USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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 NoAdj-H: A 2 IIL H2 : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.26) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -24:sc= 0.341 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.5!) USER MOD Single : B 1 PHE N :NH3+ 168:sc= -0.0256 (180deg=-0.175) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 79:sc= -1.78! USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.166 USER MOD Single : B 28 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-0.86) USER MOD Single : B 30 THR OG1 : rot -58:sc= 0.871 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.988 4.230 -1.009 1.00 0.00 N ATOM 2 CA GLY A 1 -6.273 2.922 -1.345 1.00 0.00 C ATOM 3 C GLY A 1 -4.896 2.966 -1.917 1.00 0.00 C ATOM 4 O GLY A 1 -4.127 3.865 -1.640 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.931 4.021 -0.623 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.434 4.757 -0.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.087 4.803 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.229 2.329 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.902 2.377 -2.049 1.00 0.00 H new HETATM 10 N IIL A 2 -4.549 2.001 -2.724 1.00 0.00 N HETATM 11 CA IIL A 2 -3.187 1.985 -3.327 1.00 0.00 C HETATM 12 C IIL A 2 -3.167 2.877 -4.569 1.00 0.00 C HETATM 13 O IIL A 2 -2.134 3.367 -4.977 1.00 0.00 O HETATM 14 CB IIL A 2 -2.830 0.552 -3.729 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.360 0.492 -4.147 1.00 0.00 C HETATM 16 CG1 IIL A 2 -3.712 0.117 -4.901 1.00 0.00 C HETATM 17 CD1 IIL A 2 -4.196 -1.316 -4.673 1.00 0.00 C HETATM 0 HG23 IIL A 2 -1.195 1.159 -4.993 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.731 0.803 -3.312 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.105 -0.528 -4.434 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -4.565 0.789 -4.997 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -3.151 0.178 -5.834 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -3.337 -1.983 -4.599 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -4.772 -1.363 -3.749 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -4.824 -1.625 -5.508 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.995 -0.115 -2.883 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.463 2.356 -2.601 1.00 0.00 H new ATOM 29 N VAL A 3 -4.301 3.083 -5.178 1.00 0.00 N ATOM 30 CA VAL A 3 -4.350 3.934 -6.399 1.00 0.00 C ATOM 31 C VAL A 3 -4.369 5.414 -6.007 1.00 0.00 C ATOM 32 O VAL A 3 -3.797 6.249 -6.678 1.00 0.00 O ATOM 33 CB VAL A 3 -5.617 3.605 -7.191 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.677 4.483 -8.440 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.593 2.131 -7.605 1.00 0.00 C ATOM 0 H VAL A 3 -5.198 2.698 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.468 3.737 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.493 3.793 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.579 4.250 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.694 5.533 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.801 4.294 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.496 1.897 -8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.718 1.942 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.549 1.504 -6.715 1.00 0.00 H new ATOM 45 N GLU A 4 -5.031 5.748 -4.933 1.00 0.00 N ATOM 46 CA GLU A 4 -5.095 7.177 -4.513 1.00 0.00 C ATOM 47 C GLU A 4 -3.800 7.575 -3.799 1.00 0.00 C ATOM 48 O GLU A 4 -3.630 8.710 -3.396 1.00 0.00 O ATOM 49 CB GLU A 4 -6.276 7.377 -3.562 1.00 0.00 C ATOM 50 CG GLU A 4 -7.488 6.595 -4.074 1.00 0.00 C ATOM 51 CD GLU A 4 -7.859 7.091 -5.473 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.296 8.224 -5.583 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.699 6.328 -6.412 1.00 0.00 O ATOM 0 H GLU A 4 -5.530 5.095 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.223 7.800 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.010 7.040 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.520 8.437 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.261 5.529 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.331 6.724 -3.395 1.00 0.00 H new ATOM 60 N GLN A 5 -2.888 6.659 -3.628 1.00 0.00 N ATOM 61 CA GLN A 5 -1.620 7.002 -2.929 1.00 0.00 C ATOM 62 C GLN A 5 -0.472 7.109 -3.938 1.00 0.00 C ATOM 63 O GLN A 5 0.211 8.113 -4.007 1.00 0.00 O ATOM 64 CB GLN A 5 -1.298 5.916 -1.903 1.00 0.00 C ATOM 65 CG GLN A 5 0.020 6.255 -1.208 1.00 0.00 C ATOM 66 CD GLN A 5 -0.258 7.147 0.002 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.056 6.807 0.852 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.371 8.285 0.116 1.00 0.00 N ATOM 0 H GLN A 5 -2.966 5.691 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.739 7.962 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.101 5.842 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.225 4.946 -2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.523 5.341 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.689 6.763 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.041 8.571 -0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.192 8.888 0.919 1.00 0.00 H new ATOM 77 N CYS A 6 -0.242 6.085 -4.714 1.00 0.00 N ATOM 78 CA CYS A 6 0.873 6.137 -5.704 1.00 0.00 C ATOM 79 C CYS A 6 0.479 7.026 -6.884 1.00 0.00 C ATOM 80 O CYS A 6 1.306 7.411 -7.686 1.00 0.00 O ATOM 81 CB CYS A 6 1.176 4.725 -6.209 1.00 0.00 C ATOM 82 SG CYS A 6 1.207 3.582 -4.807 1.00 0.00 S ATOM 0 H CYS A 6 -0.776 5.216 -4.706 1.00 0.00 H new ATOM 0 HA CYS A 6 1.759 6.550 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.420 4.414 -6.930 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.135 4.710 -6.727 1.00 0.00 H new ATOM 87 N CYS A 7 -0.776 7.358 -6.999 1.00 0.00 N ATOM 88 CA CYS A 7 -1.211 8.224 -8.128 1.00 0.00 C ATOM 89 C CYS A 7 -1.346 9.664 -7.637 1.00 0.00 C ATOM 90 O CYS A 7 -1.171 10.604 -8.387 1.00 0.00 O ATOM 91 CB