USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 4 LYS NZ :NH3+ 154:sc= 1.59 (180deg=0.653) USER MOD Set 1.2: A 10 TYR OH : rot 180:sc= -0.0435 USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.839 X(o=1.2,f=1.3) USER MOD Set 2.2: A 6 SER OG : rot -146:sc= 0.998 USER MOD Set 2.3: A 8 SER OG : rot -19:sc= 1.08 USER MOD Single : A 11 THR OG1 : rot -170:sc= -0.187 USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0605) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 1.28 USER MOD Single : A 34 ASN : amide:sc= 0.849 K(o=0.85,f=-7.6!) USER MOD Single : A 35 LYS NZ :NH3+ -105:sc= 0.938 (180deg=-0.172) USER MOD Single : A 44 THR OG1 : rot -156:sc= -1.24! USER MOD Single : A 46 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-7.4!) USER MOD Single : A 50 SER OG : rot 75:sc= 0.266 USER MOD Single : A 54 TYR OH : rot 29:sc= 1.22 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 82:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.13) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.506) USER MOD Single : A 78 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.1) USER MOD Single : A 85 GLN : amide:sc= -1.54! C(o=-1.5!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.763 5.975 -8.661 1.00 0.00 N ATOM 2 CA GLU A 2 12.546 6.767 -8.673 1.00 0.00 C ATOM 3 C GLU A 2 12.214 7.167 -7.254 1.00 0.00 C ATOM 4 O GLU A 2 12.280 6.336 -6.348 1.00 0.00 O ATOM 5 CB GLU A 2 11.421 5.939 -9.275 1.00 0.00 C ATOM 6 CG GLU A 2 10.060 6.591 -9.279 1.00 0.00 C ATOM 7 CD GLU A 2 9.038 5.688 -9.890 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.515 4.801 -9.189 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.768 5.815 -11.092 1.00 0.00 O ATOM 0 HA GLU A 2 12.678 7.667 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.687 5.690 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.352 5.000 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.768 6.839 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.103 7.528 -9.835 1.00 0.00 H new ATOM 16 N LEU A 3 11.855 8.418 -7.053 1.00 0.00 N ATOM 17 CA LEU A 3 11.554 8.921 -5.726 1.00 0.00 C ATOM 18 C LEU A 3 10.283 9.740 -5.702 1.00 0.00 C ATOM 19 O LEU A 3 9.856 10.288 -6.723 1.00 0.00 O ATOM 20 CB LEU A 3 12.717 9.739 -5.146 1.00 0.00 C ATOM 21 CG LEU A 3 13.979 8.963 -4.753 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.066 9.925 -4.305 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.667 7.968 -3.634 1.00 0.00 C ATOM 0 H LEU A 3 11.764 9.110 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 3 11.404 8.043 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.998 10.496 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.354 10.267 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 3 14.332 8.410 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.958 9.363 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.306 10.608 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.715 10.495 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.574 7.425 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.296 8.506 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.909 7.263 -3.975 1.00 0.00 H new ATOM 35 N LYS A 4 9.682 9.782 -4.544 1.00 0.00 N ATOM 36 CA LYS A 4 8.505 10.529 -4.265 1.00 0.00 C ATOM 37 C LYS A 4 8.675 11.222 -2.924 1.00 0.00 C ATOM 38 O LYS A 4 9.623 10.917 -2.188 1.00 0.00 O ATOM 39 CB LYS A 4 7.309 9.575 -4.246 1.00 0.00 C ATOM 40 CG LYS A 4 7.586 8.218 -3.594 1.00 0.00 C ATOM 41 CD LYS A 4 7.789 8.274 -2.089 1.00 0.00 C ATOM 42 CE LYS A 4 7.819 6.886 -1.467 1.00 0.00 C ATOM 43 NZ LYS A 4 8.742 5.947 -2.160 1.00 0.00 N ATOM 0 H LYS A 4 10.025 9.266 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 4 8.332 11.287 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.486 10.056 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.977 9.410 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.754 7.548 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.474 7.783 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.723 8.791 -1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.987 8.857 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.116 6.971 -0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.812 6.469 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.059 5.216 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.246 5.497 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.566 6.471 -2.517 1.00 0.00 H new ATOM 57 N HIS A 5 7.788 12.118 -2.592 1.00 0.00 N ATOM 58 CA HIS A 5 7.871 12.785 -1.311 1.00 0.00 C ATOM 59 C HIS A 5 7.041 12.065 -0.235 1.00 0.00 C ATOM 60 O HIS A 5 7.463 11.984 0.910 1.00 0.00 O ATOM 61 CB HIS A 5 7.516 14.299 -1.407 1.00 0.00 C ATOM 62 CG HIS A 5 6.101 14.604 -1.811 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.657 14.604 -3.106 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.023 14.887 -1.052 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.359 14.866 -3.104 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.915 15.049 -1.875 1.00 0.00 N ATOM 0 H HIS A 5 7.005 12.405 -3.179 1.00 0.00 H new ATOM 0 HA HIS A 5 8.914 12.731 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.708 14.762 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.190 14.768 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.021 14.974 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.745 14.922 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.960 15.264 -1.589 1.00 0.00 H new ATOM 74 N SER A 6 5.886 11.504 -0.604 1.00 0.00 N ATOM 75 CA SER A 6 5.022 10.870 0.388 1.00 0.00 C ATOM 76 C SER A 6 4.063 9.895 -0.279 1.00 0.00 C ATOM 77 O SER A 6 4.128 9.685 -1.494 1.00 0.00 O ATOM 78 CB SER A 6 4.199 11.952 1.096 1.00 0.00 C ATOM 79 OG SER A 6 3.316 12.596 0.177 1.00 0.00 O ATOM 0 H SER A 6 5.535 11.477 -1.561 1.00 0.00 H new ATOM 0 HA SER A 6 5.646 10.329 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.625 11.506 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.866 12.688 1.544 1.00 0.00 H new ATOM 0 HG SER A 6 3.218 13.539 0.424 1.00 0.00 H new ATOM 85 N ILE A 7 3.167 9.325 0.529 1.00 0.00 N ATOM 86 CA ILE A 7 2.081 8.472 0.052 1.00 0.00 C ATOM 87 C ILE A 7 1.112 9.289 -0.813 1.00 0.00 C ATOM 88 O ILE A 7 0.586 8.800 -1.796 1.00 0.00 O ATOM 89 CB ILE A 7 1.286 7.836 1.244 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.090 7.007 0.740 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.822 8.900 2.240 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.709 6.351 1.844 1.00 0.00 C ATOM 0 H ILE A 7 3.176 9.445 1.542 1.00 0.00 H new ATOM 0 HA ILE A 7 2.527 7.671 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 7 1.969 7.165 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.570 7.654 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.455 6.236 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.274 8.423 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.689 9.423 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.172 9.613 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.534 5.786 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.065 5.677 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.106 7.117 2.511 1.00 0.00 H new ATOM 104 N SER A 8 0.942 10.559 -0.467 1.00 0.00 N ATOM 105 CA SER A 8 -0.010 11.408 -1.149 1.00 0.00 C ATOM 106 C SER A 8 0.502 11.834 -2.538 1.00 0.00 C ATOM 107 O SER A 8 -0.228 12.453 -3.318 1.00 0.00 O ATOM 108 CB SER A 8 -0.396 12.600 -0.252 1.00 0.00 C ATOM 109 OG SER A 8 0.740 13.397 0.079 1.00 0.00 O ATOM 0 H SER A 8 1.455 11.019 0.285 1.00 0.00 H new ATOM 0 HA SER A 8 -0.920 10.838 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.137 13.215 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.862 12.232 0.662 1.00 0.00 H new ATOM 0 HG SER A 8 1.558 12.879 -0.071 1.00 0.00 H new ATOM 115 N ASP A 9 1.773 11.508 -2.833 1.00 0.00 N ATOM 116 CA ASP A 9 2.322 11.716 -4.183 1.00 0.00 C ATOM 117 C ASP A 9 1.727 10.679 -5.113 1.00 0.00 C ATOM 118 O ASP A 9 1.482 10.931 -6.283 1.00 0.00 O ATOM 119 CB ASP A 9 3.857 11.582 -4.212 1.00 0.00 C ATOM 120 CG ASP A 9 4.428 11.742 -5.621 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.542 10.744 -6.353 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.789 12.872 -6.012 1.00 0.00 O ATOM 0 H ASP A 9 2.430 11.105 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 9 2.067 12.728 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.297 12.334 -3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.142 10.607 -3.816 1.00 0.00 H new ATOM 127 N TYR A 10 1.465 9.524 -4.557 1.00 0.00 N ATOM 128 CA TYR A 10 0.924 8.422 -5.294 1.00 0.00 C ATOM 129 C TYR A 10 -0.548 8.620 -5.496 1.00 0.00 C ATOM 130 O TYR A 10 -1.236 9.155 -4.627 1.00 0.00 O ATOM 131 CB TYR A 10 1.141 7.098 -4.545 1.00 0.00 C ATOM 132 CG TYR A 10 2.577 6.639 -4.417 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.452 7.238 -3.524 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.052 5.585 -5.186 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.734 6.806 -3.405 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.352 5.146 -5.070 1.00 0.00 C ATOM 137 CZ TYR A 10 5.188 5.760 -4.177 1.00 0.00 C ATOM 138 OH TYR A 10 6.494 5.326 -4.038 1.00 0.00 O ATOM 0 H TYR A 10 1.625 9.325 -3.569 1.00 0.00 H new ATOM 0 HA TYR A 10 1.437 8.378 -6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.721 7.196 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.574 6.318 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.109 8.060 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.390 5.101 -5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.400 7.285 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.708 4.327 -5.677 1.00 0.00 H new ATOM 0 HH TYR A 10 6.658 4.580 -4.652 1.00 0.00 H new ATOM 148 N THR A 11 -1.023 8.237 -6.638 1.00 0.00 N ATOM 149 CA THR A 11 -2.426 8.224 -6.897 1.00 0.00 C ATOM 150 C THR A 11 -2.925 6.868 -6.433 1.00 0.00 C ATOM 151 O THR A 11 -2.109 6.057 -5.966 1.00 0.00 O ATOM 152 CB THR A 11 -2.683 8.353 -8.404 1.00 0.00 C ATOM 153 OG1 THR A 11 -2.038 7.275 -9.099 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.143 9.659 -8.929 1.00 0.00 C ATOM 0 H THR A 11 -0.447 7.924 -7.419 1.00 0.00 H new ATOM 0 HA THR A 11 -2.927 9.047 -6.388 1.00 0.00 H new ATOM 0 HB THR A 11 -3.760 8.318 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.068 7.443 -10.064 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.336 9.729 