USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 THR OG1 : rot 180:sc=-0.00978 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0145 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.18! C(o=-3.2!,f=-7.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 19 TYR OH : rot -140:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0739 F(o=-1.4,f=-0.074) USER MOD Single : B 1 PHE N :NH3+ -114:sc= -0.32 (180deg=-0.896!) USER MOD Single : B 3 ASN : amide:sc= -0.857 K(o=-0.86,f=-4!) USER MOD Single : B 4 GLN : amide:sc= -0.318 K(o=-0.32,f=-3.6!) USER MOD Single : B 5 HIS : no HD1:sc= -3.92! K(o=-3.9!,f=-4.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0.041 USER MOD Single : B 10 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.012) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -1.99 F(o=-5.3,f=-2) USER MOD Single : B 26 TYR OH : rot 180:sc= -2.82! USER MOD Single : B 27 THR OG1 : rot -70:sc= 1.17 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0361 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.933 6.559 8.300 1.00 0.00 N ATOM 2 CA GLY A 1 -2.796 6.239 6.851 1.00 0.00 C ATOM 3 C GLY A 1 -1.460 5.543 6.604 1.00 0.00 C ATOM 4 O GLY A 1 -0.447 5.894 7.174 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.286 7.531 8.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.603 5.896 8.740 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.006 6.473 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.617 5.597 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.857 7.152 6.259 1.00 0.00 H new ATOM 10 N ILE A 2 -1.459 4.554 5.758 1.00 0.00 N ATOM 11 CA ILE A 2 -0.200 3.822 5.460 1.00 0.00 C ATOM 12 C ILE A 2 0.799 4.786 4.800 1.00 0.00 C ATOM 13 O ILE A 2 1.987 4.720 5.038 1.00 0.00 O ATOM 14 CB ILE A 2 -0.544 2.638 4.530 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.071 1.327 5.167 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.108 2.798 3.156 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.059 0.206 4.824 1.00 0.00 C ATOM 0 H ILE A 2 -2.282 4.219 5.257 1.00 0.00 H new ATOM 0 HA ILE A 2 0.260 3.436 6.370 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.625 2.620 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.925 1.072 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.004 1.442 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.155 1.947 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.247 3.717 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.191 2.844 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.723 -0.727 5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.046 0.461 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.111 0.086 3.742 1.00 0.00 H new ATOM 29 N VAL A 3 0.316 5.674 3.971 1.00 0.00 N ATOM 30 CA VAL A 3 1.223 6.641 3.284 1.00 0.00 C ATOM 31 C VAL A 3 2.288 7.142 4.260 1.00 0.00 C ATOM 32 O VAL A 3 3.423 7.367 3.890 1.00 0.00 O ATOM 33 CB VAL A 3 0.405 7.827 2.776 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.338 8.852 2.127 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.608 7.337 1.739 1.00 0.00 C ATOM 0 H VAL A 3 -0.672 5.772 3.739 1.00 0.00 H new ATOM 0 HA VAL A 3 1.711 6.142 2.447 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.120 8.291 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.754 9.698 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.063 9.200 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.862 8.389 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.193 8.181 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.080 6.875 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.273 6.605 2.198 1.00 0.00 H new ATOM 45 N GLU A 4 1.934 7.319 5.504 1.00 0.00 N ATOM 46 CA GLU A 4 2.933 7.803 6.499 1.00 0.00 C ATOM 47 C GLU A 4 3.718 6.612 7.050 1.00 0.00 C ATOM 48 O GLU A 4 3.916 6.482 8.241 1.00 0.00 O ATOM 49 CB GLU A 4 2.211 8.516 7.646 1.00 0.00 C ATOM 50 CG GLU A 4 1.483 9.748 7.106 1.00 0.00 C ATOM 51 CD GLU A 4 2.261 11.009 7.485 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.198 11.395 8.641 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.907 11.567 6.613 1.00 0.00 O ATOM 0 H GLU A 4 0.999 7.150 5.874 1.00 0.00 H new ATOM 0 HA GLU A 4 3.619 8.499 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.500 7.839 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.927 8.811 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.386 9.680 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.473 9.795 7.514 1.00 0.00 H new ATOM 60 N GLN A 5 4.164 5.740 6.187 1.00 0.00 N ATOM 61 CA GLN A 5 4.935 4.553 6.649 1.00 0.00 C ATOM 62 C GLN A 5 5.512 3.829 5.431 1.00 0.00 C ATOM 63 O GLN A 5 6.611 3.314 5.466 1.00 0.00 O ATOM 64 CB GLN A 5 4.005 3.610 7.412 1.00 0.00 C ATOM 65 CG GLN A 5 4.054 3.937 8.906 1.00 0.00 C ATOM 66 CD GLN A 5 2.691 4.461 9.359 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.946 5.009 8.571 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.331 4.319 10.604 1.00 0.00 N ATOM 0 H GLN A 5 4.026 5.800 5.178 1.00 0.00 H new ATOM 0 HA GLN A 5 5.745 4.870 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.985 3.710 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.304 2.575 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.321 3.047 9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.825 4.682 9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.956 3.859 11.266 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.425 4.668 10.916 1.00 0.00 H new ATOM 77 N CYS A 6 4.777 3.794 4.354 1.00 0.00 N ATOM 78 CA CYS A 6 5.275 3.112 3.128 1.00 0.00 C ATOM 79 C CYS A 6 5.884 4.150 2.184 1.00 0.00 C ATOM 80 O CYS A 6 6.920 3.934 1.588 1.00 0.00 O ATOM 81 CB CYS A 6 4.113 2.411 2.427 1.00 0.00 C ATOM 82 SG CYS A 6 3.236 1.363 3.613 1.00 0.00 S ATOM 0 H CYS A 6 3.850 4.210 4.271 1.00 0.00 H new ATOM 0 HA CYS A 6 6.031 2.377 3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.431 3.149 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.485 