USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 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 34 CYS SG : rot 174:sc= -4.82! USER MOD Set 1.2: A 37 CYS SG : rot 137:sc= -1.35 USER MOD Set 1.3: A 54 CYS SG : rot 147:sc= -3.43! USER MOD Set 1.4: A 58 HIS : no HE2:sc= -0.222 K(o=-9.8,f=-23!) USER MOD Set 2.1: A 5 CYS SG : rot 166:sc= -2.63! USER MOD Set 2.2: A 8 CYS SG : rot -119:sc= 0.298 USER MOD Set 2.3: A 21 CYS SG : rot 10:sc= 1.16 USER MOD Set 2.4: A 23 THR OG1 : rot 61:sc= -0.218 USER MOD Set 2.5: A 24 CYS SG : rot 83:sc= 0.0265 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.0037) USER MOD Single : A 10 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.3!) USER MOD Single : A 15 ASN : amide:sc= -0.0368 K(o=-0.037,f=-0.94) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.0053) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 39 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.7) USER MOD Single : A 42 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.18) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= -0.735 (180deg=-2.75!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.41) USER MOD Single : A 56 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.08) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.518! C(o=-0.52!,f=-3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.078 4.353 5.396 1.00 0.00 N ATOM 21 CA GLU A 2 11.342 5.466 4.830 1.00 0.00 C ATOM 22 C GLU A 2 10.935 5.176 3.394 1.00 0.00 C ATOM 23 O GLU A 2 11.720 4.643 2.610 1.00 0.00 O ATOM 24 CB GLU A 2 12.176 6.752 4.885 1.00 0.00 C ATOM 25 CG GLU A 2 12.536 7.208 6.294 1.00 0.00 C ATOM 26 CD GLU A 2 13.664 6.405 6.919 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.835 6.637 6.553 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.391 5.553 7.789 1.00 0.00 O ATOM 0 HA GLU A 2 10.440 5.604 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.095 6.599 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.625 7.550 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.821 8.260 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.653 7.134 6.928 1.00 0.00 H new ATOM 35 N ILE A 3 9.698 5.515 3.062 1.00 0.00 N ATOM 36 CA ILE A 3 9.207 5.383 1.698 1.00 0.00 C ATOM 37 C ILE A 3 9.823 6.474 0.831 1.00 0.00 C ATOM 38 O ILE A 3 9.554 7.657 1.031 1.00 0.00 O ATOM 39 CB ILE A 3 7.669 5.497 1.644 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.031 4.538 2.656 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.160 5.208 0.236 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.533 4.707 2.791 1.00 0.00 C ATOM 0 H ILE A 3 9.013 5.885 3.721 1.00 0.00 H new ATOM 0 HA ILE A 3 9.492 4.399 1.326 1.00 0.00 H new ATOM 0 HB ILE A 3 7.386 6.517 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.247 3.512 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.495 4.691 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.073 5.293 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.592 5.925 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.450 4.199 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.151 3.996 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.310 5.722 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.058 4.525 1.827 1.00 0.00 H new ATOM 54 N THR A 4 10.661 6.078 -0.112 1.00 0.00 N ATOM 55 CA THR A 4 11.405 7.036 -0.912 1.00 0.00 C ATOM 56 C THR A 4 11.032 6.953 -2.387 1.00 0.00 C ATOM 57 O THR A 4 10.880 5.860 -2.934 1.00 0.00 O ATOM 58 CB THR A 4 12.918 6.793 -0.774 1.00 0.00 C ATOM 59 OG1 THR A 4 13.224 5.443 -1.155 1.00 0.00 O ATOM 60 CG2 THR A 4 13.386 7.045 0.653 1.00 0.00 C ATOM 0 H THR A 4 10.843 5.101 -0.342 1.00 0.00 H new ATOM 0 HA THR A 4 11.147 8.027 -0.539 1.00 0.00 H new ATOM 0 HB THR A 4 13.440 7.489 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.188 5.289 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.459 6.866 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.173 8.078 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.862 6.372 1.332 1.00 0.00 H new ATOM 68 N CYS A 5 10.883 8.111 -3.021 1.00 0.00 N ATOM 69 CA CYS A 5 10.731 8.174 -4.470 1.00 0.00 C ATOM 70 C CYS A 5 12.036 7.721 -5.123 1.00 0.00 C ATOM 71 O CYS A 5 13.119 8.175 -4.731 1.00 0.00 O ATOM 72 CB CYS A 5 10.374 9.602 -4.908 1.00 0.00 C ATOM 73 SG CYS A 5 10.230 9.832 -6.700 1.00 0.00 S ATOM 0 H CYS A 5 10.864 9.018 -2.555 1.00 0.00 H new ATOM 0 HA CYS A 5 9.921 7.515 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.430 9.885 -4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.134 10.285 -4.528 1.00 0.00 H new ATOM 0 HG CYS A 5 9.640 10.964 -6.946 1.00 0.00 H new ATOM 78 N PRO A 6 11.953 6.818 -6.114 1.00 0.00 N ATOM 79 CA PRO A 6 13.131 6.200 -6.743 1.00 0.00 C ATOM 80 C PRO A 6 14.091 7.212 -7.369 1.00 0.00 C ATOM 81 O PRO A 6 15.286 6.944 -7.503 1.00 0.00 O ATOM 82 CB PRO A 6 12.535 5.294 -7.829 1.00 0.00 C ATOM 83 CG PRO A 6 11.145 5.792 -8.035 1.00 0.00 C ATOM 84 CD PRO A 6 10.700 6.321 -6.704 1.00 0.00 C ATOM 0 HA PRO A 6 13.733 5.673 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.114 5.351 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.537 4.250 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.118 6.573 -8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.489 4.991 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.961 7.115 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.245 5.543 -6.091 1.00 0.00 H new ATOM 92 N VAL A 7 13.572 8.370 -7.751 1.00 0.00 N ATOM 93 CA VAL A 7 14.396 9.397 -8.378 1.00 0.00 C ATOM 94 C VAL A 7 14.764 10.490 -7.368 1.00 0.00 C ATOM 95 O VAL A 7 15.499 11.426 -7.678 1.00 0.00 O ATOM 96 CB VAL A 7 13.674 10.019 -9.600 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.483 10.860 -9.164 1.00 0.00 C ATOM 98 CG2 VAL A 7 14.632 10.838 -10.454 1.00 0.00 C ATOM 0 H VAL A 7 12.590 8.623 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 7 15.313 8.921 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 7 13.302 9.198 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.996 11.284 -10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.774 10.234 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.825 11.666 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.093 11.260 -11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.055 11.645 -9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.435 10.197 -10.817 1.00 0.00 H new ATOM 108 N CYS A 8 14.272 10.354 -6.147 1.00 0.00 N ATOM 109 CA CYS A 8 14.483 11.377 -5.133 1.00 0.00 C ATOM 110 C CYS A 8 15.385 10.910 -4.001 1.00 0.00 C ATOM 111 O CYS A 8 16.187 11.691 -3.492 1.00 0.00 O ATOM 112 CB CYS A 8 13.148 11.831 -4.548 1.00 0.00 C ATOM 113 SG CYS A 8 12.183 12.892 -5.641 1.00 0.00 S ATOM 0 H CYS A 8 13.727 9.551 -5.834 1.00 0.00 H new ATOM 0 HA CYS A 8 14.980 12.207 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.555 10.951 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.335 12.364 -3.616 1.00 0.00 H new ATOM 0 HG CYS A 8 12.003 14.048 -5.075 1.00 0.00 H new ATOM 118 N HIS A 9 15.221 9.653 -3.580 1.00 0.00 N ATOM 119 CA HIS A 9 15.882 9.150 -2.370 1.00 0.00 C ATOM 120 C HIS A 9 15.437 9.971 -1.161 1.00 0.00 C ATOM 121 O HIS A 9 16.091 9.994 -0.119 1.00 0.00 O ATOM 122 CB HIS A 9 17.412 9.176 -2.505 1.00 0.00 C ATOM 123 CG HIS A 9 17.953 8.064 -3.349 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.837 8.258 -4.387 1.00 0.00 N ATOM 125 CD2 HIS A 9 17.725 6.732 -3.298 1.00 0.00 C ATOM 126 CE1 HIS A 9 19.125 7.096 -4.940 1.00 0.00 C ATOM 127 NE2 HIS A 9 18.463 6.151 -4.296 1.00 0.00 N ATOM 0 H HIS A 9 14.638 8.965 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 9 15.587 8.110 -2.230 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.715 10.130 -2.936 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.858 9.119 -1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.080 6.220 -2.599 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.789 6.943 -5.777 1.00 0.00 H new ATOM 0 HE2 HIS A 9 18.496 5.154 -4.507 1.00 