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.633 10.487 -8.417 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.069 9.707 -8.751 1.00 0.00 H new ATOM 162 N GLU A 12 -4.210 6.581 -6.566 1.00 0.00 N ATOM 163 CA GLU A 12 -4.677 5.247 -6.227 1.00 0.00 C ATOM 164 C GLU A 12 -3.989 4.246 -7.154 1.00 0.00 C ATOM 165 O GLU A 12 -3.583 3.183 -6.731 1.00 0.00 O ATOM 166 CB GLU A 12 -6.194 5.117 -6.352 1.00 0.00 C ATOM 167 CG GLU A 12 -6.708 3.718 -6.009 1.00 0.00 C ATOM 168 CD GLU A 12 -8.164 3.534 -6.314 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.505 3.201 -7.465 1.00 0.00 O ATOM 170 OE2 GLU A 12 -9.001 3.738 -5.422 1.00 0.00 O ATOM 0 H GLU A 12 -4.927 7.228 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.427 5.046 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.670 5.844 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.491 5.367 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.131 2.979 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.538 3.525 -4.950 1.00 0.00 H new ATOM 177 N ALA A 13 -3.789 4.659 -8.401 1.00 0.00 N ATOM 178 CA ALA A 13 -3.154 3.832 -9.396 1.00 0.00 C ATOM 179 C ALA A 13 -1.682 3.592 -9.065 1.00 0.00 C ATOM 180 O ALA A 13 -1.229 2.458 -9.077 1.00 0.00 O ATOM 181 CB ALA A 13 -3.303 4.443 -10.779 1.00 0.00 C ATOM 0 H ALA A 13 -4.067 5.580 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.656 2.864 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.816 3.802 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.361 4.537 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.839 5.429 -10.793 1.00 0.00 H new ATOM 187 N GLU A 14 -0.946 4.646 -8.741 1.00 0.00 N ATOM 188 CA GLU A 14 0.487 4.508 -8.430 1.00 0.00 C ATOM 189 C GLU A 14 0.691 3.775 -7.131 1.00 0.00 C ATOM 190 O GLU A 14 1.628 3.003 -6.983 1.00 0.00 O ATOM 191 CB GLU A 14 1.180 5.860 -8.372 1.00 0.00 C ATOM 192 CG GLU A 14 1.088 6.654 -9.646 1.00 0.00 C ATOM 193 CD GLU A 14 1.644 5.921 -10.835 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.850 6.044 -11.107 1.00 0.00 O ATOM 195 OE2 GLU A 14 0.877 5.218 -11.539 1.00 0.00 O ATOM 0 H GLU A 14 -1.304 5.600 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 14 0.934 3.928 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.746 6.444 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.231 5.707 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.045 6.906 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.625 7.594 -9.522 1.00 0.00 H new ATOM 202 N PHE A 15 -0.190 4.001 -6.201 1.00 0.00 N ATOM 203 CA PHE A 15 -0.126 3.333 -4.936 1.00 0.00 C ATOM 204 C PHE A 15 -0.499 1.884 -5.119 1.00 0.00 C ATOM 205 O PHE A 15 -0.007 1.031 -4.445 1.00 0.00 O ATOM 206 CB PHE A 15 -1.002 4.016 -3.907 1.00 0.00 C ATOM 207 CG PHE A 15 -0.783 3.513 -2.534 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.275 3.976 -1.782 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.630 2.585 -1.992 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.479 3.512 -0.512 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.439 2.119 -0.727 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.383 2.581 0.013 1.00 0.00 C ATOM 0 H PHE A 15 -0.970 4.651 -6.298 1.00 0.00 H new ATOM 0 HA PHE A 15 0.894 3.384 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.810 5.089 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.048 3.874 -4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.948 4.711 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.461 2.217 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.311 3.875 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.117 1.389 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.227 2.211 1.016 1.00 0.00 H new ATOM 222 N LEU A 16 -1.366 1.621 -6.041 1.00 0.00 N ATOM 223 CA LEU A 16 -1.742 0.258 -6.375 1.00 0.00 C ATOM 224 C LEU A 16 -0.564 -0.458 -6.929 1.00 0.00 C ATOM 225 O LEU A 16 -0.420 -1.666 -6.782 1.00 0.00 O ATOM 226 CB LEU A 16 -2.849 0.279 -7.388 1.00 0.00 C ATOM 227 CG LEU A 16 -3.927 -0.676 -7.136 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.245 0.027 -7.202 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.920 -1.809 -8.086 1.00 0.00 C ATOM 0 H LEU A 16 -1.842 2.335 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.086 -0.257 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.272 1.283 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.426 0.077 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.765 -1.090 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.048 -0.686 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.275 0.814 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.374 0.466 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.742 -2.486 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.039 -1.433 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.974 -2.345 -8.006 1.00 0.00 H new ATOM 241 N GLU A 17 0.281 0.278 -7.537 1.00 0.00 N ATOM 242 CA GLU A 17 1.461 -0.285 -8.044 1.00 0.00 C ATOM 243 C GLU A 17 2.422 -0.625 -6.901 1.00 0.00 C ATOM 244 O GLU A 17 3.250 -1.486 -7.069 1.00 0.00 O ATOM 245 CB GLU A 17 2.145 0.586 -9.084 1.00 0.00 C ATOM 246 CG GLU A 17 1.312 0.893 -10.305 1.00 0.00 C ATOM 247 CD GLU A 17 0.916 -0.333 -11.092 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.783 -0.915 -11.785 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.271 -0.707 -11.081 1.00 0.00 O ATOM 0 H GLU A 17 0.174 1.280 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 17 1.173 -1.201 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.436 1.526 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.063 0.092 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.411 1.422 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.870 1.567 -10.955 1.00 0.00 H new ATOM 256 N PHE A 18 2.279 0.058 -5.725 1.00 0.00 N ATOM 257 CA PHE A 18 3.115 -0.245 -4.524 1.00 0.00 C ATOM 258 C PHE A 18 2.985 -1.706 -4.233 1.00 0.00 C ATOM 259 O PHE A 18 3.953 -2.446 -4.215 1.00 0.00 O ATOM 260 CB PHE A 18 2.705 0.628 -3.217 1.00 0.00 C ATOM 261 CG PHE A 18 1.991 -0.105 -1.992 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.602 -0.313 -1.956 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.720 -0.569 -0.898 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.015 -0.960 -0.877 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.096 -1.208 0.172 1.00 0.00 C ATOM 266 CZ PHE A 18 0.735 -1.403 0.178 1.00 0.00 C ATOM 0 H PHE A 18 1.604 0.810 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 18 4.146 0.027 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.612 1.097 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.047 1.430 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.005 0.034 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.791 -0.430 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.085 -1.109 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.688 -1.554 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.261 -1.903 1.010 1.00 0.00 H new ATOM 276 N VAL A 19 1.767 -2.113 -4.114 1.00 0.00 N ATOM 277 CA VAL A 19 1.441 -3.438 -3.718 1.00 0.00 C ATOM 278 C VAL A 19 1.704 -4.450 -4.819 1.00 0.00 C ATOM 279 O VAL A 19 2.186 -5.546 -4.544 1.00 0.00 O ATOM 280 CB VAL A 19 0.004 -3.519 -3.169 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.027 -3.165 -4.201 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.270 -4.844 -2.507 1.00 0.00 C ATOM 0 H VAL A 19 0.955 -1.522 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 19 2.110 -3.707 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.078 -2.759 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.022 -3.238 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.858 -2.146 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.951 -3.853 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.294 -4.859 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.136 -5.647 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.421 -4.985 -1.676 1.00 0.00 H new ATOM 292 N LYS A 20 1.407 -4.083 -6.059 1.00 0.00 N ATOM 293 CA LYS A 20 1.689 -4.965 -7.173 1.00 0.00 C ATOM 294 C LYS A 20 3.200 -5.227 -7.236 1.00 0.00 C ATOM 295 O LYS A 20 3.650 -6.355 -7.420 1.00 0.00 O ATOM 296 CB LYS A 20 1.257 -4.356 -8.486 1.00 0.00 C ATOM 297 CG LYS A 20 -0.226 -4.159 -8.632 1.00 0.00 C ATOM 298 CD LYS A 20 -0.505 -3.617 -9.985 1.00 0.00 C ATOM 299 CE LYS A 20 -1.939 -3.275 -10.227 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.128 -2.668 -11.566 1.00 0.00 N ATOM 0 H LYS A 20 0.977 -3.193 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 20 1.135 -5.891 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.751 -3.391 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.606 -4.993 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.748 -5.105 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.593 -3.474 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.100 -2.723 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.187 -4.348 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.549 -4.174 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.285 -2.583 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.141 -2.503 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.618 -1.763 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.757 -3.311 -12.294 1.00 0.00 H new ATOM 314 N LYS A 21 3.968 -4.146 -7.030 1.00 0.00 N ATOM 315 CA LYS A 21 5.426 -4.163 -7.021 1.00 0.00 C ATOM 316 C LYS A 21 5.928 -5.066 -5.921 1.00 0.00 C ATOM 317 O LYS A 21 6.860 -5.812 -6.115 1.00 0.00 O ATOM 318 CB LYS A 21 5.970 -2.736 -6.823 1.00 0.00 C ATOM 319 CG LYS A 21 7.487 -2.605 -6.819 1.00 0.00 C ATOM 320 CD LYS A 21 7.936 -1.148 -6.670 1.00 0.00 C ATOM 321 CE LYS A 21 7.370 -0.243 -7.774 1.00 0.00 C ATOM 322 NZ LYS A 21 7.699 -0.732 -9.133 1.00 0.00 N ATOM 0 H LYS A 21 3.577 -3.219 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 21 5.779 -4.545 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.570 -2.101 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.587 -2.348 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.900 -3.197 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.889 -3.015 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.619 -0.771 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.025 -1.103 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.287 -0.179 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.763 0.766 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.368 -0.044 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.729 -0.850 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.231 -1.646 -9.296 1.00 0.00 H new ATOM 336 N ILE A 22 5.288 -4.996 -4.780 1.00 0.00 N ATOM 337 CA ILE A 22 5.638 -5.825 -3.646 1.00 0.00 C ATOM 338 C ILE A 22 5.318 -7.289 -3.932 1.00 0.00 C ATOM 339 O ILE A 22 6.124 -8.176 -3.663 1.00 0.00 O ATOM 340 CB ILE A 22 4.910 -5.353 -2.372 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.349 -3.931 -2.030 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.193 -6.289 -1.216 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.677 -3.337 -0.830 1.00 0.00 C ATOM 0 H ILE A 22 4.508 -4.362 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 22 6.711 -5.731 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 22 3.835 -5.361 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.426 -3.929 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.158 -3.290 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.670 -5.938 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.848 -7.292 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.265 -6.312 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.052 -2.327 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.600 -3.301 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.889 -3.950 0.046 1.00 0.00 H new ATOM 355 N CYS A 23 4.169 -7.524 -4.529 1.00 0.00 N ATOM 356 CA CYS A 23 3.723 -8.863 -4.880 1.00 0.00 C ATOM 357 C CYS A 23 4.747 -9.527 -5.828 1.00 0.00 C ATOM 358 O CYS A 23 5.046 -10.714 -5.716 1.00 0.00 O ATOM 359 CB CYS A 23 2.329 -8.777 -5.530 1.00 0.00 C ATOM 360 SG CYS A 23 1.497 -10.356 -5.799 1.00 0.00 S ATOM 0 H CYS A 23 3.511 -6.789 -4.788 1.00 0.00 H new ATOM 0 HA CYS A 23 3.650 -9.480 -3.984 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.693 -8.153 -4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.426 -8.269 -6.490 1.00 0.00 H new ATOM 0 HG CYS A 23 0.337 -10.147 -6.348 1.00 0.00 H new ATOM 366 N ARG A 24 5.332 -8.727 -6.707 1.00 0.00 N ATOM 367 CA ARG A 24 6.335 -9.201 -7.654 1.00 0.00 C ATOM 368 C ARG A 24 7.767 -8.986 -7.135 1.00 0.00 C ATOM 369 O ARG A 24 8.737 -9.226 -7.845 1.00 0.00 O ATOM 370 CB ARG A 24 6.154 -8.520 -8.995 1.00 0.00 C ATOM 371 CG ARG A 24 6.323 -7.048 -8.934 1.00 0.00 C ATOM 372 CD ARG A 24 5.958 -6.402 -10.216 1.00 0.00 C ATOM 373 NE ARG A 24 6.855 -6.761 -11.310 1.00 0.00 N ATOM 374 CZ ARG A 24 6.732 -6.350 -12.577 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.706 -5.585 -12.948 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.643 -6.712 -13.467 1.00 0.00 N ATOM 0 H ARG A 24 5.126 -7.731 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 24 6.190 -10.275 -7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.873 -8.932 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.160 -8.749 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.704 -6.643 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.358 -6.810 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.939 -6.684 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.966 -5.320 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 24 7.639 -7.375 -11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.004 -5.307 -12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.623 -5.278 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.428 -7.298 -13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.560 -6.405 -14.436 1.00 0.00 H new ATOM 390 N ALA A 25 7.891 -8.554 -5.890 1.00 0.00 N ATOM 391 CA ALA A 25 9.189 -8.202 -5.305 1.00 0.00 C ATOM 392 C ALA A 25 9.847 -9.372 -4.593 1.00 0.00 C ATOM 393 O ALA A 25 10.717 -9.167 -3.750 1.00 0.00 O ATOM 394 CB ALA A 25 9.055 -7.033 -4.347 1.00 0.00 C ATOM 0 H ALA A 25 7.103 -8.436 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 25 9.831 -7.917 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.032 -6.793 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.667 -6.167 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.370 -7.299 -3.542 1.00 0.00 H new ATOM 400 N GLU A 26 9.439 -10.591 -4.936 1.00 0.00 N ATOM 401 CA GLU A 26 10.004 -11.800 -4.331 1.00 0.00 C ATOM 402 C GLU A 26 11.533 -11.827 -4.479 1.00 0.00 C ATOM 403 O GLU A 26 12.225 -12.375 -3.625 1.00 0.00 O ATOM 404 CB GLU A 26 9.392 -13.040 -4.956 1.00 0.00 C ATOM 405 CG GLU A 26 7.888 -13.109 -4.816 1.00 0.00 C ATOM 406 CD GLU A 26 7.319 -14.333 -5.462 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.254 -14.379 -6.710 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.902 -15.260 -4.754 1.00 0.00 O ATOM 0 H GLU A 26 8.716 -10.771 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 26 9.766 -11.789 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.652 -13.069 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.832 -13.924 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.622 -13.100 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.441 -12.222 -5.265 1.00 0.00 H new ATOM 415 N GLY A 27 12.021 -11.269 -5.602 1.00 0.00 N ATOM 416 CA GLY A 27 13.444 -11.050 -5.861 1.00 0.00 C ATOM 417 C GLY A 27 14.319 -12.223 -5.532 1.00 0.00 C ATOM 418 O GLY A 27 14.048 -13.355 -5.968 1.00 0.00 O ATOM 0 H GLY A 27 11.421 -10.954 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.575 -10.798 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.778 -10.189 -5.283 1.00 0.00 H new ATOM 422 N ALA A 28 15.360 -11.964 -4.766 1.00 0.00 N ATOM 423 CA ALA A 28 16.247 -13.003 -4.321 1.00 0.00 C ATOM 424 C ALA A 28 15.564 -13.778 -3.215 1.00 0.00 C ATOM 425 O ALA A 28 15.247 -14.966 -3.361 1.00 0.00 O ATOM 426 CB ALA A 28 17.573 -12.419 -3.848 1.00 0.00 C ATOM 0 H ALA A 28 15.608 -11.030 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 28 16.472 -13.676 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.228 -13.225 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.047 -11.881 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.394 -11.733 -3.020 1.00 0.00 H new ATOM 432 N THR A 29 15.289 -13.083 -2.155 1.00 0.00 N ATOM 433 CA THR A 29 14.573 -13.596 -1.035 1.00 0.00 C ATOM 434 C THR A 29 13.538 -12.523 -0.746 1.00 0.00 C ATOM 435 O THR A 29 13.655 -11.413 -1.303 1.00 0.00 O ATOM 436 CB THR A 29 15.500 -13.723 0.201 1.00 0.00 C ATOM 437 OG1 THR A 29 16.856 -13.934 -0.218 1.00 0.00 O ATOM 438 CG2 THR A 29 15.071 -14.893 1.071 1.00 0.00 C ATOM 0 H THR A 29 15.568 -12.108 -2.045 1.00 0.00 H new ATOM 0 HA THR A 29 14.154 -14.582 -1.237 1.00 0.00 H new ATOM 0 HB THR A 29 15.428 -12.798 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.417 -13.200 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.733 -14.967 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.047 -14.737 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.125 -15.815 0.493 1.00 0.00 H new ATOM 446 N GLU A 30 12.581 -12.777 0.130 1.00 0.00 N ATOM 447 CA GLU A 30 11.555 -11.778 0.450 1.00 0.00 C ATOM 448 C GLU A 30 12.105 -10.542 1.207 1.00 0.00 C ATOM 449 O GLU A 30 11.361 -9.698 1.663 1.00 0.00 O ATOM 450 CB GLU A 30 10.368 -12.402 1.168 1.00 0.00 C ATOM 451 CG GLU A 30 10.680 -13.112 2.460 1.00 0.00 C ATOM 452 CD GLU A 30 9.428 -13.623 3.114 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.580 -12.804 3.508 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.276 -14.852 3.272 1.00 0.00 O ATOM 0 H GLU A 30 12.486 -13.659 0.634 1.00 0.00 H new ATOM 0 HA GLU A 30 11.202 -11.399 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.639 -11.618 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.891 -13.112 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.358 -13.943 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.195 -12.431 3.137 1.00 0.00 H new ATOM 461 N GLU A 31 13.411 -10.445 1.287 1.00 0.00 N ATOM 462 CA GLU A 31 14.089 -9.287 1.823 1.00 0.00 C ATOM 463 C GLU A 31 13.889 -8.103 0.847 1.00 0.00 C ATOM 464 O GLU A 31 13.787 -6.944 1.257 1.00 0.00 O ATOM 465 CB GLU A 31 15.582 -9.625 1.996 1.00 0.00 C ATOM 466 CG GLU A 31 16.270 -10.089 0.709 1.00 0.00 C ATOM 467 CD GLU A 31 17.679 -10.572 0.928 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.599 -9.748 0.996 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.891 -11.797 1.035 1.00 0.00 O ATOM 0 H GLU A 31 14.044 -11.182 0.976 1.00 0.00 H new ATOM 0 HA GLU A 31 13.684 -9.007 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.101 -8.745 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.682 -10.405 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.684 -10.891 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.282 -9.266 -0.005 1.00 0.00 H new ATOM 476 N ASP A 32 13.768 -8.443 -0.452 1.00 0.00 N ATOM 477 CA ASP A 32 13.558 -7.458 -1.535 1.00 0.00 C ATOM 478 C ASP A 32 12.159 -6.874 -1.363 1.00 0.00 C ATOM 479 O ASP A 32 11.931 -5.659 -1.497 1.00 0.00 O ATOM 480 CB ASP A 32 13.712 -8.155 -2.924 1.00 0.00 C ATOM 481 CG ASP A 32 13.803 -7.200 -4.126 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.275 -6.076 -4.087 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.466 -7.562 -5.136 1.00 0.00 O ATOM 0 H ASP A 32 13.813 -9.407 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 32 14.298 -6.659 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.608 -8.776 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.864 -8.823 -3.074 1.00 0.00 H new ATOM 488 N ASP A 33 11.272 -7.766 -1.015 1.00 0.00 N ATOM 489 CA ASP A 33 9.877 -7.501 -0.671 1.00 0.00 C ATOM 490 C ASP A 33 9.784 -6.603 0.555 1.00 0.00 C ATOM 491 O ASP A 33 9.258 -5.482 0.483 1.00 0.00 O ATOM 492 CB ASP A 33 9.196 -8.878 -0.425 1.00 0.00 C ATOM 493 CG ASP A 33 7.929 -8.881 0.432 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.824 -8.790 -0.116 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.038 -9.103 1.677 1.00 0.00 O ATOM 0 H ASP A 33 11.504 -8.758 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 33 9.371 -6.972 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.951 -9.313 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.925 -9.538 0.045 1.00 0.00 H new ATOM 500 N ASN A 34 10.362 -7.071 1.642 1.00 0.00 N ATOM 501 CA ASN A 34 10.322 -6.408 2.933 1.00 0.00 C ATOM 502 C ASN A 34 10.826 -4.977 2.886 1.00 0.00 C ATOM 503 O ASN A 34 10.151 -4.079 3.386 1.00 0.00 O ATOM 504 CB ASN A 34 11.110 -7.222 3.937 1.00 0.00 C ATOM 505 CG ASN A 34 11.121 -6.663 5.337 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.177 -6.040 5.784 1.00 0.00 O ATOM 507 ND2 ASN A 34 