1.808 1.598 1.00 0.00 H new ATOM 87 N CYS A 7 5.245 5.280 2.046 1.00 0.00 N ATOM 88 CA CYS A 7 5.783 6.335 1.143 1.00 0.00 C ATOM 89 C CYS A 7 7.047 6.935 1.762 1.00 0.00 C ATOM 90 O CYS A 7 7.944 7.373 1.068 1.00 0.00 O ATOM 91 CB CYS A 7 4.732 7.432 0.956 1.00 0.00 C ATOM 92 SG CYS A 7 5.467 8.832 0.079 1.00 0.00 S ATOM 0 H CYS A 7 4.374 5.517 2.520 1.00 0.00 H new ATOM 0 HA CYS A 7 6.025 5.898 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.882 7.044 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.353 7.756 1.925 1.00 0.00 H new ATOM 97 N THR A 8 7.128 6.952 3.066 1.00 0.00 N ATOM 98 CA THR A 8 8.339 7.517 3.728 1.00 0.00 C ATOM 99 C THR A 8 9.368 6.403 3.929 1.00 0.00 C ATOM 100 O THR A 8 10.560 6.633 3.907 1.00 0.00 O ATOM 101 CB THR A 8 7.952 8.105 5.088 1.00 0.00 C ATOM 102 OG1 THR A 8 7.728 7.049 6.012 1.00 0.00 O ATOM 103 CG2 THR A 8 6.677 8.938 4.942 1.00 0.00 C ATOM 0 H THR A 8 6.410 6.600 3.699 1.00 0.00 H new ATOM 0 HA THR A 8 8.765 8.302 3.103 1.00 0.00 H new ATOM 0 HB THR A 8 8.758 8.742 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.482 7.424 6.883 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.403 9.356 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.851 9.748 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.868 8.304 4.578 1.00 0.00 H new ATOM 111 N SER A 9 8.913 5.194 4.120 1.00 0.00 N ATOM 112 CA SER A 9 9.860 4.061 4.318 1.00 0.00 C ATOM 113 C SER A 9 9.397 2.867 3.473 1.00 0.00 C ATOM 114 O SER A 9 8.918 3.031 2.369 1.00 0.00 O ATOM 115 CB SER A 9 9.885 3.669 5.797 1.00 0.00 C ATOM 116 OG SER A 9 9.645 4.824 6.590 1.00 0.00 O ATOM 0 H SER A 9 7.925 4.943 4.147 1.00 0.00 H new ATOM 0 HA SER A 9 10.862 4.359 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.127 2.911 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.850 3.231 6.053 1.00 0.00 H new ATOM 0 HG SER A 9 9.658 4.578 7.539 1.00 0.00 H new ATOM 122 N ILE A 10 9.529 1.670 3.977 1.00 0.00 N ATOM 123 CA ILE A 10 9.089 0.483 3.190 1.00 0.00 C ATOM 124 C ILE A 10 8.319 -0.476 4.102 1.00 0.00 C ATOM 125 O ILE A 10 8.896 -1.188 4.899 1.00 0.00 O ATOM 126 CB ILE A 10 10.314 -0.232 2.612 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.946 0.645 1.529 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.885 -1.567 2.005 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.350 0.127 1.209 1.00 0.00 C ATOM 0 H ILE A 10 9.921 1.463 4.896 1.00 0.00 H new ATOM 0 HA ILE A 10 8.442 0.807 2.375 1.00 0.00 H new ATOM 0 HB ILE A 10 11.041 -0.413 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.329 0.634 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.997 1.680 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.756 -2.076 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.432 -2.189 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.160 -1.389 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.801 0.751 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.964 0.161 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.286 -0.901 0.852 1.00 0.00 H new ATOM 141 N CYS A 11 7.018 -0.498 3.990 1.00 0.00 N ATOM 142 CA CYS A 11 6.211 -1.406 4.849 1.00 0.00 C ATOM 143 C CYS A 11 6.327 -2.842 4.333 1.00 0.00 C ATOM 144 O CYS A 11 7.155 -3.148 3.497 1.00 0.00 O ATOM 145 CB CYS A 11 4.745 -0.967 4.820 1.00 0.00 C ATOM 146 SG CYS A 11 4.653 0.835 4.954 1.00 0.00 S ATOM 0 H CYS A 11 6.480 0.075 3.339 1.00 0.00 H new ATOM 0 HA CYS A 11 6.583 -1.361 5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.273 -1.298 3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.199 -1.432 5.641 1.00 0.00 H new ATOM 151 N SER A 12 5.504 -3.725 4.827 1.00 0.00 N ATOM 152 CA SER A 12 5.568 -5.142 4.372 1.00 0.00 C ATOM 153 C SER A 12 4.244 -5.528 3.709 1.00 0.00 C ATOM 154 O SER A 12 3.340 -4.725 3.591 1.00 0.00 O ATOM 155 CB SER A 12 5.816 -6.044 5.583 1.00 0.00 C ATOM 156 OG SER A 12 5.085 -5.542 6.695 1.00 0.00 O ATOM 0 H SER A 12 4.789 -3.526 5.527 1.00 0.00 H new ATOM 0 HA SER A 12 6.378 -5.261 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.507 -7.065 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.880 -6.076 5.816 1.00 0.00 H new ATOM 0 HG SER A 12 5.238 -6.117 7.474 1.00 0.00 H new ATOM 162 N LEU A 13 4.118 -6.759 3.285 1.00 0.00 N ATOM 163 CA LEU A 13 2.848 -7.199 2.638 1.00 0.00 C ATOM 164 C LEU A 13 1.783 -7.429 3.715 1.00 0.00 C ATOM 165 O LEU A 13 0.675 -7.840 3.430 1.00 0.00 O ATOM 166 CB LEU A 13 3.094 -8.506 1.878 1.00 0.00 C ATOM 167 CG LEU A 13 2.859 -8.283 0.383 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.454 -7.721 0.164 1.00 0.00 C ATOM 169 CD2 LEU A 13 3.894 -7.289 -0.149 1.00 0.00 C ATOM 0 H LEU A 13 4.839 -7.477 3.359 1.00 0.00 H new ATOM 0 HA LEU A 13 2.505 -6.432 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.114 -8.851 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.428 -9.285 2.249 1.00 0.00 H new ATOM 0 HG LEU A 13 2.956 -9.231 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.288 -7.562 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.716 -8.427 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.355 -6.772 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.729 -7.128 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.795 -6.342 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.896 -7.689 0.007 1.00 0.00 H new ATOM 181 N TYR A 14 2.115 -7.174 4.953 1.00 0.00 N ATOM 182 CA TYR A 14 1.136 -7.380 6.056 1.00 0.00 C ATOM 183 C TYR A 14 0.475 -6.043 6.411 1.00 0.00 C ATOM 184 O TYR A 14 -0.628 -6.003 6.922 1.00 0.00 O ATOM 185 CB TYR A 14 1.885 -7.935 7.275 1.00 0.00 C ATOM 186 CG TYR A 14 1.083 -7.710 8.535 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.204 -8.247 8.654 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.632 -6.966 9.584 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.944 -8.037 9.824 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.893 -6.757 10.756 1.00 0.00 C ATOM 191 CZ TYR A 14 -0.395 -7.292 10.875 