USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 7 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.87) USER MOD Single : A 11 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 94:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.83) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0908 K(o=-0.091,f=-2.3!) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0158) USER MOD Single : B 10 ASN : amide:sc= -2.04 K(o=-2,f=-2.7!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= -2.71 X(o=-2.7,f=-2.9) USER MOD Single : B 14 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : B 15 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.4) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.22) USER MOD Single : B 24 ASN : amide:sc= -2.49 K(o=-2.5,f=-11!) USER MOD Single : B 29 GLN : amide:sc=-0.00157 K(o=-0.0016,f=-0.61) USER MOD Single : B 30 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.34) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 2.879 25.319 -0.928 1.00 0.00 C HETATM 2 O ACE A 2 3.943 25.015 -1.468 1.00 0.00 O HETATM 3 CH3 ACE A 2 2.352 26.749 -0.978 1.00 0.00 C HETATM 0 H1 ACE A 2 1.379 26.761 -1.470 1.00 0.00 H new HETATM 0 H2 ACE A 2 2.251 27.135 0.036 1.00 0.00 H new HETATM 0 H3 ACE A 2 3.049 27.374 -1.536 1.00 0.00 H new ATOM 7 N CYS A 3 2.118 24.444 -0.275 1.00 0.00 N ATOM 8 CA CYS A 3 2.511 23.041 -0.156 1.00 0.00 C ATOM 9 C CYS A 3 3.852 22.919 0.566 1.00 0.00 C ATOM 10 O CYS A 3 4.903 22.773 -0.062 1.00 0.00 O ATOM 11 CB CYS A 3 2.627 22.396 -1.539 1.00 0.00 C ATOM 12 SG CYS A 3 0.981 21.911 -2.118 1.00 0.00 S ATOM 0 H CYS A 3 1.234 24.678 0.176 1.00 0.00 H new ATOM 0 HA CYS A 3 1.742 22.526 0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.080 23.096 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.279 21.524 -1.492 1.00 0.00 H new ATOM 17 N GLY A 4 3.804 22.982 1.894 1.00 0.00 N ATOM 18 CA GLY A 4 5.018 22.879 2.697 1.00 0.00 C ATOM 19 C GLY A 4 4.956 21.662 3.615 1.00 0.00 C ATOM 20 O GLY A 4 5.659 20.673 3.408 1.00 0.00 O ATOM 0 H GLY A 4 2.946 23.103 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.887 22.804 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.144 23.783 3.292 1.00 0.00 H new ATOM 24 N GLY A 5 4.103 21.746 4.630 1.00 0.00 N ATOM 25 CA GLY A 5 3.950 20.645 5.578 1.00 0.00 C ATOM 26 C GLY A 5 3.468 19.384 4.869 1.00 0.00 C ATOM 27 O GLY A 5 3.800 18.267 5.264 1.00 0.00 O ATOM 0 H GLY A 5 3.512 22.556 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.902 20.449 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.239 20.925 6.356 1.00 0.00 H new ATOM 31 N VAL A 6 2.681 19.578 3.815 1.00 0.00 N ATOM 32 CA VAL A 6 2.154 18.450 3.049 1.00 0.00 C ATOM 33 C VAL A 6 3.295 17.642 2.436 1.00 0.00 C ATOM 34 O VAL A 6 3.189 16.429 2.261 1.00 0.00 O ATOM 35 CB VAL A 6 1.232 18.943 1.929 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.540 17.748 1.273 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.174 19.883 2.515 1.00 0.00 C ATOM 0 H VAL A 6 2.395 20.496 3.473 1.00 0.00 H new ATOM 0 HA VAL A 6 1.586 17.817 3.731 1.00 0.00 H new ATOM 0 HB VAL A 6 1.822 19.476 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.116 18.100 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.291 17.077 0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.049 17.214 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.482 20.234 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.414 19.349 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.665 20.736 2.983 1.00 0.00 H new ATOM 47 N GLN A 7 4.388 18.328 2.111 1.00 0.00 N ATOM 48 CA GLN A 7 5.546 17.665 1.517 1.00 0.00 C ATOM 49 C GLN A 7 6.098 16.601 2.462 1.00 0.00 C ATOM 50 O GLN A 7 6.521 15.528 2.034 1.00 0.00 O ATOM 51 CB GLN A 7 6.650 18.682 1.213 1.00 0.00 C ATOM 52 CG GLN A 7 6.212 19.582 0.057 1.00 0.00 C ATOM 53 CD GLN A 7 6.399 18.843 -1.264 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.419 18.189 -1.478 1.00 0.00 O ATOM 55 NE2 GLN A 7 5.464 18.908 -2.172 1.00 0.00 N ATOM 0 H GLN A 7 4.496 19.333 2.247 1.00 0.00 H new ATOM 0 HA GLN A 7 5.221 17.193 0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.858 19.284 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.574 18.165 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.168 19.868 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.797 20.502 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.618 19.450 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.579 18.417 -3.059 1.00 0.00 H new ATOM 64 N ALA A 8 6.087 16.915 3.755 1.00 0.00 N ATOM 65 CA ALA A 8 6.588 15.978 4.757 1.00 0.00 C ATOM 66 C ALA A 8 5.623 14.808 4.923 1.00 0.00 C ATOM 67 O ALA A 8 6.034 13.651 4.994 1.00 0.00 O ATOM 68 CB ALA A 8 6.758 16.678 6.107 1.00 0.00 C ATOM 0 H ALA A 8 5.742 17.798 4.130 1.00 0.00 H new ATOM 0 HA ALA A 8 7.554 15.607 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.132 15.965 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.467 17.499 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.796 17.069 6.438 1.00 0.00 H new ATOM 74 N GLU A 9 4.332 15.128 4.983 1.00 0.00 N ATOM 75 CA GLU A 9 3.311 14.096 5.141 1.00 0.00 C ATOM 76 C GLU A 9 3.250 13.212 3.897 1.00 0.00 C ATOM 77 O GLU A 9 3.091 11.997 3.990 1.00 0.00 O ATOM 78 CB GLU A 9 1.938 14.732 5.367 1.00 0.00 C ATOM 79 CG GLU A 9 0.937 13.649 5.779 1.00 0.00 C ATOM 80 CD GLU A 9 1.061 13.382 7.273 1.00 0.00 C ATOM 81 OE1 GLU A 9 1.214 14.337 8.017 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.004 12.224 7.655 1.00 0.00 O ATOM 0 H GLU A 9 3.972 16.081 4.925 1.00 0.00 H new ATOM 0 HA GLU A 9 3.577 13.489 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.002 15.497 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.600 15.227 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.078 13.967 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.125 12.733 5.219 1.00 0.00 H new ATOM 89 N GLU A 10 3.379 13.842 2.732 1.00 0.00 N ATOM 90 CA GLU A 10 3.338 13.107 1.473 1.00 0.00 C ATOM 91 C GLU A 10 4.537 12.170 1.363 1.00 0.00 C ATOM 92 O GLU A 10 4.444 11.079 0.802 1.00 0.00 O ATOM 93 CB GLU A 10 3.352 14.073 0.286 1.00 0.00 C ATOM 94 CG GLU A 10 2.620 13.441 -0.899 1.00 0.00 C ATOM 95 CD GLU A 10 2.297 14.515 -1.931 1.00 0.00 C ATOM 96 OE1 GLU A 10 1.783 15.549 -1.539 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.571 14.289 -3.098 1.00 0.00 O ATOM 0 H GLU A 10 3.511 14.849 2.634 1.00 0.00 H new ATOM 0 HA GLU A 10 2.417 12.524 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.873 15.012 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.379 14.309 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.238 12.664 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.702 12.961 -0.559 1.00 0.00 H new ATOM 104 N GLN A 11 5.667 12.611 1.907 1.00 0.00 N ATOM 105 CA GLN A 11 6.886 11.807 1.868 1.00 0.00 C ATOM 106 C GLN A 11 6.702 10.520 2.665 1.00 0.00 C ATOM 107 O GLN A 11 7.260 9.476 2.326 1.00 0.00 O ATOM 108 CB GLN A 11 8.063 12.591 2.452 1.00 0.00 C ATOM 109 CG GLN A 11 9.373 11.884 2.098 1.00 0.00 C ATOM 110 CD GLN A 11 10.539 12.850 2.283 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.397 14.052 2.064 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.695 12.390 2.677 1.00 0.00 N ATOM 0 H GLN A 11 5.765 13.511 2.376 1.00 0.00 H new ATOM 0 HA GLN A 11 7.094 11.562 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.068 13.607 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.960 12.669 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.509 11.008 2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.340 11.530 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.812 11.393 2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.481 13.027 2.803 1.00 0.00 H new ATOM 121 N LYS A 12 5.912 10.606 3.732 1.00 0.00 N ATOM 122 CA LYS A 12 5.658 9.441 4.576 1.00 0.00 C ATOM 123 C LYS A 12 4.623 8.527 3.929 1.00 0.00 C ATOM 124 O LYS A 12 4.715 7.302 4.016 1.00 0.00 O ATOM 125 CB LYS A 12 5.148 9.877 5.952 1.00 0.00 C ATOM 126 CG LYS A 12 6.258 10.624 6.694 1.00 0.00 C ATOM 127 CD LYS A 12 7.232 9.614 7.306 1.00 0.00 C ATOM 128 CE LYS A 12 8.465 10.350 7.834 1.00 0.00 C ATOM 129 NZ LYS A 12 9.523 10.366 6.786 1.00 0.00 N ATOM 0 H LYS A 12 5.441 11.460 