12.191 -6.873 6.033 1.00 0.00 N ATOM 0 H ASN A 34 10.887 -7.946 1.654 1.00 0.00 H new ATOM 0 HA ASN A 34 9.277 -6.347 3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.699 -8.231 3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.139 -7.307 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.259 -6.512 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.966 -7.399 5.630 1.00 0.00 H new ATOM 514 N LYS A 35 11.984 -4.743 2.250 1.00 0.00 N ATOM 515 CA LYS A 35 12.542 -3.382 2.187 1.00 0.00 C ATOM 516 C LYS A 35 11.563 -2.403 1.528 1.00 0.00 C ATOM 517 O LYS A 35 11.508 -1.224 1.898 1.00 0.00 O ATOM 518 CB LYS A 35 13.924 -3.322 1.496 1.00 0.00 C ATOM 519 CG LYS A 35 13.964 -3.873 0.081 1.00 0.00 C ATOM 520 CD LYS A 35 15.297 -3.588 -0.596 1.00 0.00 C ATOM 521 CE LYS A 35 15.396 -4.264 -1.965 1.00 0.00 C ATOM 522 NZ LYS A 35 14.248 -3.945 -2.854 1.00 0.00 N ATOM 0 H LYS A 35 12.541 -5.458 1.783 1.00 0.00 H new ATOM 0 HA LYS A 35 12.696 -3.075 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.257 -2.284 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.641 -3.874 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.790 -4.949 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.157 -3.432 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.423 -2.512 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.110 -3.937 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.322 -3.955 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.453 -5.344 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.612 -4.766 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.729 -3.129 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.599 -3.717 -3.806 1.00 0.00 H new ATOM 536 N LEU A 36 10.773 -2.899 0.584 1.00 0.00 N ATOM 537 CA LEU A 36 9.762 -2.074 -0.041 1.00 0.00 C ATOM 538 C LEU A 36 8.605 -1.863 0.914 1.00 0.00 C ATOM 539 O LEU A 36 8.215 -0.725 1.172 1.00 0.00 O ATOM 540 CB LEU A 36 9.262 -2.678 -1.357 1.00 0.00 C ATOM 541 CG LEU A 36 10.295 -2.805 -2.473 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.671 -3.445 -3.695 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.862 -1.440 -2.826 1.00 0.00 C ATOM 0 H LEU A 36 10.816 -3.859 0.241 1.00 0.00 H new ATOM 0 HA LEU A 36 10.218 -1.113 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.859 -3.669 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.436 -2.068 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 36 11.109 -3.440 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.419 -3.530 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.302 -4.438 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.843 -2.829 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.597 -1.547 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.056 -0.787 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.340 -1.006 -1.948 1.00 0.00 H new ATOM 555 N VAL A 37 8.100 -2.961 1.477 1.00 0.00 N ATOM 556 CA VAL A 37 6.955 -2.927 2.392 1.00 0.00 C ATOM 557 C VAL A 37 7.169 -1.919 3.520 1.00 0.00 C ATOM 558 O VAL A 37 6.306 -1.092 3.795 1.00 0.00 O ATOM 559 CB VAL A 37 6.656 -4.316 3.029 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.423 -4.207 3.908 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.421 -5.366 1.967 1.00 0.00 C ATOM 0 H VAL A 37 8.471 -3.897 1.313 1.00 0.00 H new ATOM 0 HA VAL A 37 6.103 -2.629 1.781 1.00 0.00 H new ATOM 0 HB VAL A 37 7.520 -4.616 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.209 -5.177 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.601 -3.474 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.572 -3.891 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.215 -6.325 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.570 -5.076 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.309 -5.455 1.341 1.00 0.00 H new ATOM 571 N ARG A 38 8.336 -1.968 4.122 1.00 0.00 N ATOM 572 CA ARG A 38 8.655 -1.129 5.272 1.00 0.00 C ATOM 573 C ARG A 38 8.586 0.372 4.933 1.00 0.00 C ATOM 574 O ARG A 38 8.150 1.168 5.765 1.00 0.00 O ATOM 575 CB ARG A 38 10.047 -1.446 5.813 1.00 0.00 C ATOM 576 CG ARG A 38 10.326 -2.906 6.159 1.00 0.00 C ATOM 577 CD ARG A 38 9.729 -3.394 7.479 1.00 0.00 C ATOM 578 NE ARG A 38 8.250 -3.421 7.549 1.00 0.00 N ATOM 579 CZ ARG A 38 7.518 -4.558 7.681 1.00 0.00 C ATOM 580 NH1 ARG A 38 8.025 -5.737 7.340 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.255 -4.498 8.083 1.00 0.00 N ATOM 0 H ARG A 38 9.094 -2.587 3.835 1.00 0.00 H new ATOM 0 HA ARG A 38 7.904 -1.351 6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.782 -1.124 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.210 -0.846 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.943 -3.532 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.405 -3.054 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.101 -4.400 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.100 -2.756 8.281 1.00 0.00 H new ATOM 0 HE ARG A 38 7.751 -2.533 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.975 -5.797 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.464 -6.583 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.829 -3.595 8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.710 -5.354 8.181 1.00 0.00 H new ATOM 595 N GLU A 39 9.005 0.767 3.720 1.00 0.00 N ATOM 596 CA GLU A 39 8.984 2.189 3.396 1.00 0.00 C ATOM 597 C GLU A 39 7.569 2.634 3.102 1.00 0.00 C ATOM 598 O GLU A 39 7.146 3.721 3.523 1.00 0.00 O ATOM 599 CB GLU A 39 9.921 2.592 2.234 1.00 0.00 C ATOM 600 CG GLU A 39 9.501 2.148 0.839 1.00 0.00 C ATOM 601 CD GLU A 39 10.342 2.798 -0.222 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.454 2.304 -0.502 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.930 3.868 -0.759 1.00 0.00 O ATOM 0 H GLU A 39 9.346 0.150 2.983 1.00 0.00 H new ATOM 0 HA GLU A 39 9.368 2.701 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.016 3.678 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.912 2.186 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.587 1.064 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.452 2.397 0.677 1.00 0.00 H new ATOM 610 N PHE A 40 6.829 1.776 2.414 1.00 0.00 N ATOM 611 CA PHE A 40 5.469 2.070 2.050 1.00 0.00 C ATOM 612 C PHE A 40 4.586 2.133 3.269 1.00 0.00 C ATOM 613 O PHE A 40 3.785 3.052 3.411 1.00 0.00 O ATOM 614 CB PHE A 40 4.934 1.083 1.017 1.00 0.00 C ATOM 615 CG PHE A 40 5.532 1.232 -0.369 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.286 2.367 -1.124 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.305 0.228 -0.924 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.802 2.496 -2.400 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.829 0.352 -2.197 1.00 0.00 C ATOM 620 CZ PHE A 40 6.577 1.485 -2.936 1.00 0.00 C ATOM 0 H PHE A 40 7.161 0.865 2.099 1.00 0.00 H new ATOM 0 HA PHE A 40 5.458 3.054 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.121 0.069 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.853 1.202 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.683 3.162 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.502 -0.667 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.600 3.386 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.436 -0.440 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.984 1.584 -3.932 1.00 0.00 H new ATOM 630 N GLU A 41 4.792 1.206 4.183 1.00 0.00 N ATOM 631 CA GLU A 41 4.047 1.184 5.415 1.00 0.00 C ATOM 632 C GLU A 41 4.333 2.359 6.321 1.00 0.00 C ATOM 633 O GLU A 41 3.530 2.699 7.182 1.00 0.00 O ATOM 634 CB GLU A 41 4.127 -0.169 6.123 1.00 0.00 C ATOM 635 CG GLU A 41 3.128 -1.118 5.511 1.00 0.00 C ATOM 636 CD GLU A 41 1.792 -0.431 5.490 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.222 -0.256 6.583 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.328 -0.009 4.433 1.00 0.00 O ATOM 0 H GLU A 41 5.476 0.455 4.090 1.00 0.00 H new ATOM 0 HA GLU A 41 3.003 1.311 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.134 -0.578 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.924 -0.047 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.432 -1.393 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.074 -2.040 6.089 1.00 0.00 H new ATOM 645 N ARG A 42 5.442 3.014 6.116 1.00 0.00 N ATOM 646 CA ARG A 42 5.739 4.172 6.901 1.00 0.00 C ATOM 647 C ARG A 42 4.986 5.364 6.337 1.00 0.00 C ATOM 648 O ARG A 42 4.579 6.272 7.066 1.00 0.00 O ATOM 649 CB ARG A 42 7.216 4.439 6.904 1.00 0.00 C ATOM 650 CG ARG A 42 7.653 5.353 8.025 1.00 0.00 C ATOM 651 CD ARG A 42 7.229 4.774 9.377 1.00 0.00 C ATOM 652 NE ARG A 42 7.841 5.438 10.518 1.00 0.00 N ATOM 653 CZ ARG A 42 7.287 5.544 11.733 1.00 0.00 C ATOM 654 NH1 ARG A 42 5.989 5.281 11.925 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.024 5.961 12.753 1.00 0.00 N ATOM 0 H ARG A 42 6.145 2.767 5.420 1.00 0.00 H new ATOM 0 HA ARG A 42 5.425 4.000 7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.750 3.492 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.500 4.883 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.735 5.480 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.213 6.341 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.145 4.842 9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.485 3.715 9.405 1.00 0.00 H new ATOM 0 HE ARG A 42 8.762 5.855 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.405 4.995 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.584 5.367 12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.006 6.198 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.609 6.044 13.681 1.00 0.00 H new ATOM 669 N LEU A 43 4.795 5.329 5.038 1.00 0.00 N ATOM 670 CA LEU A 43 4.062 6.367 4.328 1.00 0.00 C ATOM 671 C LEU A 43 2.580 6.288 4.709 1.00 0.00 C ATOM 672 O LEU A 43 1.935 7.297 5.016 1.00 0.00 O ATOM 673 CB LEU A 43 4.164 6.163 2.808 1.00 0.00 C ATOM 674 CG LEU A 43 5.553 6.051 2.184 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.414 5.621 0.741 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.275 7.381 2.240 1.00 0.00 C ATOM 0 H LEU A 43 5.142 4.581 4.438 1.00 0.00 H new ATOM 0 HA LEU A 43 4.489 7.332 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.613 5.257 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.649 6.994 2.326 1.00 0.00 H new ATOM 0 HG LEU A 43 6.131 5.316 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.402 5.539 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.913 4.654 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.826 