USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 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 5 GLN : amide:sc= 0.179 K(o=-2.9,f=-5.7!) USER MOD Set 1.2: A 12 SER OG : rot 170:sc= -4.21! USER MOD Set 1.3: A 15 GLN : amide:sc= 1.09 K(o=-2.9,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 19 TYR OH : rot -176:sc= 0.515 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 1.22 (180deg=0.117) USER MOD Single : B 3 ASN : amide:sc= -0.518 K(o=-0.52,f=-1.5!) 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=-6.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00428 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.443 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.379 3.942 5.443 1.00 0.00 N ATOM 2 CA GLY A 1 -6.663 4.940 4.533 1.00 0.00 C ATOM 3 C GLY A 1 -6.277 4.524 3.154 1.00 0.00 C ATOM 4 O GLY A 1 -5.110 4.466 2.818 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.575 4.388 6.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.275 3.650 5.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.775 3.107 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.302 5.818 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.755 5.258 5.046 1.00 0.00 H new ATOM 10 N ILE A 2 -7.236 4.219 2.322 1.00 0.00 N ATOM 11 CA ILE A 2 -6.908 3.792 0.933 1.00 0.00 C ATOM 12 C ILE A 2 -6.611 5.016 0.068 1.00 0.00 C ATOM 13 O ILE A 2 -5.486 5.468 -0.029 1.00 0.00 O ATOM 14 CB ILE A 2 -8.093 3.038 0.332 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.268 1.697 1.051 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.829 2.797 -1.154 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.164 0.733 0.616 1.00 0.00 C ATOM 0 H ILE A 2 -8.231 4.247 2.544 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.033 3.143 0.963 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.003 3.627 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.231 1.844 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.246 1.274 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.671 2.259 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.707 3.754 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.921 2.206 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.291 -0.220 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.222 0.576 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.192 1.155 0.870 1.00 0.00 H new ATOM 29 N VAL A 3 -7.614 5.548 -0.568 1.00 0.00 N ATOM 30 CA VAL A 3 -7.412 6.736 -1.438 1.00 0.00 C ATOM 31 C VAL A 3 -6.908 7.900 -0.590 1.00 0.00 C ATOM 32 O VAL A 3 -5.971 8.588 -0.944 1.00 0.00 O ATOM 33 CB VAL A 3 -8.757 7.091 -2.107 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.942 8.612 -2.244 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.799 6.463 -3.496 1.00 0.00 C ATOM 0 H VAL A 3 -8.574 5.207 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.673 6.525 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.560 6.706 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.900 8.821 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.919 9.072 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.137 9.023 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.746 6.708 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.976 6.851 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.706 5.381 -3.409 1.00 0.00 H new ATOM 45 N GLU A 4 -7.540 8.131 0.513 1.00 0.00 N ATOM 46 CA GLU A 4 -7.129 9.263 1.385 1.00 0.00 C ATOM 47 C GLU A 4 -5.659 9.118 1.783 1.00 0.00 C ATOM 48 O GLU A 4 -5.002 10.082 2.123 1.00 0.00 O ATOM 49 CB GLU A 4 -7.998 9.284 2.644 1.00 0.00 C ATOM 50 CG GLU A 4 -7.765 8.006 3.450 1.00 0.00 C ATOM 51 CD GLU A 4 -8.841 6.977 3.099 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.717 6.353 2.059 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.770 6.831 3.876 1.00 0.00 O ATOM 0 H GLU A 4 -8.330 7.584 0.856 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.258 10.195 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.757 10.157 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.050 9.367 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.776 7.602 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.792 8.227 4.517 1.00 0.00 H new ATOM 60 N GLN A 5 -5.137 7.927 1.750 1.00 0.00 N ATOM 61 CA GLN A 5 -3.711 7.732 2.139 1.00 0.00 C ATOM 62 C GLN A 5 -2.848 7.475 0.902 1.00 0.00 C ATOM 63 O GLN A 5 -1.682 7.814 0.867 1.00 0.00 O ATOM 64 CB GLN A 5 -3.602 6.541 3.092 1.00 0.00 C ATOM 65 CG GLN A 5 -2.578 6.852 4.186 1.00 0.00 C ATOM 66 CD GLN A 5 -1.930 5.551 4.664 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.317 4.477 4.248 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.954 5.602 5.529 1.00 0.00 N ATOM 0 H GLN A 5 -5.633 7.080 1.472 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.355 8.636 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.574 6.329 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.303 5.649 2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.816 7.531 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.064 7.357 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.629 6.503 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.516 4.740 5.856 1.00 0.00 H new ATOM 77 N CYS A 6 -3.400 6.858 -0.103 1.00 0.00 N ATOM 78 CA CYS A 6 -2.592 6.558 -1.323 1.00 0.00 C ATOM 79 C CYS A 6 -2.964 7.495 -2.478 1.00 0.00 C ATOM 80 O CYS A 6 -2.118 7.902 -3.251 1.00 0.00 O ATOM 81 CB CYS A 6 -2.846 5.115 -1.752 1.00 0.00 C ATOM 82 SG CYS A 6 -2.146 3.985 -0.523 1.00 0.00 S ATOM 0 H CYS A 6 -4.371 6.548 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.539 6.706 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.917 4.939 -1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.397 4.931 -2.728 1.00 0.00 H new ATOM 87 N