4.031 1.00 0.00 H new ATOM 0 HA LYS A 12 6.597 8.900 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.274 10.519 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.833 9.007 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.787 11.286 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.829 11.251 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.746 9.069 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.527 8.878 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.200 11.370 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.837 9.859 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.361 10.866 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.782 9.389 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.166 10.853 5.939 1.00 0.00 H new ATOM 143 N LEU A 13 3.637 9.137 3.278 1.00 0.00 N ATOM 144 CA LEU A 13 2.585 8.369 2.617 1.00 0.00 C ATOM 145 C LEU A 13 3.174 7.512 1.501 1.00 0.00 C ATOM 146 O LEU A 13 2.947 6.304 1.439 1.00 0.00 O ATOM 147 CB LEU A 13 1.529 9.305 2.022 1.00 0.00 C ATOM 148 CG LEU A 13 0.541 9.719 3.114 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.324 10.875 2.607 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.356 8.531 3.467 1.00 0.00 C ATOM 0 H LEU A 13 3.544 10.149 3.194 1.00 0.00 H new ATOM 0 HA LEU A 13 2.119 7.726 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.008 10.187 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.001 8.806 1.210 1.00 0.00 H new ATOM 0 HG LEU A 13 1.091 10.036 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.028 11.171 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.313 11.722 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.874 10.557 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.060 8.825 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.906 8.214 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.258 7.706 3.827 1.00 0.00 H new ATOM 162 N ILE A 14 3.932 8.154 0.617 1.00 0.00 N ATOM 163 CA ILE A 14 4.552 7.446 -0.500 1.00 0.00 C ATOM 164 C ILE A 14 5.536 6.396 0.014 1.00 0.00 C ATOM 165 O ILE A 14 5.537 5.252 -0.440 1.00 0.00 O ATOM 166 CB ILE A 14 5.293 8.434 -1.411 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.304 9.487 -1.920 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.905 7.691 -2.605 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.054 10.559 -2.714 1.00 0.00 C ATOM 0 H ILE A 14 4.131 9.154 0.651 1.00 0.00 H new ATOM 0 HA ILE A 14 3.765 6.951 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 14 6.091 8.916 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.549 9.016 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.780 9.943 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.429 8.401 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.608 6.940 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.114 7.203 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.347 11.306 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.792 11.038 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.558 10.097 -3.563 1.00 0.00 H new ATOM 181 N SER A 15 6.382 6.802 0.957 1.00 0.00 N ATOM 182 CA SER A 15 7.377 5.890 1.517 1.00 0.00 C ATOM 183 C SER A 15 6.707 4.660 2.127 1.00 0.00 C ATOM 184 O SER A 15 7.028 3.524 1.780 1.00 0.00 O ATOM 185 CB SER A 15 8.202 6.595 2.595 1.00 0.00 C ATOM 186 OG SER A 15 8.973 7.627 1.995 1.00 0.00 O ATOM 0 H SER A 15 6.400 7.745 1.346 1.00 0.00 H new ATOM 0 HA SER A 15 8.031 5.574 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.545 7.013 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.856 5.880 3.095 1.00 0.00 H new ATOM 0 HG SER A 15 8.483 8.474 2.047 1.00 0.00 H new ATOM 192 N GLU A 16 5.770 4.901 3.039 1.00 0.00 N ATOM 193 CA GLU A 16 5.056 3.805 3.692 1.00 0.00 C ATOM 194 C GLU A 16 4.268 3.000 2.664 1.00 0.00 C ATOM 195 O GLU A 16 4.214 1.772 2.724 1.00 0.00 O ATOM 196 CB GLU A 16 4.093 4.348 4.750 1.00 0.00 C ATOM 197 CG GLU A 16 4.891 4.903 5.931 1.00 0.00 C ATOM 198 CD GLU A 16 3.994 5.807 6.770 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.512 6.791 6.235 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.804 5.503 7.936 1.00 0.00 O ATOM 0 H GLU A 16 5.488 5.834 3.341 1.00 0.00 H new ATOM 0 HA GLU A 16 5.792 3.160 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.468 5.131 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.425 3.556 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.274 4.085 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.754 5.463 5.570 1.00 0.00 H new ATOM 207 N GLU A 17 3.655 3.711 1.721 1.00 0.00 N ATOM 208 CA GLU A 17 2.869 3.057 0.677 1.00 0.00 C ATOM 209 C GLU A 17 3.771 2.218 -0.224 1.00 0.00 C ATOM 210 O GLU A 17 3.358 1.186 -0.752 1.00 0.00 O ATOM 211 CB GLU A 17 2.143 4.099 -0.176 1.00 0.00 C ATOM 212 CG GLU A 17 1.150 3.400 -1.106 1.00 0.00 C ATOM 213 CD GLU A 17 0.605 4.404 -2.115 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.233 4.578 -3.146 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.433 4.984 -1.842 1.00 0.00 O ATOM 0 H GLU A 17 3.686 4.729 1.657 1.00 0.00 H new ATOM 0 HA GLU A 17 2.138 2.410 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.619 4.808 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.864 4.671 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.640 2.576 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.333 2.971 -0.526 1.00 0.00 H new ATOM 222 N ASP A 18 5.012 2.674 -0.391 1.00 0.00 N ATOM 223 CA ASP A 18 5.969 1.958 -1.230 1.00 0.00 C ATOM 224 C ASP A 18 6.229 0.562 -0.670 1.00 0.00 C ATOM 225 O ASP A 18 6.282 -0.420 -1.410 1.00 0.00 O ATOM 226 CB ASP A 18 7.293 2.720 -1.300 1.00 0.00 C ATOM 227 CG ASP A 18 8.088 2.253 -2.515 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.646 2.514 -3.621 1.00 0.00 O ATOM 229 OD2 ASP A 18 9.123 1.639 -2.320 1.00 0.00 O ATOM 0 H ASP A 18 5.374 3.526 0.038 1.00 0.00 H new ATOM 0 HA ASP A 18 5.544 1.875 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.105 3.792 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.869 2.553 -0.390 1.00 0.00 H new ATOM 234 N LEU A 19 6.388 0.486 0.649 1.00 0.00 N ATOM 235 CA LEU A 19 6.640 -0.795 1.304 1.00 0.00 C ATOM 236 C LEU A 19 5.464 -1.742 1.086 1.00 0.00 C ATOM 237 O LEU A 19 5.628 -2.864 0.602 1.00 0.00 O ATOM 238 CB LEU A 19 6.849 -0.598 2.807 1.00 0.00 C ATOM 239 CG LEU A 19 8.321 -0.290 3.081 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.625 1.153 2.675 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.607 -0.470 4.574 1.00 0.00 C ATOM 0 H LEU A 19 6.348 1.287 1.280 1.00 0.00 H new ATOM 0 HA LEU A 19 7.541 -1.225 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.222 0.218 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.547 -1.495 3.348 1.00 0.00 H new ATOM 0 HG LEU A 19 8.949 -0.969 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.675 1.373 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.419 1.283 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.999 1.833 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.656 -0.251 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.979 0.210 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.390 -1.498 4.865 1.00 0.00 H new ATOM 253 N LEU A 20 4.272 -1.276 1.445 1.00 0.00 N ATOM 254 CA LEU A 20 3.066 -2.083 1.285 1.00 0.00 C ATOM 255 C LEU A 20 2.836 -2.407 -0.189 1.00 0.00 C ATOM 256 O LEU A 20 2.305 -3.466 -0.531 1.00 0.00 O ATOM 257 CB LEU A 20 1.847 -1.336 1.829 1.00 0.00 C ATOM 258 CG LEU A 20 1.658 -1.674 3.309 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.631 -0.723 3.923 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.162 -3.116 3.442 1.00 0.00 C ATOM 0 H LEU A 20 4.115 -0.351 1.846 1.00 0.00 H new ATOM 0 HA LEU A 20 3.202 -3.009 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.981 -0.261 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.956 -1.613 1.265 1.00 0.00 H new ATOM 0 HG LEU A 20 2.609 -1.566 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.497 -0.964 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.984 0.304 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.321 -0.830 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.027 -3.359 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.211 -3.223 