1.00 0.00 C ATOM 192 OH TYR A 14 -1.124 -7.084 12.027 1.00 0.00 O ATOM 0 H TYR A 14 3.029 -6.830 5.247 1.00 0.00 H new ATOM 0 HA TYR A 14 0.362 -8.083 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.071 -9.001 7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.857 -7.450 7.364 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.626 -8.823 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.625 -6.553 9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.938 -8.449 9.916 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.317 -6.183 11.567 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.596 -6.549 12.656 1.00 0.00 H new ATOM 202 N GLN A 15 1.138 -4.953 6.151 1.00 0.00 N ATOM 203 CA GLN A 15 0.547 -3.625 6.480 1.00 0.00 C ATOM 204 C GLN A 15 -0.586 -3.304 5.503 1.00 0.00 C ATOM 205 O GLN A 15 -1.641 -2.844 5.891 1.00 0.00 O ATOM 206 CB GLN A 15 1.628 -2.549 6.382 1.00 0.00 C ATOM 207 CG GLN A 15 2.709 -2.818 7.429 1.00 0.00 C ATOM 208 CD GLN A 15 2.601 -1.787 8.553 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.835 -1.959 9.482 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.341 -0.713 8.510 1.00 0.00 N ATOM 0 H GLN A 15 2.064 -4.923 5.725 1.00 0.00 H new ATOM 0 HA GLN A 15 0.148 -3.650 7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.066 -2.547 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.191 -1.563 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.596 -3.824 7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.696 -2.768 6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.984 -0.567 7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.277 -0.019 9.255 1.00 0.00 H new ATOM 219 N LEU A 16 -0.379 -3.538 4.235 1.00 0.00 N ATOM 220 CA LEU A 16 -1.445 -3.242 3.239 1.00 0.00 C ATOM 221 C LEU A 16 -2.591 -4.241 3.400 1.00 0.00 C ATOM 222 O LEU A 16 -3.617 -4.130 2.760 1.00 0.00 O ATOM 223 CB LEU A 16 -0.873 -3.347 1.822 1.00 0.00 C ATOM 224 CG LEU A 16 0.284 -2.353 1.642 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.474 -2.064 0.153 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.028 -1.041 2.367 1.00 0.00 C ATOM 0 H LEU A 16 0.483 -3.921 3.847 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.818 -2.231 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.522 -4.362 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.655 -3.143 1.090 1.00 0.00 H new ATOM 0 HG LEU A 16 1.192 -2.788 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.295 -1.359 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.705 -2.991 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.442 -1.635 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.800 -0.345 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.939 -0.606 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.167 -1.237 3.430 1.00 0.00 H new ATOM 238 N GLU A 17 -2.429 -5.215 4.252 1.00 0.00 N ATOM 239 CA GLU A 17 -3.518 -6.210 4.455 1.00 0.00 C ATOM 240 C GLU A 17 -4.727 -5.501 5.062 1.00 0.00 C ATOM 241 O GLU A 17 -5.863 -5.849 4.800 1.00 0.00 O ATOM 242 CB GLU A 17 -3.036 -7.312 5.398 1.00 0.00 C ATOM 243 CG GLU A 17 -2.333 -8.401 4.586 1.00 0.00 C ATOM 244 CD GLU A 17 -2.887 -9.770 4.981 1.00 0.00 C ATOM 245 OE1 GLU A 17 -4.059 -9.839 5.312 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.130 -10.727 4.943 1.00 0.00 O ATOM 0 H GLU A 17 -1.592 -5.365 4.815 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.795 -6.657 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.354 -6.898 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.880 -7.736 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.484 -8.229 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.258 -8.366 4.765 1.00 0.00 H new ATOM 253 N ASN A 18 -4.492 -4.500 5.866 1.00 0.00 N ATOM 254 CA ASN A 18 -5.625 -3.754 6.487 1.00 0.00 C ATOM 255 C ASN A 18 -6.441 -3.078 5.384 1.00 0.00 C ATOM 256 O ASN A 18 -7.574 -2.689 5.586 1.00 0.00 O ATOM 257 CB ASN A 18 -5.074 -2.690 7.439 1.00 0.00 C ATOM 258 CG ASN A 18 -4.413 -3.372 8.638 1.00 0.00 C ATOM 259 OD1 ASN A 18 -5.005 -3.477 9.695 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.202 -3.843 8.518 1.00 0.00 N ATOM 0 H ASN A 18 -3.563 -4.166 6.120 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.259 -4.443 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.350 -2.062 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.879 -2.037 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.751 -4.300 9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.706 -3.755 7.631 1.00 0.00 H new ATOM 267 N TYR A 19 -5.864 -2.934 4.222 1.00 0.00 N ATOM 268 CA TYR A 19 -6.589 -2.282 3.095 1.00 0.00 C ATOM 269 C TYR A 19 -7.462 -3.312 2.376 1.00 0.00 C ATOM 270 O TYR A 19 -7.461 -3.403 1.166 1.00 0.00 O ATOM 271 CB TYR A 19 -5.570 -1.698 2.113 1.00 0.00 C ATOM 272 CG TYR A 19 -5.236 -0.295 2.530 1.00 0.00 C ATOM 273 CD1 TYR A 19 -6.076 0.761 2.157 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.094 -0.048 3.292 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.773 2.068 2.553 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.790 1.257 3.684 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.628 2.317 3.317 1.00 0.00 C ATOM 278 OH TYR A 19 -4.325 3.605 3.709 1.00 0.00 O ATOM 0 H TYR A 19 -4.916 -3.242 4.004 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.224 -1.485 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.669 -2.311 2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.976 -1.703 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.957 0.567 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.447 -0.864 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.422 2.883 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.905 1.450 4.273 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.359 3.750 3.636 1.00 0.00 H new ATOM 288 N CYS A 20 -8.210 -4.086 3.112 1.00 0.00 N ATOM 289 CA CYS A 20 -9.090 -5.104 2.471 1.00 0.00 C ATOM 290 C CYS A 20 -10.537 -4.862 2.901 