CYS A 7 -4.218 7.822 -2.623 1.00 0.00 N ATOM 88 CA CYS A 7 -4.632 8.708 -3.750 1.00 0.00 C ATOM 89 C CYS A 7 -3.989 10.091 -3.606 1.00 0.00 C ATOM 90 O CYS A 7 -3.289 10.556 -4.484 1.00 0.00 O ATOM 91 CB CYS A 7 -6.156 8.873 -3.737 1.00 0.00 C ATOM 92 SG CYS A 7 -6.880 8.512 -5.367 1.00 0.00 S ATOM 0 H CYS A 7 -4.974 7.515 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.308 8.253 -4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.589 8.207 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.410 9.891 -3.442 1.00 0.00 H new ATOM 97 N THR A 8 -4.251 10.765 -2.518 1.00 0.00 N ATOM 98 CA THR A 8 -3.691 12.135 -2.328 1.00 0.00 C ATOM 99 C THR A 8 -2.258 12.082 -1.794 1.00 0.00 C ATOM 100 O THR A 8 -1.521 13.043 -1.895 1.00 0.00 O ATOM 101 CB THR A 8 -4.568 12.901 -1.335 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.929 12.547 -1.539 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.393 14.405 -1.546 1.00 0.00 C ATOM 0 H THR A 8 -4.830 10.425 -1.750 1.00 0.00 H new ATOM 0 HA THR A 8 -3.678 12.637 -3.295 1.00 0.00 H new ATOM 0 HB THR A 8 -4.273 12.645 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.493 13.035 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.019 14.947 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.349 14.675 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.686 14.666 -2.563 1.00 0.00 H new ATOM 111 N SER A 9 -1.852 10.989 -1.219 1.00 0.00 N ATOM 112 CA SER A 9 -0.463 10.923 -0.678 1.00 0.00 C ATOM 113 C SER A 9 0.120 9.529 -0.887 1.00 0.00 C ATOM 114 O SER A 9 -0.506 8.661 -1.465 1.00 0.00 O ATOM 115 CB SER A 9 -0.491 11.245 0.817 1.00 0.00 C ATOM 116 OG SER A 9 -0.931 12.584 1.000 1.00 0.00 O ATOM 0 H SER A 9 -2.412 10.145 -1.099 1.00 0.00 H new ATOM 0 HA SER A 9 0.160 11.647 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.157 10.557 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.502 11.114 1.248 1.00 0.00 H new ATOM 0 HG SER A 9 -0.952 12.794 1.957 1.00 0.00 H new ATOM 122 N ILE A 10 1.321 9.306 -0.424 1.00 0.00 N ATOM 123 CA ILE A 10 1.945 7.967 -0.602 1.00 0.00 C ATOM 124 C ILE A 10 1.516 7.042 0.529 1.00 0.00 C ATOM 125 O ILE A 10 0.808 7.425 1.440 1.00 0.00 O ATOM 126 CB ILE A 10 3.479 8.060 -0.585 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.947 9.518 -0.689 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.038 7.263 -1.763 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.327 10.171 -1.921 1.00 0.00 C ATOM 0 H ILE A 10 1.894 9.992 0.068 1.00 0.00 H new ATOM 0 HA ILE A 10 1.617 7.577 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 10 3.842 7.652 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.661 10.067 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.034 9.557 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.126 7.323 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.732 6.221 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.655 7.676 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.662 11.206 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.635 9.628 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.240 10.146 -1.838 1.00 0.00 H new ATOM 141 N CYS A 11 1.967 5.826 0.477 1.00 0.00 N ATOM 142 CA CYS A 11 1.632 4.841 1.538 1.00 0.00 C ATOM 143 C CYS A 11 2.824 3.896 1.669 1.00 0.00 C ATOM 144 O CYS A 11 3.511 3.630 0.704 1.00 0.00 O ATOM 145 CB CYS A 11 0.368 4.037 1.170 1.00 0.00 C ATOM 146 SG CYS A 11 -0.168 4.400 -0.527 1.00 0.00 S ATOM 0 H CYS A 11 2.564 5.465 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 11 1.430 5.358 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.570 2.971 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.435 4.277 1.867 1.00 0.00 H new ATOM 151 N SER A 12 3.094 3.387 2.837 1.00 0.00 N ATOM 152 CA SER A 12 4.260 2.473 2.963 1.00 0.00 C ATOM 153 C SER A 12 3.864 1.103 2.432 1.00 0.00 C ATOM 154 O SER A 12 2.861 0.542 2.820 1.00 0.00 O ATOM 155 CB SER A 12 4.714 2.374 4.423 1.00 0.00 C ATOM 156 OG SER A 12 3.593 2.148 5.264 1.00 0.00 O ATOM 0 H SER A 12 2.569 3.560 3.694 1.00 0.00 H new ATOM 0 HA SER A 12 5.096 2.864 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.433 1.562 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.222 3.292 4.718 1.00 0.00 H new ATOM 0 HG SER A 12 3.901 1.927 6.168 1.00 0.00 H new ATOM 162 N LEU A 13 4.643 0.585 1.516 1.00 0.00 N ATOM 163 CA LEU A 13 4.338 -0.738 0.901 1.00 0.00 C ATOM 164 C LEU A 13 3.631 -1.648 1.907 1.00 0.00 C ATOM 165 O LEU A 13 2.656 -2.298 1.588 1.00 0.00 O ATOM 166 CB LEU A 13 5.647 -1.389 0.439 1.00 0.00 C ATOM 167 CG LEU A 13 5.468 -2.904 0.281 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.732 -3.300 -1.162 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.456 -3.621 1.199 1.00 0.00 C ATOM 0 H LEU A 13 5.490 1.032 1.165 1.00 0.00 H new ATOM 0 HA LEU A 13 3.676 -0.592 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.962 -0.953 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.437 -1.184 1.162 1.00 0.00 H new ATOM 0 HG LEU A 13 4.449 -3.184 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.604 -4.377 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.030 -2.782 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.751 -3.025 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.335 -4.699 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.474 -3.341 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.265 -3.335 2.233 1.00 0.00 H new ATOM 181 N TYR A 14 4.116 -1.713 3.109 1.00 0.00 N ATOM 182 CA TYR A 14 3.469 -2.594 4.104 1.00 0.00 C ATOM 183 C TYR A 14 1.976 -2.328 4.089 1.00 0.00 C ATOM 184 O TYR A 14 1.165 -3.232 4.043 1.00 0.00 O ATOM 185 CB TYR A 14 4.038 -2.299 5.490 1.00 0.00 C ATOM 186 CG TYR A 14 4.044 -3.563 6.309 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.869 -4.634 5.942 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.222 -3.664 7.437 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.873 -5.808 6.706 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.225 -4.838 8.202 1.00 0.00 C ATOM 191 CZ TYR A 14 4.050 -5.910 7.837 1.00 0.00 C ATOM 192 OH TYR A 14 4.054 -7.064 8.591 1.00 0.00 O ATOM 0 H TYR A 14 4.929 -1.196 3.443 1.00 0.00 H new ATOM 0 HA TYR A 14 3.658 -3.640 3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.050 -1.904 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.440 -1.535 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.502 -4.555 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.586 -2.838 7.718 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.509 -6.634 6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.591 -4.917 9.073 1.00 0.00 H new ATOM 0 HH TYR A 14 3.428 -6.968 9.339 1.00 0.00 H new ATOM 202 N GLN A 15 1.611 -1.088 4.103 1.00 0.00 N ATOM 203 CA GLN A 15 0.162 -0.750 4.072 1.00 0.00 C ATOM 204 C GLN A 15 -0.364 -0.992 2.663 1.00 0.00 C ATOM 205 O GLN A 15 -1.534 -1.256 2.464 1.00 0.00 O ATOM 206 CB GLN A 15 -0.082 0.719 4.456 1.00 0.00 C ATOM 207 CG GLN A 15 1.158 1.312 5.121 1.00 0.00 C ATOM 208 CD GLN A 15 0.768 2.563 5.911 1.00 0.00 C ATOM 209 OE1 GLN A 15 -0.393 2.780 6.193 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.698 3.401 6.284 1.00 0.00 N ATOM 0 H GLN A 15 2.246 -0.291 4.134 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.357 -1.379 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.336 1.296 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.933 0.787 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.613 0.577 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.903 1.564 4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.673 3.219 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.449 4.237 6.812 1.00 0.00 H new ATOM 219 N LEU A 16 0.491 -0.920 1.678 1.00 0.00 N ATOM 220 CA LEU A 16 0.017 -1.158 0.288 1.00 0.00 C ATOM 221 C LEU A 16 -0.173 -2.651 0.076 1.00 0.00 C ATOM 222 O LEU A 16 -0.992 -3.081 -0.712 1.00 0.00 O ATOM 223 CB LEU A 16 1.050 -0.641 -0.707 1.00 0.00 C ATOM 224 CG LEU A 16 0.709 -1.147 -2.106 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.061 -0.073 -3.127 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.514 -2.411 -2.411 1.00 0.00 C ATOM 0 H LEU A 16 1.484 -0.709 1.775 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.927 -0.635 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.066 0.449 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.046 -0.977 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.356 -1.375 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.819 -0.430 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.490 0.831 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.126 0.149 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.266 -2.768 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.579 -2.185 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.271 -3.182 -1.680 1.00 0.00 H new ATOM 238 N GLU A 17 0.581 -3.445 0.769 1.00 0.00 N ATOM 239 CA GLU A 17 0.447 -4.908 0.594 1.00 0.00 C ATOM 240 C GLU A 17 -0.743 -5.402 1.415 1.00 0.00 C ATOM 241 O GLU A 17 -1.234 -6.496 1.221 1.00 0.00 O ATOM 242 CB GLU A 17 1.742 -5.582 1.040 1.00 0.00 C ATOM 243 CG GLU A 17 1.500 -7.073 1.284 1.00 0.00 C ATOM 244 CD GLU A 17 1.159 -7.299 2.758 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.667 -6.559 3.583 1.00 0.00 O ATOM 246 OE2 GLU A 17 0.397 -8.211 3.036 1.00 0.00 O ATOM 0 H GLU A 17 1.282 -3.146 1.447 1.00 0.00 H new ATOM 0 HA GLU A 17 0.270 -5.155 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.511 -5.450 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.111 -5.111 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.686 -7.428 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.387 -7.646 1.013 1.00 0.00 H new ATOM 253 N ASN A 18 -1.231 -4.590 2.310 1.00 0.00 N ATOM 254 CA ASN A 18 -2.413 -5.002 3.113 1.00 0.00 C ATOM 255 C ASN A 18 -3.637 -4.992 2.199 1.00 0.00 C ATOM 256 O ASN A 18 -4.664 -5.570 2.496 1.00 0.00 O ATOM 257 CB ASN A 18 -2.626 -4.005 4.251 1.00 0.00 C ATOM 258 CG ASN A 18 -2.438 -4.712 5.594 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.388 -5.259 5.863 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.420 -4.725 6.455 1.00 0.00 N ATOM 0 H ASN A 18 -0.863 -3.662 2.519 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.258 -5.997 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.920 -3.179 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.627 -3.577 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.305 -5.195 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.302 -4.266 6.229 1.00 0.00 H new ATOM 267 N TYR A 19 -3.520 -4.326 1.082 1.00 0.00 N ATOM 268 CA TYR A 19 -4.651 -4.246 0.118 1.00 0.00 C ATOM 269 C TYR A 19 -4.850 -5.597 -0.577 1.00 0.00 C ATOM 270 O TYR A 19 -5.735 -5.760 -1.393 1.00 0.00 O ATOM 271 CB TYR A 19 -4.322 -3.163 -0.916 1.00 0.00 C ATOM 272 CG TYR A 19 -4.062 -1.851 -0.201 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.412 -1.702 1.151 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.474 -0.783 -0.890 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.174 -0.490 1.808 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.236 0.431 -0.230 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.587 0.577 1.119 1.00 0.00 C ATOM 278 OH TYR A 19 -3.353 1.771 1.767 1.00 0.00 O ATOM 0 H TYR A 19 -2.677 -3.828 0.794 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.573 -3.996 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.447 -3.453 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.149 -3.051 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.866 -2.524 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.204 -0.894 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.444 -0.378 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.782 1.254 -0.762 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.999 2.425 1.129 1.00 0.00 H new ATOM 288 N CYS A 20 -4.041 -6.571 -0.259 1.00 0.00 N ATOM 289 CA CYS A 20 -4.195 -7.908 -0.899 1.00 0.00 C ATOM 290 C CYS A 20 -5.565 -8.485 -0.563 1.00 0.00 C ATOM 291 O CYS A 20 -6.478 -7.783 -0.177 1.00 0.00 O ATOM 292 CB CYS A 20 -3.117 -8.858 -0.377 1.00 0.00 C ATOM 293 SG CYS A 20 -2.367 -9.739 -1.769 1.00 0.00 S ATOM 0 H CYS A 20 -3.280 -6.498 0.416 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.097 -7.796 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.356 -8.298 0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.552 -9.569 0.326 1.00 0.00 H new ATOM 298 N ASN A 21 -5.705 -9.768 -0.710 1.00 0.00 N ATOM 299 CA ASN A 21 -7.009 -10.422 -0.405 1.00 0.00 C ATOM 300 C ASN A 21 -8.095 -9.840 -1.311 1.00 0.00 C ATOM 301 O ASN A 21 -8.943 -9.124 -0.803 1.00 0.00 O ATOM 302 CB ASN A 21 -7.375 -10.171 1.060 1.00 0.00 C ATOM 303 CG ASN A 21 -6.288 -10.755 1.963 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.401 -10.049 2.401 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.320 -12.025 2.262 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.059 -10.118 -2.498 1.00 0.00 O ATOM 0 H ASN A 21 -4.970 -10.399 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.928 -11.495 -0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.478 -9.101 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.338 -10.628 1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.600 -12.426 2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.065 -12.617 1.894 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.937 1.403 -6.016 1.00 0.00 N ATOM 315 CA PHE B 1 5.415 2.314 -4.954 1.00 0.00 C ATOM 316 C PHE B 1 6.408 3.459 -4.727 1.00 0.00 C ATOM 317 O PHE B 1 7.313 3.361 -3.921 1.00 0.00 O ATOM 318 CB PHE B 1 5.216 1.533 -3.645 1.00 0.00 C ATOM 319 CG PHE B 1 6.105 0.310 -3.627 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.673 -0.877 -4.234 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.359 0.362 -3.003 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.494 -2.011 -4.217 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.180 -0.773 -2.987 1.00 0.00 C ATOM 324 CZ PHE B 1 7.748 -1.960 -3.594 1.00 0.00 C ATOM 0 H1 PHE B 1 5.571 0.442 -5.860 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.628 1.744 -6.949 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.976 1.388 -5.980 1.00 0.00 H new ATOM 0 HA PHE B 1 4.456 2.724 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.447 2.172 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.172 1.235 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE B 1 4.707 -0.917 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.692 1.276 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.160 -2.926 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.146 -0.733 -2.507 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.381 -2.835 -3.582 1.00 0.00 H new ATOM 336 N VAL B 2 6.243 4.547 -5.434 1.00 0.00 N ATOM 337 CA VAL B 2 7.172 5.703 -5.264 1.00 0.00 C ATOM 338 C VAL B 2 6.541 6.718 -4.300 1.00 0.00 C ATOM 339 O VAL B 2 5.524 6.453 -3.693 1.00 0.00 O ATOM 340 CB VAL B 2 7.430 6.352 -6.635 1.00 0.00 C ATOM 341 CG1 VAL B 2 6.306 7.337 -6.976 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.768 7.096 -6.607 1.00 0.00 C ATOM 0 H VAL B 2 5.503 4.685 -6.123 1.00 0.00 H new ATOM 0 HA VAL B 2 8.122 5.365 -4.850 1.00 0.00 H new ATOM 0 HB VAL B 2 7.460 5.571 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.501 7.789 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.354 6.807 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.262 8.117 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.949 7.555 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.738 7.870 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.570 6.393 -6.382 1.00 0.00 H new ATOM 352 N ASN B 3 7.134 7.874 -4.155 1.00 0.00 N ATOM 353 CA ASN B 3 6.557 8.894 -3.228 1.00 0.00 C ATOM 354 C ASN B 3 5.842 9.979 -4.037 1.00 0.00 C ATOM 355 O ASN B 3 6.271 11.114 -4.084 1.00 0.00 O ATOM 356 CB ASN B 3 7.660 9.539 -2.375 1.00 0.00 C ATOM 357 CG ASN B 3 9.043 9.120 -2.879 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.406 7.963 -2.801 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.836 10.018 -3.397 1.00 0.00 N ATOM 0 H ASN B 3 7.989 8.156 -4.635 1.00 0.00 H new ATOM 0 HA ASN B 3 5.847 8.397 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.567 10.624 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.541 9.243 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.759 9.748 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.532 10.989 -3.463 1.00 0.00 H new ATOM 366 N GLN B 4 4.755 9.637 -4.672 1.00 0.00 N ATOM 367 CA GLN B 4 4.011 10.649 -5.476 1.00 0.00 C ATOM 368 C GLN B 4 2.575 10.167 -5.696 1.00 0.00 C ATOM 369 O GLN B 4 2.199 9.788 -6.787 1.00 0.00 O ATOM 370 CB GLN B 4 4.701 10.830 -6.828 1.00 0.00 C ATOM 371 CG GLN B 4 5.845 11.836 -6.687 1.00 0.00 C ATOM 372 CD GLN B 4 6.158 12.451 -8.053 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.975 13.635 -8.255 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.623 11.691 -9.007 1.00 0.00 N ATOM 0 H GLN B 4 4.349 8.701 -4.669 1.00 0.00 H new ATOM 0 HA GLN B 4 3.998 11.600 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.085 9.874 -7.183 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.984 11.181 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.570 12.618 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.731 