6.360 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.262 7.278 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.703 8.129 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.380 7.694 3.279 1.00 0.00 H new ATOM 688 N THR A 44 2.065 5.075 4.709 1.00 0.00 N ATOM 689 CA THR A 44 0.659 4.811 4.963 1.00 0.00 C ATOM 690 C THR A 44 0.326 5.037 6.413 1.00 0.00 C ATOM 691 O THR A 44 -0.763 5.569 6.740 1.00 0.00 O ATOM 692 CB THR A 44 0.315 3.347 4.600 1.00 0.00 C ATOM 693 OG1 THR A 44 1.144 2.487 5.348 1.00 0.00 O ATOM 694 CG2 THR A 44 0.558 3.095 3.146 1.00 0.00 C ATOM 0 H THR A 44 2.615 4.235 4.531 1.00 0.00 H new ATOM 0 HA THR A 44 0.076 5.495 4.346 1.00 0.00 H new ATOM 0 HB THR A 44 -0.736 3.166 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.224 1.626 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.310 2.060 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.066 3.762 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.607 3.279 2.915 1.00 0.00 H new ATOM 702 N GLU A 45 1.276 4.628 7.278 1.00 0.00 N ATOM 703 CA GLU A 45 1.147 4.600 8.691 1.00 0.00 C ATOM 704 C GLU A 45 0.005 3.636 9.008 1.00 0.00 C ATOM 705 O GLU A 45 -0.643 3.704 10.060 1.00 0.00 O ATOM 706 CB GLU A 45 0.885 5.990 9.261 1.00 0.00 C ATOM 707 CG GLU A 45 1.306 6.085 10.696 1.00 0.00 C ATOM 708 CD GLU A 45 2.813 6.038 10.883 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.397 4.925 10.927 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.443 7.109 10.997 1.00 0.00 O ATOM 0 H GLU A 45 2.188 4.298 6.962 1.00 0.00 H new ATOM 0 HA GLU A 45 2.074 4.264 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.424 6.733 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.176 6.225 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.923 7.013 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.851 5.268 11.256 1.00 0.00 H new ATOM 717 N HIS A 46 -0.204 2.704 8.092 1.00 0.00 N ATOM 718 CA HIS A 46 -1.289 1.820 8.187 1.00 0.00 C ATOM 719 C HIS A 46 -0.957 0.682 9.169 1.00 0.00 C ATOM 720 O HIS A 46 0.088 0.077 9.102 1.00 0.00 O ATOM 721 CB HIS A 46 -1.743 1.309 6.788 1.00 0.00 C ATOM 722 CG HIS A 46 -3.047 0.604 6.851 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.182 -0.669 7.300 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.293 1.085 6.716 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.470 -0.908 7.473 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.195 0.117 7.118 1.00 0.00 N ATOM 0 H HIS A 46 0.389 2.562 7.274 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.147 2.358 8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.819 2.152 6.101 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.986 0.636 6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.550 2.069 6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.871 -1.833 7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.212 0.189 7.134 1.00 0.00 H new ATOM 734 N PRO A 47 -1.854 0.414 10.097 1.00 0.00 N ATOM 735 CA PRO A 47 -1.670 -0.574 11.159 1.00 0.00 C ATOM 736 C PRO A 47 -1.367 -1.956 10.661 1.00 0.00 C ATOM 737 O PRO A 47 -0.376 -2.574 11.037 1.00 0.00 O ATOM 738 CB PRO A 47 -3.026 -0.605 11.844 1.00 0.00 C ATOM 739 CG PRO A 47 -3.944 0.222 11.037 1.00 0.00 C ATOM 740 CD PRO A 47 -3.124 1.087 10.201 1.00 0.00 C ATOM 0 HA PRO A 47 -0.824 -0.298 11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.395 -1.628 11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.952 -0.217 12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.589 -0.407 10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.595 0.814 11.681 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.576 1.230 9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.011 2.075 10.647 1.00 0.00 H new ATOM 748 N ASP A 48 -2.193 -2.396 9.770 1.00 0.00 N ATOM 749 CA ASP A 48 -2.168 -3.733 9.291 1.00 0.00 C ATOM 750 C ASP A 48 -1.731 -3.723 7.886 1.00 0.00 C ATOM 751 O ASP A 48 -2.002 -4.635 7.157 1.00 0.00 O ATOM 752 CB ASP A 48 -3.554 -4.382 9.382 1.00 0.00 C ATOM 753 CG ASP A 48 -4.038 -4.570 10.790 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.510 -5.463 11.492 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.979 -3.846 11.204 1.00 0.00 O ATOM 0 H ASP A 48 -2.920 -1.820 9.347 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.479 -4.312 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.271 -3.766 8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.526 -5.351 8.884 1.00 0.00 H new ATOM 760 N GLY A 49 -1.044 -2.663 7.519 1.00 0.00 N ATOM 761 CA GLY A 49 -0.552 -2.504 6.128 1.00 0.00 C ATOM 762 C GLY A 49 0.294 -3.629 5.699 1.00 0.00 C ATOM 763 O GLY A 49 0.107 -4.202 4.624 1.00 0.00 O ATOM 0 H GLY A 49 -0.804 -1.893 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.403 -2.415 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.015 -1.576 6.050 1.00 0.00 H new ATOM 767 N SER A 50 1.181 -3.979 6.545 1.00 0.00 N ATOM 768 CA SER A 50 2.028 -5.116 6.323 1.00 0.00 C ATOM 769 C SER A 50 1.174 -6.389 6.208 1.00 0.00 C ATOM 770 O SER A 50 1.321 -7.190 5.293 1.00 0.00 O ATOM 771 CB SER A 50 3.006 -5.214 7.476 1.00 0.00 C ATOM 772 OG SER A 50 2.329 -5.090 8.735 1.00 0.00 O ATOM 0 H SER A 50 1.354 -3.491 7.424 1.00 0.00 H new ATOM 0 HA SER A 50 2.582 -5.005 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.530 -6.169 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.760 -4.432 7.386 1.00 0.00 H new ATOM 0 HG SER A 50 1.845 -5.920 8.929 1.00 0.00 H new ATOM 778 N ASP A 51 0.212 -6.484 7.078 1.00 0.00 N ATOM 779 CA ASP A 51 -0.676 -7.627 7.182 1.00 0.00 C ATOM 780 C ASP A 51 -1.710 -7.675 6.060 1.00 0.00 C ATOM 781 O ASP A 51 -2.496 -8.595 5.989 1.00 0.00 O ATOM 782 CB ASP A 51 -1.345 -7.658 8.549 1.00 0.00 C ATOM 783 CG ASP A 51 -0.371 -7.956 9.665 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.439 -7.069 10.026 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.416 -9.072 10.224 1.00 0.00 O ATOM 0 H ASP A 51 0.010 -5.752 7.759 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.063 -8.521 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.824 -6.697 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.132 -8.412 8.547 1.00 0.00 H new ATOM 790 N LEU A 52 -1.724 -6.649 5.224 1.00 0.00 N ATOM 791 CA LEU A 52 -2.552 -6.618 4.004 1.00 0.00 C ATOM 792 C LEU A 52 -1.803 -7.342 2.921 1.00 0.00 C ATOM 793 O LEU A 52 -2.384 -7.972 2.055 1.00 0.00 O ATOM 794 CB LEU A 52 -2.792 -5.152 3.538 1.00 0.00 C ATOM 795 CG LEU A 52 -3.440 -4.186 4.538 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.554 -2.791 3.942 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.801 -4.678 4.976 1.00 0.00 C ATOM 0 H LEU A 52 -1.165 -5.807 5.362 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.515 -7.085 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.831 -4.733 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.417 -5.181 2.646 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.796 -4.142 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.016 -2.122 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.560 -2.421 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.167 -2.829 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.233 -3.971 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.453 -4.765 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.699 -5.653 5.453 1.00 0.00 H new ATOM 809 N ILE A 53 -0.512 -7.276 3.019 1.00 0.00 N ATOM 810 CA ILE A 53 0.368 -7.817 2.021 1.00 0.00 C ATOM 811 C ILE A 53 0.727 -9.253 2.359 1.00 0.00 C ATOM 812 O ILE A 53 0.669 -10.154 1.512 1.00 0.00 O ATOM 813 CB ILE A 53 1.646 -6.957 1.977 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.279 -5.515 1.603 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.672 -7.535 1.014 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.416 -4.540 1.716 1.00 0.00 C ATOM 0 H ILE A 53 -0.029 -6.839 3.804 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.127 -7.805 1.050 1.00 0.00 H new ATOM 0 HB ILE A 53 2.105 -6.959 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.904 -5.501 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.464 -5.181 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.561 -6.904 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.944 -8.541 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.248 -7.574 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.072 -3.545 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.778 -4.521 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.225 -4.846 1.052 1.00 0.00 H new ATOM 828 N TYR A 54 1.072 -9.455 3.596 1.00 0.00 N ATOM 829 CA TYR A 54 1.521 -10.735 4.074 1.00 0.00 C ATOM 830 C TYR A 54 0.377 -11.696 4.369 1.00 0.00 C ATOM 831 O TYR A 54 0.563 -12.921 4.348 1.00 0.00 O ATOM 832 CB TYR A 54 2.413 -10.543 5.294 1.00 0.00 C ATOM 833 CG TYR A 54 3.731 -9.877 4.969 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.771 -10.593 4.413 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.923 -8.529 5.189 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.960 -9.979 4.096 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.100 -7.911 4.867 1.00 0.00 C ATOM 838 CZ TYR A 54 6.117 -8.637 4.321 1.00 0.00 C ATOM 839 OH TYR A 54 7.301 -8.014 3.986 1.00 0.00 O ATOM 0 H TYR A 54 1.050 -8.729 4.312 1.00 0.00 H new ATOM 0 HA TYR A 54 2.098 -11.200 3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.882 -9.943 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.607 -11.513 5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.650 -11.649 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.125 -7.947 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.769 -10.554 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.223 -6.853 5.044 1.00 0.00 H new ATOM 0 HH TYR A 54 7.715 -8.483 3.232 1.00 0.00 H new ATOM 849 N TYR A 55 -0.795 -11.161 4.622 1.00 0.00 N ATOM 850 CA TYR A 55 -1.940 -11.957 4.937 1.00 0.00 C ATOM 851 C TYR A 55 -3.108 -11.468 4.111 1.00 0.00 C ATOM 852 O TYR A 55 -3.292 -10.269 3.948 1.00 0.00 O ATOM 853 CB TYR A 55 -2.279 -11.886 6.439 1.00 0.00 C ATOM 854 CG TYR A 55 -1.171 -12.375 7.349 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.032 -13.724 7.648 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.264 -11.485 7.904 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.017 -14.165 8.473 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.748 -11.917 8.728 1.00 0.00 C ATOM 859 CZ TYR A 55 0.869 -13.255 9.010 1.00 0.00 