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.894 -3.794 3.005 1.00 0.00 H new ATOM 272 N ARG A 21 3.243 -1.486 -1.059 1.00 0.00 N ATOM 273 CA ARG A 21 3.080 -1.683 -2.497 1.00 0.00 C ATOM 274 C ARG A 21 3.862 -2.909 -2.956 1.00 0.00 C ATOM 275 O ARG A 21 3.369 -3.721 -3.738 1.00 0.00 O ATOM 276 CB ARG A 21 3.580 -0.457 -3.265 1.00 0.00 C ATOM 277 CG ARG A 21 2.462 0.583 -3.350 1.00 0.00 C ATOM 278 CD ARG A 21 3.069 1.967 -3.586 1.00 0.00 C ATOM 279 NE ARG A 21 3.936 1.956 -4.768 1.00 0.00 N ATOM 280 CZ ARG A 21 4.444 3.083 -5.288 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.184 4.255 -4.758 1.00 0.00 N ATOM 282 NH2 ARG A 21 5.209 3.013 -6.343 1.00 0.00 N ATOM 0 H ARG A 21 3.684 -0.604 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 21 2.019 -1.830 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.450 -0.031 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.898 -0.747 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.778 0.331 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.879 0.582 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.274 2.701 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.642 2.273 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 21 4.160 1.064 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.585 4.321 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.581 5.100 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.415 2.107 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.600 3.864 -6.746 1.00 0.00 H new ATOM 296 N LYS A 22 5.091 -3.031 -2.460 1.00 0.00 N ATOM 297 CA LYS A 22 5.940 -4.162 -2.823 1.00 0.00 C ATOM 298 C LYS A 22 5.301 -5.471 -2.370 1.00 0.00 C ATOM 299 O LYS A 22 5.452 -6.508 -3.018 1.00 0.00 O ATOM 300 CB LYS A 22 7.317 -4.028 -2.171 1.00 0.00 C ATOM 301 CG LYS A 22 8.361 -4.739 -3.033 1.00 0.00 C ATOM 302 CD LYS A 22 9.681 -4.834 -2.265 1.00 0.00 C ATOM 303 CE LYS A 22 9.702 -6.125 -1.445 1.00 0.00 C ATOM 304 NZ LYS A 22 11.113 -6.547 -1.221 1.00 0.00 N ATOM 0 H LYS A 22 5.518 -2.368 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 22 6.052 -4.167 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.578 -2.975 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.301 -4.460 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.010 -5.736 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.509 -4.195 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.520 -4.818 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.795 -3.972 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.201 -5.970 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.155 -6.910 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.128 -7.425 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.576 -6.711 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.621 -5.800 -0.705 1.00 0.00 H new ATOM 318 N ARG A 23 4.583 -5.411 -1.252 1.00 0.00 N ATOM 319 CA ARG A 23 3.921 -6.598 -0.720 1.00 0.00 C ATOM 320 C ARG A 23 2.774 -7.021 -1.634 1.00 0.00 C ATOM 321 O ARG A 23 2.534 -8.211 -1.841 1.00 0.00 O ATOM 322 CB ARG A 23 3.369 -6.321 0.682 1.00 0.00 C ATOM 323 CG ARG A 23 4.412 -6.715 1.729 1.00 0.00 C ATOM 324 CD ARG A 23 4.486 -8.240 1.827 1.00 0.00 C ATOM 325 NE ARG A 23 3.162 -8.806 2.099 1.00 0.00 N ATOM 326 CZ ARG A 23 2.615 -8.784 3.323 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.245 -8.249 4.341 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.434 -9.307 3.506 1.00 0.00 N ATOM 0 H ARG A 23 4.445 -4.563 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 23 4.657 -7.400 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.118 -5.265 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.449 -6.884 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.387 -6.310 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.149 -6.290 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.878 -8.651 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.179 -8.525 2.619 1.00 0.00 H new ATOM 0 HE ARG A 23 2.640 -9.230 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.170 -7.839 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.810 -8.243 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.935 -9.728 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.009 -9.295 4.433 1.00 0.00 H new ATOM 342 N ARG A 24 2.070 -6.033 -2.178 1.00 0.00 N ATOM 343 CA ARG A 24 0.948 -6.311 -3.071 1.00 0.00 C ATOM 344 C ARG A 24 1.450 -6.638 -4.474 1.00 0.00 C ATOM 345 O ARG A 24 0.845 -7.429 -5.197 1.00 0.00 O ATOM 346 CB ARG A 24 0.010 -5.104 -3.145 1.00 0.00 C ATOM 347 CG ARG A 24 -1.260 -5.491 -3.909 1.00 0.00 C ATOM 348 CD ARG A 24 -2.413 -4.586 -3.475 1.00 0.00 C ATOM 349 NE ARG A 24 -2.221 -3.226 -3.983 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.194 -2.304 -3.939 1.00 0.00 C ATOM 351 NH1 ARG A 24 -4.373 -2.583 -3.437 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.964 -1.107 -4.405 1.00 0.00 N ATOM 0 H ARG A 24 2.253 -5.042 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 24 0.405 -7.168 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.246 -4.766 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.508 -4.273 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.094 -5.397 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.510 -6.534 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.357 -4.988 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.478 -4.568 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.318 -2.972 -4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.564 -3.516 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.099 -1.867 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.051 -0.880 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.698 -0.399 -4.376 1.00 0.00 H new ATOM 366 N GLU A 25 2.565 -6.018 -4.851 1.00 0.00 N ATOM 367 CA GLU A 25 3.145 -6.247 -6.172 1.00 0.00 C ATOM 368 C GLU A 25 3.521 -7.716 -6.345 1.00 0.00 C ATOM 369 O GLU A 25 3.259 -8.320 -7.385 1.00 0.00 O ATOM 370 CB GLU A 25 4.396 -5.388 -6.366 1.00 0.00 C ATOM 371 CG GLU A 25 3.991 -4.004 -6.878 1.00 0.00 C ATOM 372 CD GLU A 25 3.942 -4.020 -8.401 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.980 -3.816 -9.010 1.00 0.00 O ATOM 374 OE2 GLU A 25 2.867 -4.235 -8.938 1.00 0.00 O ATOM 0 H GLU A 25 3.081 -5.359 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 25 2.397 -5.973 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.936 -5.295 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.072 -5.866 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.017 -3.726 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.704 -3.254 -6.534 1.00 0.00 H new ATOM 381 N GLN A 26 4.135 -8.283 -5.310 1.00 0.00 N ATOM 382 CA GLN A 26 4.543 -9.683 -5.356 1.00 0.00 C ATOM 383 C GLN A 26 3.321 -10.594 -5.279 1.00 0.00 C ATOM 384 O GLN A 26 3.269 -11.643 -5.920 1.00 0.00 O ATOM 385 CB GLN A 26 5.479 -10.007 -4.189 1.00 0.00 C ATOM 386 CG GLN A 26 6.921 -9.693 -4.590 1.00 0.00 C ATOM 387 CD GLN A 26 7.864 -10.686 -3.922 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.242 -10.511 -2.763 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.273 -11.730 -4.589 1.00 0.00 N ATOM 0 H GLN A 26 4.359 -7.801 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 26 5.066 -9.851 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.199 -9.424 -3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.387 -11.058 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.028 -9.747 -5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.178 -8.676 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.961 -11.876 -5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.905 -12.400 -4.150 1.00 0.00 H new ATOM 398 N LEU A 27 2.338 -10.178 -4.487 1.00 0.00 N ATOM 399 CA LEU A 27 1.115 -10.961 -4.329 1.00 0.00 C ATOM 400 C LEU A 27 0.298 -10.933 -5.618 1.00 0.00 C ATOM 401 O LEU A 27 -0.236 -11.954 -6.053 1.00 0.00 O ATOM 402 CB LEU A 27 0.264 -10.404 -3.187 1.00 0.00 C ATOM 403 CG LEU A 27 0.862 -10.836 -1.847 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.306 -9.949 -0.730 1.00 0.00 C ATOM 405 CD2 LEU A 27 0.490 -12.294 -1.570 1.00 0.00 C ATOM 0 H LEU A 27 2.362 -9.312 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 27 1.399 -11.988 