CYS A 7 -2.550 7.727 -8.674 1.00 0.00 C ATOM 92 SG CYS A 7 -2.900 8.560 -10.239 1.00 0.00 S ATOM 0 H CYS A 7 -1.517 7.068 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.470 8.185 -8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.518 6.648 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.346 7.927 -7.956 1.00 0.00 H new ATOM 97 N THR A 8 -1.638 9.847 -6.379 1.00 0.00 N ATOM 98 CA THR A 8 -1.761 11.229 -5.841 1.00 0.00 C ATOM 99 C THR A 8 -0.355 11.814 -5.688 1.00 0.00 C ATOM 100 O THR A 8 -0.159 13.012 -5.690 1.00 0.00 O ATOM 101 CB THR A 8 -2.456 11.187 -4.476 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.844 12.502 -4.102 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.499 10.617 -3.428 1.00 0.00 C ATOM 0 H THR A 8 -1.796 9.100 -5.702 1.00 0.00 H new ATOM 0 HA THR A 8 -2.351 11.847 -6.518 1.00 0.00 H new ATOM 0 HB THR A 8 -3.339 10.552 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.290 12.476 -3.230 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.996 10.588 -2.458 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.205 9.607 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.613 11.248 -3.363 1.00 0.00 H new ATOM 111 N SER A 9 0.623 10.959 -5.564 1.00 0.00 N ATOM 112 CA SER A 9 2.031 11.422 -5.419 1.00 0.00 C ATOM 113 C SER A 9 2.959 10.273 -5.815 1.00 0.00 C ATOM 114 O SER A 9 2.584 9.399 -6.570 1.00 0.00 O ATOM 115 CB SER A 9 2.296 11.815 -3.965 1.00 0.00 C ATOM 116 OG SER A 9 1.304 12.740 -3.538 1.00 0.00 O ATOM 0 H SER A 9 0.504 9.946 -5.557 1.00 0.00 H new ATOM 0 HA SER A 9 2.209 12.287 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.282 10.930 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.287 12.259 -3.871 1.00 0.00 H new ATOM 0 HG SER A 9 0.927 13.199 -4.318 1.00 0.00 H new ATOM 122 N ILE A 10 4.161 10.250 -5.312 1.00 0.00 N ATOM 123 CA ILE A 10 5.081 9.139 -5.674 1.00 0.00 C ATOM 124 C ILE A 10 4.715 7.903 -4.838 1.00 0.00 C ATOM 125 O ILE A 10 3.795 7.937 -4.045 1.00 0.00 O ATOM 126 CB ILE A 10 6.534 9.580 -5.418 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.429 9.047 -6.538 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.042 9.055 -4.070 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.741 9.831 -6.550 1.00 0.00 C ATOM 0 H ILE A 10 4.543 10.946 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 10 4.985 8.886 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 10 6.564 10.669 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.627 7.986 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.925 9.144 -7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.070 9.382 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.414 9.444 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.003 7.966 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.382 9.455 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.532 10.887 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.245 9.711 -5.591 1.00 0.00 H new ATOM 141 N CYS A 11 5.412 6.815 -5.010 1.00 0.00 N ATOM 142 CA CYS A 11 5.075 5.596 -4.220 1.00 0.00 C ATOM 143 C CYS A 11 6.304 4.694 -4.092 1.00 0.00 C ATOM 144 O CYS A 11 7.342 4.952 -4.669 1.00 0.00 O ATOM 145 CB CYS A 11 3.957 4.829 -4.928 1.00 0.00 C ATOM 146 SG CYS A 11 2.782 4.200 -3.703 1.00 0.00 S ATOM 0 H CYS A 11 6.194 6.716 -5.657 1.00 0.00 H new ATOM 0 HA CYS A 11 4.748 5.896 -3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.446 5.482 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.376 4.003 -5.502 1.00 0.00 H new ATOM 151 N SER A 12 6.186 3.636 -3.340 1.00 0.00 N ATOM 152 CA SER A 12 7.335 2.705 -3.170 1.00 0.00 C ATOM 153 C SER A 12 6.872 1.282 -3.482 1.00 0.00 C ATOM 154 O SER A 12 5.775 0.884 -3.140 1.00 0.00 O ATOM 155 CB SER A 12 7.839 2.774 -1.728 1.00 0.00 C ATOM 156 OG SER A 12 6.817 3.310 -0.897 1.00 0.00 O ATOM 0 H SER A 12 5.340 3.375 -2.834 1.00 0.00 H new ATOM 0 HA SER A 12 8.142 2.987 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.121 1.780 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.732 3.396 -1.672 1.00 0.00 H new ATOM 0 HG SER A 12 7.137 3.354 0.028 1.00 0.00 H new ATOM 162 N LEU A 13 7.697 0.511 -4.133 1.00 0.00 N ATOM 163 CA LEU A 13 7.301 -0.883 -4.473 1.00 0.00 C ATOM 164 C LEU A 13 7.178 -1.711 -3.191 1.00 0.00 C ATOM 165 O LEU A 13 6.628 -2.796 -3.191 1.00 0.00 O ATOM 166 CB LEU A 13 8.354 -1.501 -5.398 1.00 0.00 C ATOM 167 CG LEU A 13 9.629 -1.832 -4.616 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.180 -3.169 -5.108 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.672 -0.738 -4.849 1.00 0.00 C ATOM 0 H LEU A 13 8.629 0.786 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 13 6.338 -0.874 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.957 -2.406 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.586 -0.809 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 13 9.402 -1.893 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.088 -3.413 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.437 -3.950 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.409 -3.099 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.578 -0.975 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.905 -0.678 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.277 0.219 -4.509 1.00 0.00 H new ATOM 181 N TYR A 14 7.679 -1.210 -2.093 1.00 0.00 N ATOM 182 CA TYR A 14 7.578 -1.972 -0.822 1.00 0.00 C ATOM 183 C TYR A 14 6.117 -2.020 -0.406 1.00 0.00 C ATOM 184 O TYR A 14 5.582 -3.059 -0.076 1.00 0.00 O ATOM 185 CB TYR A 14 8.404 -1.283 0.265 1.00 0.00 C ATOM 186 CG TYR A 14 9.236 -2.319 0.990 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.259 -2.999 0.311 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.985 -2.604 2.340 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.028 -3.959 0.981 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.756 -3.565 3.009 1.00 0.00 C ATOM 191 CZ TYR A 14 10.777 -4.241 2.329 1.00 0.00 C ATOM 192 OH TYR A 14 11.534 -5.187 2.990 1.00 0.00 O ATOM 0 H TYR A 14 8.152 -0.309 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 14 7.961 -2.983 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.050 -0.525 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.747 -0.770 0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.453 -2.782 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.198 -2.083 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.815 -4.482 0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.563 -3.784 4.049 1.00 0.00 H new ATOM 0 HH TYR A 14 11.230 -5.259 3.919 1.00 0.00 H new ATOM 202 N GLN A 15 5.466 -0.901 -0.447 1.00 0.00 N ATOM 203 CA GLN A 15 4.028 -0.868 -0.086 1.00 0.00 C ATOM 204 C GLN A 15 3.238 -1.548 -1.204 1.00 0.00 C ATOM 205 O GLN A 15 2.094 -1.918 -1.039 1.00 0.00 O ATOM 206 CB GLN A 15 3.569 0.583 0.064 1.00 0.00 C ATOM 207 CG GLN A 15 4.216 1.196 1.307 1.00 0.00 C ATOM 208 CD GLN A 15 3.326 2.315 1.847 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.226 2.505 3.043 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.668 3.070 1.010 1.00 0.00 N ATOM 0 H GLN A 15 5.868 -0.003 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 15 3.864 -1.387 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.843 1.156 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.483 0.625 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.359 0.431 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.202 1.589 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.751 2.911 0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.070 3.819 1.360 1.00 0.00 H new ATOM 219 N LEU A 16 3.857 -1.720 -2.343 1.00 0.00 N ATOM 220 CA LEU A 16 3.173 -2.378 -3.485 1.00 0.00 C ATOM 221 C LEU A 16 3.041 -3.875 -3.198 1.00 0.00 C ATOM 222 O LEU A 16 2.178 -4.549 -3.726 1.00 0.00 O ATOM 223 CB LEU A 16 4.019 -2.173 -4.744 1.00 0.00 C ATOM 224 CG LEU A 16 3.551 -0.920 -5.485 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.317 -0.795 -6.803 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.054 -1.029 -5.777 1.00 0.00 C ATOM 0 H LEU A 16 4.817 -1.428 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 16 2.181 -1.949 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.071 -2.076 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.936 -3.044 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 16 3.738 -0.041 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.985 0.098 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.385 -0.719 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.128 -1.674 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.720 -0.136 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.867 -1.907 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.506 -1.122 -4.839 1.00 0.00 H new ATOM 238 N GLU A 17 3.897 -4.395 -2.366 1.00 0.00 N ATOM 239 CA GLU A 17 3.836 -5.848 -2.036 1.00 0.00 C ATOM 240 C GLU A 17 2.672 -6.110 -1.082 1.00 0.00 C ATOM 241 O GLU A 17 2.122 -7.193 -1.036 1.00 0.00 O ATOM 242 CB GLU A 17 5.145 -6.275 -1.367 1.00 0.00 C ATOM 243 CG GLU A 17 6.227 -6.472 -2.430 1.00 0.00 C ATOM 244 CD GLU A 17 6.007 -7.810 -3.143 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.873 -8.256 -3.184 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.977 -8.363 -3.635 1.00 0.00 O ATOM 0 H GLU A 17 4.640 -3.876 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 17 3.690 -6.420 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.461 -5.519 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.995 -7.200 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.197 -5.655 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.214 -6.452 -1.967 1.00 0.00 H new ATOM 253 N ASN A 18 2.295 -5.126 -0.318 1.00 0.00 N ATOM 254 CA ASN A 18 1.171 -5.312 0.639 1.00 0.00 C ATOM 255 C ASN A 18 -0.157 -5.312 -0.120 1.00 0.00 C ATOM 256 O ASN A 18 -1.214 -5.457 0.462 1.00 0.00 O ATOM 257 CB ASN A 18 1.180 -4.169 1.654 1.00 0.00 C ATOM 258 CG ASN A 18 1.862 -4.637 2.942 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.204 -4.943 3.916 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.165 -4.706 2.986 1.00 0.00 N ATOM 0 H ASN A 18 2.718 -4.198 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 18 1.288 -6.264 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.707 -3.308 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.160 -3.848 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.631 -5.017 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.717 -4.449 2.168 1.00 0.00 H new ATOM 267 N TYR A 19 -0.115 -5.156 -1.414 1.00 0.00 N ATOM 268 CA TYR A 19 -1.378 -5.153 -2.202 1.00 0.00 C ATOM 269 C TYR A 19 -1.421 -6.400 -3.083 1.00 0.00 C ATOM 270 O TYR A 19 -2.053 -6.423 -4.119 1.00 0.00 O ATOM 271 CB TYR A 19 -1.431 -3.900 -3.077 1.00 0.00 C ATOM 272 CG TYR A 19 -1.683 -2.697 -2.202 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.973 -2.441 -1.717 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.626 -1.840 -1.868 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.206 -1.329 -0.899 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.859 -0.727 -1.050 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.148 -0.470 -0.566 1.00 0.00 C ATOM 278 OH TYR A 19 -2.378 0.626 0.241 1.00 0.00 O ATOM 0 H TYR A 19 0.738 -5.031 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.234 -5.154 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.493 -3.780 -3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.221 -3.995 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.787 -3.102 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.368 -2.037 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.200 -1.133 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.044 -0.067 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.540 1.115 0.375 1.00 0.00 H new ATOM 288 N CYS A 20 -0.749 -7.441 -2.673 1.00 0.00 N ATOM 289 CA CYS A 20 -0.745 -8.692 -3.479 1.00 0.00 C ATOM 290 C CYS A 