0.00 H new ATOM 136 N HIS A 10 14.302 10.633 -1.323 1.00 0.00 N ATOM 137 CA HIS A 10 13.707 11.452 -0.280 1.00 0.00 C ATOM 138 C HIS A 10 12.486 10.746 0.279 1.00 0.00 C ATOM 139 O HIS A 10 11.778 10.060 -0.460 1.00 0.00 O ATOM 140 CB HIS A 10 13.287 12.814 -0.842 1.00 0.00 C ATOM 141 CG HIS A 10 14.375 13.847 -0.891 1.00 0.00 C ATOM 142 ND1 HIS A 10 15.431 13.803 -1.782 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.542 14.981 -0.171 1.00 0.00 C ATOM 144 CE1 HIS A 10 16.192 14.867 -1.606 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.677 15.593 -0.636 1.00 0.00 N ATOM 0 H HIS A 10 13.764 10.616 -2.189 1.00 0.00 H new ATOM 0 HA HIS A 10 14.444 11.606 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.899 12.669 -1.850 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.467 13.201 -0.238 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.596 13.065 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.901 15.337 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.086 15.102 -2.164 1.00 0.00 H new ATOM 154 N ALA A 11 12.243 10.912 1.569 1.00 0.00 N ATOM 155 CA ALA A 11 11.089 10.301 2.209 1.00 0.00 C ATOM 156 C ALA A 11 9.818 11.033 1.803 1.00 0.00 C ATOM 157 O ALA A 11 9.761 12.260 1.840 1.00 0.00 O ATOM 158 CB ALA A 11 11.252 10.301 3.720 1.00 0.00 C ATOM 0 H ALA A 11 12.830 11.465 2.194 1.00 0.00 H new ATOM 0 HA ALA A 11 11.013 9.265 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.378 9.840 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.145 9.737 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.350 11.327 4.075 1.00 0.00 H new ATOM 164 N LEU A 12 8.820 10.271 1.394 1.00 0.00 N ATOM 165 CA LEU A 12 7.566 10.832 0.919 1.00 0.00 C ATOM 166 C LEU A 12 6.633 11.115 2.088 1.00 0.00 C ATOM 167 O LEU A 12 6.587 10.345 3.052 1.00 0.00 O ATOM 168 CB LEU A 12 6.901 9.853 -0.050 1.00 0.00 C ATOM 169 CG LEU A 12 7.818 9.288 -1.137 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.069 8.296 -2.008 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.394 10.403 -1.988 1.00 0.00 C ATOM 0 H LEU A 12 8.854 9.252 1.381 1.00 0.00 H new ATOM 0 HA LEU A 12 7.773 11.770 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.489 9.022 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.062 10.356 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 12 8.641 8.768 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.739 7.906 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.705 7.474 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.225 8.795 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.043 9.978 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.583 10.954 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.971 11.080 -1.358 1.00 0.00 H new ATOM 183 N GLU A 13 5.900 12.217 2.007 1.00 0.00 N ATOM 184 CA GLU A 13 4.947 12.570 3.050 1.00 0.00 C ATOM 185 C GLU A 13 3.724 11.665 2.989 1.00 0.00 C ATOM 186 O GLU A 13 3.059 11.562 1.956 1.00 0.00 O ATOM 187 CB GLU A 13 4.534 14.039 2.945 1.00 0.00 C ATOM 188 CG GLU A 13 5.389 14.982 3.782 1.00 0.00 C ATOM 189 CD GLU A 13 6.855 14.982 3.392 1.00 0.00 C ATOM 190 OE1 GLU A 13 7.616 14.146 3.917 1.00 0.00 O ATOM 191 OE2 GLU A 13 7.256 15.840 2.575 1.00 0.00 O ATOM 0 H GLU A 13 5.947 12.880 1.233 1.00 0.00 H new ATOM 0 HA GLU A 13 5.436 12.426 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.586 14.347 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.493 14.137 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.997 15.995 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.301 14.703 4.832 1.00 0.00 H new ATOM 198 N ARG A 14 3.437 11.019 4.106 1.00 0.00 N ATOM 199 CA ARG A 14 2.394 10.009 4.181 1.00 0.00 C ATOM 200 C ARG A 14 1.160 10.570 4.886 1.00 0.00 C ATOM 201 O ARG A 14 1.108 10.635 6.114 1.00 0.00 O ATOM 202 CB ARG A 14 2.947 8.785 4.921 1.00 0.00 C ATOM 203 CG ARG A 14 2.053 7.557 4.907 1.00 0.00 C ATOM 204 CD ARG A 14 2.752 6.393 5.596 1.00 0.00 C ATOM 205 NE ARG A 14 1.915 5.199 5.696 1.00 0.00 N ATOM 206 CZ ARG A 14 1.926 4.368 6.740 1.00 0.00 C ATOM 207 NH1 ARG A 14 2.736 4.592 7.770 1.00 0.00 N ATOM 208 NH2 ARG A 14 1.131 3.309 6.742 1.00 0.00 N ATOM 0 H ARG A 14 3.922 11.180 4.989 1.00 0.00 H new ATOM 0 HA ARG A 14 2.090 9.712 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.908 8.519 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.137 9.063 5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.112 7.777 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.808 7.288 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.661 6.147 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.057 6.701 6.596 1.00 0.00 H new ATOM 0 HE ARG A 14 1.285 4.988 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.354 5.403 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.739 3.953 8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.515 3.132 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.135 2.670 7.537 1.00 0.00 H new ATOM 222 N ASN A 15 0.179 10.994 4.099 1.00 0.00 N ATOM 223 CA ASN A 15 -1.033 11.611 4.646 1.00 0.00 C ATOM 224 C ASN A 15 -2.034 10.544 5.090 1.00 0.00 C ATOM 225 O ASN A 15 -2.040 10.128 6.249 1.00 0.00 O ATOM 226 CB ASN A 15 -1.669 12.552 3.612 1.00 0.00 C ATOM 227 CG ASN A 15 -2.904 13.264 4.138 1.00 0.00 C ATOM 228 OD1 ASN A 15 -4.025 12.775 4.000 1.00 0.00 O ATOM 229 ND2 ASN A 15 -2.712 14.433 4.729 1.00 0.00 N ATOM 0 H ASN A 15 0.194 10.924 3.082 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.753 12.197 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.933 13.294 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.937 11.979 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.508 14.960 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.768 14.807 4.825 1.00 0.00 H new ATOM 236 N GLY A 16 -2.874 10.097 4.164 1.00 0.00 N ATOM 237 CA GLY A 16 -3.802 9.021 4.454 1.00 0.00 C ATOM 238 C GLY A 16 -3.269 7.706 3.944 1.00 0.00 C ATOM 239 O GLY A 16 -3.900 7.051 3.116 1.00 0.00 O ATOM 0 H GLY A 16 -2.929 10.463 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.970 8.959 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.767 9.232 3.992 1.00 0.00 H new ATOM 243 N ASP A 17 -2.077 7.355 4.427 1.00 0.00 N ATOM 244 CA ASP A 17 -1.322 6.191 3.955 1.00 0.00 C ATOM 245 C ASP A 17 -0.985 6.340 2.472 1.00 0.00 C ATOM 246 O ASP A 17 -0.638 5.384 1.783 1.00 0.00 O ATOM 247 CB ASP A 17 -2.071 4.883 4.213 1.00 0.00 C ATOM 248 CG ASP A 17 -1.129 3.792 4.681 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.045 3.794 4.257 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.541 2.955 5.508 1.00 0.00 O ATOM 0 H ASP A 17 -1.602 7.875 5.165 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.393 6.148 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.844 5.046 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.575 4.564 3.301 1.00 0.00 H new ATOM 255 N THR A 18 -1.086 7.567 1.994 1.00 0.00 N ATOM 256 CA THR A 18 -0.703 7.908 0.641 1.00 0.00 C ATOM 257 C THR A 18 0.579 8.722 0.701 1.00 0.00 C ATOM 258 O THR A 18 0.731 9.565 1.590 1.00 0.00 O ATOM 259 CB THR A 18 -1.821 8.707 -0.050 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.090 8.091 0.227 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.607 8.769 -1.553 1.00 0.00 C ATOM 0 H THR A 18 -1.437 8.356 2.537 1.00 0.00 H new ATOM 0 HA THR A 18 -0.539 7.001 0.059 1.00 0.00 H new ATOM 0 HB THR A 18 -1.804 9.725 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.803 8.600 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.414 9.340 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.653 9.253 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.600 7.758 -1.962 1.00 0.00 H new ATOM 269 N ALA A 19 1.495 8.485 -0.225 1.00 0.00 N ATOM 270 CA ALA A 19 2.826 9.058 -0.120 1.00 0.00 C ATOM 271 C ALA A 19 3.073 10.115 -1.190 1.00 0.00 C ATOM 272 O ALA A 19 3.277 9.804 -2.360 1.00 0.00 O ATOM 273 CB ALA A 19 3.864 7.955 -0.213 1.00 0.00 C ATOM 0 H ALA A 19 1.343 7.905 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 