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.225 -9.316 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.761 -10.765 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 27 1.947 -10.737 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.732 -10.257 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.568 -8.909 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.779 -10.049 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.916 -12.603 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.595 -12.392 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.884 -12.927 -2.365 1.00 0.00 H new ATOM 417 N LYS A 28 0.208 -9.752 -6.220 1.00 0.00 N ATOM 418 CA LYS A 28 -0.546 -9.594 -7.460 1.00 0.00 C ATOM 419 C LYS A 28 0.064 -10.450 -8.566 1.00 0.00 C ATOM 420 O LYS A 28 -0.645 -10.998 -9.410 1.00 0.00 O ATOM 421 CB LYS A 28 -0.546 -8.131 -7.905 1.00 0.00 C ATOM 422 CG LYS A 28 -1.852 -7.815 -8.634 1.00 0.00 C ATOM 423 CD LYS A 28 -2.945 -7.497 -7.612 1.00 0.00 C ATOM 424 CE LYS A 28 -2.979 -5.990 -7.352 1.00 0.00 C ATOM 425 NZ LYS A 28 -4.387 -5.561 -7.110 1.00 0.00 N ATOM 0 H LYS A 28 0.643 -8.897 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.571 -9.915 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.434 -7.478 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.303 -7.940 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.710 -6.968 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.151 -8.663 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.913 -7.835 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.755 -8.033 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.359 -5.744 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.565 -5.453 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.412 -4.536 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.966 -5.782 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.766 -6.065 -6.283 1.00 0.00 H new ATOM 439 N HIS A 29 1.389 -10.556 -8.552 1.00 0.00 N ATOM 440 CA HIS A 29 2.093 -11.347 -9.558 1.00 0.00 C ATOM 441 C HIS A 29 1.689 -12.815 -9.460 1.00 0.00 C ATOM 442 O HIS A 29 1.477 -13.484 -10.470 1.00 0.00 O ATOM 443 CB HIS A 29 3.606 -11.234 -9.369 1.00 0.00 C ATOM 444 CG HIS A 29 4.081 -9.908 -9.897 1.00 0.00 C ATOM 445 ND1 HIS A 29 3.610 -9.375 -11.087 1.00 0.00 N ATOM 446 CD2 HIS A 29 4.984 -8.996 -9.410 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.225 -8.193 -11.274 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.075 -7.914 -10.280 1.00 0.00 N ATOM 0 H HIS A 29 1.993 -10.109 -7.862 1.00 0.00 H new ATOM 0 HA HIS A 29 1.821 -10.959 -10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.859 -11.329 -8.313 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.110 -12.047 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.540 -9.102 -8.490 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.053 -7.548 -12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.663 -7.087 -10.181 1.00 0.00 H new ATOM 456 N LYS A 30 1.587 -13.308 -8.229 1.00 0.00 N ATOM 457 CA LYS A 30 1.208 -14.700 -8.007 1.00 0.00 C ATOM 458 C LYS A 30 -0.196 -14.963 -8.540 1.00 0.00 C ATOM 459 O LYS A 30 -0.426 -15.916 -9.285 1.00 0.00 O ATOM 460 CB LYS A 30 1.249 -15.037 -6.514 1.00 0.00 C ATOM 461 CG LYS A 30 2.641 -15.552 -6.144 1.00 0.00 C ATOM 462 CD LYS A 30 3.607 -14.372 -6.021 1.00 0.00 C ATOM 463 CE LYS A 30 5.049 -14.884 -6.070 1.00 0.00 C ATOM 464 NZ LYS A 30 5.975 -13.739 -6.306 1.00 0.00 N ATOM 0 H LYS A 30 1.759 -12.772 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 30 1.921 -15.330 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.008 -14.152 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.497 -15.790 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.599 -16.101 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.996 -16.249 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.435 -13.662 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.431 -13.840 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.301 -15.383 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.157 -15.623 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.955 -14.086 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.739 -13.282 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.878 -13.049 -5.534 1.00 0.00 H new ATOM 478 N LEU A 31 -1.135 -14.106 -8.148 1.00 0.00 N ATOM 479 CA LEU A 31 -2.519 -14.252 -8.592 1.00 0.00 C ATOM 480 C LEU A 31 -2.631 -13.991 -10.091 1.00 0.00 C ATOM 481 O LEU A 31 -3.311 -14.717 -10.812 1.00 0.00 O ATOM 482 CB LEU A 31 -3.427 -13.271 -7.847 1.00 0.00 C ATOM 483 CG LEU A 31 -4.813 -13.889 -7.665 1.00 0.00 C ATOM 484 CD1 LEU A 31 -4.836 -14.722 -6.383 1.00 0.00 C ATOM 485 CD2 LEU A 31 -5.859 -12.777 -7.569 1.00 0.00 C ATOM 0 H LEU A 31 -0.966 -13.312 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.833 -15.273 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.996 -13.028 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.505 -12.337 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.040 -14.529 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.824 -15.163 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.091 -15.515 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.609 -14.083 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.848 -13.218 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.632 -12.137 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.844 -12.183 -8.483 1.00 0.00 H new ATOM 497 N GLU A 32 -1.950 -12.943 -10.548 1.00 0.00 N ATOM 498 CA GLU A 32 -1.977 -12.589 -11.965 1.00 0.00 C ATOM 499 C GLU A 32 -1.385 -13.715 -12.806 1.00 0.00 C ATOM 500 O GLU A 32 -2.018 -14.211 -13.739 1.00 0.00 O ATOM 501 CB GLU A 32 -1.175 -11.311 -12.211 1.00 0.00 C ATOM 502 CG GLU A 32 -2.025 -10.093 -11.841 1.00 0.00 C ATOM 503 CD GLU A 32 -1.319 -8.822 -12.296 1.00 0.00 C ATOM 504 OE1 GLU A 32 -0.399 -8.402 -11.612 1.00 0.00 O ATOM 505 OE2 GLU A 32 -1.707 -8.285 -13.320 1.00 0.00 O ATOM 0 H GLU A 32 -1.379 -12.330 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.016 -12.428 -12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.261 -11.323 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.875 -11.254 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.006 -10.165 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.189 -10.065 -10.764 1.00 0.00 H new ATOM 512 N GLN A 33 -0.162 -14.113 -12.468 1.00 0.00 N ATOM 513 CA GLN A 33 0.512 -15.183 -13.198 1.00 0.00 C ATOM 514 C GLN A 33 -0.270 -16.488 -13.075 1.00 0.00 C ATOM 515 O GLN A 33 -0.531 -17.168 -14.068 1.00 0.00 O ATOM 516 CB GLN A 33 1.926 -15.396 -12.655 1.00 0.00 C ATOM 517 CG GLN A 33 2.821 -15.950 -13.766 1.00 0.00 C ATOM 518 CD GLN A 33 3.415 -14.793 -14.564 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.684 -13.997 -15.152 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.711 -14.652 -14.619 1.00 0.00 N ATOM 0 H GLN A 33 0.379 -13.715 -11.700 1.00 0.00 H new ATOM 0 HA GLN A 33 0.567 -14.890 -14.246 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.330 -14.454 -12.283 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.903 -16.088 -11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.618 -16.557 -13.337 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.243 -16.600 -14.423 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.317 -15.312 -14.131 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.118 -13.882 -15.149 1.00 0.00 H new ATOM 529 N LEU A 34 -0.640 -16.828 -11.844 1.00 0.00 N ATOM 530 CA LEU A 34 -1.392 -18.054 -11.597 1.00 0.00 C ATOM 531 C LEU A 34 -2.682 -17.745 -10.843 1.00 0.00 C ATOM 532 O LEU A 34 -2.658 -17.133 -9.776 1.00 0.00 O ATOM 533 CB LEU A 34 -0.558 -19.038 -10.775 1.00 0.00 C ATOM 534 CG LEU A 34 0.637 -19.511 -11.604 1.00 0.00 C ATOM 535 CD1 LEU A 34 1.766 -19.949 -10.669 1.00 0.00 C ATOM 536 CD2 LEU A 34 0.216 -20.692 -12.479 1.00 0.00 C ATOM 0 H LEU A 34 -0.434 -16.278 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.633 -18.501 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.212 -18.561 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.169 -19.891 -10.479 1.00 0.00 H new ATOM 0 HG LEU A 34 0.984 -18.694 -12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.618 -20.286 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.068 -19.108 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.418 -20.765 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.068 -21.029 -13.070 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.132 -21.508 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.588 -20.382 -13.146 1.00 0.00 H new HETATM 548 N NH2 A 35 -3.822 -18.138 -11.343 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 5.066 21.093 -5.674 1.00 0.00 C HETATM 553 O ACE B 2 5.826 20.230 -5.232 1.00 0.00 O HETATM 554 CH3 ACE B 2 5.603 22.420 -6.200 1.00 0.00 C HETATM 0 H1 ACE B 2 5.325 22.535 -7.248 1.00 0.00 H new HETATM 0 H2 ACE B 2 5.179 23.240 -5.620 1.00 0.00 H new HETATM 0 H3 ACE B 2 6.689 22.435 -6.109 1.00 0.00 H new ATOM 558 N CYS B 3 3.746 20.939 -5.729 1.00 0.00 N ATOM 559 CA CYS B 3 3.112 19.711 -5.255 1.00 0.00 C ATOM 560 C CYS B 3 2.075 19.225 -6.264 1.00 0.00 C ATOM 561 O CYS B 3 1.260 20.002 -6.762 1.00 0.00 O ATOM 562 CB CYS B 3 2.428 19.943 -3.905 1.00 0.00 C ATOM 563 SG CYS B 3 1.277 21.337 -4.032 1.00 0.00 S ATOM 0 H CYS B 3 3.100 21.640 -6.092 1.00 0.00 H new ATOM 0 HA CYS B 3 3.889 18.955 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS B 3 1.893 19.044 -3.599 1.00 0.00 H new ATOM 0 HB3 CYS B 3 3.176 20.145 -3.138 1.00 0.00 H new ATOM 568 N GLY B 4 2.116 17.930 -6.560 1.00 0.00 N ATOM 569 CA GLY B 4 1.176 17.344 -7.511 1.00 0.00 C ATOM 570 C GLY B 4 0.033 16.644 -6.783 1.00 0.00 C ATOM 571 O GLY B 4 0.251 15.720 -5.999 1.00 0.00 O ATOM 0 H GLY B 4 2.783 17.271 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY B 4 0.776 18.123 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY B 4 1.696 16.631 -8.151 1.00 0.00 H new ATOM 575 N GLY B 5 -1.188 17.096 -7.051 1.00 0.00 N ATOM 576 CA GLY B 5 -2.365 16.507 -6.415 1.00 0.00 C ATOM 577 C GLY B 5 -2.303 16.675 -4.902 1.00 0.00 C ATOM 578 O GLY B 5 -1.781 15.821 -4.188 1.00 0.00 O ATOM 0 H GLY B 5 -1.389 17.860 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -3.268 16.980 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -2.428 15.448 -6.666 1.00 0.00 H new ATOM 582 N MET B 6 -2.840 17.790 -4.420 1.00 0.00 N ATOM 583 CA MET B 6 -2.839 18.066 -2.988 1.00 0.00 C ATOM 584 C MET B 6 -3.717 17.064 -2.243 1.00 0.00 C ATOM 585 O MET B 6 -3.227 16.253 -1.457 1.00 0.00 O ATOM 586 CB MET B 6 -3.353 19.482 -2.714 1.00 0.00 C ATOM 587 CG MET B 6 -3.141 19.829 -1.240 1.00 0.00 C ATOM 588 SD MET B 6 -4.048 21.344 -0.840 1.00 0.00 S ATOM 589 CE MET B 6 -2.684 22.502 -1.109 1.00 0.00 C ATOM 0 H MET B 6 -3.278 18.511 -4.993 1.00 0.00 H new ATOM 0 HA MET B 6 -1.812 17.977 -2.633 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.828 20.199 -3.346 1.00 0.00 H new ATOM 0 HB3 MET B 6 -4.411 19.550 -2.965 1.00 0.00 H new ATOM 0 HG2 MET B 6 -3.485 19.009 -0.609 1.00 0.00 H new ATOM 0 HG3 MET B 6 -2.079 19.964 -1.036 1.00 0.00 H new ATOM 0 HE1 MET B 6 -3.026 23.519 -0.915 1.00 0.00 H new ATOM 0 HE2 MET B 6 -1.863 22.260 -0.434 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.340 22.426 -2.140 1.00 0.00 H new ATOM 599 N ARG B 7 -5.021 17.130 -2.496 1.00 0.00 N ATOM 600 CA ARG B 7 -5.961 16.228 -1.835 1.00 0.00 C ATOM 601 C ARG B 7 -6.157 14.953 -2.653 1.00 0.00 C ATOM 602 O ARG B 7 -6.307 13.864 -2.098 1.00 0.00 O ATOM 603 CB ARG B 7 -7.318 16.919 -1.646 1.00 0.00 C ATOM 604 CG ARG B 7 -7.439 17.437 -0.209 1.00 0.00 C ATOM 605 CD ARG B 7 -7.591 16.258 0.760 1.00 0.00 C ATOM 606 NE ARG B 7 -8.699 16.495 1.690 1.00 0.00 N ATOM 607 CZ ARG B 7 -9.979 16.328 1.330 1.00 0.00 C ATOM 608 NH1 ARG B 7 -10.301 15.947 0.117 1.00 0.00 N ATOM 609 NH2 ARG B 7 -10.923 16.551 2.203 1.00 0.00 N ATOM 0 H ARG B 7 -5.448 17.790 -3.146 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.546 15.966 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.417 17.745 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -8.126 16.219 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.557 18.022 0.052 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -8.299 18.102 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -7.769 15.340 0.200 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.665 16.116 1.317 1.00 0.00 H new ATOM 0 HE ARG B 7 -8.489 16.797 2.641 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -9.571 15.772 -0.573 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.282 15.826 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -10.683 16.849 3.148 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -11.901 16.427 1.940 1.00 0.00 H new ATOM 623 N ARG B 8 -6.169 15.097 -3.975 1.00 0.00 N ATOM 624 CA ARG B 8 -6.363 13.942 -4.850 1.00 0.00 C ATOM 625 C ARG B 8 -5.256 12.907 -4.647 1.00 0.00 C ATOM 626 O ARG B 8 -5.516 11.703 -4.627 1.00 0.00 O ATOM 627 CB ARG B 8 -6.389 14.372 -6.320 1.00 0.00 C ATOM 628 CG ARG B 8 -5.102 15.125 -6.668 1.00 0.00 C ATOM 629 CD ARG B 8 -5.385 16.159 -7.766 1.00 0.00 C ATOM 630 NE ARG B 8 -4.556 15.898 -8.947 1.00 0.00 N ATOM 631 CZ ARG B 8 -4.829 16.439 -10.143 1.00 0.00 C ATOM 632 NH1 ARG B 8 -5.863 17.230 -10.311 1.00 0.00 N ATOM 633 NH2 ARG B 8 -4.055 16.173 -11.158 1.00 0.00 N ATOM 0 H ARG B 8 -6.049 15.987 -4.459 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.321 13.493 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.493 13.497 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.254 15.008 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.709 15.622 -5.781 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.339 14.423 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -6.439 16.126 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -5.185 17.162 -7.389 1.00 0.00 H new ATOM 0 HE ARG B 8 -3.746 15.285 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.476 17.443 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.054 17.632 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -3.250 15.558 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -4.254 16.580 -12.072 1.00 0.00 H new ATOM 647 N LYS B 9 -4.022 13.382 -4.502 1.00 0.00 N ATOM 648 CA LYS B 9 -2.891 12.475 -4.307 1.00 0.00 C ATOM 649 C LYS B 9 -2.795 12.036 -2.848 1.00 0.00 C ATOM 650 O LYS B 9 -2.465 10.889 -2.552 1.00 0.00 O ATOM 651 CB LYS B 9 -1.581 13.150 -4.711 1.00 0.00 C ATOM 652 CG LYS B 9 -0.587 12.090 -5.189 1.00 0.00 C ATOM 653 CD LYS B 9 -0.689 11.941 -6.708 1.00 0.00 C ATOM 654 CE LYS B 9 0.253 10.832 -7.178 1.00 0.00 C ATOM 655 NZ LYS B 9 1.655 11.340 -7.188 1.00 0.00 N ATOM 0 H LYS B 9 -3.780 14.373 -4.515 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.057 11.601 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.763 13.876 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.166 13.698 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS B 9 0.427 12.375 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.796 11.136 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.715 11.706 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.431 12.882 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.173 9.968 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.031 10.498 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 2.287 10.608 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.711 12.192 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.946 11.574 -6.218 1.00 0.00 H new ATOM 669 N ASN B 10 -3.085 12.963 -1.938 1.00 0.00 N ATOM 670 CA ASN B 10 -3.022 12.653 -0.511 1.00 0.00 C ATOM 671 C ASN B 10 -4.160 11.717 -0.116 1.00 0.00 C ATOM 672 O ASN B 10 -4.006 10.864 0.758 1.00 0.00 O ATOM 673 CB ASN B 10 -3.119 13.933 0.321 1.00 0.00 C ATOM 674 CG ASN B 10 -1.767 14.637 0.328 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.226 14.965 -0.728 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.182 14.890 1.466 1.00 0.00 N ATOM 0 H ASN B 10 -3.362 13.920 -2.157 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.067 12.165 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.882 14.592 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.423 13.695 1.340 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.277 15.359 1.481 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.630 14.618 2.341 1.00 0.00 H new ATOM 683 N ASP B 11 -5.305 11.886 -0.771 1.00 0.00 N ATOM 