C ATOM 860 OH TYR A 55 1.889 -13.689 9.834 1.00 0.00 O ATOM 0 H TYR A 55 -0.973 -10.157 4.613 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.724 -13.000 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.518 -10.854 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.175 -12.477 6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.727 -14.437 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.354 -10.431 7.685 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.083 -15.217 8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.444 -11.208 9.151 1.00 0.00 H new ATOM 0 HH TYR A 55 2.423 -12.921 10.126 1.00 0.00 H new ATOM 870 N PRO A 56 -3.851 -12.371 3.516 1.00 0.00 N ATOM 871 CA PRO A 56 -5.013 -12.020 2.733 1.00 0.00 C ATOM 872 C PRO A 56 -6.154 -11.453 3.579 1.00 0.00 C ATOM 873 O PRO A 56 -6.417 -11.886 4.713 1.00 0.00 O ATOM 874 CB PRO A 56 -5.414 -13.315 2.035 1.00 0.00 C ATOM 875 CG PRO A 56 -4.812 -14.398 2.863 1.00 0.00 C ATOM 876 CD PRO A 56 -3.587 -13.807 3.504 1.00 0.00 C ATOM 0 HA PRO A 56 -4.786 -11.221 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.498 -13.415 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.039 -13.345 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.516 -14.747 3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.552 -15.259 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.438 -14.194 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.687 -14.042 2.936 1.00 0.00 H new ATOM 884 N ARG A 57 -6.824 -10.497 2.998 1.00 0.00 N ATOM 885 CA ARG A 57 -7.879 -9.733 3.641 1.00 0.00 C ATOM 886 C ARG A 57 -9.149 -9.978 2.907 1.00 0.00 C ATOM 887 O ARG A 57 -9.883 -9.037 2.595 1.00 0.00 O ATOM 888 CB ARG A 57 -7.618 -8.278 3.511 1.00 0.00 C ATOM 889 CG ARG A 57 -6.164 -7.870 3.730 1.00 0.00 C ATOM 890 CD ARG A 57 -5.683 -8.272 5.119 1.00 0.00 C ATOM 891 NE ARG A 57 -6.357 -7.545 6.186 1.00 0.00 N ATOM 892 CZ ARG A 57 -5.954 -7.518 7.454 1.00 0.00 C ATOM 893 NH1 ARG A 57 -4.823 -8.121 7.808 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.666 -6.852 8.351 1.00 0.00 N ATOM 0 H ARG A 57 -6.652 -10.212 2.034 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.928 -10.030 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.926 -7.955 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.243 -7.745 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.534 -8.339 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.063 -6.792 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.843 -9.341 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.609 -8.098 5.190 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.197 -7.020 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.262 -8.606 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.516 -8.099 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.516 -6.365 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.364 -6.826 9.325 1.00 0.00 H new ATOM 908 N ASP A 58 -9.380 -11.218 2.600 1.00 0.00 N ATOM 909 CA ASP A 58 -10.570 -11.723 1.844 1.00 0.00 C ATOM 910 C ASP A 58 -11.935 -11.170 2.359 1.00 0.00 C ATOM 911 O ASP A 58 -12.970 -11.321 1.710 1.00 0.00 O ATOM 912 CB ASP A 58 -10.580 -13.258 1.838 1.00 0.00 C ATOM 913 CG ASP A 58 -11.747 -13.846 1.066 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.665 -13.941 -0.181 1.00 0.00 O ATOM 915 OD2 ASP A 58 -12.756 -14.246 1.695 1.00 0.00 O ATOM 0 H ASP A 58 -8.739 -11.966 2.864 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.464 -11.346 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.647 -13.619 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.614 -13.619 2.866 1.00 0.00 H new ATOM 920 N ASP A 59 -11.905 -10.477 3.487 1.00 0.00 N ATOM 921 CA ASP A 59 -13.086 -9.827 4.052 1.00 0.00 C ATOM 922 C ASP A 59 -13.500 -8.680 3.135 1.00 0.00 C ATOM 923 O ASP A 59 -14.631 -8.186 3.186 1.00 0.00 O ATOM 924 CB ASP A 59 -12.806 -9.304 5.465 1.00 0.00 C ATOM 925 CG ASP A 59 -12.448 -10.402 6.435 1.00 0.00 C ATOM 926 OD1 ASP A 59 -11.260 -10.736 6.553 1.00 0.00 O ATOM 927 OD2 ASP A 59 -13.354 -10.964 7.088 1.00 0.00 O ATOM 0 H ASP A 59 -11.059 -10.347 4.042 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.894 -10.555 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.991 -8.581 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.685 -8.774 5.832 1.00 0.00 H new ATOM 932 N ARG A 60 -12.557 -8.243 2.320 1.00 0.00 N ATOM 933 CA ARG A 60 -12.792 -7.309 1.258 1.00 0.00 C ATOM 934 C ARG A 60 -12.127 -7.899 0.012 1.00 0.00 C ATOM 935 O ARG A 60 -11.779 -9.086 0.011 1.00 0.00 O ATOM 936 CB ARG A 60 -12.219 -5.911 1.569 1.00 0.00 C ATOM 937 CG ARG A 60 -10.699 -5.825 1.687 1.00 0.00 C ATOM 938 CD ARG A 60 -10.250 -4.381 1.526 1.00 0.00 C ATOM 939 NE ARG A 60 -10.692 -3.501 2.621 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.506 -2.421 2.502 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.137 -2.151 1.353 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.676 -1.619 3.543 1.00 0.00 N ATOM 0 H ARG A 60 -11.584 -8.542 2.389 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.863 -7.165 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.543 -5.225 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.657 -5.559 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.378 -6.209 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.230 -6.448 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.162 -4.352 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.633 -3.993 0.582 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.355 -3.724 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.011 -2.762 0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.744 -1.334 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.198 -1.816 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.285 -0.805 3.465 1.00 0.00 H new ATOM 956 N GLU A 61 -11.971 -7.122 -1.035 1.00 0.00 N ATOM 957 CA GLU A 61 -11.259 -7.599 -2.202 1.00 0.00 C ATOM 958 C GLU A 61 -9.791 -7.850 -1.839 1.00 0.00 C ATOM 959 O GLU A 61 -9.100 -6.955 -1.345 1.00 0.00 O ATOM 960 CB GLU A 61 -11.359 -6.590 -3.346 1.00 0.00 C ATOM 961 CG GLU A 61 -10.565 -6.974 -4.584 1.00 0.00 C ATOM 962 CD GLU A 61 -10.976 -8.295 -5.175 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.977 -8.345 -5.901 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.281 -9.301 -4.944 1.00 0.00 O ATOM 0 H GLU A 61 -12.322 -6.167 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.712 -8.533 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.407 -6.472 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.012 -5.619 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.683 -6.195 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.506 -7.013 -4.329 1.00 0.00 H new ATOM 971 N ASP A 62 -9.330 -9.046 -2.073 1.00 0.00 N ATOM 972 CA ASP A 62 -7.958 -9.387 -1.763 1.00 0.00 C ATOM 973 C ASP A 62 -7.162 -9.441 -3.034 1.00 0.00 C ATOM 974 O ASP A 62 -6.925 -10.507 -3.622 1.00 0.00 O ATOM 975 CB ASP A 62 -7.813 -10.685 -0.964 1.00 0.00 C ATOM 976 CG ASP A 62 -6.373 -10.924 -0.552 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.931 -10.337 0.453 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.651 -11.703 -1.225 1.00 0.00 O ATOM 0 H ASP A 62 -9.878 -9.805 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.568 -8.605 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.444 -10.640 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.165 -11.524 -1.564 1.00 0.00 H new ATOM 983 N SER A 63 -6.860 -8.284 -3.506 1.00 0.00 N ATOM 984 CA SER A 63 -6.127 -8.078 -4.712 1.00 0.00 C ATOM 985 C SER A 63 -5.332 -6.793 -4.522 1.00 0.00 C ATOM 986 O SER A 63 -5.595 -6.083 -3.539 1.00 0.00 O ATOM 987 CB SER A 63 -7.125 -7.954 -5.888 1.00 0.00 C ATOM 988 OG SER A 63 -7.875 -9.158 -6.055 1.00 0.00 O ATOM 0 H SER A 63 -7.127 -7.415 -3.044 1.00 0.00 H new ATOM 0 HA SER A 63 -5.452 -8.904 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.804 -7.121 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.583 -7.729 -6.807 1.00 0.00 H new ATOM 0 HG SER A 63 -8.624 -9.167 -5.424 1.00 0.00 H new ATOM 994 N PRO A 64 -4.335 -6.486 -5.402 1.00 0.00 N ATOM 995 CA PRO A 64 -3.565 -5.236 -5.338 1.00 0.00 C ATOM 996 C PRO A 64 -4.464 -3.986 -5.070 1.00 0.00 C ATOM 997 O PRO A 64 -4.141 -3.167 -4.216 1.00 0.00 O ATOM 998 CB PRO A 64 -2.845 -5.187 -6.720 1.00 0.00 C ATOM 999 CG PRO A 64 -2.679 -6.614 -7.088 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.833 -7.374 -6.479 1.00 0.00 C ATOM 0 HA PRO A 64 -2.864 -5.215 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.438 -4.650 -7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.884 -4.678 -6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.670 -6.733 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.728 -6.998 -6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.608 -7.579 -7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.509 -8.336 -6.082 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.618 -3.885 -5.741 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.516 -2.765 -5.499 1.00 0.00 C ATOM 1010 C GLU A 65 -7.143 -2.841 -4.121 1.00 0.00 C ATOM 1011 O GLU A 65 -7.208 -1.856 -3.420 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.638 -2.663 -6.525 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.450 -1.394 -6.304 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.673 -1.261 -7.138 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.587 -0.812 -8.284 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.770 -1.534 -6.623 1.00 0.00 O ATOM 0 H GLU A 65 -5.941 -4.553 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.888 -1.878 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.219 -2.663 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.288 -3.535 -6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.741 -1.348 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.807 -0.535 -6.494 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.599 -4.017 -3.754 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.270 -4.211 -2.472 1.00 0.00 C ATOM 1025 C GLY A 66 -7.386 -3.869 -1.290 1.00 0.00 C ATOM 1026 O GLY A 66 -7.849 -3.310 -0.304 1.00 0.00 O ATOM 0 H GLY A 66 -7.521 -4.861 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.168 -3.593 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.594 -5.249 -2.390 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.114 -4.180 -1.407 