19 2.907 9.553 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.862 8.387 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.712 7.243 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.765 7.442 -1.170 1.00 0.00 H new ATOM 279 N HIS A 20 3.059 11.371 -0.763 1.00 0.00 N ATOM 280 CA HIS A 20 3.275 12.503 -1.657 1.00 0.00 C ATOM 281 C HIS A 20 4.764 12.750 -1.863 1.00 0.00 C ATOM 282 O HIS A 20 5.513 12.901 -0.898 1.00 0.00 O ATOM 283 CB HIS A 20 2.607 13.761 -1.075 1.00 0.00 C ATOM 284 CG HIS A 20 2.860 15.018 -1.860 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.017 15.471 -2.848 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.870 15.919 -1.792 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.496 16.590 -3.355 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.618 16.885 -2.731 1.00 0.00 N ATOM 0 H HIS A 20 2.898 11.634 0.209 1.00 0.00 H new ATOM 0 HA HIS A 20 2.828 12.273 -2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.532 13.593 -1.018 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.962 13.907 -0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.716 15.883 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.045 17.167 -4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.204 17.699 -2.916 1.00 0.00 H new ATOM 297 N CYS A 21 5.185 12.791 -3.120 1.00 0.00 N ATOM 298 CA CYS A 21 6.568 13.106 -3.445 1.00 0.00 C ATOM 299 C CYS A 21 6.813 14.606 -3.365 1.00 0.00 C ATOM 300 O CYS A 21 6.048 15.403 -3.910 1.00 0.00 O ATOM 301 CB CYS A 21 6.932 12.589 -4.833 1.00 0.00 C ATOM 302 SG CYS A 21 8.595 13.041 -5.363 1.00 0.00 S ATOM 0 H CYS A 21 4.590 12.611 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 21 7.204 12.609 -2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.840 11.503 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.213 12.976 -5.555 1.00 0.00 H new ATOM 0 HG CYS A 21 9.244 13.558 -4.362 1.00 0.00 H new ATOM 307 N GLU A 22 7.899 14.970 -2.697 1.00 0.00 N ATOM 308 CA GLU A 22 8.220 16.364 -2.419 1.00 0.00 C ATOM 309 C GLU A 22 8.526 17.170 -3.680 1.00 0.00 C ATOM 310 O GLU A 22 8.130 18.330 -3.789 1.00 0.00 O ATOM 311 CB GLU A 22 9.401 16.452 -1.435 1.00 0.00 C ATOM 312 CG GLU A 22 10.326 15.231 -1.422 1.00 0.00 C ATOM 313 CD GLU A 22 11.122 15.040 -2.703 1.00 0.00 C ATOM 314 OE1 GLU A 22 10.617 14.439 -3.653 1.00 0.00 O ATOM 315 OE2 GLU A 22 12.275 15.474 -2.791 1.00 0.00 O ATOM 0 H GLU A 22 8.583 14.307 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 22 7.331 16.807 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.993 17.334 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.006 16.601 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.020 15.323 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.728 14.338 -1.242 1.00 0.00 H new ATOM 322 N THR A 23 9.211 16.564 -4.635 1.00 0.00 N ATOM 323 CA THR A 23 9.706 17.306 -5.785 1.00 0.00 C ATOM 324 C THR A 23 8.955 16.967 -7.073 1.00 0.00 C ATOM 325 O THR A 23 8.773 17.826 -7.933 1.00 0.00 O ATOM 326 CB THR A 23 11.213 17.056 -5.983 1.00 0.00 C ATOM 327 OG1 THR A 23 11.489 15.644 -5.912 1.00 0.00 O ATOM 328 CG2 THR A 23 12.032 17.791 -4.931 1.00 0.00 C ATOM 0 H THR A 23 9.436 15.569 -4.639 1.00 0.00 H new ATOM 0 HA THR A 23 9.532 18.361 -5.572 1.00 0.00 H new ATOM 0 HB THR A 23 11.494 17.435 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.001 15.179 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.092 17.597 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.843 18.862 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.748 17.441 -3.939 1.00 0.00 H new ATOM 336 N CYS A 24 8.512 15.725 -7.207 1.00 0.00 N ATOM 337 CA CYS A 24 7.864 15.292 -8.439 1.00 0.00 C ATOM 338 C CYS A 24 6.381 15.666 -8.454 1.00 0.00 C ATOM 339 O CYS A 24 5.718 15.538 -9.488 1.00 0.00 O ATOM 340 CB CYS A 24 8.038 13.783 -8.633 1.00 0.00 C ATOM 341 SG CYS A 24 9.765 13.248 -8.753 1.00 0.00 S ATOM 0 H CYS A 24 8.587 15.006 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 24 8.345 15.811 -9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.565 13.263 -7.800 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.511 13.481 -9.538 1.00 0.00 H new ATOM 0 HG CYS A 24 10.260 13.109 -7.559 1.00 0.00 H new ATOM 346 N ALA A 25 5.872 16.132 -7.307 1.00 0.00 N ATOM 347 CA ALA A 25 4.460 16.511 -7.168 1.00 0.00 C ATOM 348 C ALA A 25 3.550 15.329 -7.495 1.00 0.00 C ATOM 349 O ALA A 25 2.430 15.493 -7.982 1.00 0.00 O ATOM 350 CB ALA A 25 4.135 17.706 -8.055 1.00 0.00 C ATOM 0 H ALA A 25 6.421 16.256 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 25 4.283 16.799 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.084 17.971 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.757 18.553 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.330 17.450 -9.096 1.00 0.00 H new ATOM 356 N LYS A 26 4.044 14.140 -7.201 1.00 0.00 N ATOM 357 CA LYS A 26 3.348 12.908 -7.524 1.00 0.00 C ATOM 358 C LYS A 26 3.198 12.060 -6.269 1.00 0.00 C ATOM 359 O LYS A 26 4.190 11.687 -5.647 1.00 0.00 O ATOM 360 CB LYS A 26 4.149 12.154 -8.594 1.00 0.00 C ATOM 361 CG LYS A 26 3.604 10.780 -8.948 1.00 0.00 C ATOM 362 CD LYS A 26 4.509 10.086 -9.953 1.00 0.00 C ATOM 363 CE LYS A 26 4.074 8.656 -10.210 1.00 0.00 C ATOM 364 NZ LYS A 26 5.005 7.957 -11.134 1.00 0.00 N ATOM 0 H LYS A 26 4.939 14.001 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 26 2.353 13.128 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.181 12.761 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.177 12.044 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.520 10.173 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.600 10.877 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.504 10.641 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.535 10.093 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.024 8.115 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.069 8.651 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.676 6.982 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.033 8.459 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.958 7.940 -10.719 1.00 0.00 H new ATOM 378 N ASP A 27 1.969 11.774 -5.882 1.00 0.00 N ATOM 379 CA ASP A 27 1.733 10.943 -4.714 1.00 0.00 C ATOM 380 C ASP A 27 1.409 9.516 -5.133 1.00 0.00 C ATOM 381 O ASP A 27 0.775 9.280 -6.162 1.00 0.00 O ATOM 382 CB ASP A 27 0.625 11.521 -3.823 1.00 0.00 C ATOM 383 CG ASP A 27 -0.696 11.709 -4.539 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.819 12.683 -5.316 1.00 0.00 O ATOM 385 OD2 ASP A 27 -1.627 10.914 -4.294 1.00 0.00 O ATOM 0 H ASP A 27 1.125 12.101 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 27 2.649 10.930 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.475 10.859 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.954 12.482 -3.427 1.00 0.00 H new ATOM 390 N PHE A 28 1.894 8.568 -4.348 1.00 0.00 N ATOM 391 CA PHE A 28 1.728 7.156 -4.647 1.00 0.00 C ATOM 392 C PHE A 28 0.684 6.533 -3.734 1.00 0.00 C ATOM 393 O PHE A 28 0.751 6.671 -2.510 1.00 0.00 O ATOM 394 CB PHE A 28 3.059 6.414 -4.484 1.00 0.00 C ATOM 395 CG PHE A 28 4.154 6.917 -5.385 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.971 7.965 -4.989 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.369 6.337 -6.624 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.980 8.426 -5.815 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.374 6.794 -7.453 1.00 0.00 C ATOM 400 CZ PHE A 28 6.182 7.838 -7.049 1.00 0.00 C ATOM 0 H PHE A 28 2.412 8.755 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 28 1.393 7.068 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.387 6.500 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.899 5.354 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.818 8.427 -4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.743 5.518 -6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.609 9.244 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.528 6.335 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.970 