1.00 0.00 C ATOM 291 O CYS A 20 -10.800 -4.389 3.990 1.00 0.00 O ATOM 292 CB CYS A 20 -8.659 -6.500 2.913 1.00 0.00 C ATOM 293 SG CYS A 20 -8.049 -7.434 1.486 1.00 0.00 S ATOM 0 H CYS A 20 -8.250 -4.058 4.131 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.010 -5.025 1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.880 -6.427 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.500 -7.023 3.369 1.00 0.00 H new ATOM 298 N ASN A 21 -11.481 -5.180 2.060 1.00 0.00 N ATOM 299 CA ASN A 21 -12.908 -4.966 2.427 1.00 0.00 C ATOM 300 C ASN A 21 -13.481 -6.254 3.022 1.00 0.00 C ATOM 301 O ASN A 21 -13.793 -6.250 4.203 1.00 0.00 O ATOM 302 CB ASN A 21 -13.707 -4.584 1.179 1.00 0.00 C ATOM 303 CG ASN A 21 -15.187 -4.456 1.541 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.523 -4.156 2.765 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -16.047 -4.629 0.699 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -13.596 -7.223 2.289 1.00 0.00 O ATOM 0 H ASN A 21 -11.326 -5.579 1.134 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.975 -4.163 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.338 -3.642 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.575 -5.339 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.784 -4.864 -0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.032 -4.539 0.950 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.656 -10.127 -0.904 1.00 0.00 N ATOM 315 CA PHE B 1 10.055 -9.511 -2.121 1.00 0.00 C ATOM 316 C PHE B 1 10.828 -8.239 -2.484 1.00 0.00 C ATOM 317 O PHE B 1 11.916 -8.000 -2.001 1.00 0.00 O ATOM 318 CB PHE B 1 8.580 -9.176 -1.850 1.00 0.00 C ATOM 319 CG PHE B 1 8.462 -7.839 -1.154 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.087 -7.635 0.083 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.732 -6.805 -1.750 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.979 -6.395 0.722 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.624 -5.566 -1.111 1.00 0.00 C ATOM 324 CZ PHE B 1 8.247 -5.358 0.127 1.00 0.00 C ATOM 0 H1 PHE B 1 11.077 -11.045 -1.151 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.393 -9.499 -0.525 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.918 -10.267 -0.185 1.00 0.00 H new ATOM 0 HA PHE B 1 10.112 -10.211 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.027 -9.154 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.131 -9.955 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.651 -8.433 0.542 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.252 -6.964 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.461 -6.236 1.676 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.060 -4.769 -1.572 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.163 -4.401 0.621 1.00 0.00 H new ATOM 336 N VAL B 2 10.269 -7.424 -3.332 1.00 0.00 N ATOM 337 CA VAL B 2 10.967 -6.166 -3.725 1.00 0.00 C ATOM 338 C VAL B 2 10.766 -5.117 -2.631 1.00 0.00 C ATOM 339 O VAL B 2 9.690 -4.578 -2.463 1.00 0.00 O ATOM 340 CB VAL B 2 10.392 -5.639 -5.045 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.507 -4.972 -5.853 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.802 -6.797 -5.857 1.00 0.00 C ATOM 0 H VAL B 2 9.360 -7.572 -3.771 1.00 0.00 H new ATOM 0 HA VAL B 2 12.030 -6.369 -3.854 1.00 0.00 H new ATOM 0 HB VAL B 2 9.607 -4.914 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.101 -4.596 -6.792 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.925 -4.144 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.291 -5.700 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.395 -6.415 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.583 -7.526 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.007 -7.275 -5.285 1.00 0.00 H new ATOM 352 N ASN B 3 11.794 -4.823 -1.883 1.00 0.00 N ATOM 353 CA ASN B 3 11.661 -3.810 -0.796 1.00 0.00 C ATOM 354 C ASN B 3 11.726 -2.403 -1.396 1.00 0.00 C ATOM 355 O ASN B 3 12.736 -1.731 -1.315 1.00 0.00 O ATOM 356 CB ASN B 3 12.797 -3.991 0.213 1.00 0.00 C ATOM 357 CG ASN B 3 12.246 -4.631 1.488 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.759 -3.946 2.366 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.302 -5.928 1.629 1.00 0.00 N ATOM 0 H ASN B 3 12.720 -5.240 -1.977 1.00 0.00 H new ATOM 0 HA ASN B 3 10.704 -3.943 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.580 -4.618 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.251 -3.027 0.443 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.937 -6.365 2.475 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.710 -6.504 0.893 1.00 0.00 H new ATOM 366 N GLN B 4 10.658 -1.954 -1.994 1.00 0.00 N ATOM 367 CA GLN B 4 10.659 -0.591 -2.596 1.00 0.00 C ATOM 368 C GLN B 4 9.711 0.314 -1.805 1.00 0.00 C ATOM 369 O GLN B 4 8.854 -0.152 -1.080 1.00 0.00 O ATOM 370 CB GLN B 4 10.189 -0.674 -4.049 1.00 0.00 C ATOM 371 CG GLN B 4 10.678 0.558 -4.817 1.00 0.00 C ATOM 372 CD GLN B 4 11.135 0.140 -6.216 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.306 -1.033 -6.487 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.340 1.055 -7.123 1.00 0.00 N ATOM 0 H GLN B 4 9.785 -2.472 -2.092 1.00 0.00 H new ATOM 0 HA GLN B 4 11.668 -0.180 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.573 -1.582 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.101 -0.731 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.879 1.295 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.500 1.031 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.197 2.039 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.644 0.786 -8.059 1.00 0.00 H new ATOM 383 N HIS B 5 9.856 1.604 -1.938 1.00 0.00 N ATOM 384 CA HIS B 5 8.962 2.534 -1.193 1.00 0.00 C ATOM 385 C HIS B 5 7.606 2.610 -1.898 1.00 0.00 C ATOM 386 O HIS B 5 7.398 2.008 -2.932 1.00 0.00 O ATOM 387 CB HIS B 5 9.594 3.926 -1.148 1.00 0.00 C ATOM 388 CG HIS B 5 10.693 3.943 -0.122 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.728 3.021 -0.133 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.931 