684 CA ASP B 11 -6.466 11.050 -0.483 1.00 0.00 C ATOM 685 C ASP B 11 -6.217 9.617 -0.938 1.00 0.00 C ATOM 686 O ASP B 11 -6.429 8.666 -0.184 1.00 0.00 O ATOM 687 CB ASP B 11 -7.708 11.592 -1.196 1.00 0.00 C ATOM 688 CG ASP B 11 -8.943 10.840 -0.713 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.008 9.643 -0.936 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.807 11.473 -0.127 1.00 0.00 O ATOM 0 H ASP B 11 -5.453 12.587 -1.497 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.632 11.065 0.594 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.818 12.658 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.599 11.479 -2.275 1.00 0.00 H new ATOM 695 N THR B 12 -5.764 9.471 -2.180 1.00 0.00 N ATOM 696 CA THR B 12 -5.489 8.144 -2.729 1.00 0.00 C ATOM 697 C THR B 12 -4.408 7.441 -1.912 1.00 0.00 C ATOM 698 O THR B 12 -4.421 6.221 -1.757 1.00 0.00 O ATOM 699 CB THR B 12 -5.031 8.251 -4.187 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.714 6.955 -4.677 1.00 0.00 O ATOM 701 CG2 THR B 12 -3.793 9.149 -4.280 1.00 0.00 C ATOM 0 H THR B 12 -5.581 10.244 -2.820 1.00 0.00 H new ATOM 0 HA THR B 12 -6.410 7.563 -2.683 1.00 0.00 H new ATOM 0 HB THR B 12 -5.833 8.684 -4.785 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.422 7.020 -5.610 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.473 9.221 -5.319 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.036 10.143 -3.906 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.988 8.723 -3.681 1.00 0.00 H new ATOM 709 N HIS B 13 -3.471 8.230 -1.392 1.00 0.00 N ATOM 710 CA HIS B 13 -2.379 7.679 -0.591 1.00 0.00 C ATOM 711 C HIS B 13 -2.921 6.986 0.655 1.00 0.00 C ATOM 712 O HIS B 13 -2.462 5.908 1.033 1.00 0.00 O ATOM 713 CB HIS B 13 -1.422 8.791 -0.158 1.00 0.00 C ATOM 714 CG HIS B 13 -0.396 9.024 -1.234 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.277 7.983 -1.853 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.087 10.176 -1.804 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.120 8.524 -2.753 1.00 0.00 C ATOM 718 NE2 HIS B 13 1.044 9.857 -2.763 1.00 0.00 N ATOM 0 H HIS B 13 -3.444 9.243 -1.509 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.847 6.954 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.978 9.709 0.033 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.929 8.517 0.775 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.156 6.988 -1.662 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.228 11.177 -1.547 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.777 7.950 -3.389 1.00 0.00 H new ATOM 726 N GLN B 14 -3.898 7.621 1.290 1.00 0.00 N ATOM 727 CA GLN B 14 -4.497 7.068 2.503 1.00 0.00 C ATOM 728 C GLN B 14 -5.226 5.760 2.202 1.00 0.00 C ATOM 729 O GLN B 14 -4.924 4.718 2.782 1.00 0.00 O ATOM 730 CB GLN B 14 -5.491 8.062 3.107 1.00 0.00 C ATOM 731 CG GLN B 14 -5.490 7.923 4.632 1.00 0.00 C ATOM 732 CD GLN B 14 -6.765 8.539 5.199 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.783 8.618 4.511 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.770 8.984 6.425 1.00 0.00 N ATOM 0 H GLN B 14 -4.292 8.513 0.990 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.692 6.875 3.213 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.222 9.079 2.824 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.491 7.876 2.715 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.426 6.872 4.912 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.615 8.419 5.053 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.927 8.918 6.995 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.617 9.398 6.814 1.00 0.00 H new ATOM 743 N GLN B 15 -6.196 5.831 1.293 1.00 0.00 N ATOM 744 CA GLN B 15 -6.976 4.648 0.925 1.00 0.00 C ATOM 745 C GLN B 15 -6.071 3.536 0.398 1.00 0.00 C ATOM 746 O GLN B 15 -6.272 2.360 0.699 1.00 0.00 O ATOM 747 CB GLN B 15 -8.013 5.000 -0.146 1.00 0.00 C ATOM 748 CG GLN B 15 -7.314 5.593 -1.373 1.00 0.00 C ATOM 749 CD GLN B 15 -8.361 6.047 -2.384 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.722 7.222 -2.429 1.00 0.00 O ATOM 751 NE2 GLN B 15 -8.872 5.175 -3.208 1.00 0.00 N ATOM 0 H GLN B 15 -6.460 6.685 0.801 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.484 4.297 1.823 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.572 4.108 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.733 5.714 0.253 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -6.689 6.436 -1.077 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -6.655 4.851 -1.824 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -8.572 4.201 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -9.572 5.467 -3.890 1.00 0.00 H new ATOM 760 N ASP B 16 -5.071 3.919 -0.395 1.00 0.00 N ATOM 761 CA ASP B 16 -4.142 2.942 -0.964 1.00 0.00 C ATOM 762 C ASP B 16 -3.451 2.148 0.143 1.00 0.00 C ATOM 763 O ASP B 16 -3.288 0.934 0.046 1.00 0.00 O ATOM 764 CB ASP B 16 -3.078 3.644 -1.811 1.00 0.00 C ATOM 765 CG ASP B 16 -2.252 2.604 -2.561 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.705 2.154 -3.601 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.178 2.274 -2.086 1.00 0.00 O ATOM 0 H ASP B 16 -4.884 4.887 -0.656 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.717 2.262 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.552 4.325 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.431 4.246 -1.174 1.00 0.00 H new ATOM 772 N ILE B 17 -3.051 2.853 1.197 1.00 0.00 N ATOM 773 CA ILE B 17 -2.380 2.209 2.324 1.00 0.00 C ATOM 774 C ILE B 17 -3.298 1.165 2.963 1.00 0.00 C ATOM 775 O ILE B 17 -3.115 -0.040 2.790 1.00 0.00 O ATOM 776 CB ILE B 17 -1.973 3.275 3.374 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.685 3.963 2.913 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.738 2.643 4.761 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.528 5.295 3.648 1.00 0.00 C ATOM 0 H ILE B 17 -3.177 3.860 1.295 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.483 1.707 1.960 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.786 3.996 3.462 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.174 3.322 3.112 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.715 4.131 1.836 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.454 3.420 5.471 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.654 2.158 5.100 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -0.940 1.904 4.694 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.389 5.785 3.320 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.382 5.936 3.426 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.479 5.114 4.722 1.00 0.00 H new ATOM 791 N ASP B 18 -4.269 1.656 3.734 1.00 0.00 N ATOM 792 CA ASP B 18 -5.203 0.784 4.444 1.00 0.00 C ATOM 793 C ASP B 18 -5.746 -0.327 3.539 1.00 0.00 C ATOM 794 O ASP B 18 -6.076 -1.418 4.003 1.00 0.00 O ATOM 795 CB ASP B 18 -6.377 1.606 4.991 1.00 0.00 C ATOM 796 CG ASP B 18 -6.118 1.967 6.451 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.807 1.070 7.216 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.236 3.135 6.782 1.00 0.00 O ATOM 0 H ASP B 18 -4.428 2.653 3.882 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.655 0.320 5.264 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.505 2.513 4.400 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.303 1.037 4.906 1.00 0.00 H new ATOM 803 N ASP B 19 -5.830 -0.037 2.243 1.00 0.00 N ATOM 804 CA ASP B 19 -6.332 -1.020 1.286 1.00 0.00 C ATOM 805 C ASP B 19 -5.271 -2.082 1.013 1.00 0.00 C ATOM 806 O ASP B 19 -5.583 -3.261 0.846 1.00 0.00 O ATOM 807 CB ASP B 19 -6.714 -0.340 -0.032 1.00 0.00 C ATOM 808 CG ASP B 19 -7.419 -1.344 -0.937 1.00 0.00 C ATOM 809 OD1 ASP B 19 -6.733 -2.149 -1.545 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.637 -1.294 -1.010 1.00 0.00 O ATOM 0 H ASP B 19 -5.561 0.858 1.835 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.216 -1.491 1.716 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.366 0.512 0.162 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.823 0.047 -0.526 1.00 0.00 H new ATOM 815 N LEU B 20 -4.014 -1.650 0.970 1.00 0.00 N ATOM 816 CA LEU B 20 -2.909 -2.571 0.717 1.00 0.00 C ATOM 817 C LEU B 20 -2.831 -3.626 1.817 1.00 0.00 C ATOM 818 O LEU B 20 -2.599 -4.805 1.553 1.00 0.00 O ATOM 819 CB LEU B 