8.194 -7.696 1.00 0.00 H new ATOM 410 N SER A 29 -0.284 5.860 -4.333 1.00 0.00 N ATOM 411 CA SER A 29 -1.292 5.147 -3.576 1.00 0.00 C ATOM 412 C SER A 29 -0.753 3.776 -3.180 1.00 0.00 C ATOM 413 O SER A 29 -0.376 2.969 -4.035 1.00 0.00 O ATOM 414 CB SER A 29 -2.577 5.008 -4.401 1.00 0.00 C ATOM 415 OG SER A 29 -3.633 4.458 -3.628 1.00 0.00 O ATOM 0 H SER A 29 -0.391 5.794 -5.345 1.00 0.00 H new ATOM 0 HA SER A 29 -1.530 5.708 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.874 5.985 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.388 4.372 -5.266 1.00 0.00 H new ATOM 0 HG SER A 29 -4.439 4.383 -4.181 1.00 0.00 H new ATOM 421 N LEU A 30 -0.700 3.528 -1.881 1.00 0.00 N ATOM 422 CA LEU A 30 -0.164 2.276 -1.377 1.00 0.00 C ATOM 423 C LEU A 30 -1.298 1.337 -1.012 1.00 0.00 C ATOM 424 O LEU A 30 -2.374 1.770 -0.606 1.00 0.00 O ATOM 425 CB LEU A 30 0.720 2.535 -0.152 1.00 0.00 C ATOM 426 CG LEU A 30 1.911 3.465 -0.400 1.00 0.00 C ATOM 427 CD1 LEU A 30 2.692 3.678 0.885 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.814 2.898 -1.485 1.00 0.00 C ATOM 0 H LEU A 30 -1.020 4.175 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 30 0.443 1.813 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.103 2.962 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.094 1.580 0.216 1.00 0.00 H new ATOM 0 HG LEU A 30 1.532 4.429 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.535 4.341 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.042 4.127 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.060 2.719 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.655 3.572 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.186 1.922 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.249 2.793 -2.411 1.00 0.00 H new ATOM 440 N GLN A 31 -1.057 0.050 -1.188 1.00 0.00 N ATOM 441 CA GLN A 31 -2.058 -0.953 -0.880 1.00 0.00 C ATOM 442 C GLN A 31 -1.566 -1.865 0.235 1.00 0.00 C ATOM 443 O GLN A 31 -0.486 -2.453 0.144 1.00 0.00 O ATOM 444 CB GLN A 31 -2.399 -1.767 -2.131 1.00 0.00 C ATOM 445 CG GLN A 31 -3.428 -2.856 -1.887 1.00 0.00 C ATOM 446 CD GLN A 31 -3.910 -3.501 -3.169 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.185 -3.566 -4.162 1.00 0.00 O ATOM 448 NE2 GLN A 31 -5.141 -3.982 -3.155 1.00 0.00 N ATOM 0 H GLN A 31 -0.177 -0.324 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.963 -0.450 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.772 -1.093 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.487 -2.221 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.996 -3.620 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.280 -2.433 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.708 -3.907 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.524 -4.428 -3.989 1.00 0.00 H new ATOM 457 N ALA A 32 -2.358 -1.949 1.291 1.00 0.00 N ATOM 458 CA ALA A 32 -2.052 -2.817 2.414 1.00 0.00 C ATOM 459 C ALA A 32 -2.278 -4.276 2.034 1.00 0.00 C ATOM 460 O ALA A 32 -3.391 -4.666 1.678 1.00 0.00 O ATOM 461 CB ALA A 32 -2.913 -2.428 3.612 1.00 0.00 C ATOM 0 H ALA A 32 -3.225 -1.421 1.393 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.003 -2.699 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.682 -3.081 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.707 -1.394 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.966 -2.531 3.352 1.00 0.00 H new ATOM 467 N LEU A 33 -1.215 -5.071 2.074 1.00 0.00 N ATOM 468 CA LEU A 33 -1.315 -6.497 1.806 1.00 0.00 C ATOM 469 C LEU A 33 -0.689 -7.284 2.954 1.00 0.00 C ATOM 470 O LEU A 33 0.081 -6.736 3.746 1.00 0.00 O ATOM 471 CB LEU A 33 -0.636 -6.856 0.479 1.00 0.00 C ATOM 472 CG LEU A 33 -1.115 -8.159 -0.163 1.00 0.00 C ATOM 473 CD1 LEU A 33 -2.598 -8.074 -0.499 1.00 0.00 C ATOM 474 CD2 LEU A 33 -0.302 -8.467 -1.409 1.00 0.00 C ATOM 0 H LEU A 33 -0.272 -4.749 2.290 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.369 -6.761 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.798 -6.041 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.439 -6.925 0.646 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.971 -8.970 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.922 -9.010 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.168 -7.898 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.767 -7.253 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.656 -9.397 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.416 -7.655 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.750 -8.570 -1.141 1.00 0.00 H new ATOM 486 N CYS A 34 -1.002 -8.566 3.038 1.00 0.00 N ATOM 487 CA CYS A 34 -0.548 -9.386 4.148 1.00 0.00 C ATOM 488 C CYS A 34 0.709 -10.164 3.805 1.00 0.00 C ATOM 489 O CYS A 34 0.735 -10.913 2.835 1.00 0.00 O ATOM 490 CB CYS A 34 -1.625 -10.391 4.536 1.00 0.00 C ATOM 491 SG CYS A 34 -3.046 -9.695 5.392 1.00 0.00 S ATOM 0 H CYS A 34 -1.569 -9.062 2.350 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.334 -8.705 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.974 -10.893 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.176 -11.154 5.171 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.952 -10.614 5.548 1.00 0.00 H new ATOM 496 N PRO A 35 1.766 -10.013 4.616 1.00 0.00 N ATOM 497 CA PRO A 35 2.960 -10.851 4.497 1.00 0.00 C ATOM 498 C PRO A 35 2.683 -12.270 4.994 1.00 0.00 C ATOM 499 O PRO A 35 3.416 -13.208 4.690 1.00 0.00 O ATOM 500 CB PRO A 35 3.980 -10.148 5.395 1.00 0.00 C ATOM 501 CG PRO A 35 3.160 -9.408 6.396 1.00 0.00 C ATOM 502 CD PRO A 35 1.893 -9.008 5.689 1.00 0.00 C ATOM 0 HA PRO A 35 3.302 -10.959 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.642 -10.866 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.611 -9.469 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.942 -10.035 7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.693 -8.532 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.035 -9.028 6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.960 -7.997 5.287 1.00 0.00 H new ATOM 510 N ASP A 36 1.598 -12.410 5.752 1.00 0.00 N ATOM 511 CA ASP A 36 1.198 -13.700 6.309 1.00 0.00 C ATOM 512 C ASP A 36 0.238 -14.422 5.367 1.00 0.00 C ATOM 513 O ASP A 36 0.016 -15.624 5.494 1.00 0.00 O ATOM 514 CB ASP A 36 0.516 -13.506 7.670 1.00 0.00 C ATOM 515 CG ASP A 36 -0.881 -12.926 7.539 1.00 0.00 C ATOM 516 OD1 ASP A 36 -1.033 -11.783 7.082 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.868 -13.608 7.860 1.00 0.00 O ATOM 0 H ASP A 36 0.976 -11.639 5.996 1.00 0.00 H new ATOM 0 HA ASP A 36 2.097 -14.303 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.462 -14.464 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.124 -12.845 8.288 1.00 0.00 H new ATOM 522 N CYS A 37 -0.335 -13.671 4.431 1.00 0.00 N ATOM 523 CA CYS A 37 -1.296 -14.218 3.477 1.00 0.00 C ATOM 524 C CYS A 37 -1.500 -13.251 2.308 1.00 0.00 C ATOM 525 O CYS A 37 -2.342 -12.355 2.371 1.00 0.00 O ATOM 526 CB CYS A 37 -2.638 -14.538 4.171 1.00 0.00 C ATOM 527 SG CYS A 37 -3.234 -13.277 5.346 1.00 0.00 S ATOM 0 H CYS A 37 -0.149 -12.675 4.312 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.894 -15.151 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.398 -14.683 3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.536 -15.485 4.702 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.511 -13.097 5.179 1.00 0.00 H new ATOM 532 N ARG A 38 -0.711 -13.419 1.249 1.00 0.00 N ATOM 533 CA ARG A 38 -0.746 -12.494 0.117 1.00 0.00 C ATOM 534 C ARG A 38 -1.902 -12.796 -0.829 1.00 0.00 C ATOM 535 O ARG A 38 -1.721 -13.386 -1.897 1.00 0.00 O ATOM 536 CB ARG A 38 0.581 -12.487 -0.647 1.00 0.00 C ATOM 537 CG ARG A 38 1.668 -11.664 0.023 1.00 0.00 C ATOM 538 CD ARG A 38 2.963 -11.692 -0.767 1.00 0.00 C ATOM 539 NE ARG A 38 3.815 -10.550 -0.438 1.00 0.00 N ATOM 540 CZ ARG A 38 5.043 -10.644 0.065 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.568 -11.832 0.345 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.741 -9.543 0.300 1.00 0.00 N ATOM 0 H ARG A 38 -0.042 -14.183 1.150 