20 -1.797 -9.657 -2.932 1.00 0.00 C ATOM 291 O CYS A 20 -2.953 -9.605 -3.302 1.00 0.00 O ATOM 292 CB CYS A 20 0.641 -9.336 -3.400 1.00 0.00 C ATOM 293 SG CYS A 20 1.822 -8.336 -4.339 1.00 0.00 S ATOM 0 H CYS A 20 -0.202 -7.478 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.980 -8.461 -4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.959 -9.414 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.607 -10.349 -3.800 1.00 0.00 H new ATOM 298 N ASN A 21 -1.408 -10.536 -2.054 1.00 0.00 N ATOM 299 CA ASN A 21 -2.387 -11.503 -1.483 1.00 0.00 C ATOM 300 C ASN A 21 -1.751 -12.236 -0.300 1.00 0.00 C ATOM 301 O ASN A 21 -2.212 -12.037 0.812 1.00 0.00 O ATOM 302 CB ASN A 21 -2.784 -12.518 -2.557 1.00 0.00 C ATOM 303 CG ASN A 21 -4.131 -12.124 -3.165 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.007 -11.648 -2.471 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.334 -12.303 -4.440 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.814 -12.984 -0.526 1.00 0.00 O ATOM 0 H ASN A 21 -0.454 -10.628 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.273 -10.966 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.021 -12.557 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.848 -13.516 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.229 -12.043 -4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.598 -12.703 -5.022 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.784 0.276 -9.770 1.00 0.00 N ATOM 315 CA PHE B 1 12.506 -0.082 -8.517 1.00 0.00 C ATOM 316 C PHE B 1 12.949 1.196 -7.804 1.00 0.00 C ATOM 317 O PHE B 1 13.987 1.242 -7.176 1.00 0.00 O ATOM 318 CB PHE B 1 13.732 -0.929 -8.863 1.00 0.00 C ATOM 319 CG PHE B 1 14.340 -1.482 -7.592 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.571 -2.276 -6.729 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.679 -1.203 -7.275 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.137 -2.788 -5.554 1.00 0.00 C ATOM 323 CE2 PHE B 1 16.244 -1.718 -6.100 1.00 0.00 C ATOM 324 CZ PHE B 1 15.473 -2.510 -5.240 1.00 0.00 C ATOM 0 H1 PHE B 1 11.661 -0.575 -10.355 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.852 0.671 -9.533 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.335 0.982 -10.298 1.00 0.00 H new ATOM 0 HA PHE B 1 11.846 -0.651 -7.863 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.447 -1.745 -9.527 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.466 -0.325 -9.396 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.541 -2.493 -6.970 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.274 -0.591 -7.937 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.542 -3.398 -4.890 1.00 0.00 H new ATOM 0 HE2 PHE B 1 17.274 -1.504 -5.858 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.909 -2.906 -4.335 1.00 0.00 H new ATOM 336 N VAL B 2 12.167 2.236 -7.897 1.00 0.00 N ATOM 337 CA VAL B 2 12.537 3.514 -7.227 1.00 0.00 C ATOM 338 C VAL B 2 11.264 4.313 -6.944 1.00 0.00 C ATOM 339 O VAL B 2 10.166 3.810 -7.072 1.00 0.00 O ATOM 340 CB VAL B 2 13.463 4.329 -8.138 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.448 5.129 -7.283 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.244 3.386 -9.059 1.00 0.00 C ATOM 0 H VAL B 2 11.285 2.256 -8.410 1.00 0.00 H new ATOM 0 HA VAL B 2 13.056 3.301 -6.292 1.00 0.00 H new ATOM 0 HB VAL B 2 12.863 5.011 -8.741 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.106 5.708 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.897 5.805 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.044 4.445 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.901 3.969 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.842 2.702 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.546 2.815 -9.672 1.00 0.00 H new ATOM 352 N ASN B 3 11.397 5.552 -6.560 1.00 0.00 N ATOM 353 CA ASN B 3 10.186 6.372 -6.274 1.00 0.00 C ATOM 354 C ASN B 3 9.552 6.816 -7.594 1.00 0.00 C ATOM 355 O ASN B 3 10.041 7.707 -8.258 1.00 0.00 O ATOM 356 CB ASN B 3 10.584 7.605 -5.463 1.00 0.00 C ATOM 357 CG ASN B 3 11.411 7.176 -4.250 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.972 6.369 -3.456 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.599 7.686 -4.073 1.00 0.00 N ATOM 0 H ASN B 3 12.288 6.031 -6.432 1.00 0.00 H new ATOM 0 HA ASN B 3 9.471 5.778 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.160 8.291 -6.084 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.693 8.142 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.159 7.407 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.968 8.364 -4.740 1.00 0.00 H new ATOM 366 N GLN B 4 8.471 6.196 -7.986 1.00 0.00 N ATOM 367 CA GLN B 4 7.820 6.579 -9.264 1.00 0.00 C ATOM 368 C GLN B 4 6.316 6.756 -9.069 1.00 0.00 C ATOM 369 O GLN B 4 5.635 5.890 -8.558 1.00 0.00 O ATOM 370 CB GLN B 4 8.062 5.483 -10.292 1.00 0.00 C ATOM 371 CG GLN B 4 9.174 5.915 -11.245 1.00 0.00 C ATOM 372 CD GLN B 4 9.124 5.056 -12.509 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.738 5.525 -13.560 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.496 3.806 -12.449 1.00 0.00 N ATOM 0 H GLN B 4 8.014 5.442 -7.474 1.00 0.00 H new ATOM 0 HA GLN B 4 8.244 7.523 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.338 4.555 -9.792 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.147 5.285 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.058 6.968 -11.503 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.144 5.811 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.820 3.412 -11.566 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.462 3.223 -13.285 1.00 0.00 H new ATOM 383 N HIS B 5 5.795 7.871 -9.495 1.00 0.00 N ATOM 384 CA HIS B 5 4.337 8.117 -9.368 1.00 0.00 C ATOM 385 C HIS B 5 3.598 7.165 -10.303 1.00 0.00 C ATOM 386 O HIS B 5 3.823 7.154 -11.497 1.00 0.00 O ATOM 387 CB HIS B 5 4.053 9.569 -9.756 1.00 0.00 C ATOM 388 CG HIS B 5 2.599 9.744 -10.116 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.192 9.823 -11.433 