4.762 0.954 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.535 3.306 0.907 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.095 4.358 1.603 1.00 0.00 N ATOM 0 H HIS B 5 10.554 2.054 -2.530 1.00 0.00 H new ATOM 0 HA HIS B 5 8.823 2.168 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.992 4.188 -2.128 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.839 4.672 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.310 5.594 1.252 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.429 2.751 1.149 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.520 4.775 2.431 1.00 0.00 H new ATOM 400 N LEU B 6 6.681 3.347 -1.346 1.00 0.00 N ATOM 401 CA LEU B 6 5.340 3.462 -1.986 1.00 0.00 C ATOM 402 C LEU B 6 4.822 4.893 -1.835 1.00 0.00 C ATOM 403 O LEU B 6 4.273 5.260 -0.814 1.00 0.00 O ATOM 404 CB LEU B 6 4.369 2.491 -1.309 1.00 0.00 C ATOM 405 CG LEU B 6 4.894 1.062 -1.451 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.066 0.122 -0.574 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.782 0.624 -2.912 1.00 0.00 C ATOM 0 H LEU B 6 6.796 3.874 -0.480 1.00 0.00 H new ATOM 0 HA LEU B 6 5.420 3.217 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.259 2.746 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.381 2.573 -1.762 1.00 0.00 H new ATOM 0 HG LEU B 6 5.937 1.026 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.441 -0.896 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.143 0.434 0.468 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.023 0.157 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.156 -0.395 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.738 0.661 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.372 1.293 -3.539 1.00 0.00 H new ATOM 419 N CYS B 7 4.989 5.703 -2.843 1.00 0.00 N ATOM 420 CA CYS B 7 4.504 7.109 -2.754 1.00 0.00 C ATOM 421 C CYS B 7 3.540 7.389 -3.909 1.00 0.00 C ATOM 422 O CYS B 7 3.843 7.138 -5.060 1.00 0.00 O ATOM 423 CB CYS B 7 5.696 8.066 -2.841 1.00 0.00 C ATOM 424 SG CYS B 7 6.657 7.974 -1.310 1.00 0.00 S ATOM 0 H CYS B 7 5.440 5.453 -3.723 1.00 0.00 H new ATOM 0 HA CYS B 7 3.988 7.257 -1.805 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.324 7.805 -3.693 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.346 9.086 -3.003 1.00 0.00 H new ATOM 429 N GLY B 8 2.378 7.903 -3.613 1.00 0.00 N ATOM 430 CA GLY B 8 1.395 8.198 -4.694 1.00 0.00 C ATOM 431 C GLY B 8 0.661 6.912 -5.079 1.00 0.00 C ATOM 432 O GLY B 8 0.472 6.029 -4.268 1.00 0.00 O ATOM 0 H GLY B 8 2.066 8.132 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.682 8.950 -4.356 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.907 8.612 -5.563 1.00 0.00 H new ATOM 436 N SER B 9 0.245 6.802 -6.311 1.00 0.00 N ATOM 437 CA SER B 9 -0.474 5.570 -6.745 1.00 0.00 C ATOM 438 C SER B 9 0.450 4.364 -6.586 1.00 0.00 C ATOM 439 O SER B 9 0.015 3.229 -6.607 1.00 0.00 O ATOM 440 CB SER B 9 -0.885 5.713 -8.211 1.00 0.00 C ATOM 441 OG SER B 9 -1.260 7.061 -8.465 1.00 0.00 O ATOM 0 H SER B 9 0.371 7.510 -7.034 1.00 0.00 H new ATOM 0 HA SER B 9 -1.364 5.428 -6.132 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.060 5.424 -8.862 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.716 5.044 -8.434 1.00 0.00 H new ATOM 0 HG SER B 9 -1.522 7.156 -9.404 1.00 0.00 H new ATOM 447 N HIS B 10 1.723 4.597 -6.425 1.00 0.00 N ATOM 448 CA HIS B 10 2.675 3.463 -6.262 1.00 0.00 C ATOM 449 C HIS B 10 2.227 2.588 -5.092 1.00 0.00 C ATOM 450 O HIS B 10 2.474 1.398 -5.064 1.00 0.00 O ATOM 451 CB HIS B 10 4.079 4.005 -5.989 1.00 0.00 C ATOM 452 CG HIS B 10 4.832 4.123 -7.284 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.432 5.307 -7.687 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.097 3.213 -8.278 1.00 0.00 C ATOM 455 CE1 HIS B 10 6.021 5.080 -8.875 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.848 3.819 -9.282 1.00 0.00 N ATOM 0 H HIS B 10 2.146 5.525 -6.399 1.00 0.00 H new ATOM 0 HA HIS B 10 2.691 2.869 -7.176 1.00 0.00 H new ATOM 0 HB2 HIS B 10 4.016 4.978 -5.503 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.610 3.341 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.772 2.183 -8.281 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.567 5.826 -9.432 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.192 3.392 -10.142 1.00 0.00 H new ATOM 464 N LEU B 11 1.567 3.163 -4.122 1.00 0.00 N ATOM 465 CA LEU B 11 1.107 2.354 -2.960 1.00 0.00 C ATOM 466 C LEU B 11 -0.134 1.557 -3.359 1.00 0.00 C ATOM 467 O LEU B 11 -0.354 0.459 -2.889 1.00 0.00 O ATOM 468 CB LEU B 11 0.769 3.270 -1.785 1.00 0.00 C ATOM 469 CG LEU B 11 1.037 2.523 -0.479 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.613 3.488 0.559 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.274 1.926 0.045 1.00 0.00 C ATOM 0 H LEU B 11 1.328 4.154 -4.085 1.00 0.00 H new ATOM 0 HA LEU B 11 1.903 1.672 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.371 4.178 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.276 3.577 -1.835 1.00 0.00 H new ATOM 0 HG LEU B 11 1.754 1.723 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.803 2.952 1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.547 3.909 0.186 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.901 4.292 0.743 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.084 1.393 0.977 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.992 2.726 0.225 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.679 1.234 -0.693 1.00 0.00 H new ATOM 483 N VAL B 12 -0.946 2.094 -4.231 1.00 0.00 N ATOM 484 CA VAL B 12 -2.159 1.347 -4.660 1.00 0.00 C ATOM 485 C VAL B 12 -1.714 0.092 -5.407 1.00 0.00 C ATOM 486 O VAL B 12 -2.418 -0.895 -5.464 1.00 0.00 O ATOM 487 CB VAL B 12 -3.009 2.225 -5.581 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.031 1.357 -6.320 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.746 3.269 -4.739 1.00 0.00 C ATOM 0 H VAL B 12 -0.821 3.011 -4.661 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.756 