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.905 -11.499 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.931 -13.513 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.410 -12.098 -1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.330 -10.633 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.847 -12.047 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.498 -12.619 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.740 -11.686 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 38 3.442 -9.616 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.029 -12.681 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.510 -11.895 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.336 -8.629 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.683 -9.609 0.686 1.00 0.00 H new ATOM 556 N GLN A 39 -3.084 -12.404 -0.391 1.00 0.00 N ATOM 557 CA GLN A 39 -4.297 -12.431 -1.194 1.00 0.00 C ATOM 558 C GLN A 39 -5.093 -11.183 -0.842 1.00 0.00 C ATOM 559 O GLN A 39 -4.774 -10.541 0.155 1.00 0.00 O ATOM 560 CB GLN A 39 -5.136 -13.689 -0.902 1.00 0.00 C ATOM 561 CG GLN A 39 -4.521 -14.992 -1.384 1.00 0.00 C ATOM 562 CD GLN A 39 -4.329 -15.038 -2.889 1.00 0.00 C ATOM 563 OE1 GLN A 39 -5.061 -14.399 -3.647 1.00 0.00 O ATOM 564 NE2 GLN A 39 -3.362 -15.821 -3.330 1.00 0.00 N ATOM 0 H GLN A 39 -3.233 -12.050 0.554 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.042 -12.455 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.300 -13.757 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.115 -13.572 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.557 -15.134 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.158 -15.822 -1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.778 -16.333 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.198 -15.914 -4.332 1.00 0.00 H new ATOM 573 N PRO A 40 -6.113 -10.804 -1.633 1.00 0.00 N ATOM 574 CA PRO A 40 -6.956 -9.641 -1.320 1.00 0.00 C ATOM 575 C PRO A 40 -7.458 -9.662 0.125 1.00 0.00 C ATOM 576 O PRO A 40 -8.083 -10.632 0.559 1.00 0.00 O ATOM 577 CB PRO A 40 -8.126 -9.784 -2.294 1.00 0.00 C ATOM 578 CG PRO A 40 -7.564 -10.530 -3.456 1.00 0.00 C ATOM 579 CD PRO A 40 -6.517 -11.456 -2.895 1.00 0.00 C ATOM 0 HA PRO A 40 -6.412 -8.701 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.955 -10.326 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.510 -8.810 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.343 -11.091 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.128 -9.846 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.918 -12.454 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.674 -11.567 -3.577 1.00 0.00 H new ATOM 587 N LEU A 41 -7.167 -8.598 0.870 1.00 0.00 N ATOM 588 CA LEU A 41 -7.567 -8.514 2.271 1.00 0.00 C ATOM 589 C LEU A 41 -9.027 -8.095 2.379 1.00 0.00 C ATOM 590 O LEU A 41 -9.695 -7.875 1.368 1.00 0.00 O ATOM 591 CB LEU A 41 -6.696 -7.507 3.039 1.00 0.00 C ATOM 592 CG LEU A 41 -5.184 -7.604 2.808 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.434 -6.815 3.871 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.731 -9.047 2.806 1.00 0.00 C ATOM 0 H LEU A 41 -6.657 -7.784 0.527 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.433 -9.502 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.019 -6.501 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.888 -7.631 4.105 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.960 -7.175 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.361 -6.894 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.734 -5.768 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.669 -7.217 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.655 -9.090 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.969 -9.504 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.243 -9.588 2.010 1.00 0.00 H new ATOM 606 N GLN A 42 -9.520 -7.972 3.603 1.00 0.00 N ATOM 607 CA GLN A 42 -10.873 -7.502 3.816 1.00 0.00 C ATOM 608 C GLN A 42 -10.856 -5.983 3.804 1.00 0.00 C ATOM 609 O GLN A 42 -10.205 -5.354 4.644 1.00 0.00 O ATOM 610 CB GLN A 42 -11.437 -8.022 5.142 1.00 0.00 C ATOM 611 CG GLN A 42 -12.912 -8.398 5.076 1.00 0.00 C ATOM 612 CD GLN A 42 -13.797 -7.279 4.551 1.00 0.00 C ATOM 613 OE1 GLN A 42 -14.024 -7.162 3.345 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.307 -6.453 5.450 1.00 0.00 N ATOM 0 H GLN A 42 -9.004 -8.190 4.456 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.518 -7.877 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.863 -8.894 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.300 -7.260 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.028 -9.273 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.252 -8.683 6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.096 -6.583 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.911 -5.687 5.154 1.00 0.00 H new ATOM 623 N VAL A 43 -11.543 -5.404 2.839 1.00 0.00 N ATOM 624 CA VAL A 43 -11.528 -3.965 2.653 1.00 0.00 C ATOM 625 C VAL A 43 -12.413 -3.284 3.690 1.00 0.00 C ATOM 626 O VAL A 43 -13.641 -3.299 3.590 1.00 0.00 O ATOM 627 CB VAL A 43 -12.000 -3.581 1.234 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.835 -2.091 0.985 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.249 -4.386 0.184 1.00 0.00 C ATOM 0 H VAL A 43 -12.121 -5.910 2.168 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.500 -3.626 2.780 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.061 -3.818 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.176 -1.851 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.426 -1.533 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.784 -1.819 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.596 -4.101 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.181 -4.185 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.432 -5.449 0.341 1.00 0.00 H new ATOM 639 N LEU A 44 -11.776 -2.692 4.685 1.00 0.00 N ATOM 640 CA LEU A 44 -12.486 -2.077 5.790 1.00 0.00 C ATOM 641 C LEU A 44 -12.718 -0.597 5.526 1.00 0.00 C ATOM 642 O LEU A 44 -11.798 0.218 5.616 1.00 0.00 O ATOM 643 CB LEU A 44 -11.705 -2.265 7.094 1.00 0.00 C ATOM 644 CG LEU A 44 -11.472 -3.718 7.511 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.715 -3.777 8.828 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.795 -4.457 7.628 1.00 0.00 C ATOM 0 H LEU A 44 -10.760 -2.625 4.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.456 -2.565 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.737 -1.773 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.240 -1.755 7.895 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.871 -4.205 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.557 -4.818 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.751 -3.281 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.293 -3.274 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.610 -5.489 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.419 -3.970 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.306 -4.443 6.665 1.00 0.00 H new ATOM 658 N LYS A 45 -13.946 -0.262 5.175 1.00 0.00 N ATOM 659 CA LYS A 45 -14.328 1.120 4.940 1.00 0.00 C ATOM 660 C LYS A 45 -14.839 1.736 6.237 1.00 0.00 C ATOM 661 O LYS A 45 -15.811 1.250 6.814 1.00 0.00 O ATOM 662 CB LYS A 45 -15.417 1.192 3.865 1.00 0.00 C ATOM 663 CG LYS A 45 -15.741 2.606 3.405 1.00 0.00 C ATOM 664 CD LYS A 45 -17.004 2.666 2.546 1.00 0.00 C ATOM 665 CE LYS A 45 -16.871 1.891 1.237 1.00 0.00 C ATOM 666 NZ LYS A 45 -17.040 0.419 1.412 1.00 0.00 N ATOM 0 H LYS A 45 -14.702 -0.934 5.045 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.457 1.676 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.102 0.604 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.325 0.730 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.867 3.248 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.899 3.002 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.843 2.266 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.237 