USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 41 LYS NZ :NH3+ 165:sc= 0.532 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= 1.18 K(o=1.7,f=-0.68) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.928 K(o=2,f=0.43) USER MOD Set 2.2: A 22 GLN : amide:sc= 1.05 K(o=2,f=0.43) USER MOD Single : A 1 LYS N :NH3+ -130:sc= 0.186 (180deg=-0.387) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0434) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 134:sc= 0.122 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 13:sc= 1.3 USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= 0.753 (180deg=-0.035) USER MOD Single : A 24 SER OG : rot -63:sc= 1.01 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 34 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 38 SER OG : rot 180:sc= 0.427 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00812 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.541 USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.991 (180deg=0.906) USER MOD Single : A 56 ASN : amide:sc= 0.755 K(o=0.76,f=-4.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.78 (180deg=-1.37) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.875 -3.891 -4.749 1.00 0.00 N ATOM 2 CA LYS A 1 -15.885 -3.045 -4.110 1.00 0.00 C ATOM 3 C LYS A 1 -15.779 -1.740 -4.901 1.00 0.00 C ATOM 4 O LYS A 1 -16.441 -1.596 -5.928 1.00 0.00 O ATOM 5 CB LYS A 1 -14.539 -3.781 -4.047 1.00 0.00 C ATOM 6 CG LYS A 1 -14.636 -5.022 -3.153 1.00 0.00 C ATOM 7 CD LYS A 1 -13.270 -5.713 -3.049 1.00 0.00 C ATOM 8 CE LYS A 1 -13.299 -6.871 -2.044 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.254 -7.922 -2.438 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.551 -4.234 -4.037 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.383 -3.344 -5.473 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.402 -4.702 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.179 -2.811 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.233 -4.074 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.771 -3.110 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.983 -4.737 -2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.372 -5.715 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.976 -6.088 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.516 -4.986 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.301 -7.302 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.567 -6.489 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.181 -8.723 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.221 -7.540 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.035 -8.246 -3.402 1.00 0.00 H new ATOM 25 N SER A 2 -14.963 -0.785 -4.444 1.00 0.00 N ATOM 26 CA SER A 2 -14.782 0.484 -5.135 1.00 0.00 C ATOM 27 C SER A 2 -13.450 1.119 -4.719 1.00 0.00 C ATOM 28 O SER A 2 -12.998 0.869 -3.598 1.00 0.00 O ATOM 29 CB SER A 2 -15.956 1.417 -4.810 1.00 0.00 C ATOM 30 OG SER A 2 -16.030 1.639 -3.416 1.00 0.00 O ATOM 0 H SER A 2 -14.414 -0.874 -3.589 1.00 0.00 H new ATOM 0 HA SER A 2 -14.759 0.314 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.831 2.366 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.888 0.978 -5.166 1.00 0.00 H new ATOM 0 HG SER A 2 -16.781 2.237 -3.219 1.00 0.00 H new ATOM 36 N PRO A 3 -12.818 1.939 -5.582 1.00 0.00 N ATOM 37 CA PRO A 3 -11.572 2.627 -5.264 1.00 0.00 C ATOM 38 C PRO A 3 -11.641 3.352 -3.920 1.00 0.00 C ATOM 39 O PRO A 3 -10.669 3.364 -3.174 1.00 0.00 O ATOM 40 CB PRO A 3 -11.334 3.615 -6.409 1.00 0.00 C ATOM 41 CG PRO A 3 -12.037 2.949 -7.588 1.00 0.00 C ATOM 42 CD PRO A 3 -13.248 2.288 -6.930 1.00 0.00 C ATOM 0 HA PRO A 3 -10.753 1.914 -5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.755 4.596 -6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.271 3.760 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.334 3.675 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.396 2.219 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.101 2.967 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.561 1.403 -7.484 1.00 0.00 H new ATOM 50 N GLU A 4 -12.794 3.946 -3.603 1.00 0.00 N ATOM 51 CA GLU A 4 -13.060 4.664 -2.382 1.00 0.00 C ATOM 52 C GLU A 4 -12.720 3.806 -1.161 1.00 0.00 C ATOM 53 O GLU A 4 -12.155 4.287 -0.184 1.00 0.00 O ATOM 54 CB GLU A 4 -14.544 5.044 -2.408 1.00 0.00 C ATOM 55 CG GLU A 4 -15.022 5.738 -3.695 1.00 0.00 C ATOM 56 CD GLU A 4 -14.062 6.824 -4.170 1.00 0.00 C ATOM 57 OE1 GLU A 4 -13.968 7.850 -3.462 1.00 0.00 O ATOM 58 OE2 GLU A 4 -13.429 6.598 -5.224 1.00 0.00 O ATOM 0 H GLU A 4 -13.598 3.931 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.441 5.558 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.136 4.141 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.749 5.701 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.140 4.993 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.004 6.177 -3.522 1.00 0.00 H new ATOM 65 N GLU A 5 -13.048 2.516 -1.221 1.00 0.00 N ATOM 66 CA GLU A 5 -12.755 1.591 -0.142 1.00 0.00 C ATOM 67 C GLU A 5 -11.239 1.419 -0.006 1.00 0.00 C ATOM 68 O GLU A 5 -10.712 1.352 1.100 1.00 0.00 O ATOM 69 CB GLU A 5 -13.549 0.289 -0.353 1.00 0.00 C ATOM 70 CG GLU A 5 -12.689 -0.953 -0.637 1.00 0.00 C ATOM 71 CD GLU A 5 -13.535 -2.205 -0.835 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.671 -2.048 -1.332 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.025 -3.297 -0.505 1.00 0.00 O ATOM 0 H GLU A 5 -13.522 2.090 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.086 1.981 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.152 0.100 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.240 0.432 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.086 -0.779 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.997 -1.111 0.190 1.00 0.00 H new ATOM 80 N LEU A 6 -10.528 