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.481 9.855 -9.338 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.861 9.976 -11.416 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.382 10.002 -10.156 1.00 0.00 N ATOM 0 H HIS B 5 6.323 8.628 -9.929 1.00 0.00 H new ATOM 0 HA HIS B 5 4.002 7.946 -8.345 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.311 10.230 -8.929 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.680 9.855 -10.600 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.462 9.831 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.249 10.067 -12.301 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -0.591 10.108 -9.868 1.00 0.00 H new ATOM 400 N LEU B 6 2.732 6.355 -9.769 1.00 0.00 N ATOM 401 CA LEU B 6 1.997 5.389 -10.628 1.00 0.00 C ATOM 402 C LEU B 6 0.490 5.619 -10.517 1.00 0.00 C ATOM 403 O LEU B 6 0.017 6.319 -9.647 1.00 0.00 O ATOM 404 CB LEU B 6 2.333 3.968 -10.168 1.00 0.00 C ATOM 405 CG LEU B 6 3.520 3.417 -10.970 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.527 4.529 -11.272 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.217 2.334 -10.150 1.00 0.00 C ATOM 0 H LEU B 6 2.501 6.319 -8.776 1.00 0.00 H new ATOM 0 HA LEU B 6 2.295 5.529 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.573 3.969 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.465 3.321 -10.298 1.00 0.00 H new ATOM 0 HG LEU B 6 3.148 3.007 -11.909 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.362 4.119 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.041 5.312 -11.854 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.897 4.949 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.062 1.938 -10.714 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.574 2.761 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.513 1.529 -9.937 1.00 0.00 H new ATOM 419 N CYS B 7 -0.262 5.021 -11.397 1.00 0.00 N ATOM 420 CA CYS B 7 -1.739 5.181 -11.369 1.00 0.00 C ATOM 421 C CYS B 7 -2.370 3.922 -11.970 1.00 0.00 C ATOM 422 O CYS B 7 -1.730 2.905 -12.064 1.00 0.00 O ATOM 423 CB CYS B 7 -2.142 6.399 -12.204 1.00 0.00 C ATOM 424 SG CYS B 7 -1.445 7.899 -11.472 1.00 0.00 S ATOM 0 H CYS B 7 0.090 4.421 -12.143 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.080 5.325 -10.344 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.786 6.284 -13.228 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.228 6.477 -12.251 1.00 0.00 H new ATOM 429 N GLY B 8 -3.610 3.993 -12.378 1.00 0.00 N ATOM 430 CA GLY B 8 -4.299 2.802 -12.978 1.00 0.00 C ATOM 431 C GLY B 8 -3.293 1.815 -13.590 1.00 0.00 C ATOM 432 O GLY B 8 -2.687 1.016 -12.900 1.00 0.00 O ATOM 0 H GLY B 8 -4.185 4.834 -12.322 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.886 2.296 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.997 3.134 -13.746 1.00 0.00 H new ATOM 436 N SER B 9 -3.123 1.854 -14.879 1.00 0.00 N ATOM 437 CA SER B 9 -2.175 0.911 -15.544 1.00 0.00 C ATOM 438 C SER B 9 -0.792 0.967 -14.881 1.00 0.00 C ATOM 439 O SER B 9 -0.354 0.021 -14.257 1.00 0.00 O ATOM 440 CB SER B 9 -2.038 1.292 -17.018 1.00 0.00 C ATOM 441 OG SER B 9 -1.004 0.514 -17.610 1.00 0.00 O ATOM 0 H SER B 9 -3.601 2.500 -15.507 1.00 0.00 H new ATOM 0 HA SER B 9 -2.568 -0.101 -15.448 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.980 1.122 -17.539 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.809 2.354 -17.111 1.00 0.00 H new ATOM 0 HG SER B 9 -0.914 0.754 -18.556 1.00 0.00 H new ATOM 447 N ASP B 10 -0.094 2.057 -15.039 1.00 0.00 N ATOM 448 CA ASP B 10 1.275 2.175 -14.452 1.00 0.00 C ATOM 449 C ASP B 10 1.339 1.540 -13.054 1.00 0.00 C ATOM 450 O ASP B 10 2.267 0.818 -12.742 1.00 0.00 O ATOM 451 CB ASP B 10 1.665 3.653 -14.368 1.00 0.00 C ATOM 452 CG ASP B 10 1.336 4.342 -15.694 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.172 4.304 -16.583 1.00 0.00 O ATOM 454 OD2 ASP B 10 0.254 4.894 -15.801 1.00 0.00 O ATOM 0 H ASP B 10 -0.413 2.878 -15.553 1.00 0.00 H new ATOM 0 HA ASP B 10 1.974 1.641 -15.096 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.128 4.136 -13.552 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.729 3.748 -14.150 1.00 0.00 H new ATOM 459 N LEU B 11 0.373 1.786 -12.207 1.00 0.00 N ATOM 460 CA LEU B 11 0.418 1.174 -10.846 1.00 0.00 C ATOM 461 C LEU B 11 0.073 -0.309 -10.972 1.00 0.00 C ATOM 462 O LEU B 11 0.570 -1.140 -10.238 1.00 0.00 O ATOM 463 CB LEU B 11 -0.589 1.868 -9.912 1.00 0.00 C ATOM 464 CG LEU B 11 0.003 2.060 -8.506 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.129 2.063 -7.479 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.970 0.927 -8.169 1.00 0.00 C ATOM 0 H LEU B 11 -0.436 2.377 -12.396 1.00 0.00 H new ATOM 0 HA LEU B 11 1.415 1.294 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.868 2.836 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.500 1.274 -9.848 1.00 0.00 H new ATOM 0 HG LEU B 11 0.542 3.007 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.714 2.199 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.818 2.878 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.663 1.114 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.378 1.082 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.440 -0.025 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.783 0.915 -8.895 1.00 0.00 H new ATOM 478 N VAL B 12 -0.759 -0.650 -11.915 1.00 0.00 N ATOM 479 CA VAL B 12 -1.116 -2.079 -12.102 1.00 0.00 C ATOM 480 C VAL B 12 0.107 -2.805 -12.660 1.00 0.00 C ATOM 481 O VAL B 12 0.416 -3.915 -12.275 1.00 0.00 O ATOM 482 CB VAL B 12 -2.286 -2.183 -13.085 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.364 -3.602 -13.658 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.590 -1.861 -12.354 1.00 0.00 C ATOM 0 H VAL B 12 -1.206 -0.001 -12.562 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.414 -2.530 -11.155 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.133 -1.475 -13.900 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.199 -3.667 -14.356 