3.707 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.615 2.255 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.892 2.090 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.129 -0.057 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.368 0.220 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.740 0.066 0.729 1.00 0.00 H new ATOM 680 N ALA A 46 -14.178 2.785 6.705 1.00 0.00 N ATOM 681 CA ALA A 46 -14.572 3.427 7.951 1.00 0.00 C ATOM 682 C ALA A 46 -15.571 4.554 7.691 1.00 0.00 C ATOM 683 O ALA A 46 -16.776 4.312 7.599 1.00 0.00 O ATOM 684 CB ALA A 46 -13.349 3.935 8.701 1.00 0.00 C ATOM 0 H ALA A 46 -13.372 3.207 6.245 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.067 2.685 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.664 4.412 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.688 3.099 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.818 4.659 8.083 1.00 0.00 H new ATOM 690 N CYS A 47 -15.070 5.775 7.560 1.00 0.00 N ATOM 691 CA CYS A 47 -15.914 6.921 7.258 1.00 0.00 C ATOM 692 C CYS A 47 -15.337 7.687 6.075 1.00 0.00 C ATOM 693 O CYS A 47 -15.899 7.681 4.981 1.00 0.00 O ATOM 694 CB CYS A 47 -16.028 7.843 8.476 1.00 0.00 C ATOM 695 SG CYS A 47 -16.610 7.023 9.979 1.00 0.00 S ATOM 0 H CYS A 47 -14.079 5.997 7.659 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.912 6.563 7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -15.052 8.287 8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -16.708 8.660 8.236 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.670 7.886 10.949 1.00 0.00 H new ATOM 701 N GLY A 48 -14.192 8.318 6.297 1.00 0.00 N ATOM 702 CA GLY A 48 -13.521 9.044 5.238 1.00 0.00 C ATOM 703 C GLY A 48 -12.165 8.450 4.941 1.00 0.00 C ATOM 704 O GLY A 48 -11.233 9.155 4.547 1.00 0.00 O ATOM 0 H GLY A 48 -13.714 8.340 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.134 9.026 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.408 10.089 5.526 1.00 0.00 H new ATOM 708 N ALA A 49 -12.058 7.145 5.153 1.00 0.00 N ATOM 709 CA ALA A 49 -10.820 6.417 4.927 1.00 0.00 C ATOM 710 C ALA A 49 -11.105 4.926 4.800 1.00 0.00 C ATOM 711 O ALA A 49 -12.163 4.451 5.224 1.00 0.00 O ATOM 712 CB ALA A 49 -9.833 6.671 6.059 1.00 0.00 C ATOM 0 H ALA A 49 -12.827 6.563 5.486 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.375 6.772 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.913 6.117 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.610 7.736 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.268 6.341 7.002 1.00 0.00 H new ATOM 718 N VAL A 50 -10.164 4.195 4.226 1.00 0.00 N ATOM 719 CA VAL A 50 -10.315 2.764 4.029 1.00 0.00 C ATOM 720 C VAL A 50 -9.010 2.046 4.370 1.00 0.00 C ATOM 721 O VAL A 50 -7.926 2.574 4.126 1.00 0.00 O ATOM 722 CB VAL A 50 -10.745 2.444 2.575 1.00 0.00 C ATOM 723 CG1 VAL A 50 -9.700 2.916 1.573 1.00 0.00 C ATOM 724 CG2 VAL A 50 -11.021 0.960 2.402 1.00 0.00 C ATOM 0 H VAL A 50 -9.280 4.574 3.886 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.099 2.408 4.697 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.669 2.988 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.031 2.677 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.567 3.994 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.753 2.415 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.321 0.763 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.119 0.393 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.822 0.658 3.077 1.00 0.00 H new ATOM 734 N ASP A 51 -9.124 0.866 4.960 1.00 0.00 N ATOM 735 CA ASP A 51 -7.959 0.073 5.344 1.00 0.00 C ATOM 736 C ASP A 51 -8.144 -1.361 4.851 1.00 0.00 C ATOM 737 O ASP A 51 -9.238 -1.742 4.431 1.00 0.00 O ATOM 738 CB ASP A 51 -7.787 0.105 6.874 1.00 0.00 C ATOM 739 CG ASP A 51 -6.393 -0.282 7.355 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.596 -0.803 6.554 1.00 0.00 O ATOM 741 OD2 ASP A 51 -6.094 -0.049 8.552 1.00 0.00 O ATOM 0 H ASP A 51 -10.018 0.431 5.186 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.060 0.491 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.018 1.108 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.515 -0.570 7.324 1.00 0.00 H new ATOM 746 N TYR A 52 -7.086 -2.145 4.890 1.00 0.00 N ATOM 747 CA TYR A 52 -7.147 -3.541 4.488 1.00 0.00 C ATOM 748 C TYR A 52 -6.676 -4.409 5.641 1.00 0.00 C ATOM 749 O TYR A 52 -5.486 -4.446 5.949 1.00 0.00 O ATOM 750 CB TYR A 52 -6.276 -3.799 3.255 1.00 0.00 C ATOM 751 CG TYR A 52 -6.681 -3.013 2.030 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.631 -3.507 1.148 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.107 -1.778 1.752 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.001 -2.793 0.023 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.473 -1.059 0.631 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.419 -1.570 -0.230 1.00 0.00 C ATOM 757 OH TYR A 52 -7.781 -0.857 -1.349 1.00 0.00 O ATOM 0 H TYR A 52 -6.164 -1.838 5.199 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.177 -3.787 4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.241 -3.560 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.310 -4.862 3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.089 -4.465 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.363 -1.374 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.742 -3.192 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.019 -0.100 0.430 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.278 -0.016 -1.378 1.00 0.00 H new ATOM 767 N PHE A 53 -7.603 -5.095 6.289 1.00 0.00 N ATOM 768 CA PHE A 53 -7.261 -5.842 7.493 1.00 0.00 C ATOM 769 C PHE A 53 -8.153 -7.067 7.660 1.00 0.00 C ATOM 770 O PHE A 53 -9.367 -7.000 7.474 1.00 0.00 O ATOM 771 CB PHE A 53 -7.383 -4.927 8.712 1.00 0.00 C ATOM 772 CG PHE A 53 -6.701 -5.454 9.938 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.330 -5.317 10.085 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.423 -6.079 10.941 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.694 -5.796 11.212 1.00 0.00 C ATOM 776 CE2 PHE A 53 -6.791 -6.561 12.070 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.424 -6.420 12.206 1.00 0.00 C ATOM 0 H PHE A 53 -8.582 -5.152 6.010 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.233 -6.193 7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.963 -3.952 8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.439 -4.772 8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.754 -4.831 9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.492 -6.191 10.839 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.625 -5.683 11.317 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.365 -7.047 12.845 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.926 -6.797 13.087 1.00 0.00 H new ATOM 787 N CYS A 54 -7.537 -8.191 8.010 1.00 0.00 N ATOM 788 CA CYS A 54 -8.265 -9.428 8.234 1.00 0.00 C ATOM 789 C CYS A 54 -8.934 -9.432 9.602 1.00 0.00 C ATOM 790 O CYS A 54 -8.260 -9.556 10.625 1.00 0.00 O ATOM 791 CB CYS A 54 -7.316 -10.619 8.167 1.00 0.00 C ATOM 792 SG CYS A 54 -6.227 -10.639 6.731 1.00 0.00 S ATOM 0 H CYS A 54 -6.529 -8.267 8.145 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.025 -9.503 7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.704 -10.629 9.069 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.905 -11.536 8.171 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.086 -11.170 7.059 1.00 0.00 H new ATOM 797 N GLN A 55 -10.248 -9.286 9.629 1.00 0.00 N ATOM 798 CA GLN A 55 -10.986 -9.504 10.861 1.00 0.00 C ATOM 799 C GLN A 55 -11.223 -10.995 11.041 1.00 0.00 C ATOM 800 O GLN A 55 -10.903 -11.562 12.085 1.00 0.00 O ATOM 801 CB GLN A 55 -12.310 -8.735 10.875 1.00 0.00 C ATOM 802 CG GLN A 55 -12.128 -7.224 10.889 1.00 0.00 C ATOM 803 CD GLN A 55 -13.406 -6.471 11.211 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.615 -5.355 10.747 1.00 0.00 O ATOM 805 NE2 GLN A 55 -14.268 -7.067 12.020 1.00 0.00 N ATOM 0 H GLN A 55 -10.818 -9.022 8.826 