1.368 -1.134 1.00 0.00 N ATOM 81 CA LEU A 6 -9.086 1.179 -1.151 1.00 0.00 C ATOM 82 C LEU A 6 -8.423 2.452 -0.634 1.00 0.00 C ATOM 83 O LEU A 6 -7.427 2.398 0.079 1.00 0.00 O ATOM 84 CB LEU A 6 -8.619 0.765 -2.550 1.00 0.00 C ATOM 85 CG LEU A 6 -9.329 -0.508 -3.050 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.804 -0.878 -4.435 1.00 0.00 C ATOM 87 CD2 LEU A 6 -9.130 -1.710 -2.114 1.00 0.00 C ATOM 0 H LEU A 6 -10.942 1.457 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.790 0.364 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.805 1.580 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.542 0.596 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.395 -0.281 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.308 -1.779 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.998 -0.060 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.731 -1.060 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.653 -2.577 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.067 -1.934 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.529 -1.473 -1.128 1.00 0.00 H new ATOM 99 N LYS A 7 -8.996 3.604 -0.974 1.00 0.00 N ATOM 100 CA LYS A 7 -8.566 4.900 -0.488 1.00 0.00 C ATOM 101 C LYS A 7 -8.751 4.924 1.031 1.00 0.00 C ATOM 102 O LYS A 7 -7.854 5.339 1.760 1.00 0.00 O ATOM 103 CB LYS A 7 -9.383 5.988 -1.198 1.00 0.00 C ATOM 104 CG LYS A 7 -9.002 7.426 -0.811 1.00 0.00 C ATOM 105 CD LYS A 7 -7.551 7.782 -1.156 1.00 0.00 C ATOM 106 CE LYS A 7 -7.257 9.246 -0.816 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.862 9.593 -1.132 1.00 0.00 N ATOM 0 H LYS A 7 -9.791 3.657 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.514 5.088 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.262 5.871 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.439 5.834 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.670 8.121 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.157 7.560 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.871 7.132 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.371 7.607 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.932 9.895 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.448 9.422 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.836 10.501 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.316 9.673 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.447 8.851 -1.730 1.00 0.00 H new ATOM 121 N GLY A 8 -9.911 4.461 1.507 1.00 0.00 N ATOM 122 CA GLY A 8 -10.221 4.389 2.924 1.00 0.00 C ATOM 123 C GLY A 8 -9.172 3.537 3.631 1.00 0.00 C ATOM 124 O GLY A 8 -8.568 3.970 4.604 1.00 0.00 O ATOM 0 H GLY A 8 -10.664 4.124 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.242 5.390 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.212 3.959 3.069 1.00 0.00 H new ATOM 128 N ILE A 9 -8.949 2.323 3.128 1.00 0.00 N ATOM 129 CA ILE A 9 -7.965 1.382 3.650 1.00 0.00 C ATOM 130 C ILE A 9 -6.581 2.041 3.686 1.00 0.00 C ATOM 131 O ILE A 9 -5.925 2.075 4.726 1.00 0.00 O ATOM 132 CB ILE A 9 -8.005 0.116 2.776 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.322 -0.656 2.991 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.774 -0.775 2.969 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.273 -1.665 4.143 1.00 0.00 C ATOM 0 H ILE A 9 -9.463 1.960 2.325 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.194 1.095 4.676 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.974 0.440 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.123 0.058 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.577 -1.183 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.856 -1.653 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.876 -0.216 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.713 -1.091 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.237 -2.166 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.496 -2.404 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.051 -1.144 5.074 1.00 0.00 H new ATOM 147 N PHE A 10 -6.136 2.575 2.547 1.00 0.00 N ATOM 148 CA PHE A 10 -4.858 3.260 2.414 1.00 0.00 C ATOM 149 C PHE A 10 -4.729 4.303 3.524 1.00 0.00 C ATOM 150 O PHE A 10 -3.754 4.299 4.268 1.00 0.00 O ATOM 151 CB PHE A 10 -4.774 3.919 1.031 1.00 0.00 C ATOM 152 CG PHE A 10 -3.568 4.812 0.834 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.613 6.130 1.320 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.328 4.263 0.459 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.443 6.712 1.825 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.152 4.989 0.709 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.204 6.139 1.512 1.00 0.00 C ATOM 0 H PHE A 10 -6.667 2.540 1.677 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.038 2.548 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.760 3.138 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.677 4.507 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.538 6.687 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.281 3.294 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.496 7.592 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.213 4.664 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.292 6.580 1.887 1.00 0.00 H new ATOM 167 N GLU A 11 -5.721 5.189 3.632 1.00 0.00 N ATOM 168 CA GLU A 11 -5.747 6.251 4.623 1.00 0.00 C ATOM 169 C GLU A 11 -5.674 5.671 6.039 1.00 0.00 C ATOM 170 O GLU A 11 -4.894 6.145 6.863 1.00 0.00 O ATOM 171 CB GLU A 11 -7.000 7.110 4.406 1.00 0.00 C ATOM 172 CG GLU A 11 -6.941 8.405 5.223 1.00 0.00 C ATOM 173 CD GLU A 11 -8.138 9.299 4.919 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.097 9.960 3.858 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.076 9.295 5.744 1.00 0.00 O ATOM 0 H GLU A 11 -6.538 5.183 3.021 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.873 6.891 