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.436 -3.835 -14.180 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.513 -4.314 -12.847 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.425 -1.934 -13.051 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.735 -2.570 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.541 -0.849 -11.951 1.00 0.00 H new ATOM 494 N GLU B 13 0.815 -2.173 -13.555 1.00 0.00 N ATOM 495 CA GLU B 13 2.029 -2.808 -14.131 1.00 0.00 C ATOM 496 C GLU B 13 2.966 -3.194 -12.988 1.00 0.00 C ATOM 497 O GLU B 13 3.539 -4.265 -12.974 1.00 0.00 O ATOM 498 CB GLU B 13 2.729 -1.815 -15.058 1.00 0.00 C ATOM 499 CG GLU B 13 2.013 -1.789 -16.410 1.00 0.00 C ATOM 500 CD GLU B 13 3.047 -1.762 -17.536 1.00 0.00 C ATOM 501 OE1 GLU B 13 4.228 -1.793 -17.229 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.642 -1.711 -18.685 1.00 0.00 O ATOM 0 H GLU B 13 0.603 -1.241 -13.912 1.00 0.00 H new ATOM 0 HA GLU B 13 1.755 -3.696 -14.701 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.725 -0.820 -14.613 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.773 -2.100 -15.192 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.373 -2.665 -16.511 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.367 -0.913 -16.474 1.00 0.00 H new ATOM 509 N ALA B 14 3.116 -2.329 -12.021 1.00 0.00 N ATOM 510 CA ALA B 14 4.004 -2.651 -10.871 1.00 0.00 C ATOM 511 C ALA B 14 3.414 -3.837 -10.107 1.00 0.00 C ATOM 512 O ALA B 14 4.044 -4.865 -9.954 1.00 0.00 O ATOM 513 CB ALA B 14 4.099 -1.440 -9.942 1.00 0.00 C ATOM 0 H ALA B 14 2.663 -1.416 -11.979 1.00 0.00 H new ATOM 0 HA ALA B 14 5.001 -2.903 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.750 -1.677 -9.100 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.510 -0.592 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.106 -1.186 -9.572 1.00 0.00 H new ATOM 519 N LEU B 15 2.203 -3.707 -9.634 1.00 0.00 N ATOM 520 CA LEU B 15 1.570 -4.830 -8.893 1.00 0.00 C ATOM 521 C LEU B 15 1.754 -6.119 -9.693 1.00 0.00 C ATOM 522 O LEU B 15 2.116 -7.150 -9.161 1.00 0.00 O ATOM 523 CB LEU B 15 0.078 -4.547 -8.721 1.00 0.00 C ATOM 524 CG LEU B 15 -0.117 -3.447 -7.677 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.469 -2.766 -7.898 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.081 -4.065 -6.278 1.00 0.00 C ATOM 0 H LEU B 15 1.627 -2.871 -9.730 1.00 0.00 H new ATOM 0 HA LEU B 15 2.034 -4.935 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.357 -4.241 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.441 -5.454 -8.410 1.00 0.00 H new ATOM 0 HG LEU B 15 0.680 -2.709 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.608 -1.982 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.497 -2.328 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.267 -3.502 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.220 -3.283 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.879 -4.801 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.882 -4.551 -6.120 1.00 0.00 H new ATOM 538 N TYR B 16 1.511 -6.064 -10.973 1.00 0.00 N ATOM 539 CA TYR B 16 1.673 -7.278 -11.821 1.00 0.00 C ATOM 540 C TYR B 16 3.125 -7.755 -11.749 1.00 0.00 C ATOM 541 O TYR B 16 3.400 -8.938 -11.736 1.00 0.00 O ATOM 542 CB TYR B 16 1.322 -6.932 -13.269 1.00 0.00 C ATOM 543 CG TYR B 16 0.229 -7.857 -13.758 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.221 -9.205 -13.370 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.780 -7.368 -14.601 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.792 -10.060 -13.824 1.00 0.00 C ATOM 547 CE2 TYR B 16 -1.793 -8.224 -15.054 1.00 0.00 C ATOM 548 CZ TYR B 16 -1.798 -9.569 -14.666 1.00 0.00 C ATOM 549 OH TYR B 16 -2.795 -10.411 -15.113 1.00 0.00 O ATOM 0 H TYR B 16 1.206 -5.227 -11.470 1.00 0.00 H new ATOM 0 HA TYR B 16 1.012 -8.067 -11.463 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.993 -5.895 -13.337 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.205 -7.028 -13.901 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.996 -9.584 -12.721 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.776 -6.331 -14.901 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.797 -11.098 -13.525 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.570 -7.846 -15.702 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.413 -9.911 -15.686 1.00 0.00 H new ATOM 559 N LEU B 17 4.055 -6.841 -11.705 1.00 0.00 N ATOM 560 CA LEU B 17 5.488 -7.239 -11.635 1.00 0.00 C ATOM 561 C LEU B 17 5.919 -7.342 -10.170 1.00 0.00 C ATOM 562 O LEU B 17 7.014 -7.771 -9.864 1.00 0.00 O ATOM 563 CB LEU B 17 6.342 -6.185 -12.345 1.00 0.00 C ATOM 564 CG LEU B 17 6.263 -6.397 -13.857 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.582 -5.084 -14.577 1.00 0.00 C ATOM 566 CD2 LEU B 17 7.277 -7.464 -14.272 1.00 0.00 C ATOM 0 H LEU B 17 3.884 -5.836 -11.715 1.00 0.00 H new ATOM 0 HA LEU B 17 5.622 -8.206 -12.121 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.992 -5.185 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.377 -6.255 -12.011 1.00 0.00 H new ATOM 0 HG LEU B 17 5.258 -6.722 -14.126 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.525 -5.237 -15.655 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.861 -4.322 -14.280 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.587 -4.757 -14.309 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.223 -7.618 -15.350 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.281 -7.137 -14.002 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.051 -8.400 -13.761 1.00 0.00 H new ATOM 578 N VAL B 18 5.068 -6.950 -9.262 1.00 0.00 N ATOM 579 CA VAL B 18 5.429 -7.024 -7.819 1.00 0.00 C ATOM 580 C VAL B 18 5.017 -8.387 -7.262 1.00 0.00 C ATOM 581 O VAL B 18 5.826 -9.124 -6.732 1.00 0.00 O ATOM 582 CB VAL B 18 4.689 -5.924 -7.056 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.990 -6.051 -5.564 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.152 -4.555 -7.556 1.00 0.00 C ATOM 0 H VAL B 18 4.137 -6.581 -9.458 1.00 0.00 H new ATOM 0 HA VAL B 18 6.505 -6.891 -7.705 1.00 0.00 H new ATOM 0 HB VAL B 18 3.616 -6.025 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.463 -5.268 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.659 -7.027 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.063 -5.949 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.624 -3.771 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.225 -4.451 -7.392 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.937 -4.465 -8.621 1.00 0.00 H new ATOM 594 N CYS B 19 3.763 -8.724 -7.375 1.00 0.00 N ATOM 595 CA CYS B 19 3.291 -10.035 -6.851 1.00 0.00 C ATOM 596 C CYS B 19 3.803 -11.160 -7.753 1.00 0.00 C ATOM 597 O CYS B 19 4.593 -11.987 -7.342 1.00 0.00 O ATOM 598 CB CYS B 19 1.763 -10.049 -6.833 1.00 0.00 C ATOM 599 SG CYS B 19 1.158 -8.448 -6.243 1.00 0.00 S ATOM 0 H CYS B 19 3.043 -8.146 -7.809 1.00 0.00 H new ATOM 0 HA CYS B 19 3.670 -10.183 -5.840 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.378 -10.251 -7.833 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.403 -10.848 -6.185 1.00 0.00 H new ATOM 604 N GLY B 20 3.363 -11.195 -8.980 1.00 0.00 N ATOM 605 CA GLY B 20 3.827 -12.265 -9.909 1.00 0.00 C ATOM 606 C GLY B 20 3.046 -13.554 -9.648 1.00 0.00 C ATOM 607 O GLY B 20 2.196 -13.944 -10.423 1.00 0.00 O ATOM 0 H GLY B 20 2.702 -10.529 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.687 -11.948 -10.942 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.894 -12.441 -9.771 1.00 0.00 H new ATOM 611 N GLU B 21 3.330 -14.221 -8.564 1.00 0.00 N ATOM 612 CA GLU B 21 2.606 -15.487 -8.257 1.00 0.00 C ATOM 613 C GLU B 21 1.453 -15.199 -7.295 1.00 0.00 C ATOM 614 O GLU B 21 0.302 -15.455 -7.594 1.00 0.00 O ATOM 615 CB GLU B 21 3.576 -16.478 -7.607 1.00 0.00 C ATOM 616 CG GLU B 21 4.853 -16.569 -8.444 1.00 0.00 C ATOM 617 CD GLU B 21 4.844 -17.868 -9.251 1.00 0.00 C ATOM 618 OE1 GLU B 21 3.857 -18.117 -9.924 1.00 0.00 O ATOM 619 OE2 GLU B 21 5.823 -18.592 -9.181 1.00 0.00 O ATOM 0 H GLU B 21 4.032 -13.945 -7.877 1.00 0.00 H new ATOM 0 HA GLU B 21 2.209 -15.912 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.816 -16.156 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.110 -17.460 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.922 -15.713 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.728 -16.538 -7.795 1.00 0.00 H new ATOM 626 N ARG B 22 1.756 -14.674 -6.142 1.00 0.00 N ATOM 627 CA ARG B 22 0.687 -14.367 -5.148 1.00 0.00 C ATOM 628 C ARG B 22 -0.528 -13.765 -5.860 1.00 0.00 C ATOM 629 O ARG B 22 -1.660 -14.059 -5.529 1.00 0.00 O ATOM 630 CB ARG B 22 1.222 -13.364 -4.123 1.00 0.00 C ATOM 631 CG ARG B 22 2.638 -13.767 -3.707 1.00 0.00 C ATOM 632 CD ARG B 22 2.757 -13.721 -2.184 1.00 0.00 C ATOM 633 NE ARG B 22 2.985 -15.098 -1.662 1.00 0.00 N ATOM 634 CZ ARG B 22 2.924 -15.329 -0.378 1.00 0.00 C ATOM 635 NH1 ARG B 22 3.959 -15.090 0.378 1.00 0.00 N ATOM 636 NH2 ARG B 22 1.827 -15.803 0.146 1.00 0.00 N ATOM 0 H ARG B 22 2.703 -14.442 -5.842 1.00 0.00 H new ATOM 0 HA ARG B 22 0.389 -15.287 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.228 -12.361 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.569 -13.336 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.863 -14.770 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.366 -13.094 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.580 -13.069 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.849 -13.302 -1.750 1.00 0.00 H new ATOM 0 HE ARG B 22 3.189 -15.861 -2.308 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.817 -14.722 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.911 -15.271 1.381 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.019 -15.993 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.778 -15.984 1.149 1.00 0.00 H new ATOM 650 N GLY B 23 -0.303 -12.922 -6.830 1.00 0.00 N ATOM 651 CA GLY B 23 -1.446 -12.299 -7.555 1.00 0.00 C ATOM 652 C GLY B 23 -1.709 -10.905 -6.985 1.00 0.00 C ATOM 653 O GLY B 23 -0.850 -10.309 -6.367 1.00 0.00 O ATOM 0 H GLY B 23 0.622 -12.638 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.223 -12.232 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.337 -12.919 -7.454 1.00 0.00 H new ATOM 657 N PHE B 24 -2.890 -10.384 -7.177 1.00 0.00 N ATOM 658 CA PHE B 24 -3.200 -9.026 -6.634 1.00 0.00 C ATOM 659 C PHE B 24 -4.613 -8.605 -7.054 1.00 0.00 C ATOM 660 O PHE B 24 -5.290 -9.300 -7.787 1.00 0.00 O ATOM 661 CB PHE B 24 -2.153 -8.008 -7.146 1.00 0.00 C ATOM 662 CG PHE B 24 -2.655 -7.277 -8.388 1.00 0.00 C ATOM 663 CD1 PHE B 24 -2.610 -7.902 -9.644 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.169 -5.970 -8.282 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.072 -7.230 -10.783 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.631 -5.303 -9.424 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.582 -5.932 -10.672 1.00 0.00 C ATOM 0 H PHE B 24 -3.652 -10.835 -7.683 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.158 -9.053 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.930 -7.286 -6.361 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.222 -8.525 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.218 -8.904 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.207 -5.482 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.034 -7.714 -11.748 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.026 -4.301 -9.340 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.938 -5.415 -11.551 1.00 0.00 H new ATOM 677 N PHE B 25 -5.055 -7.468 -6.595 1.00 0.00 N ATOM 678 CA PHE B 25 -6.417 -6.989 -6.962 1.00 0.00 C ATOM 679 C PHE B 25 -6.449 -5.462 -6.892 1.00 0.00 C ATOM 680 O PHE B 25 -6.431 -4.878 -5.827 1.00 0.00 O ATOM 681 CB PHE B 25 -7.439 -7.568 -5.984 1.00 0.00 C ATOM 682 CG PHE B 25 -7.062 -7.183 -4.573 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.040 -7.873 -3.907 1.00 0.00 C ATOM 684 CD2 PHE B 25 -7.735 -6.135 -3.930 1.00 0.00 C ATOM 685 CE1 