11.342 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.777 10.697 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.833 12.091 -9.922 1.00 0.00 H new ATOM 383 N HIS B 5 1.771 10.188 -4.668 1.00 0.00 N ATOM 384 CA HIS B 5 0.359 9.737 -4.803 1.00 0.00 C ATOM 385 C HIS B 5 0.313 8.362 -5.471 1.00 0.00 C ATOM 386 O HIS B 5 1.309 7.847 -5.939 1.00 0.00 O ATOM 387 CB HIS B 5 -0.415 10.754 -5.641 1.00 0.00 C ATOM 388 CG HIS B 5 -0.122 12.134 -5.123 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.108 12.726 -5.312 1.00 0.00 N ATOM 390 CD2 HIS B 5 -0.894 13.011 -4.412 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.054 13.925 -4.718 1.00 0.00 C ATOM 392 NE2 HIS B 5 -0.152 14.143 -4.153 1.00 0.00 N ATOM 0 H HIS B 5 2.035 10.501 -3.734 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.096 9.660 -3.815 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.127 10.676 -6.689 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.485 10.550 -5.588 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.916 12.844 -4.105 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.873 14.629 -4.694 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -0.452 14.973 -3.641 1.00 0.00 H new ATOM 400 N LEU B 6 -0.841 7.761 -5.514 1.00 0.00 N ATOM 401 CA LEU B 6 -0.967 6.419 -6.146 1.00 0.00 C ATOM 402 C LEU B 6 -2.374 6.278 -6.709 1.00 0.00 C ATOM 403 O LEU B 6 -2.574 6.047 -7.886 1.00 0.00 O ATOM 404 CB LEU B 6 -0.739 5.332 -5.095 1.00 0.00 C ATOM 405 CG LEU B 6 0.722 5.342 -4.649 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.890 6.307 -3.474 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.122 3.933 -4.210 1.00 0.00 C ATOM 0 H LEU B 6 -1.708 8.143 -5.136 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.228 6.314 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.392 5.499 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.997 4.356 -5.506 1.00 0.00 H new ATOM 0 HG LEU B 6 1.356 5.664 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.932 6.314 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.598 7.311 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.260 5.984 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.164 3.934 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU B 6 0.489 3.616 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.999 3.243 -5.045 1.00 0.00 H new ATOM 419 N CYS B 7 -3.342 6.418 -5.862 1.00 0.00 N ATOM 420 CA CYS B 7 -4.758 6.304 -6.301 1.00 0.00 C ATOM 421 C CYS B 7 -5.034 4.877 -6.781 1.00 0.00 C ATOM 422 O CYS B 7 -4.153 4.041 -6.826 1.00 0.00 O ATOM 423 CB CYS B 7 -5.029 7.304 -7.432 1.00 0.00 C ATOM 424 SG CYS B 7 -5.439 8.922 -6.725 1.00 0.00 S ATOM 0 H CYS B 7 -3.215 6.610 -4.868 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.418 6.530 -5.463 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.153 7.388 -8.075 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.850 6.950 -8.056 1.00 0.00 H new ATOM 429 N GLY B 8 -6.258 4.589 -7.124 1.00 0.00 N ATOM 430 CA GLY B 8 -6.610 3.217 -7.583 1.00 0.00 C ATOM 431 C GLY B 8 -5.532 2.663 -8.520 1.00 0.00 C ATOM 432 O GLY B 8 -4.833 1.729 -8.186 1.00 0.00 O ATOM 0 H GLY B 8 -7.035 5.250 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.723 2.558 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.571 3.236 -8.098 1.00 0.00 H new ATOM 436 N SER B 9 -5.414 3.218 -9.696 1.00 0.00 N ATOM 437 CA SER B 9 -4.407 2.717 -10.680 1.00 0.00 C ATOM 438 C SER B 9 -3.112 2.293 -9.985 1.00 0.00 C ATOM 439 O SER B 9 -2.826 1.119 -9.865 1.00 0.00 O ATOM 440 CB SER B 9 -4.096 3.815 -11.692 1.00 0.00 C ATOM 441 OG SER B 9 -4.188 5.082 -11.054 1.00 0.00 O ATOM 0 H SER B 9 -5.977 4.004 -10.021 1.00 0.00 H new ATOM 0 HA SER B 9 -4.828 1.847 -11.183 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.096 3.674 -12.103 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.794 3.764 -12.527 1.00 0.00 H new ATOM 0 HG SER B 9 -3.987 5.790 -11.701 1.00 0.00 H new ATOM 447 N ASP B 10 -2.316 3.233 -9.547 1.00 0.00 N ATOM 448 CA ASP B 10 -1.030 2.864 -8.882 1.00 0.00 C ATOM 449 C ASP B 10 -1.261 1.692 -7.944 1.00 0.00 C ATOM 450 O ASP B 10 -0.600 0.675 -8.029 1.00 0.00 O ATOM 451 CB ASP B 10 -0.485 4.053 -8.090 1.00 0.00 C ATOM 452 CG ASP B 10 -0.156 5.199 -9.048 1.00 0.00 C ATOM 453 OD1 ASP B 10 -1.048 5.617 -9.768 1.00 0.00 O ATOM 454 OD2 ASP B 10 0.981 5.642 -9.043 1.00 0.00 O ATOM 0 H ASP B 10 -2.498 4.234 -9.620 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.304 2.584 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.219 4.380 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.408 3.758 -7.540 1.00 0.00 H new ATOM 459 N LEU B 11 -2.204 1.813 -7.064 1.00 0.00 N ATOM 460 CA LEU B 11 -2.492 0.690 -6.137 1.00 0.00 C ATOM 461 C LEU B 11 -2.546 -0.592 -6.959 1.00 0.00 C ATOM 462 O LEU B 11 -1.586 -1.330 -7.031 1.00 0.00 O ATOM 463 CB LEU B 11 -3.843 0.932 -5.445 1.00 0.00 C ATOM 464 CG LEU B 11 -3.639 1.636 -4.091 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.458 2.603 -4.167 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.901 2.429 -3.726 1.00 0.00 C ATOM 0 H LEU B 11 -2.789 2.640 -6.944 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.720 0.612 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -4.482 1.541 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.356 -0.018 -5.294 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.439 0.878 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.326 3.093 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.552 2.052 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.652 3.355 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.754 2.926 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -5.097 3.176 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.750 1.749 -3.656 1.00 0.00 H new ATOM 478 N VAL B 12 -3.660 -0.844 -7.580 1.00 0.00 N ATOM 479 CA VAL B 12 -3.802 -2.074 -8.428 1.00 0.00 C ATOM 480 C VAL B 12 -2.469 -2.353 -9.135 1.00 0.00 C ATOM 481 O VAL B 12 -2.102 -3.488 -9.365 1.00 0.00 O ATOM 482 CB VAL B 12 -4.954 -1.911 -9.467 1.00 0.00 C ATOM 483 CG1 VAL B 12 -5.569 -0.516 -9.386 1.00 0.00 C ATOM 484 CG2 VAL B 12 -4.445 -2.116 -10.902 1.00 0.00 C ATOM 0 H VAL B 12 -4.489 -0.251 -7.541 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.058 -2.919 -7.789 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.701 -2.668 -9.226 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.370 -0.428 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.974 -0.354 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.803 0.232 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.272 -1.996 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.673 -1.379 -11.123 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.029 -3.119 -11.001 1.00 0.00 H new ATOM 494 N GLU B 13 -1.736 -1.324 -9.461 1.00 0.00 N ATOM 495 CA GLU B 13 -0.423 -1.537 -10.131 1.00 0.00 C ATOM 496 C GLU B 13 0.557 -2.066 -9.093 1.00 0.00 C ATOM 497 O GLU B 13 0.984 -3.203 -9.149 1.00 0.00 O ATOM 498 CB GLU B 13 0.094 -0.214 -10.702 1.00 0.00 C ATOM 499 CG GLU B 13 -0.964 0.396 -11.620 1.00 0.00 C ATOM 500 CD GLU B 13 -0.382 0.558 -13.027 1.00 0.00 C ATOM 501 OE1 GLU B 13 0.698 1.113 -13.140 1.00 0.00 O ATOM 502 OE2 GLU B 13 -1.028 0.123 -13.967 1.00 0.00 O ATOM 0 H GLU B 13 -1.988 -0.350 -9.293 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.531 -2.249 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.329 0.476 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.018 -0.382 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.847 -0.243 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.284 1.363 -11.233 1.00 0.00 H new ATOM 509 N ALA B 14 0.894 -1.262 -8.126 1.00 0.00 N ATOM 510 CA ALA B 14 1.817 -1.736 -7.066 1.00 0.00 C ATOM 511 C ALA B 14 1.226 -3.014 -6.484 1.00 0.00 C ATOM 512 O ALA B 14 1.887 -4.025 -6.344 1.00 0.00 O ATOM 513 CB ALA B 14 1.916 -0.669 -5.974 1.00 0.00 C ATOM 0 H ALA B 14 0.570 -0.300 -8.025 1.00 0.00 H new ATOM 0 HA ALA B 14 2.813 -1.924 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.593 -1.011 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.297 0.257 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.929 -0.492 -5.548 1.00 0.00 H new ATOM 519 N LEU B 15 -0.029 -2.960 -6.164 1.00 0.00 N ATOM 520 CA LEU B 15 -0.731 -4.138 -5.606 1.00 0.00 C ATOM 521 C LEU B 15 -0.489 -5.348 -6.511 1.00 0.00 C ATOM 522 O LEU B 15 -0.548 -6.482 -6.080 1.00 0.00 O ATOM 523 CB LEU B 15 -2.231 -3.840 -5.533 1.00 0.00 C ATOM 524 CG LEU B 15 -2.554 -3.196 -4.184 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.929 -1.807 -4.112 1.00 0.00 C ATOM 526 CD2 LEU B 15 -4.063 -3.059 -4.030 1.00 0.00 C ATOM 0 H LEU B 15 -0.611 -2.129 -6.268 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.354 -4.355 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.521 -3.174 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.803 -4.760 -5.656 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.153 -3.824 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.162 -1.353 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.848 -1.888 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.330 -1.186 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.290 -2.600 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.455 -2.434 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.525 -4.045 -4.080 1.00 0.00 H new ATOM 538 N TYR B 16 -0.220 -5.111 -7.767 1.00 0.00 N ATOM 539 CA TYR B 16 0.023 -6.244 -8.708 1.00 0.00 C ATOM 540 C TYR B 16 1.460 -6.744 -8.553 1.00 0.00 C ATOM 541 O TYR B 16 1.736 -7.923 -8.654 1.00 0.00 O ATOM 542 CB TYR B 16 -0.200 -5.772 -10.145 1.00 0.00 C ATOM 543 CG TYR B 16 -1.559 -6.226 -10.619 1.00 0.00 C ATOM 544 CD1 TYR B 16 -1.944 -7.564 -10.465 1.00 0.00 C ATOM 545 CD2 TYR B 16 -2.437 -5.308 -11.210 1.00 0.00 C ATOM 546 CE1 TYR B 16 -3.207 -7.985 -10.903 1.00 0.00 C ATOM 547 CE2 TYR B 16 -3.700 -5.729 -11.649 1.00 0.00 C ATOM 548 CZ TYR B 16 -4.084 -7.068 -11.496 1.00 0.00 C ATOM 549 OH TYR B 16 -5.329 -7.482 -11.925 1.00 0.00 O ATOM 0 H TYR B 16 -0.158 -4.182 -8.183 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.668 -7.055 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.129 -4.686 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.577 -6.174 -10.796 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.267 -8.271 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.141 -4.276 -11.327 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.504 -9.016 -10.783 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.377 -5.022 -12.105 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.811 -6.722 -12.311 1.00 0.00 H new ATOM 559 N LEU B 17 2.371 -5.852 -8.304 1.00 0.00 N ATOM 560 CA LEU B 17 3.796 -6.263 -8.134 1.00 0.00 C ATOM 561 C LEU B 17 4.070 -6.510 -6.656 1.00 0.00 C ATOM 562 O LEU B 17 5.053 -7.118 -6.285 1.00 0.00 O ATOM 563 CB LEU B 17 4.715 -5.145 -8.622 1.00 0.00 C ATOM 564 CG LEU B 17 4.471 -4.891 -10.105 1.00 0.00 C ATOM 565 CD1 LEU B 17 4.859 -3.452 -10.435 1.00 0.00 C ATOM 566 CD2 LEU B 17 5.326 -5.854 -10.927 1.00 0.00 C ATOM 0 H LEU B 17 2.194 -4.852 -8.210 1.00 0.00 H new ATOM 0 HA LEU B 17 3.982 -7.170 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.531 -4.234 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.757 -5.419 -8.457 1.00 0.00 H new ATOM 0 HG LEU B 17 3.419 -5.048 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.687 -3.263 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.254 -2.767 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.913 -3.298 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.155 -5.677 -11.989 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.379 -5.693 -10.697 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.054 -6.881 -10.683 1.00 0.00 H new ATOM 578 N VAL B 18 3.212 -6.024 -5.811 1.00 0.00 N ATOM 579 CA VAL B 18 3.420 -6.208 -4.354 1.00 0.00 C ATOM 580 C VAL B 18 2.919 -7.591 -3.937 1.00 0.00 C ATOM 581 O VAL B 18 3.566 -8.309 -3.201 1.00 0.00 O ATOM 582 CB VAL B 18 2.639 -5.124 -3.607 1.00 0.00 C ATOM 583 CG1 VAL B 18 1.161 -5.483 -3.580 1.00 0.00 C ATOM 584 CG2 VAL B 18 3.138 -5.009 -2.176 1.00 0.00 C ATOM 0 H VAL B 18 2.372 -5.505 -6.068 1.00 0.00 H new ATOM 0 HA VAL B 18 4.480 -6.130 -4.114 1.00 0.00 H new ATOM 0 HB VAL B 18 2.784 -4.175 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL B 18 0.608 -4.709 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.786 -5.559 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.028 -6.438 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.575 -4.235 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.002 -5.962 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.196 -4.747 -2.180 1.00 0.00 H new ATOM 594 N CYS B 19 1.762 -7.958 -4.403 1.00 0.00 N ATOM 595 CA CYS B 19 1.194 -9.285 -4.041 1.00 0.00 C ATOM 596 C CYS B 19 1.549 -10.310 -5.119 1.00 0.00 C ATOM 597 O CYS B 19 1.454 -11.503 -4.911 1.00 0.00 O ATOM 598 CB CYS B 19 -0.327 -9.171 -3.927 1.00 0.00 C ATOM 599 SG CYS B 19 -0.766 -8.611 -2.263 1.00 0.00 S ATOM 0 H CYS B 19 1.181 -7.394 -5.023 1.00 0.00 H new ATOM 0 HA CYS B 19 1.610 -9.608 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.707 -8.470 -4.670 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.791 -10.136 -4.132 1.00 0.00 H new ATOM 604 N GLY B 20 1.956 -9.855 -6.271 1.00 0.00 N ATOM 605 CA GLY B 20 2.315 -10.805 -7.362 1.00 0.00 C ATOM 606 C GLY B 20 1.146 -10.932 -8.339 1.00 0.00 C ATOM 607 O GLY B 20 0.931 -10.080 -9.177 1.00 0.00 O ATOM 0 H GLY B 20 2.056 -8.867 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.203 -10.453 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.559 -11.781 -6.942 1.00 0.00 H new ATOM 611 N GLU B 21 0.389 -11.990 -8.240 1.00 0.00 N ATOM 612 CA GLU B 21 -0.764 -12.167 -9.166 1.00 0.00 C ATOM 613 C GLU B 21 -1.948 -12.760 -8.402 1.00 0.00 C ATOM 614 O GLU B 21 -2.668 -13.600 -8.907 1.00 0.00 O ATOM 615 CB GLU B 21 -0.365 -13.108 -10.304 1.00 0.00 C ATOM 616 CG GLU B 21 -0.475 -12.368 -11.638 1.00 0.00 C ATOM 617 CD GLU B 21 0.927 -12.047 -12.159 1.00 0.00 C ATOM 618 OE1 GLU B 21 1.729 -12.963 -12.249 1.00 0.00 O ATOM 619 OE2 GLU B 21 1.176 -10.891 -12.459 1.00 0.00 O ATOM 0 H GLU B 21 0.519 -12.738 -7.559 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.049 -11.199 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.655 -13.464 -10.156 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.011 -13.986 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.013 -12.980 -12.362 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.047 -11.449 -11.510 1.00 0.00 H new ATOM 626 N ARG B 22 -2.161 -12.328 -7.189 1.00 0.00 N ATOM 627 CA ARG B 22 -3.302 -12.865 -6.397 1.00 0.00 C ATOM 628 C ARG B 22 -4.544 -12.011 -6.659 1.00 0.00 C ATOM 629 O ARG B 22 -5.640 -12.353 -6.262 1.00 0.00 O ATOM 630 CB ARG B 22 -2.960 -12.822 -4.908 1.00 0.00 C ATOM 631 CG ARG B 22 -2.164 -14.073 -4.531 1.00 0.00 C ATOM 632 CD ARG B 22 -0.909 -13.664 -3.760 1.00 0.00 C ATOM 633 NE ARG B 22 -0.534 -14.745 -2.807 1.00 0.00 N ATOM 634 CZ ARG B 22 0.721 -14.958 -2.524 1.00 0.00 C ATOM 635 NH1 ARG B 22 1.559 -13.958 -2.484 1.00 0.00 N ATOM 636 NH2 ARG B 22 1.139 -16.171 -2.283 1.00 0.00 N ATOM 0 H ARG B 22 -1.594 -11.626 -6.713 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.496 -13.896 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -2.380 -11.927 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.873 -12.767 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.777 -14.738 -3.923 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.888 -14.626 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.089 -13.476 -4.453 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.089 -12.735 -3.219 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.259 -15.319 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.232 -13.011 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.541 -14.124 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.484 -16.952 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.121 -16.338 -2.062 1.00 0.00 H new ATOM 650 N GLY B 23 -4.380 -10.901 -7.328 1.00 0.00 N ATOM 651 CA GLY B 23 -5.550 -10.025 -7.619 1.00 0.00 C ATOM 652 C GLY B 23 -5.703 -8.978 -6.516 1.00 0.00 C ATOM 653 O GLY B 23 -6.218 -7.904 -6.747 1.00 0.00 O ATOM 0 H GLY B 23 -3.486 -10.564 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.417 -9.534 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.457 -10.626 -7.690 1.00 0.00 H new ATOM 657 N PHE B 24 -5.261 -9.288 -5.323 1.00 0.00 N ATOM 658 CA PHE B 24 -5.377 -8.322 -4.186 1.00 0.00 C ATOM 659 C PHE B 24 -6.770 -7.681 -4.186 1.00 0.00 C ATOM 660 O PHE B 24 -7.627 -8.034 -4.972 1.00 0.00 O ATOM 661 CB PHE B 24 -4.297 -7.240 -4.311 1.00 0.00 C ATOM 662 CG PHE B 24 -4.483 -6.476 -5.599 1.00 0.00 C ATOM 663 CD1 PHE B 24 -5.437 -5.451 -5.676 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.706 -6.794 -6.722 1.00 0.00 C ATOM 665 CE1 PHE B 24 -5.613 -4.746 -6.873 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.884 -6.088 -7.919 1.00 0.00 C ATOM 667 CZ PHE B 24 -4.837 -5.064 -7.996 1.00 0.00 C ATOM 0 H PHE B 24 -4.821 -10.177 -5.085 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.235 -8.856 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.353 -6.558 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.308 -7.697 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.036 -5.205 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.971 -7.583 -6.664 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.348 -3.956 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.286 -6.334 -8.784 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.973 -4.520 -8.919 1.00 0.00 H new ATOM 677 N PHE B 25 -7.018 -6.752 -3.302 1.00 0.00 N ATOM 678 CA PHE B 25 -8.366 -6.112 -3.269 1.00 0.00 C ATOM 679 C PHE B 25 -8.307 -4.782 -2.511 1.00 0.00 C ATOM 680 O PHE B 25 -8.424 -4.743 -1.303 1.00 0.00 O ATOM 681 CB PHE B 25 -9.357 -7.048 -2.574 1.00 0.00 C ATOM 682 CG PHE B 25 -10.758 -6.769 -3.072 1.00 0.00 C ATOM 683 CD1 PHE B 25 -11.075 -5.521 -3.625 1.00 0.00 C ATOM 684 CD2 PHE B 25 -11.743 -7.761 -2.978 1.00 0.00 C ATOM 685 CE1 PHE B 25 -12.374 -5.264 -4.083 1.00 0.00 C ATOM 686 CE2 PHE B 25 -13.042 -7.505 -3.434 1.00 0.00 C ATOM 687 CZ PHE B 25 -13.358 -6.258 -3.988 1.00 0.00 C ATOM 0 H PHE B 25 -6.353 -6.411 -2.608 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.690 -5.922 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.091 -8.086 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.310 -6.906 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.316 -4.756 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.500 -8.724 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.617 -4.302 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.801 -8.270 -3.358 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.359 -6.062 -4.342 1.00 0.00 H new ATOM 697 N TYR B 26 -8.148 -3.690 -3.211 1.00 0.00 N ATOM 698 CA TYR B 26 -8.107 -2.367 -2.523 1.00 0.00 C ATOM 699 C TYR B 26 -9.448 -1.663 -2.738 1.00 0.00 C ATOM 700 O TYR B 26 -10.162 -1.947 -3.679 1.00 0.00 O ATOM 701 CB TYR B 26 -6.971 -1.516 -3.097 1.00 0.00 C ATOM 702 CG TYR B 26 -7.307 -1.105 -4.511 1.00 0.00 C ATOM 703 CD1 TYR B 26 -7.114 -2.006 -5.567 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.819 0.174 -4.766 1.00 0.00 C ATOM 705 CE1 TYR B 26 -7.434 -1.627 -6.878 1.00 0.00 C ATOM 706 CE2 TYR B 26 -8.137 0.553 -6.076 1.00 0.00 C ATOM 707 CZ TYR B 26 -7.946 -0.348 -7.132 1.00 0.00 C ATOM 708 OH TYR B 26 -8.264 0.024 -8.422 1.00 0.00 O ATOM 0 H TYR B 26 -8.045 -3.657 -4.225 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.930 -2.508 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.817 -0.632 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.039 -2.080 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.719 -2.992 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.968 0.868 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.286 -2.321 -7.692 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.529 1.540 -6.272 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.607 0.942 -8.423 1.00 0.00 H new ATOM 718 N THR B 27 -9.814 -0.762 -1.866 1.00 0.00 N ATOM 719 CA THR B 27 -11.127 -0.076 -2.030 1.00 0.00 C ATOM 720 C THR B 27 -10.956 1.443 -1.948 1.00 0.00 C ATOM 721 O THR B 27 -10.333 1.964 -1.045 1.00 0.00 O ATOM 722 CB THR B 27 -12.070 -0.539 -0.920 1.00 0.00 C ATOM 723 OG1 THR B 27 -11.385 -0.507 0.325 1.00 0.00 O ATOM 724 CG2 THR B 27 -12.538 -1.965 -1.210 1.00 0.00 C ATOM 0 H THR B 27 -9.266 -0.474 -1.055 1.00 0.00 H new ATOM 0 HA THR B 27 -11.539 -0.328 -3.007 1.00 0.00 H new ATOM 0 HB THR B 27 -12.935 0.123 -0.876 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.989 -0.802 1.038 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.211 -2.295 -0.418 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.063 -1.989 -2.165 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.675 -2.629 -1.254 1.00 0.00 H new ATOM 732 N ASP B 28 -11.527 2.157 -2.882 1.00 0.00 N ATOM 733 CA ASP B 28 -11.425 3.644 -2.862 1.00 0.00 C ATOM 734 C ASP B 28 -12.807 4.233 -2.567 1.00 0.00 C ATOM 735 O ASP B 28 -13.778 3.516 -2.427 1.00 0.00 O ATOM 736 CB ASP B 28 -10.934 4.148 -4.222 1.00 0.00 C ATOM 737 CG ASP B 28 -11.688 3.426 -5.340 1.00 0.00 C ATOM 738 OD1 ASP B 28 -12.719 2.842 -5.050 1.00 0.00 O ATOM 739 OD2 ASP B 28 -11.222 3.468 -6.466 1.00 0.00 O ATOM 0 H ASP B 28 -12.062 1.772 -3.661 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.718 3.952 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -11.090 5.224 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.863 3.973 -4.321 1.00 0.00 H new ATOM 744 N LYS B 29 -12.906 5.530 -2.471 1.00 0.00 N ATOM 745 CA LYS B 29 -14.229 6.155 -2.185 1.00 0.00 C ATOM 746 C LYS B 29 -14.437 7.354 -3.111 1.00 0.00 C ATOM 747 O LYS B 29 -15.507 7.937 -3.061 1.00 0.00 O ATOM 748 CB LYS B 29 -14.270 6.624 -0.729 1.00 0.00 C ATOM 749 CG LYS B 29 -15.482 6.006 -0.029 1.00 0.00 C ATOM 750 CD LYS B 29 -15.194 4.536 0.283 1.00 0.00 C ATOM 751 CE LYS B 29 -16.513 3.764 0.363 1.00 0.00 C ATOM 752 NZ LYS B 29 -16.254 2.387 0.870 1.00 0.00 N ATOM 753 OXT LYS B 29 -13.523 7.668 -3.856 1.00 0.00 O ATOM 0 H LYS B 29 -12.130 6.183 -2.578 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.019 5.423 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.353 6.334 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.328 7.712 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.700 6.548 0.891 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.364 6.088 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.556 4.107 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.653 4.452 1.226 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.209 4.281 1.023 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.980 3.719 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.151 1.863 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.604 1.896 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.826 2.440 1.817 1.00 0.00 H new TER 767 LYS B 29