1.072 -3.791 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.365 2.722 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.635 1.984 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.509 0.608 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.677 0.860 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.354 3.898 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.389 2.766 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.021 3.888 -4.210 1.00 0.00 H new ATOM 499 N GLU B 13 -0.538 0.122 -5.974 1.00 0.00 N ATOM 500 CA GLU B 13 -0.033 -1.068 -6.709 1.00 0.00 C ATOM 501 C GLU B 13 0.243 -2.188 -5.706 1.00 0.00 C ATOM 502 O GLU B 13 0.207 -3.355 -6.039 1.00 0.00 O ATOM 503 CB GLU B 13 1.258 -0.704 -7.445 1.00 0.00 C ATOM 504 CG GLU B 13 0.916 -0.138 -8.824 1.00 0.00 C ATOM 505 CD GLU B 13 1.749 -0.849 -9.892 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.618 -1.620 -9.522 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.503 -0.609 -11.064 1.00 0.00 O ATOM 0 H GLU B 13 0.094 0.922 -5.959 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.776 -1.399 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.823 0.029 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.891 -1.585 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.146 -0.270 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.114 0.934 -8.848 1.00 0.00 H new ATOM 514 N ALA B 14 0.507 -1.838 -4.476 1.00 0.00 N ATOM 515 CA ALA B 14 0.772 -2.881 -3.446 1.00 0.00 C ATOM 516 C ALA B 14 -0.511 -3.127 -2.654 1.00 0.00 C ATOM 517 O ALA B 14 -0.662 -4.135 -1.993 1.00 0.00 O ATOM 518 CB ALA B 14 1.874 -2.401 -2.501 1.00 0.00 C ATOM 0 H ALA B 14 0.550 -0.876 -4.141 1.00 0.00 H new ATOM 0 HA ALA B 14 1.093 -3.804 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.066 -3.166 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.785 -2.214 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.557 -1.481 -2.011 1.00 0.00 H new ATOM 524 N LEU B 15 -1.439 -2.211 -2.721 1.00 0.00 N ATOM 525 CA LEU B 15 -2.717 -2.386 -1.979 1.00 0.00 C ATOM 526 C LEU B 15 -3.590 -3.409 -2.708 1.00 0.00 C ATOM 527 O LEU B 15 -4.104 -4.336 -2.117 1.00 0.00 O ATOM 528 CB LEU B 15 -3.450 -1.045 -1.907 1.00 0.00 C ATOM 529 CG LEU B 15 -2.719 -0.113 -0.940 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.410 1.250 -0.923 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.749 -0.713 0.466 1.00 0.00 C ATOM 0 H LEU B 15 -1.365 -1.348 -3.259 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.509 -2.740 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.499 -0.592 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.477 -1.198 -1.575 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.685 0.007 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.888 1.914 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.391 1.680 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.444 1.130 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.228 -0.049 1.156 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.783 -0.833 0.789 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.257 -1.686 0.457 1.00 0.00 H new ATOM 543 N HIS B 16 -3.758 -3.248 -3.995 1.00 0.00 N ATOM 544 CA HIS B 16 -4.593 -4.213 -4.761 1.00 0.00 C ATOM 545 C HIS B 16 -3.870 -5.561 -4.823 1.00 0.00 C ATOM 546 O HIS B 16 -4.481 -6.610 -4.787 1.00 0.00 O ATOM 547 CB HIS B 16 -4.832 -3.667 -6.179 1.00 0.00 C ATOM 548 CG HIS B 16 -3.644 -3.958 -7.058 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.335 -3.565 -6.982 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.741 -4.752 -8.189 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.622 -4.104 -8.050 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.517 -4.810 -8.746 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.353 -2.491 -4.545 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.557 -4.348 -4.270 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.727 -4.120 -6.604 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.008 -2.592 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.634 -5.235 -8.556 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.572 -3.978 -8.268 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.299 -5.330 -9.596 1.00 0.00 H new ATOM 560 N LEU B 17 -2.568 -5.535 -4.909 1.00 0.00 N ATOM 561 CA LEU B 17 -1.798 -6.807 -4.966 1.00 0.00 C ATOM 562 C LEU B 17 -2.082 -7.623 -3.707 1.00 0.00 C ATOM 563 O LEU B 17 -2.018 -8.836 -3.708 1.00 0.00 O ATOM 564 CB LEU B 17 -0.305 -6.488 -5.040 1.00 0.00 C ATOM 565 CG LEU B 17 0.490 -7.784 -5.204 1.00 0.00 C ATOM 566 CD1 LEU B 17 0.051 -8.497 -6.484 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.979 -7.448 -5.292 1.00 0.00 C ATOM 0 H LEU B 17 -2.004 -4.685 -4.942 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.093 -7.379 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.107 -5.820 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.011 -5.968 -4.136 1.00 0.00 H new ATOM 0 HG LEU B 17 0.309 -8.436 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.619 -9.420 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.012 -8.730 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.233 -7.850 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.553 -8.367 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.155 -6.798 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.292 -6.939 -4.380 1.00 0.00 H new ATOM 579 N VAL B 18 -2.400 -6.963 -2.626 1.00 0.00 N ATOM 580 CA VAL B 18 -2.693 -7.695 -1.364 1.00 0.00 C ATOM 581 C VAL B 18 -4.149 -8.161 -1.380 1.00 0.00 C ATOM 582 O VAL B 18 -4.449 -9.304 -1.098 1.00 0.00 O ATOM 583 CB VAL B 18 -2.470 -6.765 -0.170 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.811 -7.504 1.124 1.00 0.00 C ATOM 585 CG2 VAL B 18 -1.006 -6.325 -0.132 1.00 0.00 C ATOM 0 H VAL B 18 -2.469 -5.947 -2.564 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.032 -8.557 -1.279 