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.099 7.350 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.886 6.541 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.921 8.167 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.018 8.939 4.998 1.00 0.00 H new ATOM 182 N LYS A 12 -6.485 4.647 6.319 1.00 0.00 N ATOM 183 CA LYS A 12 -6.543 3.976 7.609 1.00 0.00 C ATOM 184 C LYS A 12 -5.134 3.603 8.059 1.00 0.00 C ATOM 185 O LYS A 12 -4.745 3.925 9.177 1.00 0.00 O ATOM 186 CB LYS A 12 -7.442 2.729 7.539 1.00 0.00 C ATOM 187 CG LYS A 12 -7.769 2.168 8.932 1.00 0.00 C ATOM 188 CD LYS A 12 -8.066 0.662 8.890 1.00 0.00 C ATOM 189 CE LYS A 12 -9.229 0.317 7.954 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.529 -1.125 7.982 1.00 0.00 N ATOM 0 H LYS A 12 -7.133 4.257 5.635 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.978 4.657 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.369 2.980 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.947 1.959 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.931 2.354 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.630 2.696 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.173 0.128 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.298 0.313 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.115 0.881 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.982 0.619 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.321 -1.327 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.690 -1.660 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.788 -1.407 8.949 1.00 0.00 H new ATOM 204 N TYR A 13 -4.366 2.927 7.200 1.00 0.00 N ATOM 205 CA TYR A 13 -3.013 2.547 7.570 1.00 0.00 C ATOM 206 C TYR A 13 -2.101 3.773 7.557 1.00 0.00 C ATOM 207 O TYR A 13 -1.380 3.968 8.529 1.00 0.00 O ATOM 208 CB TYR A 13 -2.502 1.371 6.738 1.00 0.00 C ATOM 209 CG TYR A 13 -3.097 0.046 7.185 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.389 -0.303 6.753 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.390 -0.826 8.038 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.979 -1.504 7.169 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.029 -1.974 8.543 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.316 -2.321 8.100 1.00 0.00 C ATOM 215 OH TYR A 13 -4.894 -3.475 8.537 1.00 0.00 O ATOM 0 H TYR A 13 -4.655 2.640 6.265 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.013 2.174 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.743 1.539 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.416 1.322 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.931 0.360 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.364 -0.614 8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.940 -1.801 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.528 -2.591 9.274 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.659 -3.695 7.965 1.00 0.00 H new ATOM 225 N ALA A 14 -2.118 4.612 6.513 1.00 0.00 N ATOM 226 CA ALA A 14 -1.275 5.805 6.460 1.00 0.00 C ATOM 227 C ALA A 14 -1.359 6.640 7.745 1.00 0.00 C ATOM 228 O ALA A 14 -0.369 7.185 8.223 1.00 0.00 O ATOM 229 CB ALA A 14 -1.675 6.640 5.248 1.00 0.00 C ATOM 0 H ALA A 14 -2.710 4.482 5.693 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.237 5.485 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.052 7.533 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.538 6.052 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.721 6.932 5.337 1.00 0.00 H new ATOM 235 N ALA A 15 -2.552 6.739 8.328 1.00 0.00 N ATOM 236 CA ALA A 15 -2.769 7.503 9.544 1.00 0.00 C ATOM 237 C ALA A 15 -1.867 7.076 10.716 1.00 0.00 C ATOM 238 O ALA A 15 -1.657 7.881 11.619 1.00 0.00 O ATOM 239 CB ALA A 15 -4.245 7.415 9.941 1.00 0.00 C ATOM 0 H ALA A 15 -3.393 6.289 7.966 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.495 8.535 9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.411 7.988 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.862 7.822 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.514 6.373 10.113 1.00 0.00 H new ATOM 245 N LYS A 16 -1.331 5.847 10.741 1.00 0.00 N ATOM 246 CA LYS A 16 -0.501 5.388 11.849 1.00 0.00 C ATOM 247 C LYS A 16 0.778 6.224 11.989 1.00 0.00 C ATOM 248 O LYS A 16 1.112 6.640 13.095 1.00 0.00 O ATOM 249 CB LYS A 16 -0.215 3.884 11.722 1.00 0.00 C ATOM 250 CG LYS A 16 -0.839 3.042 12.842 1.00 0.00 C ATOM 251 CD LYS A 16 -2.374 3.084 12.902 1.00 0.00 C ATOM 252 CE LYS A 16 -3.015 2.657 11.577 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.480 2.576 11.694 1.00 0.00 N ATOM 0 H LYS A 16 -1.462 5.156 10.002 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.057 5.535 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.591 3.531 10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.864 3.727 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.523 2.006 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.443 3.384 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.723 2.429 13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.699 4.094 13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.749 3.369 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.618 1.688 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.920 3.029 10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.770 1.578 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.787 3.063 12.560 1.00 0.00 H new ATOM 267 N GLU A 17 1.498 6.486 10.894 1.00 0.00 N ATOM 268 CA GLU A 17 2.709 7.300 10.959 1.00 0.00 C ATOM 269 C GLU A 17 2.359 8.743 11.314 1.00 0.00 C ATOM 270 O GLU A 17 3.110 9.421 12.007 1.00 0.00 O ATOM 271 CB GLU A 17 3.472 7.247 9.629 1.00 0.00 C ATOM 272 CG GLU A 17 2.728 7.748 8.378 1.00 0.00 C ATOM 273 CD GLU A 17 3.670 7.982 7.204 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.078 6.972 6.593 1.00 0.00 O ATOM 275 OE2 GLU A 17 