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.394 -9.125 11.694 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.894 -9.016 9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.886 -9.033 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.365 -6.963 11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.758 -6.900 9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.063 -7.996 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.137 -6.597 12.275 1.00 0.00 H new ATOM 814 N ASN A 56 -11.757 -11.630 10.003 1.00 0.00 N ATOM 815 CA ASN A 56 -11.956 -13.077 9.996 1.00 0.00 C ATOM 816 C ASN A 56 -11.821 -13.623 8.580 1.00 0.00 C ATOM 817 O ASN A 56 -12.188 -12.957 7.611 1.00 0.00 O ATOM 818 CB ASN A 56 -13.337 -13.452 10.554 1.00 0.00 C ATOM 819 CG ASN A 56 -13.470 -13.206 12.045 1.00 0.00 C ATOM 820 OD1 ASN A 56 -13.872 -12.125 12.474 1.00 0.00 O ATOM 821 ND2 ASN A 56 -13.147 -14.207 12.845 1.00 0.00 N ATOM 0 H ASN A 56 -12.062 -11.162 9.149 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.190 -13.518 10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.101 -12.879 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.531 -14.505 10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.227 -14.098 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.817 -15.088 12.451 1.00 0.00 H new ATOM 828 N GLY A 57 -11.270 -14.826 8.469 1.00 0.00 N ATOM 829 CA GLY A 57 -11.223 -15.510 7.190 1.00 0.00 C ATOM 830 C GLY A 57 -10.079 -15.064 6.296 1.00 0.00 C ATOM 831 O GLY A 57 -10.272 -14.856 5.097 1.00 0.00 O ATOM 0 H GLY A 57 -10.854 -15.341 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.137 -16.582 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.165 -15.347 6.667 1.00 0.00 H new ATOM 835 N HIS A 58 -8.888 -14.921 6.865 1.00 0.00 N ATOM 836 CA HIS A 58 -7.698 -14.592 6.081 1.00 0.00 C ATOM 837 C HIS A 58 -6.448 -14.735 6.942 1.00 0.00 C ATOM 838 O HIS A 58 -5.607 -15.597 6.696 1.00 0.00 O ATOM 839 CB HIS A 58 -7.784 -13.172 5.511 1.00 0.00 C ATOM 840 CG HIS A 58 -7.035 -12.996 4.222 1.00 0.00 C ATOM 841 ND1 HIS A 58 -5.878 -12.248 4.105 1.00 0.00 N ATOM 842 CD2 HIS A 58 -7.300 -13.467 2.983 1.00 0.00 C ATOM 843 CE1 HIS A 58 -5.472 -12.272 2.849 1.00 0.00 C ATOM 844 NE2 HIS A 58 -6.316 -13.004 2.148 1.00 0.00 N ATOM 0 H HIS A 58 -8.718 -15.027 7.865 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.641 -15.289 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.831 -12.917 5.351 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.394 -12.470 6.247 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.412 -11.756 4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.134 -14.093 2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.595 -11.775 2.460 1.00 0.00 H new ATOM 852 N GLY A 59 -6.331 -13.885 7.955 1.00 0.00 N ATOM 853 CA GLY A 59 -5.213 -13.972 8.872 1.00 0.00 C ATOM 854 C GLY A 59 -4.726 -12.602 9.289 1.00 0.00 C ATOM 855 O GLY A 59 -4.013 -11.936 8.523 1.00 0.00 O ATOM 0 H GLY A 59 -6.993 -13.136 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.510 -14.538 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.397 -14.521 8.401 1.00 0.00 H new ATOM 859 N LEU A 60 -5.128 -12.180 10.486 1.00 0.00 N ATOM 860 CA LEU A 60 -4.815 -10.846 10.998 1.00 0.00 C ATOM 861 C LEU A 60 -3.312 -10.639 11.131 1.00 0.00 C ATOM 862 O LEU A 60 -2.554 -11.587 11.350 1.00 0.00 O ATOM 863 CB LEU A 60 -5.490 -10.601 12.357 1.00 0.00 C ATOM 864 CG LEU A 60 -4.844 -11.294 13.567 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.386 -10.711 14.858 1.00 0.00 C ATOM 866 CD2 LEU A 60 -5.085 -12.794 13.537 1.00 0.00 C ATOM 0 H LEU A 60 -5.679 -12.751 11.127 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.203 -10.129 10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.505 -9.527 12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.528 -10.927 12.288 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.769 -11.120 13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.920 -11.211 15.707 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.163 -9.645 14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.465 -10.858 14.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.616 -13.255 14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.157 -12.991 13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.655 -13.213 12.627 1.00 0.00 H new ATOM 878 N ILE A 61 -2.890 -9.395 10.979 1.00 0.00 N ATOM 879 CA ILE A 61 -1.484 -9.041 11.067 1.00 0.00 C ATOM 880 C ILE A 61 -1.296 -7.885 12.038 1.00 0.00 C ATOM 881 O ILE A 61 -2.258 -7.201 12.385 1.00 0.00 O ATOM 882 CB ILE A 61 -0.896 -8.613 9.693 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.806 -9.021 8.523 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.492 -9.202 9.504 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.000 -8.104 8.312 1.00 0.00 C ATOM 0 H ILE A 61 -3.509 -8.606 10.792 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.959 -9.932 11.412 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.829 -7.525 9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.214 -9.044 7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.167 -10.035 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.890 -8.893 8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.149 -8.846 10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.434 -10.290 9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.589 -8.463 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.618 -8.099 9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.650 -7.092 8.106 1.00 0.00 H new ATOM 897 N SER A 62 -0.069 -7.679 12.486 1.00 0.00 N ATOM 898 CA SER A 62 0.278 -6.447 13.170 1.00 0.00 C ATOM 899 C SER A 62 0.294 -5.333 12.132 1.00 0.00 C ATOM 900 O SER A 62 1.116 -5.355 11.215 1.00 0.00 O ATOM 901 CB SER A 62 1.648 -6.578 13.839 1.00 0.00 C ATOM 902 OG SER A 62 1.729 -7.774 14.596 1.00 0.00 O ATOM 0 H SER A 62 0.698 -8.344 12.389 1.00 0.00 H new ATOM 0 HA SER A 62 -0.449 -6.226 13.951 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.430 -6.570 13.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.824 -5.720 14.487 1.00 0.00 H new ATOM 0 HG SER A 62 2.613 -7.838 15.013 1.00 0.00 H new ATOM 908 N LYS A 63 -0.615 -4.372 12.252 1.00 0.00 N ATOM 909 CA LYS A 63 -0.845 -3.416 11.174 1.00 0.00 C ATOM 910 C LYS A 63 0.283 -2.383 11.067 1.00 0.00 C ATOM 911 O LYS A 63 0.250 -1.495 10.214 1.00 0.00 O ATOM 912 CB LYS A 63 -2.220 -2.752 11.313 1.00 0.00 C ATOM 913 CG LYS A 63 -2.294 -1.602 12.306 1.00 0.00 C ATOM 914 CD LYS A 63 -3.741 -1.225 12.606 1.00 0.00 C ATOM 915 CE LYS A 63 -4.599 -1.146 11.343 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.240 0.003 10.467 1.00 0.00 N ATOM 0 H LYS A 63 -1.200 -4.234 13.076 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.841 -3.973 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.527 -2.384 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.943 -3.512 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.790 -1.883 13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.766 -0.737 11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.170 -1.959 13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.764 -0.263 13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.492 -2.073 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.648 -1.065 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.807 -0.034 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.431 0.894 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.230 -0.048 10.224 1.00 0.00 H new ATOM 930 N LYS A 64 1.284 -2.512 11.925 1.00 0.00 N ATOM 931 CA LYS A 64 2.514 -1.741 11.785 1.00 0.00 C ATOM 932 C LYS A 64 3.410 -2.378 10.726 1.00 0.00 C ATOM 933 O LYS A 64 4.242 -1.714 10.113 1.00 0.00 O ATOM 934 CB LYS A 64 3.284 -1.687 13.105 1.00 0.00 C ATOM 935 CG LYS A 64 2.542 -1.011 14.243 1.00 0.00 C ATOM 936 CD LYS A 64 3.382 -1.021 15.509 1.00 0.00 C ATOM 937 CE LYS A 64 2.652 -0.384 16.674 1.00 0.00 C ATOM 938 NZ LYS A 64 3.442 -0.469 17.930 1.00 0.00 N ATOM 0 H LYS A 64 1.270 -3.143 12.726 1.00 0.00 H new ATOM 0 HA LYS A 64 2.239 -0.728 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.535 -2.704 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.225 -1.162 12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.301 0.016 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.597 -1.523 14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.645 -2.048 15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.316 -0.488 15.330 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.443 0.661 16.445 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.690 -0.878 16.