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.111 -5.889 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.652 -6.841 1.974 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.854 -7.819 1.099 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -2.170 -8.380 1.222 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.847 -5.662 0.719 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.365 -7.201 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.761 -5.797 -1.054 1.00 0.00 H new ATOM 595 N CYS B 19 -5.057 -7.283 -1.713 1.00 0.00 N ATOM 596 CA CYS B 19 -6.494 -7.671 -1.752 1.00 0.00 C ATOM 597 C CYS B 19 -6.874 -8.063 -3.182 1.00 0.00 C ATOM 598 O CYS B 19 -6.846 -9.222 -3.544 1.00 0.00 O ATOM 599 CB CYS B 19 -7.352 -6.487 -1.297 1.00 0.00 C ATOM 600 SG CYS B 19 -6.971 -6.094 0.429 1.00 0.00 S ATOM 0 H CYS B 19 -4.864 -6.312 -1.960 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.664 -8.518 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.160 -5.620 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.410 -6.729 -1.401 1.00 0.00 H new ATOM 605 N GLY B 20 -7.228 -7.107 -4.000 1.00 0.00 N ATOM 606 CA GLY B 20 -7.602 -7.432 -5.406 1.00 0.00 C ATOM 607 C GLY B 20 -9.026 -7.975 -5.452 1.00 0.00 C ATOM 608 O GLY B 20 -9.986 -7.235 -5.526 1.00 0.00 O ATOM 0 H GLY B 20 -7.274 -6.118 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.523 -6.540 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -6.910 -8.168 -5.815 1.00 0.00 H new ATOM 612 N GLU B 21 -9.160 -9.268 -5.415 1.00 0.00 N ATOM 613 CA GLU B 21 -10.511 -9.896 -5.462 1.00 0.00 C ATOM 614 C GLU B 21 -11.496 -9.078 -4.623 1.00 0.00 C ATOM 615 O GLU B 21 -12.399 -8.453 -5.141 1.00 0.00 O ATOM 616 CB GLU B 21 -10.429 -11.317 -4.900 1.00 0.00 C ATOM 617 CG GLU B 21 -10.795 -12.324 -5.992 1.00 0.00 C ATOM 618 CD GLU B 21 -11.271 -13.627 -5.345 1.00 0.00 C ATOM 619 OE1 GLU B 21 -12.197 -13.569 -4.555 1.00 0.00 O ATOM 620 OE2 GLU B 21 -10.699 -14.660 -5.654 1.00 0.00 O ATOM 0 H GLU B 21 -8.383 -9.926 -5.353 1.00 0.00 H new ATOM 0 HA GLU B 21 -10.856 -9.926 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.423 -11.515 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -11.106 -11.423 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.578 -11.915 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.932 -12.516 -6.629 1.00 0.00 H new ATOM 627 N ARG B 22 -11.331 -9.082 -3.329 1.00 0.00 N ATOM 628 CA ARG B 22 -12.258 -8.308 -2.458 1.00 0.00 C ATOM 629 C ARG B 22 -12.118 -6.815 -2.759 1.00 0.00 C ATOM 630 O ARG B 22 -13.072 -6.065 -2.680 1.00 0.00 O ATOM 631 CB ARG B 22 -11.912 -8.563 -0.990 1.00 0.00 C ATOM 632 CG ARG B 22 -11.804 -10.069 -0.743 1.00 0.00 C ATOM 633 CD ARG B 22 -13.016 -10.541 0.062 1.00 0.00 C ATOM 634 NE ARG B 22 -12.976 -9.936 1.422 1.00 0.00 N ATOM 635 CZ ARG B 22 -14.044 -9.944 2.174 1.00 0.00 C ATOM 636 NH1 ARG B 22 -15.154 -10.474 1.735 1.00 0.00 N ATOM 637 NH2 ARG B 22 -14.004 -9.414 3.366 1.00 0.00 N ATOM 0 H ARG B 22 -10.594 -9.588 -2.838 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.283 -8.624 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.971 -8.074 -0.737 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -12.678 -8.132 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.755 -10.602 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.885 -10.295 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.937 -10.257 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.015 -11.628 0.136 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.113 -9.515 1.767 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.189 -10.884 0.802 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -15.986 -10.478 2.326 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.140 -8.994 3.709 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.837 -9.419 3.955 1.00 0.00 H new ATOM 651 N GLY B 23 -10.939 -6.376 -3.098 1.00 0.00 N ATOM 652 CA GLY B 23 -10.738 -4.929 -3.398 1.00 0.00 C ATOM 653 C GLY B 23 -10.186 -4.226 -2.157 1.00 0.00 C ATOM 654 O GLY B 23 -10.010 -4.833 -1.119 1.00 0.00 O ATOM 0 H GLY B 23 -10.104 -6.956 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.048 -4.812 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.682 -4.474 -3.698 1.00 0.00 H new ATOM 658 N PHE B 24 -9.908 -2.955 -2.253 1.00 0.00 N ATOM 659 CA PHE B 24 -9.368 -2.222 -1.075 1.00 0.00 C ATOM 660 C PHE B 24 -9.829 -0.763 -1.120 1.00 0.00 C ATOM 661 O PHE B 24 -10.200 -0.252 -2.158 1.00 0.00 O ATOM 662 CB PHE B 24 -7.839 -2.277 -1.100 1.00 0.00 C ATOM 663 CG PHE B 24 -7.341 -1.819 -2.446 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.402 -2.692 -3.532 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.819 -0.531 -2.607 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.939 -2.279 -4.788 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.358 -0.116 -3.860 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.417 -0.989 -4.952 1.00 0.00 C ATOM 0 H PHE B 24 -10.031 -2.393 -3.095 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.735 -2.687 -0.160 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.429 -1.643 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.498 -3.293 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.806 -3.686 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.772 0.142 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.984 -2.955 -5.629 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.956 0.879 -3.985 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.061 -0.669 -5.920 1.00 0.00 H new ATOM 678 N PHE B 25 -9.804 -0.090 -0.005 1.00 0.00 N ATOM 679 CA PHE B 25 -10.237 1.336 0.015 1.00 0.00 C ATOM 680 C PHE B 25 -9.037 2.223 0.345 1.00 0.00 C ATOM 681 O PHE B 25 -8.808 2.581 1.483 1.00 0.00 O ATOM 682 CB PHE B 25 -11.337 1.533 1.068 1.00 0.00 C ATOM 683 CG PHE B 25 -10.794 1.251 2.449 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.540 -0.068 2.846 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.547 2.308 