3.988 9.164 6.950 1.00 0.00 O ATOM 0 H GLU A 17 1.264 6.148 9.961 1.00 0.00 H new ATOM 0 HA GLU A 17 3.353 6.894 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.385 7.833 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.775 6.215 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.969 7.020 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.207 8.676 8.614 1.00 0.00 H new ATOM 282 N GLY A 18 1.208 9.196 10.827 1.00 0.00 N ATOM 283 CA GLY A 18 0.674 10.522 11.075 1.00 0.00 C ATOM 284 C GLY A 18 0.130 11.104 9.781 1.00 0.00 C ATOM 285 O GLY A 18 -1.061 11.373 9.677 1.00 0.00 O ATOM 0 H GLY A 18 0.606 8.629 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.117 10.472 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.453 11.169 11.477 1.00 0.00 H new ATOM 289 N ASP A 19 1.004 11.297 8.789 1.00 0.00 N ATOM 290 CA ASP A 19 0.614 11.841 7.495 1.00 0.00 C ATOM 291 C ASP A 19 -0.400 10.880 6.856 1.00 0.00 C ATOM 292 O ASP A 19 -0.026 9.757 6.527 1.00 0.00 O ATOM 293 CB ASP A 19 1.854 12.025 6.609 1.00 0.00 C ATOM 294 CG ASP A 19 1.531 12.765 5.314 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.517 12.398 4.683 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.306 13.685 4.971 1.00 0.00 O ATOM 0 H ASP A 19 1.998 11.080 8.865 1.00 0.00 H new ATOM 0 HA ASP A 19 0.151 12.821 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.615 12.577 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.278 11.049 6.372 1.00 0.00 H new ATOM 301 N PRO A 20 -1.668 11.279 6.667 1.00 0.00 N ATOM 302 CA PRO A 20 -2.690 10.385 6.146 1.00 0.00 C ATOM 303 C PRO A 20 -2.512 10.055 4.660 1.00 0.00 C ATOM 304 O PRO A 20 -3.248 9.216 4.148 1.00 0.00 O ATOM 305 CB PRO A 20 -4.017 11.108 6.402 1.00 0.00 C ATOM 306 CG PRO A 20 -3.626 12.582 6.334 1.00 0.00 C ATOM 307 CD PRO A 20 -2.235 12.588 6.964 1.00 0.00 C ATOM 0 HA PRO A 20 -2.638 9.415 6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.766 10.854 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.438 10.847 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.608 12.949 5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.324 13.212 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.619 13.386 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.292 12.756 8.039 1.00 0.00 H new ATOM 315 N ASN A 21 -1.572 10.692 3.951 1.00 0.00 N ATOM 316 CA ASN A 21 -1.338 10.461 2.539 1.00 0.00 C ATOM 317 C ASN A 21 -0.175 9.496 2.292 1.00 0.00 C ATOM 318 O ASN A 21 -0.094 8.960 1.189 1.00 0.00 O ATOM 319 CB ASN A 21 -1.109 11.810 1.854 1.00 0.00 C ATOM 320 CG ASN A 21 -0.801 11.636 0.375 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.680 11.384 -0.438 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.458 11.762 -0.004 1.00 0.00 N ATOM 0 H ASN A 21 -0.949 11.390 4.357 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.216 9.979 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.995 12.435 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.284 12.331 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.709 11.649 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.180 11.972 0.686 1.00 0.00 H new ATOM 329 N GLN A 22 0.715 9.254 3.270 1.00 0.00 N ATOM 330 CA GLN A 22 1.856 8.355 3.086 1.00 0.00 C ATOM 331 C GLN A 22 1.783 7.079 3.927 1.00 0.00 C ATOM 332 O GLN A 22 1.427 7.115 5.098 1.00 0.00 O ATOM 333 CB GLN A 22 3.201 9.021 3.408 1.00 0.00 C ATOM 334 CG GLN A 22 3.816 9.867 2.287 1.00 0.00 C ATOM 335 CD GLN A 22 3.420 11.315 2.502 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.617 11.883 1.774 1.00 0.00 O ATOM 337 NE2 GLN A 22 3.973 11.932 3.533 1.00 0.00 N ATOM 0 H GLN A 22 0.661 9.673 4.198 1.00 0.00 H new ATOM 0 HA GLN A 22 1.797 8.099 2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.069 9.655 4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.913 8.243 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.901 9.767 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.466 9.519 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.640 11.437 4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.733 12.902 3.736 1.00 0.00 H new ATOM 346 N LEU A 23 2.172 5.964 3.308 1.00 0.00 N ATOM 347 CA LEU A 23 2.313 4.649 3.916 1.00 0.00 C ATOM 348 C LEU A 23 3.795 4.392 4.173 1.00 0.00 C ATOM 349 O LEU A 23 4.544 4.239 3.212 1.00 0.00 O ATOM 350 CB LEU A 23 1.832 3.576 2.936 1.00 0.00 C ATOM 351 CG LEU A 23 0.358 3.220 3.058 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.040 2.239 1.921 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.005 2.561 4.392 1.00 0.00 C ATOM 0 H LEU A 23 2.409 5.958 2.316 1.00 0.00 H new ATOM 0 HA LEU A 23 1.732 4.614 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.026 3.918 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.424 2.673 3.087 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.221 4.142 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.011 1.955 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.244 2.715 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.661 1.349 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.071 2.335 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.563 1.638 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.234 3.240 5.210 1.00 0.00 H new ATOM 365 N SER A 24 4.257 4.318 5.418 1.00 0.00 N ATOM 366 CA SER A 24 5.663 4.029 5.682 1.00 0.00 C ATOM 367 C SER A 24 5.985 2.607 5.223 1.00 0.00 C ATOM 368 O SER A 24 5.090 1.773 5.130 1.00 0.00 O ATOM 369 CB SER A 24 5.997 4.230 7.169 1.00 0.00 C ATOM 370 OG SER A 24 4.872 4.703 7.875 1.00 0.00 O ATOM 0 H SER A 24 3.685 4.453 6.252 1.00 0.00 H new ATOM 0 HA SER A 24 6.283 4.726 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.334 3.288 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.819 4.938 7.269 1.00 0.00 H new ATOM 0 HG SER A 24 4.612 5.581 7.525 1.00 0.00 