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.911 -0.023 18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.620 -1.467 18.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.349 0.024 17.804 1.00 0.00 H new ATOM 952 N ARG A 65 3.219 -3.675 10.513 1.00 0.00 N ATOM 953 CA ARG A 65 4.101 -4.453 9.657 1.00 0.00 C ATOM 954 C ARG A 65 3.341 -4.989 8.441 1.00 0.00 C ATOM 955 O ARG A 65 3.671 -6.041 7.892 1.00 0.00 O ATOM 956 CB ARG A 65 4.709 -5.605 10.466 1.00 0.00 C ATOM 957 CG ARG A 65 5.859 -6.315 9.770 1.00 0.00 C ATOM 958 CD ARG A 65 6.362 -7.487 10.592 1.00 0.00 C ATOM 959 NE ARG A 65 7.376 -8.259 9.877 1.00 0.00 N ATOM 960 CZ ARG A 65 7.891 -9.403 10.320 1.00 0.00 C ATOM 961 NH1 ARG A 65 7.513 -9.906 11.487 1.00 0.00 N ATOM 962 NH2 ARG A 65 8.796 -10.042 9.591 1.00 0.00 N ATOM 0 H ARG A 65 2.455 -4.211 10.925 1.00 0.00 H new ATOM 0 HA ARG A 65 4.902 -3.810 9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.061 -5.217 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.927 -6.332 10.686 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.533 -6.668 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.674 -5.611 9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.779 -7.120 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.525 -8.137 10.848 1.00 0.00 H new ATOM 0 HE ARG A 65 7.710 -7.899 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.821 -9.415 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.914 -10.784 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.094 -9.656 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.194 -10.919 9.926 1.00 0.00 H new ATOM 976 N VAL A 66 2.320 -4.259 8.023 1.00 0.00 N ATOM 977 CA VAL A 66 1.586 -4.605 6.812 1.00 0.00 C ATOM 978 C VAL A 66 2.492 -4.424 5.602 1.00 0.00 C ATOM 979 O VAL A 66 3.316 -3.507 5.568 1.00 0.00 O ATOM 980 CB VAL A 66 0.328 -3.726 6.636 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.480 -4.166 5.432 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.530 -3.760 7.883 1.00 0.00 C ATOM 0 H VAL A 66 1.980 -3.425 8.501 1.00 0.00 H new ATOM 0 HA VAL A 66 1.267 -5.644 6.900 1.00 0.00 H new ATOM 0 HB VAL A 66 0.660 -2.701 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.360 -3.530 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.132 -4.083 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.794 -5.202 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.410 -3.134 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.843 -4.785 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.044 -3.385 8.730 1.00 0.00 H new ATOM 992 N ASN A 67 2.357 -5.294 4.617 1.00 0.00 N ATOM 993 CA ASN A 67 3.164 -5.189 3.416 1.00 0.00 C ATOM 994 C ASN A 67 2.566 -4.135 2.495 1.00 0.00 C ATOM 995 O ASN A 67 1.772 -4.443 1.606 1.00 0.00 O ATOM 996 CB ASN A 67 3.270 -6.544 2.704 1.00 0.00 C ATOM 997 CG ASN A 67 4.265 -6.535 1.551 1.00 0.00 C ATOM 998 OD1 ASN A 67 4.102 -7.263 0.572 1.00 0.00 O ATOM 999 ND2 ASN A 67 5.316 -5.733 1.668 1.00 0.00 N ATOM 0 H ASN A 67 1.701 -6.075 4.625 1.00 0.00 H new ATOM 0 HA ASN A 67 4.174 -4.887 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.566 -7.305 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.288 -6.828 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.022 -5.706 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.418 -5.143 2.494 1.00 0.00 H new ATOM 1006 N PHE A 68 2.903 -2.880 2.765 1.00 0.00 N ATOM 1007 CA PHE A 68 2.423 -1.769 1.962 1.00 0.00 C ATOM 1008 C PHE A 68 3.188 -1.699 0.652 1.00 0.00 C ATOM 1009 O PHE A 68 4.347 -1.282 0.616 1.00 0.00 O ATOM 1010 CB PHE A 68 2.564 -0.445 2.719 1.00 0.00 C ATOM 1011 CG PHE A 68 1.716 -0.356 3.956 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.345 -0.173 3.860 1.00 0.00 C ATOM 1013 CD2 PHE A 68 2.290 -0.446 5.214 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.436 -0.083 4.995 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.513 -0.358 6.354 1.00 0.00 C ATOM 1016 CZ PHE A 68 0.147 -0.176 6.244 1.00 0.00 C ATOM 0 H PHE A 68 3.510 -2.608 3.538 1.00 0.00 H new ATOM 0 HA PHE A 68 1.366 -1.935 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.609 -0.306 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.300 0.374 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.117 -0.100 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.357 -0.587 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.503 0.060 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.972 -0.431 7.329 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.463 -0.107 7.133 1.00 0.00 H new ATOM 1026 N VAL A 69 2.550 -2.141 -0.413 1.00 0.00 N ATOM 1027 CA VAL A 69 3.159 -2.108 -1.728 1.00 0.00 C ATOM 1028 C VAL A 69 2.531 -1.008 -2.568 1.00 0.00 C ATOM 1029 O VAL A 69 1.382 -0.624 -2.337 1.00 0.00 O ATOM 1030 CB VAL A 69 3.019 -3.462 -2.461 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.795 -4.549 -1.732 1.00 0.00 C ATOM 1032 CG2 VAL A 69 1.553 -3.857 -2.607 1.00 0.00 C ATOM 0 H VAL A 69 1.607 -2.529 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 69 4.221 -1.907 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 69 3.439 -3.348 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.684 -5.494 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.850 -4.278 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.408 -4.655 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.484 -4.813 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.100 -3.947 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.026 -3.094 -3.180 1.00 0.00 H new ATOM 1042 N ILE A 70 3.287 -0.489 -3.524 1.00 0.00 N ATOM 1043 CA ILE A 70 2.751 0.491 -4.450 1.00 0.00 C ATOM 1044 C ILE A 70 1.726 -0.192 -5.344 1.00 0.00 C ATOM 1045 O ILE A 70 2.030 -1.203 -5.982 1.00 0.00 O ATOM 1046 CB ILE A 70 3.859 1.147 -5.306 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.875 1.851 -4.395 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.252 2.132 -6.300 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.003 2.539 -5.138 1.00 0.00 C ATOM 0 H ILE A 70 4.266 -0.729 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 70 2.280 1.289 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 70 4.376 0.371 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.351 2.589 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.300 1.118 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.046 2.585 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.561 1.605 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.715 2.911 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.676 3.011 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.555 1.804 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.591 3.298 -5.803 1.00 0.00 H new ATOM 1061 N SER A 71 0.513 0.338 -5.356 1.00 0.00 N ATOM 1062 CA SER A 71 -0.589 -0.296 -6.056 1.00 0.00 C ATOM 1063 C SER A 71 -0.406 -0.194 -7.569 1.00 0.00 C ATOM 1064 O SER A 71 -0.688 0.839 -8.175 1.00 0.00 O ATOM 1065 CB SER A 71 -1.917 0.341 -5.624 1.00 0.00 C ATOM 1066 OG SER A 71 -3.026 -0.461 -5.999 1.00 0.00 O ATOM 0 H SER A 71 0.268 1.210 -4.886 1.00 0.00 H new ATOM 0 HA SER A 71 -0.605 -1.354 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.919 0.483 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.012 1.328 -6.076 1.00 0.00 H new ATOM 0 HG SER A 71 -3.856 -0.028 -5.708 1.00 0.00 H new