3.337 1.00 0.00 C ATOM 686 CE1 PHE B 25 -10.039 -0.329 4.126 1.00 0.00 C ATOM 687 CE2 PHE B 25 -10.046 2.044 4.618 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.792 0.725 5.011 1.00 0.00 C ATOM 0 H PHE B 25 -9.503 -0.465 0.894 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.633 1.609 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.718 2.553 1.020 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.176 0.870 0.857 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.731 -0.883 2.164 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.743 3.326 3.033 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.843 -1.346 4.431 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.856 2.858 5.302 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.405 0.521 5.998 1.00 0.00 H new ATOM 698 N TYR B 26 -8.264 2.581 -0.643 1.00 0.00 N ATOM 699 CA TYR B 26 -7.080 3.445 -0.384 1.00 0.00 C ATOM 700 C TYR B 26 -7.558 4.849 -0.007 1.00 0.00 C ATOM 701 O TYR B 26 -8.665 5.241 -0.323 1.00 0.00 O ATOM 702 CB TYR B 26 -6.215 3.508 -1.646 1.00 0.00 C ATOM 703 CG TYR B 26 -4.868 4.120 -1.329 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.252 3.885 -0.091 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.232 4.925 -2.282 1.00 0.00 C ATOM 706 CE1 TYR B 26 -3.003 4.456 0.190 1.00 0.00 C ATOM 707 CE2 TYR B 26 -2.986 5.495 -1.999 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.371 5.260 -0.766 1.00 0.00 C ATOM 709 OH TYR B 26 -1.142 5.823 -0.490 1.00 0.00 O ATOM 0 H TYR B 26 -8.402 2.312 -1.617 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.489 3.033 0.434 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.080 2.506 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.719 4.098 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.740 3.264 0.646 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.704 5.106 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.529 4.276 1.143 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.499 6.118 -2.735 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.844 6.351 -1.260 1.00 0.00 H new ATOM 719 N THR B 27 -6.742 5.607 0.674 1.00 0.00 N ATOM 720 CA THR B 27 -7.169 6.977 1.076 1.00 0.00 C ATOM 721 C THR B 27 -6.106 8.006 0.670 1.00 0.00 C ATOM 722 O THR B 27 -5.565 8.697 1.510 1.00 0.00 O ATOM 723 CB THR B 27 -7.361 7.023 2.593 1.00 0.00 C ATOM 724 OG1 THR B 27 -7.499 8.374 3.011 1.00 0.00 O ATOM 725 CG2 THR B 27 -6.149 6.397 3.283 1.00 0.00 C ATOM 0 H THR B 27 -5.803 5.338 0.968 1.00 0.00 H new ATOM 0 HA THR B 27 -8.106 7.217 0.574 1.00 0.00 H new ATOM 0 HB THR B 27 -8.258 6.465 2.862 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.641 8.837 2.910 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.288 6.431 4.364 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.043 5.360 2.963 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.250 6.953 3.015 1.00 0.00 H new ATOM 733 N PRO B 28 -5.849 8.079 -0.609 1.00 0.00 N ATOM 734 CA PRO B 28 -4.862 9.020 -1.188 1.00 0.00 C ATOM 735 C PRO B 28 -5.332 10.464 -0.977 1.00 0.00 C ATOM 736 O PRO B 28 -5.886 11.079 -1.867 1.00 0.00 O ATOM 737 CB PRO B 28 -4.807 8.703 -2.686 1.00 0.00 C ATOM 738 CG PRO B 28 -5.890 7.647 -2.975 1.00 0.00 C ATOM 739 CD PRO B 28 -6.505 7.233 -1.632 1.00 0.00 C ATOM 0 HA PRO B 28 -3.884 8.916 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.982 9.603 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -3.822 8.328 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -6.654 8.054 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.458 6.784 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.584 7.386 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.333 6.175 -1.433 1.00 0.00 H new ATOM 747 N LYS B 29 -5.119 11.008 0.190 1.00 0.00 N ATOM 748 CA LYS B 29 -5.560 12.408 0.445 1.00 0.00 C ATOM 749 C LYS B 29 -4.617 13.069 1.452 1.00 0.00 C ATOM 750 O LYS B 29 -3.596 12.519 1.816 1.00 0.00 O ATOM 751 CB LYS B 29 -6.981 12.402 1.013 1.00 0.00 C ATOM 752 CG LYS B 29 -7.941 11.782 -0.004 1.00 0.00 C ATOM 753 CD LYS B 29 -9.345 12.352 0.207 1.00 0.00 C ATOM 754 CE LYS B 29 -10.379 11.232 0.072 1.00 0.00 C ATOM 755 NZ LYS B 29 -11.741 11.827 -0.039 1.00 0.00 N ATOM 0 H LYS B 29 -4.660 10.545 0.975 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.542 12.966 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.008 11.837 1.945 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.293 13.419 1.249 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.600 11.993 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.956 10.698 0.108 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.418 12.811 1.193 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.544 13.135 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.162 10.626 -0.808 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.329 10.569 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.445 11.067 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.945 12.388 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.784 12.442 -0.877 1.00 0.00 H new ATOM 769 N THR B 30 -4.953 14.245 1.906 1.00 0.00 N ATOM 770 CA THR B 30 -4.079 14.942 2.890 1.00 0.00 C ATOM 771 C THR B 30 -4.592 14.673 4.306 1.00 0.00 C ATOM 772 O THR B 30 -5.679 14.130 4.428 1.00 0.00 O ATOM 773 CB THR B 30 -4.104 16.448 2.617 1.00 0.00 C ATOM 774 OG1 THR B 30 -4.814 16.697 1.412 1.00 0.00 O ATOM 775 CG2 THR B 30 -2.671 16.967 2.488 1.00 0.00 C ATOM 776 OXT THR B 30 -3.889 15.011 5.244 1.00 0.00 O ATOM 0 H THR B 30 -5.796 14.753 1.638 1.00 0.00 H new ATOM 0 HA THR B 30 -3.058 14.572 2.796 1.00 0.00 H new ATOM 0 HB THR B 30 -4.600 16.961 3.441 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.833 17.661 1.236 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.689 18.039 2.294 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.130 16.775 3.414 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.172 16.457 1.664 1.00 0.00 H new TER 784 THR B 30