H new ATOM 376 N LYS A 25 7.255 2.305 4.953 1.00 0.00 N ATOM 377 CA LYS A 25 7.664 0.964 4.549 1.00 0.00 C ATOM 378 C LYS A 25 7.108 -0.082 5.519 1.00 0.00 C ATOM 379 O LYS A 25 6.385 -1.000 5.139 1.00 0.00 O ATOM 380 CB LYS A 25 9.193 0.937 4.358 1.00 0.00 C ATOM 381 CG LYS A 25 9.876 -0.376 4.760 1.00 0.00 C ATOM 382 CD LYS A 25 11.301 -0.486 4.202 1.00 0.00 C ATOM 383 CE LYS A 25 12.225 0.629 4.704 1.00 0.00 C ATOM 384 NZ LYS A 25 13.609 0.416 4.246 1.00 0.00 N ATOM 0 H LYS A 25 8.021 2.977 5.008 1.00 0.00 H new ATOM 0 HA LYS A 25 7.236 0.696 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.416 1.139 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.631 1.749 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.907 -0.449 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.282 -1.217 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.721 -1.452 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.263 -0.457 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.864 1.593 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.200 0.664 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.214 1.185 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.958 -0.494 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.633 0.407 3.206 1.00 0.00 H new ATOM 398 N GLU A 26 7.436 0.082 6.794 1.00 0.00 N ATOM 399 CA GLU A 26 6.932 -0.795 7.845 1.00 0.00 C ATOM 400 C GLU A 26 5.393 -0.764 7.917 1.00 0.00 C ATOM 401 O GLU A 26 4.766 -1.749 8.287 1.00 0.00 O ATOM 402 CB GLU A 26 7.585 -0.426 9.186 1.00 0.00 C ATOM 403 CG GLU A 26 7.217 -1.397 10.321 1.00 0.00 C ATOM 404 CD GLU A 26 7.558 -2.851 9.992 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.724 -3.086 9.608 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.646 -3.697 10.120 1.00 0.00 O ATOM 0 H GLU A 26 8.054 0.821 7.128 1.00 0.00 H new ATOM 0 HA GLU A 26 7.204 -1.823 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.668 -0.411 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.282 0.583 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.742 -1.102 11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.150 -1.317 10.529 1.00 0.00 H new ATOM 413 N GLU A 27 4.760 0.355 7.562 1.00 0.00 N ATOM 414 CA GLU A 27 3.311 0.491 7.600 1.00 0.00 C ATOM 415 C GLU A 27 2.680 -0.346 6.479 1.00 0.00 C ATOM 416 O GLU A 27 1.648 -0.989 6.672 1.00 0.00 O ATOM 417 CB GLU A 27 2.976 1.982 7.509 1.00 0.00 C ATOM 418 CG GLU A 27 1.597 2.401 8.006 1.00 0.00 C ATOM 419 CD GLU A 27 1.599 3.922 8.135 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.011 4.572 7.153 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.272 4.410 9.233 1.00 0.00 O ATOM 0 H GLU A 27 5.244 1.193 7.239 1.00 0.00 H new ATOM 0 HA GLU A 27 2.894 0.108 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.725 2.535 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.072 2.290 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.824 2.076 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.378 1.935 8.967 1.00 0.00 H new ATOM 428 N LEU A 28 3.311 -0.356 5.299 1.00 0.00 N ATOM 429 CA LEU A 28 2.851 -1.147 4.171 1.00 0.00 C ATOM 430 C LEU A 28 2.773 -2.617 4.583 1.00 0.00 C ATOM 431 O LEU A 28 1.811 -3.299 4.241 1.00 0.00 O ATOM 432 CB LEU A 28 3.825 -0.969 2.999 1.00 0.00 C ATOM 433 CG LEU A 28 3.395 -1.713 1.726 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.170 -1.057 1.079 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.562 -1.754 0.736 1.00 0.00 C ATOM 0 H LEU A 28 4.153 0.186 5.108 1.00 0.00 H new ATOM 0 HA LEU A 28 1.860 -0.816 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.920 0.093 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.812 -1.321 3.300 1.00 0.00 H new ATOM 0 HG LEU A 28 3.116 -2.730 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.893 -1.609 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.337 -1.068 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.407 -0.027 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.255 -2.282 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.857 -0.737 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.406 -2.272 1.190 1.00 0.00 H new ATOM 447 N LYS A 29 3.780 -3.105 5.319 1.00 0.00 N ATOM 448 CA LYS A 29 3.823 -4.487 5.774 1.00 0.00 C ATOM 449 C LYS A 29 2.486 -4.852 6.413 1.00 0.00 C ATOM 450 O LYS A 29 1.743 -5.644 5.841 1.00 0.00 O ATOM 451 CB LYS A 29 5.018 -4.715 6.713 1.00 0.00 C ATOM 452 CG LYS A 29 4.959 -6.021 7.516 1.00 0.00 C ATOM 453 CD LYS A 29 4.834 -7.281 6.649 1.00 0.00 C ATOM 454 CE LYS A 29 6.116 -7.585 5.869 1.00 0.00 C ATOM 455 NZ LYS A 29 6.000 -8.843 5.113 1.00 0.00 N ATOM 0 H LYS A 29 4.583 -2.548 5.612 1.00 0.00 H new ATOM 0 HA LYS A 29 3.975 -5.153 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.934 -4.708 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.081 -3.878 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.858 -6.101 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.111 -5.977 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.588 -8.132 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.008 -7.156 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.329 -6.765 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.957 -7.650 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.885 -9.020 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.821 -9.628 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.213 -8.771 4.437 1.00 0.00 H new ATOM 469 N LEU A 30 2.182 -4.277 7.583 1.00 0.00 N ATOM 470 CA LEU A 30 0.937 -4.520 8.301 1.00 0.00 C ATOM 471 C LEU A 30 -0.273 -4.413 7.369 1.00 0.00 C ATOM 472 O LEU A 30 -1.155 -5.269 7.403 1.00 0.00 O ATOM 473 CB LEU A 30 0.751 -3.612 9.532 1.00 0.00 C ATOM 474 CG LEU A 30 1.771 -2.491 9.781 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.140 -1.402 10.657 