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.130 -3.841 -0.386 1.00 0.00 C ATOM 1032 C ILE A 67 -5.013 -2.318 -0.259 1.00 0.00 C ATOM 1033 O ILE A 67 -5.042 -1.765 0.848 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.764 -4.493 -0.720 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.887 -6.021 -0.583 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.634 -3.928 0.151 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.665 -6.796 -1.008 1.00 0.00 C ATOM 0 H ILE A 67 -5.726 -4.675 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.457 -4.234 0.577 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.499 -4.252 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.109 -6.261 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.737 -6.357 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.694 -4.411 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.549 -2.854 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.855 -4.117 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.846 -7.863 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.451 -6.592 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.813 -6.495 -0.399 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.939 -1.659 -1.400 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.931 -0.206 -1.467 1.00 0.00 C ATOM 1051 C VAL A 68 -6.222 0.339 -0.898 1.00 0.00 C ATOM 1052 O VAL A 68 -6.225 1.307 -0.160 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.788 0.283 -2.935 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.980 1.793 -3.065 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.454 -0.117 -3.488 1.00 0.00 C ATOM 0 H VAL A 68 -4.883 -2.116 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.080 0.153 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.579 -0.196 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.870 2.085 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.976 2.065 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.231 2.308 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.367 0.232 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.662 0.328 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.361 -1.203 -3.464 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.302 -0.330 -1.222 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.619 0.073 -0.846 1.00 0.00 C ATOM 1067 C LYS A 69 -8.833 0.003 0.659 1.00 0.00 C ATOM 1068 O LYS A 69 -9.622 0.769 1.202 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.648 -0.735 -1.603 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.018 -0.107 -1.590 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.629 -0.103 -2.977 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.875 0.838 -3.944 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.484 0.824 -5.301 1.00 0.00 N ATOM 0 H LYS A 69 -7.280 -1.191 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.742 1.121 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.319 -0.855 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.708 -1.733 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.666 -0.654 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.950 0.915 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.621 -1.116 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.672 0.206 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.887 1.854 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.830 0.534 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.976 1.491 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.419 -0.134 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.483 1.105 -5.236 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.121 -0.887 1.330 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.188 -0.939 2.773 1.00 0.00 C ATOM 1089 C GLU A 70 -7.585 0.346 3.315 1.00 0.00 C ATOM 1090 O GLU A 70 -8.232 1.077 4.046 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.435 -2.151 3.325 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.611 -2.346 4.828 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.050 -2.591 5.206 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.518 -3.744 5.105 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.767 -1.642 5.578 1.00 0.00 O ATOM 0 H GLU A 70 -7.499 -1.573 0.902 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.228 -1.038 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.777 -3.047 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.374 -2.041 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.002 -3.188 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.245 -1.464 5.353 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.367 0.641 2.869 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.660 1.856 3.242 1.00 0.00 C ATOM 1104 C ILE A 71 -6.476 3.104 2.882 1.00 0.00 C ATOM 1105 O ILE A 71 -6.592 4.030 3.671 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.266 1.890 2.564 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.400 0.823 3.206 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.600 3.262 2.706 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.095 0.612 2.542 1.00 0.00 C ATOM 0 H ILE A 71 -5.842 0.038 2.235 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.521 1.856 4.323 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.385 1.699 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.224 1.093 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.948 -0.119 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.625 3.246 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.227 4.021 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.473 3.497 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.542 -0.167 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.258 0.308 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.522 1.539 2.562 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.059 3.073 1.705 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.878 4.110 1.142 1.00 0.00 C ATOM 1123 C LYS A 72 -9.056 4.453 2.060 1.00 0.00 C ATOM 1124 O LYS A 72 -9.168 5.576 2.561 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.420 3.517 -0.140 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.192 4.398 -1.040 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.170 3.577 -1.795 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.891 4.418 -2.778 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.652 5.503 -2.129 1.00 0.00 N ATOM 0 H LYS A 72 -6.965 2.272 1.081 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.305 5.026 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.578 3.118 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.055 2.672 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.709 5.165 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.522 4.914 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.655 2.765 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.880 3.119 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.176 4.847 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.572 3.795 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.452 5.777 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.011 5.174 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.031 6.324 -1.984 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.878 3.458 2.337 1.00 0.00 N ATOM 1144 CA GLU A 73 -11.099 3.666 3.083 1.00 0.00 C ATOM 1145 C GLU A 73 -10.810 3.904 4.555 1.00 0.00 C ATOM 1146 O GLU A 73 -11.512 4.669 5.221 1.00 0.00 O ATOM 1147 CB GLU A 73 -12.056 2.490 2.870 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.429 2.275 1.398 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.134 3.460 0.789 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.471 4.349 0.253 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.382 3.523 0.822 1.00 0.00 O ATOM 0 H GLU A 73 -9.718 2.492 2.053 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.587 4.566 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.597 1.581 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.965 2.660 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.525 2.065 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.069 1.397 1.316 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.763 3.283 5.042 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.337 3.447 6.412 1.00 0.00 C ATOM 1160 C TRP A 74 -8.759 4.854 6.618 1.00 0.00 C ATOM 1161 O TRP A 74 -9.068 5.521 7.616 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.318 2.357 6.762 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.759 2.376 8.150 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.221 1.699 9.236 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.599 3.079 8.581 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.408 1.941 10.313 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.404 2.784 9.930 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.715 3.926 7.940 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.346 3.307 10.652 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.660 4.461 8.635 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.476 4.144 9.987 1.00 0.00 C ATOM 0 H TRP A 74 -9.180 2.647 4.498 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.190 3.342 7.082 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.788 1.387 6.599 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.487 2.431 6.060 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.096 1.066 9.248 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.533 1.554 11.249 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.854 4.166 6.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.207 3.069 11.