PHE B 25 -5.692 -7.515 -2.597 1.00 0.00 C ATOM 686 CE2 PHE B 25 -7.387 -5.779 -2.621 1.00 0.00 C ATOM 687 CZ PHE B 25 -6.366 -6.469 -1.954 1.00 0.00 C ATOM 0 H PHE B 25 -4.530 -6.847 -5.979 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.661 -7.313 -7.974 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.436 -7.195 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.474 -8.653 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.521 -8.680 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.522 -5.602 -4.444 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.904 -8.046 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.906 -4.972 -2.125 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.099 -6.194 -0.944 1.00 0.00 H new ATOM 697 N TYR B 26 -6.492 -4.807 -8.020 1.00 0.00 N ATOM 698 CA TYR B 26 -6.519 -3.317 -8.019 1.00 0.00 C ATOM 699 C TYR B 26 -7.676 -2.825 -7.147 1.00 0.00 C ATOM 700 O TYR B 26 -8.748 -3.397 -7.139 1.00 0.00 O ATOM 701 CB TYR B 26 -6.709 -2.807 -9.448 1.00 0.00 C ATOM 702 CG TYR B 26 -5.860 -1.579 -9.662 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.515 -1.581 -9.269 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.415 -0.436 -10.254 1.00 0.00 C ATOM 705 CE1 TYR B 26 -3.725 -0.443 -9.469 1.00 0.00 C ATOM 706 CE2 TYR B 26 -5.625 0.703 -10.455 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.280 0.700 -10.062 1.00 0.00 C ATOM 708 OH TYR B 26 -3.500 1.823 -10.258 1.00 0.00 O ATOM 0 H TYR B 26 -6.510 -5.240 -8.943 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.577 -2.940 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.432 -3.583 -10.162 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.759 -2.572 -9.625 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.088 -2.461 -8.812 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.452 -0.434 -10.555 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.688 -0.445 -9.167 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.052 1.583 -10.913 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.942 1.699 -11.054 1.00 0.00 H new ATOM 718 N THR B 27 -7.468 -1.763 -6.416 1.00 0.00 N ATOM 719 CA THR B 27 -8.557 -1.229 -5.550 1.00 0.00 C ATOM 720 C THR B 27 -9.375 -0.204 -6.340 1.00 0.00 C ATOM 721 O THR B 27 -9.092 0.075 -7.489 1.00 0.00 O ATOM 722 CB THR B 27 -7.947 -0.556 -4.318 1.00 0.00 C ATOM 723 OG1 THR B 27 -6.948 0.366 -4.731 1.00 0.00 O ATOM 724 CG2 THR B 27 -7.324 -1.617 -3.410 1.00 0.00 C ATOM 0 H THR B 27 -6.591 -1.243 -6.381 1.00 0.00 H new ATOM 0 HA THR B 27 -9.204 -2.046 -5.232 1.00 0.00 H new ATOM 0 HB THR B 27 -8.726 -0.026 -3.769 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.557 0.799 -3.944 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.890 -1.136 -2.533 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.093 -2.322 -3.094 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.545 -2.150 -3.955 1.00 0.00 H new ATOM 732 N LYS B 28 -10.386 0.358 -5.736 1.00 0.00 N ATOM 733 CA LYS B 28 -11.216 1.363 -6.459 1.00 0.00 C ATOM 734 C LYS B 28 -12.175 2.045 -5.476 1.00 0.00 C ATOM 735 O LYS B 28 -13.360 1.776 -5.482 1.00 0.00 O ATOM 736 CB LYS B 28 -12.024 0.664 -7.553 1.00 0.00 C ATOM 737 CG LYS B 28 -11.491 1.081 -8.924 1.00 0.00 C ATOM 738 CD LYS B 28 -11.981 2.491 -9.259 1.00 0.00 C ATOM 739 CE LYS B 28 -11.403 2.923 -10.607 1.00 0.00 C ATOM 740 NZ LYS B 28 -11.708 1.886 -11.632 1.00 0.00 N ATOM 0 H LYS B 28 -10.673 0.166 -4.776 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.564 2.113 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.954 -0.418 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.078 0.926 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.401 1.054 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.828 0.378 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.070 2.510 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.675 3.189 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.827 3.882 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.325 3.063 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.797 2.336 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.939 1.186 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.601 1.411 -11.390 1.00 0.00 H new ATOM 754 N PRO B 29 -11.630 2.912 -4.663 1.00 0.00 N ATOM 755 CA PRO B 29 -12.408 3.661 -3.662 1.00 0.00 C ATOM 756 C PRO B 29 -13.141 4.831 -4.323 1.00 0.00 C ATOM 757 O PRO B 29 -12.557 5.611 -5.050 1.00 0.00 O ATOM 758 CB PRO B 29 -11.342 4.168 -2.687 1.00 0.00 C ATOM 759 CG PRO B 29 -10.005 4.177 -3.466 1.00 0.00 C ATOM 760 CD PRO B 29 -10.186 3.226 -4.665 1.00 0.00 C ATOM 0 HA PRO B 29 -13.174 3.058 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.588 5.167 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.277 3.521 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.761 5.184 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.184 3.846 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.883 3.700 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.582 2.325 -4.554 1.00 0.00 H new ATOM 768 N THR B 30 -14.415 4.961 -4.077 1.00 0.00 N ATOM 769 CA THR B 30 -15.180 6.083 -4.692 1.00 0.00 C ATOM 770 C THR B 30 -14.712 7.408 -4.088 1.00 0.00 C ATOM 771 O THR B 30 -13.521 7.667 -4.134 1.00 0.00 O ATOM 772 CB THR B 30 -16.676 5.894 -4.417 1.00 0.00 C ATOM 773 OG1 THR B 30 -17.406 6.991 -4.957 1.00 0.00 O ATOM 774 CG2 THR B 30 -16.913 5.817 -2.909 1.00 0.00 C ATOM 775 OXT THR B 30 -15.550 8.139 -3.588 1.00 0.00 O ATOM 0 H THR B 30 -14.959 4.340 -3.478 1.00 0.00 H new ATOM 0 HA THR B 30 -15.009 6.094 -5.768 1.00 0.00 H new ATOM 0 HB THR B 30 -17.014 4.970 -4.886 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.084 7.826 -4.559 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.977 5.683 -2.714 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.359 4.974 -2.496 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.572 6.740 -2.440 1.00 0.00 H new TER 783 THR B 30