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.010 -3.029 10.500 1.00 0.00 C ATOM 0 H LEU A 30 2.804 -3.623 8.058 1.00 0.00 H new ATOM 0 HA LEU A 30 1.007 -5.541 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.234 -3.152 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.739 -4.251 10.415 1.00 0.00 H new ATOM 0 HG LEU A 30 2.064 -2.082 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.867 -0.609 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.267 -0.989 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.837 -1.833 11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.717 -2.216 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.717 -3.455 11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.479 -3.800 9.889 1.00 0.00 H new ATOM 488 N LEU A 31 -0.319 -3.367 6.542 1.00 0.00 N ATOM 489 CA LEU A 31 -1.416 -3.152 5.609 1.00 0.00 C ATOM 490 C LEU A 31 -1.680 -4.383 4.749 1.00 0.00 C ATOM 491 O LEU A 31 -2.793 -4.899 4.687 1.00 0.00 O ATOM 492 CB LEU A 31 -1.076 -1.972 4.685 1.00 0.00 C ATOM 493 CG LEU A 31 -2.275 -1.281 4.015 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.774 -0.435 2.853 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.384 -2.190 3.494 1.00 0.00 C ATOM 0 H LEU A 31 0.404 -2.649 6.503 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.311 -2.943 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.528 -1.228 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.403 -2.328 3.905 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.731 -0.697 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.618 0.059 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.077 0.317 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.267 -1.074 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.171 -1.584 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.976 -2.869 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.799 -2.768 4.320 1.00 0.00 H new ATOM 507 N LEU A 32 -0.639 -4.849 4.068 1.00 0.00 N ATOM 508 CA LEU A 32 -0.782 -5.903 3.080 1.00 0.00 C ATOM 509 C LEU A 32 -1.018 -7.213 3.801 1.00 0.00 C ATOM 510 O LEU A 32 -1.902 -7.990 3.451 1.00 0.00 O ATOM 511 CB LEU A 32 0.448 -5.948 2.168 1.00 0.00 C ATOM 512 CG LEU A 32 0.712 -4.649 1.387 1.00 0.00 C ATOM 513 CD1 LEU A 32 1.957 -4.847 0.520 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.465 -4.246 0.496 1.00 0.00 C ATOM 0 H LEU A 32 0.316 -4.509 4.185 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.639 -5.709 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.325 -6.178 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.328 -6.766 1.458 1.00 0.00 H new ATOM 0 HG LEU A 32 0.855 -3.847 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.159 -3.934 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.811 -5.078 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.790 -5.670 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.223 -3.323 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.661 -5.037 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.351 -4.091 1.112 1.00 0.00 H new ATOM 526 N GLN A 33 -0.217 -7.414 4.838 1.00 0.00 N ATOM 527 CA GLN A 33 -0.245 -8.552 5.727 1.00 0.00 C ATOM 528 C GLN A 33 -1.671 -8.800 6.222 1.00 0.00 C ATOM 529 O GLN A 33 -2.156 -9.925 6.182 1.00 0.00 O ATOM 530 CB GLN A 33 0.711 -8.195 6.862 1.00 0.00 C ATOM 531 CG GLN A 33 0.583 -9.030 8.120 1.00 0.00 C ATOM 532 CD GLN A 33 0.847 -10.515 7.895 1.00 0.00 C ATOM 533 OE1 GLN A 33 0.081 -11.371 8.309 1.00 0.00 O ATOM 534 NE2 GLN A 33 1.945 -10.851 7.237 1.00 0.00 N ATOM 0 H GLN A 33 0.510 -6.744 5.090 1.00 0.00 H new ATOM 0 HA GLN A 33 0.063 -9.477 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.733 -8.283 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.557 -7.149 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.281 -8.654 8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.420 -8.905 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.577 -10.127 6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.159 -11.834 7.071 1.00 0.00 H new ATOM 543 N THR A 34 -2.329 -7.746 6.706 1.00 0.00 N ATOM 544 CA THR A 34 -3.667 -7.834 7.265 1.00 0.00 C ATOM 545 C THR A 34 -4.764 -7.841 6.198 1.00 0.00 C ATOM 546 O THR A 34 -5.634 -8.707 6.218 1.00 0.00 O ATOM 547 CB THR A 34 -3.872 -6.682 8.262 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.774 -6.621 9.152 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.150 -6.856 9.088 1.00 0.00 C ATOM 0 H THR A 34 -1.941 -6.803 6.719 1.00 0.00 H new ATOM 0 HA THR A 34 -3.751 -8.791 7.780 1.00 0.00 H new ATOM 0 HB THR A 34 -3.956 -5.764 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.028 -6.154 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.254 -6.019 9.779 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.012 -6.886 8.422 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.095 -7.787 9.652 1.00 0.00 H new ATOM 557 N GLU A 35 -4.758 -6.871 5.280 1.00 0.00 N ATOM 558 CA GLU A 35 -5.832 -6.729 4.307 1.00 0.00 C ATOM 559 C GLU A 35 -5.777 -7.719 3.145 1.00 0.00 C ATOM 560 O GLU A 35 -6.831 -8.114 2.651 1.00 0.00 O ATOM 561 CB GLU A 35 -5.902 -5.285 3.794 1.00 0.00 C ATOM 562 CG GLU A 35 -6.027 -4.249 4.925 1.00 0.00 C ATOM 563 CD GLU A 35 -7.225 -4.465 5.843 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.311 -4.784 5.313 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.034 -4.278 7.066 1.00 0.00 O ATOM 0 H GLU A 35 -4.018 -6.174 5.194 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.748 -6.975 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.008 -5.070 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.754 -5.185 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.117 -4.270 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.096 -3.254 4.485 1.00 0.00 H new ATOM 572 N PHE A 36 -4.592 -8.121 