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.970 5.128 8.139 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.635 4.564 10.519 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.953 5.332 5.669 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.370 6.662 5.786 1.00 0.00 C ATOM 1184 C ARG A 75 -8.404 7.749 5.607 1.00 0.00 C ATOM 1185 O ARG A 75 -8.321 8.795 6.238 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.112 6.842 4.907 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.888 6.171 5.539 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.612 6.328 4.756 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.336 7.712 4.372 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.185 8.371 4.590 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.243 7.884 5.398 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.005 9.534 4.025 1.00 0.00 N ATOM 0 H ARG A 75 -7.694 4.824 4.823 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.009 6.765 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.292 6.417 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.914 7.904 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.739 6.583 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.095 5.108 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.780 5.950 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.667 5.713 3.858 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.082 8.221 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.387 6.990 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.379 8.405 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.732 9.929 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.137 10.047 4.180 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.410 7.475 4.817 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.512 8.403 4.651 1.00 0.00 C ATOM 1208 C ALA A 76 -11.390 8.434 5.903 1.00 0.00 C ATOM 1209 O ALA A 76 -12.003 9.447 6.212 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.349 8.026 3.448 1.00 0.00 C ATOM 0 H ALA A 76 -9.494 6.615 4.275 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.092 9.396 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.171 8.734 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.729 8.050 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.751 7.022 3.584 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.402 7.337 6.649 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.262 7.212 7.813 1.00 0.00 C ATOM 1218 C ALA A 77 -11.604 7.873 8.977 1.00 0.00 C ATOM 1219 O ALA A 77 -12.232 8.577 9.767 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.526 5.751 8.127 1.00 0.00 C ATOM 0 H ALA A 77 -10.822 6.518 6.465 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.217 7.694 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.172 5.678 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.014 5.278 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.582 5.246 8.330 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.316 7.668 9.049 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.490 8.215 10.090 1.00 0.00 C ATOM 1228 C ASN A 78 -9.204 9.688 9.876 1.00 0.00 C ATOM 1229 O ASN A 78 -8.719 10.362 10.777 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.181 7.432 10.195 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.295 6.154 11.007 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -8.051 6.155 12.208 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.664 5.072 10.378 1.00 0.00 N ATOM 0 H ASN A 78 -9.802 7.105 8.372 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.042 8.122 11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.835 7.184 9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.421 8.071 10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.757 4.193 10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.860 5.105 9.377 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.512 10.180 8.692 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.268 11.569 8.381 1.00 0.00 C ATOM 1242 C GLY A 79 -7.797 11.841 8.228 1.00 0.00 C ATOM 1243 O GLY A 79 -7.249 12.782 8.814 1.00 0.00 O ATOM 0 H GLY A 79 -9.930 9.639 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.788 11.835 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.677 12.199 9.171 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.160 10.995 7.471 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.767 11.072 7.198 1.00 0.00 C ATOM 1249 C LYS A 80 -5.627 11.764 5.840 1.00 0.00 C ATOM 1250 O LYS A 80 -6.597 12.305 5.312 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.238 9.636 7.093 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.688 8.709 8.240 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.930 8.944 9.537 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.605 8.210 9.538 1.00 0.00 C ATOM 1255 NZ LYS A 80 -2.697 8.676 10.605 1.00 0.00 N ATOM 0 H LYS A 80 -7.619 10.207 7.014 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.219 11.615 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.567 9.208 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.149 9.663 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.753 8.855 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.555 7.672 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.757 10.012 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.534 8.610 10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.786 7.142 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.120 8.342 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.806 8.141 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.500 9.689 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.145 8.526 11.532 1.00 0.00 H new ATOM 1269 N SER A 81 -4.461 11.745 5.295 1.00 0.00 N ATOM 1270 CA SER A 81 -4.214 12.277 3.981 1.00 0.00 C ATOM 1271 C SER A 81 -4.619 11.209 2.939 1.00 0.00 C ATOM 1272 O SER A 81 -4.784 10.020 3.298 1.00 0.00 O ATOM 1273 CB SER A 81 -2.734 12.618 3.884 1.00 0.00 C ATOM 1274 OG SER A 81 -2.361 13.055 2.593 1.00 0.00 O ATOM 0 H SER A 81 -3.634 11.356 5.748 1.00 0.00 H new ATOM 0 HA SER A 81 -4.795 13.179 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.496 13.396 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.144 11.741 4.151 1.00 0.00 H new ATOM 0 HG SER A 81 -1.403 13.263 2.582 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.695 11.582 1.682 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.188 10.672 0.684 1.00 0.00 C ATOM 1282 C GLY A 82 -4.338 10.680 -0.547 1.00 0.00 C ATOM 1283 O GLY A 82 -3.486 11.569 -0.712 1.00 0.00 O ATOM 0 H GLY A 82 -4.424 12.501 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.220 9.664 1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.211 10.941 0.421 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.562 9.716 -1.411 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.807 9.572 -2.628 1.00 0.00 C ATOM 1289 C PHE A 83 -4.166 10.691 -3.583 1.00 0.00 C ATOM 1290 O PHE A 83 -5.253 11.281 -3.489 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.125 8.241 -3.308 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.136 7.050 -2.404 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -3.000 6.660 -1.734 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.302 6.326 -2.220 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.021 5.567 -0.896 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.329 5.235 -1.384 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.189 4.853 -0.721 1.00 0.00 C ATOM 0 H PHE A 83 -5.282 9.004 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.747 9.607 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.100 8.321 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.393 8.071 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.083 7.216 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.201 6.622 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.123 5.269 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.245 4.679 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.206 3.996 -0.064 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.274 10.976 -4.486 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.469 11.998 -5.484 1.00 0.00 C ATOM 1309 C LYS A 84 -4.604 11.581 -6.424 1.00 0.00 C ATOM 1310 O LYS A 84 -4.691 10.425 -6.824 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.140 12.230 -6.222 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.140 13.297 -7.317 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.704 13.692 -7.697 1.00 0.00 C ATOM 1314 CE LYS A 84 0.086 12.579 -8.406 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.260 12.420 -9.837 1.00 0.00 N ATOM 0 H LYS A 84 -2.375 10.500 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.763 12.943 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.384 12.499 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.829 11.285 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.663 12.921 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.685 14.176 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.739 14.568 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.168 13.985 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.152 12.792 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.093 11.635 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.285 11.632 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.277 12.220 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.032 13.296 -10.349 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.463 12.524 -6.766 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.679 12.272 -7.582 1.00 0.00 C ATOM 1331 C GLN A 85 -6.354 12.109 -9.086 1.00 0.00 C ATOM 1332 O GLN A 85 -7.148 12.465 -9.964 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.730 13.403 -7.362 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.387 14.814 -7.912 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.156 15.467 -7.299 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.244 16.144 -6.286 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.017 15.307 -7.930 1.00 0.00 N ATOM 0 H GLN A 85 -5.353 13.500 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.104 11.326 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.668 13.084 -7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.908 13.493 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.241 14.741 -8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.244 15.468 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.977 14.735 -8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.171 15.755 -7.577 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.244 11.508 -9.355 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.779 11.367 -10.687 1.00 0.00 C ATOM 1348 C GLY A 86 -3.877 12.505 -11.002 1.00 0.00 C ATOM 1349 O GLY A 86 -4.337 13.528 -11.524 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.711 12.447 -10.644 1.00 0.00 O ATOM 0 H GLY A 86 -4.632 11.099 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.249 10.422 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.620 11.349 -11.380 1.00 0.00 H new TER 1354 GLY A 86