.00 N ATOM 0 H ARG A 49 7.419 9.140 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 49 6.973 7.818 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.391 9.575 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.390 8.451 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.010 6.545 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.773 7.614 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.022 7.611 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.286 8.358 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 49 10.851 5.386 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.536 7.984 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.104 7.175 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.049 4.423 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.392 5.175 -0.784 1.00 0.00 H new ATOM 806 N PRO A 50 7.190 9.198 1.971 1.00 0.00 N ATOM 807 CA PRO A 50 7.019 10.007 3.171 1.00 0.00 C ATOM 808 C PRO A 50 8.369 10.602 3.595 1.00 0.00 C ATOM 809 O PRO A 50 9.338 9.881 3.718 1.00 0.00 O ATOM 810 CB PRO A 50 6.522 9.007 4.217 1.00 0.00 C ATOM 811 CG PRO A 50 6.995 7.612 3.736 1.00 0.00 C ATOM 812 CD PRO A 50 7.312 7.744 2.232 1.00 0.00 C ATOM 0 HA PRO A 50 6.334 10.844 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.929 9.238 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.436 9.042 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.877 7.290 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.222 6.862 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.313 7.379 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.614 7.169 1.624 1.00 0.00 H new ATOM 820 N PRO A 51 8.397 11.896 3.813 1.00 0.00 N ATOM 821 CA PRO A 51 9.621 12.592 4.234 1.00 0.00 C ATOM 822 C PRO A 51 9.880 12.374 5.732 1.00 0.00 C ATOM 823 O PRO A 51 10.745 12.997 6.316 1.00 0.00 O ATOM 824 CB PRO A 51 9.325 14.064 3.934 1.00 0.00 C ATOM 825 CG PRO A 51 7.786 14.196 3.900 1.00 0.00 C ATOM 826 CD PRO A 51 7.228 12.780 3.659 1.00 0.00 C ATOM 0 HA PRO A 51 10.513 12.232 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.754 14.711 4.699 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.762 14.363 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.411 14.606 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.473 14.876 3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.446 12.533 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.789 12.689 2.665 1.00 0.00 H new ATOM 834 N LEU A 52 9.142 11.492 6.356 1.00 0.00 N ATOM 835 CA LEU A 52 9.349 11.233 7.812 1.00 0.00 C ATOM 836 C LEU A 52 9.119 12.527 8.602 1.00 0.00 C ATOM 837 O LEU A 52 9.417 13.603 8.125 1.00 0.00 O ATOM 838 CB LEU A 52 10.781 10.737 8.053 1.00 0.00 C ATOM 839 CG LEU A 52 11.135 9.601 7.076 1.00 0.00 C ATOM 840 CD1 LEU A 52 9.897 8.740 6.781 1.00 0.00 C ATOM 841 CD2 LEU A 52 11.662 10.203 5.769 1.00 0.00 C ATOM 0 H LEU A 52 8.404 10.940 5.919 1.00 0.00 H new ATOM 0 HA LEU A 52 8.642 10.472 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.483 11.562 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.881 10.385 9.080 1.00 0.00 H new ATOM 0 HG LEU A 52 11.900 8.970 7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.165 7.942 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.526 8.306 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.120 9.361 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.914 9.401 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.896 10.839 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.552 10.797 5.975 1.00 0.00 H new ATOM 853 N PRO A 53 8.597 12.380 9.794 1.00 0.00 N ATOM 854 CA PRO A 53 8.318 13.522 10.683 1.00 0.00 C ATOM 855 C PRO A 53 9.601 14.016 11.344 1.00 0.00 C ATOM 856 O PRO A 53 9.572 14.878 12.199 1.00 0.00 O ATOM 857 CB PRO A 53 7.355 12.945 11.722 1.00 0.00 C ATOM 858 CG PRO A 53 7.581 11.413 11.720 1.00 0.00 C ATOM 859 CD PRO A 53 8.233 11.066 10.367 1.00 0.00 C ATOM 0 HA PRO A 53 7.903 14.380 10.155 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.550 13.366 12.709 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.322 13.186 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.224 11.115 12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.637 10.882 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.110 10.432 10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.543 10.526 9.719 1.00 0.00 H new ATOM 867 N ALA A 54 10.726 13.493 10.951 1.00 0.00 N ATOM 868 CA ALA A 54 11.996 13.962 11.559 1.00 0.00 C ATOM 869 C ALA A 54 12.102 13.447 12.994 1.00 0.00 C ATOM 870 O ALA A 54 12.083 14.208 13.942 1.00 0.00 O ATOM 871 CB ALA A 54 11.989 15.484 11.562 1.00 0.00 C ATOM 0 H ALA A 54 10.820 12.767 10.241 1.00 0.00 H new ATOM 0 HA ALA A 54 12.846 13.589 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.915 15.851 12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.907 15.849 10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.140 15.843 12.145 1.00 0.00 H new ATOM 877 N GLY A 55 12.212 12.162 13.158 1.00 0.00 N ATOM 878 CA GLY A 55 12.320 11.590 14.531 1.00 0.00 C ATOM 879 C GLY A 55 12.850 10.158 14.450 1.00 0.00 C ATOM 880 O GLY A 55 12.438 9.290 15.194 1.00 0.00 O ATOM 0 H GLY A 55 12.232 11.479 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.987 12.201 15.139 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.345 11.601 15.018 1.00 0.00 H new ATOM 884 N THR A 56 13.762 9.901 13.552 1.00 0.00 N ATOM 885 CA THR A 56 14.317 8.524 13.425 1.00 0.00 C ATOM 886 C THR A 56 14.606 7.960 14.818 1.00 0.00 C ATOM 887 O THR A 56 14.657 6.748 14.945 1.00 0.00 O ATOM 888 CB THR A 56 15.615 8.569 12.614 1.00 0.00 C ATOM 889 OG1 THR A 56 16.099 7.246 12.427 1.00 0.00 O ATOM 890 CG2 THR A 56 16.661 9.396 13.367 1.00 0.00 C ATOM 891 OXT THR A 56 14.772 8.750 15.732 1.00 0.00 O ATOM 0 H THR A 56 14.147 10.586 12.901 1.00 0.00 H new ATOM 0 HA THR A 56 13.593 7.886 12.917 1.00 0.00 H new ATOM 0 HB THR A 56 15.423 9.027 11.644 1.00 0.00 H new ATOM 0 HG1 THR A 56 16.929 7.272 11.907 1.00 0.00 H new ATOM 0 HG21 THR A 56 17.585 9.428 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.288 10.410 13.511 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.856 8.940 14.338 1.00 0.00 H new TER 899 THR A 56