2.678 1.00 0.00 N ATOM 573 CA PHE A 36 -4.521 -9.026 1.536 1.00 0.00 C ATOM 574 C PHE A 36 -3.203 -9.821 1.507 1.00 0.00 C ATOM 575 O PHE A 36 -2.370 -9.590 0.632 1.00 0.00 O ATOM 576 CB PHE A 36 -4.790 -8.261 0.221 1.00 0.00 C ATOM 577 CG PHE A 36 -4.995 -6.760 0.233 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.865 -5.924 0.208 1.00 0.00 C ATOM 579 CD2 PHE A 36 -6.242 -6.249 -0.172 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.973 -4.607 -0.271 1.00 0.00 C ATOM 581 CE2 PHE A 36 -6.331 -4.964 -0.729 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.202 -4.129 -0.754 1.00 0.00 C ATOM 0 H PHE A 36 -3.691 -7.841 3.064 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.309 -9.771 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.954 -8.466 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.677 -8.703 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.913 -6.294 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.133 -6.847 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.108 -3.960 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.268 -4.617 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.279 -3.124 -1.143 1.00 0.00 H new ATOM 592 N PRO A 37 -2.996 -10.774 2.431 1.00 0.00 N ATOM 593 CA PRO A 37 -1.771 -11.565 2.503 1.00 0.00 C ATOM 594 C PRO A 37 -1.419 -12.281 1.191 1.00 0.00 C ATOM 595 O PRO A 37 -0.245 -12.452 0.881 1.00 0.00 O ATOM 596 CB PRO A 37 -1.952 -12.527 3.682 1.00 0.00 C ATOM 597 CG PRO A 37 -3.462 -12.556 3.919 1.00 0.00 C ATOM 598 CD PRO A 37 -3.912 -11.160 3.493 1.00 0.00 C ATOM 0 HA PRO A 37 -0.912 -10.913 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.567 -13.520 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.417 -12.178 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.947 -13.333 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.701 -12.754 4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.943 -11.169 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.866 -10.460 4.327 1.00 0.00 H new ATOM 606 N SER A 38 -2.421 -12.700 0.415 1.00 0.00 N ATOM 607 CA SER A 38 -2.255 -13.360 -0.873 1.00 0.00 C ATOM 608 C SER A 38 -2.281 -12.314 -1.995 1.00 0.00 C ATOM 609 O SER A 38 -1.310 -12.100 -2.719 1.00 0.00 O ATOM 610 CB SER A 38 -3.408 -14.362 -0.994 1.00 0.00 C ATOM 611 OG SER A 38 -4.636 -13.693 -0.731 1.00 0.00 O ATOM 0 H SER A 38 -3.400 -12.584 0.678 1.00 0.00 H new ATOM 0 HA SER A 38 -1.300 -13.880 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.424 -14.798 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.269 -15.182 -0.290 1.00 0.00 H new ATOM 0 HG SER A 38 -5.378 -14.329 -0.809 1.00 0.00 H new ATOM 617 N LEU A 39 -3.434 -11.658 -2.111 1.00 0.00 N ATOM 618 CA LEU A 39 -3.810 -10.601 -3.030 1.00 0.00 C ATOM 619 C LEU A 39 -2.729 -9.531 -3.198 1.00 0.00 C ATOM 620 O LEU A 39 -2.646 -8.916 -4.256 1.00 0.00 O ATOM 621 CB LEU A 39 -5.113 -10.022 -2.476 1.00 0.00 C ATOM 622 CG LEU A 39 -6.366 -10.687 -3.065 1.00 0.00 C ATOM 623 CD1 LEU A 39 -7.574 -10.375 -2.175 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.648 -10.183 -4.486 1.00 0.00 C ATOM 0 H LEU A 39 -4.210 -11.885 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.939 -10.998 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.123 -10.137 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.145 -8.952 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.192 -11.762 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.464 -10.846 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.396 -10.760 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.723 -9.296 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.541 -10.672 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.805 -9.105 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.799 -10.413 -5.129 1.00 0.00 H new ATOM 636 N LEU A 40 -1.886 -9.312 -2.185 1.00 0.00 N ATOM 637 CA LEU A 40 -0.785 -8.355 -2.290 1.00 0.00 C ATOM 638 C LEU A 40 0.175 -8.692 -3.438 1.00 0.00 C ATOM 639 O LEU A 40 0.903 -7.810 -3.886 1.00 0.00 O ATOM 640 CB LEU A 40 -0.031 -8.229 -0.955 1.00 0.00 C ATOM 641 CG LEU A 40 0.627 -9.513 -0.403 1.00 0.00 C ATOM 642 CD1 LEU A 40 1.956 -9.878 -1.078 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.929 -9.336 1.090 1.00 0.00 C ATOM 0 H LEU A 40 -1.946 -9.785 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.229 -7.387 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.745 -7.473 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.728 -7.855 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.089 -10.310 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.352 -10.791 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.791 -10.036 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.670 -9.067 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.393 -10.243 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.608 -8.494 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.001 -9.145 1.629 1.00 0.00 H new ATOM 655 N LYS A 41 0.175 -9.940 -3.925 1.00 0.00 N ATOM 656 CA LYS A 41 0.941 -10.504 -5.035 1.00 0.00 C ATOM 657 C LYS A 41 2.460 -10.245 -5.101 1.00 0.00 C ATOM 658 O LYS A 41 3.136 -10.883 -5.906 1.00 0.00 O ATOM 659 CB LYS A 41 0.213 -10.085 -6.313 1.00 0.00 C ATOM 660 CG LYS A 41 -1.097 -10.864 -6.503 1.00 0.00 C ATOM 661 CD LYS A 41 -0.874 -12.170 -7.275 1.00 0.00 C ATOM 662 CE LYS A 41 -2.186 -12.960 -7.363 1.00 0.00 C ATOM 663 NZ LYS A 41 -2.158 -13.931 -8.470 1.00 0.00 N ATOM 0 H LYS A 41 -0.425 -10.650 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 41 0.961 -11.583 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.001 -9.017 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.863 -10.250 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.532 -11.087 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.815 -10.243 