20 -1.579 -1.813 0.663 1.00 0.00 C ATOM 820 CG LEU B 20 -1.432 -1.134 -0.700 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.498 0.070 -0.573 1.00 0.00 C ATOM 822 CD2 LEU B 20 -0.842 -2.129 -1.703 1.00 0.00 C ATOM 0 H LEU B 20 -3.736 -0.678 1.105 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.091 -3.056 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.540 -1.068 1.458 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -0.750 -2.500 0.830 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.410 -0.801 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.394 0.553 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.914 0.779 0.143 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.480 -0.263 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -0.737 -1.647 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU B 20 0.136 -2.460 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.505 -2.989 -1.795 1.00 0.00 H new ATOM 834 N LYS B 21 -3.027 -3.183 3.056 1.00 0.00 N ATOM 835 CA LYS B 21 -2.976 -4.094 4.197 1.00 0.00 C ATOM 836 C LYS B 21 -4.136 -5.083 4.146 1.00 0.00 C ATOM 837 O LYS B 21 -3.945 -6.294 4.257 1.00 0.00 O ATOM 838 CB LYS B 21 -3.045 -3.309 5.510 1.00 0.00 C ATOM 839 CG LYS B 21 -1.629 -2.962 5.973 1.00 0.00 C ATOM 840 CD LYS B 21 -1.691 -2.304 7.352 1.00 0.00 C ATOM 841 CE LYS B 21 -0.571 -1.267 7.474 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.396 -0.888 8.905 1.00 0.00 N ATOM 0 H LYS B 21 -3.220 -2.210 3.295 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.034 -4.641 4.149 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.627 -2.398 5.371 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.554 -3.899 6.272 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.018 -3.863 6.015 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.156 -2.289 5.258 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.660 -1.827 7.496 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.589 -3.059 8.132 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.360 -1.673 7.078 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.812 -0.385 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.365 -0.184 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.283 -0.484 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.148 -1.732 9.460 1.00 0.00 H new ATOM 856 N ARG B 22 -5.344 -4.551 3.977 1.00 0.00 N ATOM 857 CA ARG B 22 -6.534 -5.393 3.914 1.00 0.00 C ATOM 858 C ARG B 22 -6.461 -6.336 2.716 1.00 0.00 C ATOM 859 O ARG B 22 -6.823 -7.509 2.809 1.00 0.00 O ATOM 860 CB ARG B 22 -7.792 -4.530 3.792 1.00 0.00 C ATOM 861 CG ARG B 22 -8.209 -4.035 5.179 1.00 0.00 C ATOM 862 CD ARG B 22 -9.028 -5.118 5.883 1.00 0.00 C ATOM 863 NE ARG B 22 -10.300 -5.336 5.190 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.256 -6.135 5.688 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.090 -6.764 6.828 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.369 -6.291 5.028 1.00 0.00 N ATOM 0 H ARG B 22 -5.523 -3.551 3.882 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.580 -5.978 4.833 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.602 -3.682 3.134 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.600 -5.108 3.342 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.326 -3.790 5.770 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.796 -3.121 5.089 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.461 -6.048 5.914 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.216 -4.825 6.916 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.464 -4.865 4.300 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.222 -6.650 7.352 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.829 -7.367 7.190 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.508 -5.808 4.141 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.101 -6.896 5.399 1.00 0.00 H new ATOM 880 N GLN B 23 -5.990 -5.809 1.591 1.00 0.00 N ATOM 881 CA GLN B 23 -5.874 -6.611 0.376 1.00 0.00 C ATOM 882 C GLN B 23 -4.789 -7.670 0.536 1.00 0.00 C ATOM 883 O GLN B 23 -5.013 -8.854 0.282 1.00 0.00 O ATOM 884 CB GLN B 23 -5.531 -5.725 -0.823 1.00 0.00 C ATOM 885 CG GLN B 23 -6.820 -5.157 -1.423 1.00 0.00 C ATOM 886 CD GLN B 23 -7.539 -6.248 -2.209 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.687 -6.580 -1.915 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.925 -6.831 -3.201 1.00 0.00 N ATOM 0 H GLN B 23 -5.685 -4.841 1.494 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.834 -7.097 0.204 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.873 -4.913 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.992 -6.303 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.466 -4.779 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.590 -4.315 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.974 -6.556 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.396 -7.562 -3.733 1.00 0.00 H new ATOM 897 N ASN B 24 -3.607 -7.232 0.958 1.00 0.00 N ATOM 898 CA ASN B 24 -2.487 -8.149 1.147 1.00 0.00 C ATOM 899 C ASN B 24 -2.815 -9.175 2.228 1.00 0.00 C ATOM 900 O ASN B 24 -2.473 -10.352 2.110 1.00 0.00 O ATOM 901 CB ASN B 24 -1.227 -7.384 1.554 1.00 0.00 C ATOM 902 CG ASN B 24 -0.621 -6.713 0.327 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.818 -7.170 -0.799 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.114 -5.645 0.477 1.00 0.00 N ATOM 0 H ASN B 24 -3.400 -6.257 1.174 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.310 -8.660 0.201 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.471 -6.635 2.308 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.504 -8.065 2.003 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.525 -5.190 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.278 -5.266 1.409 1.00 0.00 H new ATOM 911 N ALA B 25 -3.482 -8.716 3.284 1.00 0.00 N ATOM 912 CA ALA B 25 -3.852 -9.602 4.385 1.00 0.00 C ATOM 913 C ALA B 25 -4.751 -10.731 3.890 1.00 0.00 C ATOM 914 O ALA B 25 -4.502 -11.906 4.159 1.00 0.00 O ATOM 915 CB ALA B 25 -4.591 -8.819 5.473 1.00 0.00 C ATOM 0 H ALA B 25 -3.775 -7.746 3.401 1.00 0.00 H new ATOM 0 HA ALA B 25 -2.936 -10.025 4.796 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -4.860 -9.492 6.287 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -3.945 -8.029 5.855 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.495 -8.378 5.053 1.00 0.00 H new ATOM 921 N LEU B 26 -5.801 -10.360 3.163 1.00 0.00 N ATOM 922 CA LEU B 26 -6.736 -11.348 2.631 1.00 0.00 C ATOM 923 C LEU B 26 -6.122 -12.087 1.443 1.00 0.00 C ATOM 924 O LEU B 26 -6.440 -13.249 1.186 1.00 0.00 O ATOM 925 CB LEU B 26 -8.032 -10.673 2.181 1.00 0.00 C ATOM 926 CG LEU B 26 -9.207 -11.629 2.394 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.472 -10.824 2.697 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.423 -12.457 1.126 1.00 0.00 C ATOM 0 H LEU B 26 -6.025 -9.393 2.930 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.954 -12.061 3.426 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.191 -9.754 2.745 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.963 -10.394 1.130 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.990 -12.292 3.231 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.309 -11.505 2.849 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.319 -10.231 3.599 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.691 -10.161 1.860 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.260 -13.139 1.275 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.641 -11.792 0.290 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.522 -13.030 0.908 1.00 0.00 H new ATOM 940 N LEU B 27 -5.240 -11.401 0.719 1.00 0.00 N ATOM 941 CA LEU B 27 -4.589 -12.001 -0.444 1.00 0.00 C ATOM 942 C LEU B 27 -3.794 -13.239 -0.037 1.00 0.00 C ATOM 943 O LEU B 27 -4.020 -14.333 -0.552 1.00 0.00 O ATOM 944 CB LEU B 27 -3.644 -10.996 -1.108 1.00 0.00 C ATOM 945 CG LEU B 27 -4.418 -10.170 -2.134 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.596 -8.941 -2.527 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.683 -11.021 -3.378 1.00 0.00 C ATOM 0 H LEU B 27 -4.962 -10.439 0.914 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.368 -12.289 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.205 -10.341 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.821 -11.520 -1.594 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.366 -9.851 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.149 -8.352 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.405 -8.333 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.648 -9.261 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.235 -10.432 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.734 -11.340 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.269 -11.898 -3.101 1.00 0.00 H new ATOM 959 N GLU B 28 -2.862 -13.054 0.895 1.00 0.00 N ATOM 960 CA GLU B 28 -2.035 -14.164 1.370 1.00 0.00 C ATOM 961 C GLU B 28 -2.914 -15.253 1.974 1.00 0.00 C ATOM 962 O GLU B 28 -2.686 -16.445 1.770 1.00 0.00 O ATOM 963 CB GLU B 28 -1.045 -13.687 2.439 1.00 0.00 C ATOM 964 CG GLU B 28 -0.361 -12.386 1.992 1.00 0.00 C ATOM 965 CD GLU B 28 1.157 -12.535 2.083 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.613 -13.261 2.951 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.840 -11.919 1.281 1.00 0.00 O ATOM 0 H GLU B 28 -2.660 -12.156 1.334 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.484 -14.558 0.516 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.568 -13.525 3.382 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.295 -14.457 2.618 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.650 -12.146 0.969 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.692 -11.558 2.619 1.00 0.00 H new ATOM 974 N GLN B 29 -3.925 -14.820 2.724 1.00 0.00 N ATOM 975 CA GLN B 29 -4.848 -15.757 3.365 1.00 0.00 C ATOM 976 C GLN B 29 -5.512 -16.656 2.323 1.00 0.00 C ATOM 977 O GLN B 29 -5.821 -17.818 2.591 1.00 0.00 O ATOM 978 CB GLN B 29 -5.934 -14.998 4.131 1.00 0.00 C ATOM 979 CG GLN B 29 -5.427 -14.655 5.532 1.00 0.00 C ATOM 980 CD GLN B 29 -6.595 -14.651 6.511 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.734 -14.374 6.130 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.383 -14.948 7.765 1.00 0.00 N ATOM 0 H GLN B 29 -4.126 -13.836 2.903 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.273 -16.371 4.059 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.201 -14.086 3.596 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.837 -15.604 4.198 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -4.678 -15.382 5.847 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -4.941 -13.679 5.525 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.441 -15.178 8.083 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.159 -14.950 8.427 1.00 0.00 H new ATOM 991 N GLN B 30 -5.721 -16.105 1.130 1.00 0.00 N ATOM 992 CA GLN B 30 -6.341 -16.865 0.048 1.00 0.00 C ATOM 993 C GLN B 30 -5.274 -17.607 -0.750 1.00 0.00 C ATOM 994 O GLN B 30 -5.466 -18.754 -1.157 1.00 0.00 O ATOM 995 CB GLN B 30 -7.110 -15.933 -0.889 1.00 0.00 C ATOM 996 CG GLN B 30 -8.296 -16.686 -1.497 1.00 0.00 C ATOM 997 CD GLN B 30 -9.324 -16.977 -0.410 1.00 0.00 C ATOM 998 OE1 GLN B 30 -10.007 -16.070 0.066 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.479 -18.201 0.015 1.00 0.00 N ATOM 0 H GLN B 30 -5.473 -15.145 0.889 1.00 0.00 H new ATOM 0 HA GLN B 30 -7.034 -17.582 0.489 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -7.463 -15.059 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.452 -15.570 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -8.749 -16.092 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.956 -17.617 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.914 -18.953 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.166 -18.406 0.741 1.00 0.00 H new ATOM 1008 N VAL B 31 -4.145 -16.937 -0.966 1.00 0.00 N ATOM 1009 CA VAL B 31 -3.043 -17.536 -1.715 1.00 0.00 C ATOM 1010 C VAL B 31 -2.482 -18.737 -0.956 1.00 0.00 C ATOM 1011 O VAL B 31 -2.032 -19.713 -1.554 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.930 -16.503 -1.936 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.814 -17.110 -2.792 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -2.506 -15.273 -2.650 1.00 0.00 C ATOM 0 H VAL B 31 -3.969 -15.988 -0.637 1.00 0.00 H new ATOM 0 HA VAL B 31 -3.421 -17.868 -2.682 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.521 -16.209 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -0.028 -16.370 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -0.399 -17.981 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -1.219 -17.412 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.715 -14.540 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.920 -15.572 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -3.293 -14.832 -2.038 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.516 -18.653 0.370 1.00 0.00 N ATOM 1025 CA ARG B 32 -2.008 -19.737 1.206 1.00 0.00 C ATOM 1026 C ARG B 32 -3.038 -20.859 1.303 1.00 0.00 C ATOM 1027 O ARG B 32 -2.704 -22.040 1.212 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.690 -19.225 2.614 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.472 -19.968 3.169 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.808 -21.448 3.356 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.322 -22.236 2.222 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.208 -23.572 2.275 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.541 -24.239 3.356 1.00 0.00 N ATOM 1034 NH2 ARG B 32 0.239 -24.219 1.235 1.00 0.00 N ATOM 0 H ARG B 32 -2.886 -17.854 0.886 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.096 -20.119 0.747 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.493 -18.153 2.586 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.549 -19.374 3.269 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.372 -19.861 2.488 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.171 -19.531 4.121 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.359 -21.814 4.279 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.886 -21.572 3.456 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.061 -21.753 1.362 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.893 -23.742 4.174 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.448 -25.254 3.378 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.499 -23.710 0.390 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.329 -25.235 1.266 1.00 0.00 H new ATOM 1048 N ALA B 33 -4.299 -20.476 1.492 1.00 0.00 N ATOM 1049 CA ALA B 33 -5.375 -21.456 1.601 1.00 0.00 C ATOM 1050 C ALA B 33 -5.497 -22.261 0.312 1.00 0.00 C ATOM 1051 O ALA B 33 -5.502 -23.491 0.328 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.708 -20.760 1.883 1.00 0.00 C ATOM 0 H ALA B 33 -4.598 -19.504 1.572 1.00 0.00 H new ATOM 0 HA ALA B 33 -5.135 -22.127 2.426 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -7.499 -21.506 1.961 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.638 -20.206 2.819 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.938 -20.071 1.070 1.00 0.00 H new ATOM 1058 N LEU B 34 -5.597 -21.550 -0.808 1.00 0.00 N ATOM 1059 CA LEU B 34 -5.720 -22.205 -2.107 1.00 0.00 C ATOM 1060 C LEU B 34 -4.476 -23.037 -2.402 1.00 0.00 C ATOM 1061 O LEU B 34 -3.517 -22.549 -3.001 1.00 0.00 O ATOM 1062 CB LEU B 34 -5.904 -21.161 -3.219 1.00 0.00 C ATOM 1063 CG LEU B 34 -7.396 -20.899 -3.474 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -8.080 -22.186 -3.943 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -8.068 -20.403 -2.186 1.00 0.00 C ATOM 0 H LEU B 34 -5.595 -20.531 -0.843 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.593 -22.857 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.409 -20.231 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.429 -21.511 -4.136 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.492 -20.137 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -9.138 -21.992 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.613 -22.530 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.977 -22.953 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -9.126 -20.219 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -7.964 -21.159 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -7.592 -19.478 -1.860 1.00 0.00 H new HETATM 1077 N NH2 B 35 -4.433 -24.282 -2.014 1.00 0.00 N TER 1080 NH2 B 35