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.504 -11.951 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.112 -12.770 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.361 -13.483 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.018 -12.270 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.934 -14.614 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.272 -13.430 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.249 -14.436 -8.466 1.00 0.00 H new ATOM 677 N GLY A 42 3.037 -9.356 -4.289 1.00 0.00 N ATOM 678 CA GLY A 42 4.468 -9.099 -4.249 1.00 0.00 C ATOM 679 C GLY A 42 5.186 -10.277 -3.590 1.00 0.00 C ATOM 680 O GLY A 42 5.664 -10.178 -2.462 1.00 0.00 O ATOM 0 H GLY A 42 2.507 -8.786 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.848 -8.948 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.667 -8.183 -3.693 1.00 0.00 H new ATOM 684 N GLY A 43 5.273 -11.398 -4.304 1.00 0.00 N ATOM 685 CA GLY A 43 5.893 -12.636 -3.860 1.00 0.00 C ATOM 686 C GLY A 43 7.388 -12.470 -4.048 1.00 0.00 C ATOM 687 O GLY A 43 8.001 -13.117 -4.890 1.00 0.00 O ATOM 0 H GLY A 43 4.895 -11.467 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.655 -12.834 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.522 -13.483 -4.438 1.00 0.00 H new ATOM 691 N SER A 44 7.952 -11.549 -3.274 1.00 0.00 N ATOM 692 CA SER A 44 9.340 -11.162 -3.356 1.00 0.00 C ATOM 693 C SER A 44 9.819 -10.854 -1.935 1.00 0.00 C ATOM 694 O SER A 44 9.932 -11.773 -1.128 1.00 0.00 O ATOM 695 CB SER A 44 9.345 -9.979 -4.335 1.00 0.00 C ATOM 696 OG SER A 44 10.628 -9.399 -4.449 1.00 0.00 O ATOM 0 H SER A 44 7.435 -11.042 -2.555 1.00 0.00 H new ATOM 0 HA SER A 44 10.033 -11.917 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.010 -10.317 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.634 -9.225 -3.998 1.00 0.00 H new ATOM 0 HG SER A 44 10.594 -8.651 -5.081 1.00 0.00 H new ATOM 702 N THR A 45 10.073 -9.589 -1.600 1.00 0.00 N ATOM 703 CA THR A 45 10.467 -9.168 -0.265 1.00 0.00 C ATOM 704 C THR A 45 9.798 -7.832 0.020 1.00 0.00 C ATOM 705 O THR A 45 9.449 -7.106 -0.913 1.00 0.00 O ATOM 706 CB THR A 45 11.997 -9.047 -0.120 1.00 0.00 C ATOM 707 OG1 THR A 45 12.481 -7.870 -0.739 1.00 0.00 O ATOM 708 CG2 THR A 45 12.752 -10.258 -0.678 1.00 0.00 C ATOM 0 H THR A 45 10.008 -8.818 -2.264 1.00 0.00 H new ATOM 0 HA THR A 45 10.149 -9.922 0.455 1.00 0.00 H new ATOM 0 HB THR A 45 12.186 -9.003 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.454 -7.819 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.824 -10.111 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.441 -11.157 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.529 -10.368 -1.739 1.00 0.00 H new ATOM 716 N LEU A 46 9.629 -7.498 1.303 1.00 0.00 N ATOM 717 CA LEU A 46 9.050 -6.226 1.712 1.00 0.00 C ATOM 718 C LEU A 46 9.834 -5.092 1.064 1.00 0.00 C ATOM 719 O LEU A 46 9.249 -4.149 0.555 1.00 0.00 O ATOM 720 CB LEU A 46 9.117 -6.091 3.240 1.00 0.00 C ATOM 721 CG LEU A 46 8.684 -4.706 3.765 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.253 -4.337 3.351 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.819 -4.673 5.291 1.00 0.00 C ATOM 0 H LEU A 46 9.891 -8.103 2.081 1.00 0.00 H new ATOM 0 HA LEU A 46 8.008 -6.181 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.482 -6.854 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.137 -6.290 3.568 1.00 0.00 H new ATOM 0 HG LEU A 46 9.343 -3.964 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.002 -3.353 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.182 -4.319 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.557 -5.077 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.513 -3.695 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.183 -5.442 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.857 -4.858 5.569 1.00 0.00 H new ATOM 735 N ASP A 47 11.161 -5.198 1.097 1.00 0.00 N ATOM 736 CA ASP A 47 12.094 -4.220 0.586 1.00 0.00 C ATOM 737 C ASP A 47 11.863 -4.041 -0.902 1.00 0.00 C ATOM 738 O ASP A 47 11.570 -2.938 -1.335 1.00 0.00 O ATOM 739 CB ASP A 47 13.534 -4.649 0.893 1.00 0.00 C ATOM 740 CG ASP A 47 13.752 -4.840 2.388 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.405 -5.944 2.865 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.232 -3.879 3.028 1.00 0.00 O ATOM 0 H ASP A 47 11.628 -6.010 1.502 1.00 0.00 H new ATOM 0 HA ASP A 47 11.933 -3.260 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.757 -5.579 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.227 -3.897 0.516 1.00 0.00 H new ATOM 747 N GLU A 48 11.969 -5.112 -1.689 1.00 0.00 N ATOM 748 CA GLU A 48 11.780 -5.033 -3.130 1.00 0.00 C ATOM 749 C GLU A 48 10.399 -4.462 -3.467 1.00 0.00 C ATOM 750 O GLU A 48 10.267 -3.558 -4.290 1.00 0.00 O ATOM 751 CB GLU A 48 11.973 -6.428 -3.736 1.00 0.00 C ATOM 752 CG GLU A 48 13.426 -6.902 -3.599 1.00 0.00 C ATOM 753 CD GLU A 48 14.369 -6.133 -4.518 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.240 -6.322 -5.747 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.196 -5.369 -3.976 1.00 0.00 O ATOM 0 H GLU A 48 12.186 -6.048 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 48 12.519 -4.356 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.309 -7.137 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.692 -6.411 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.750 -6.782 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.483 -7.966 -3.830 1.00 0.00 H new ATOM 762 N LEU A 49 9.363 -4.992 -2.818 1.00 0.00 N ATOM 763 CA LEU A 49 7.991 -4.570 -3.034 1.00 0.00 C ATOM 764 C LEU A 49 7.824 -3.081 -2.736 1.00 0.00 C ATOM 765 O LEU A 49 7.439 -2.300 -3.603 1.00 0.00 O ATOM 766 CB LEU A 49 7.079 -5.463 -2.185 1.00 0.00 C ATOM 767 CG LEU A 49 5.619 -5.005 -2.160 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.012 -4.936 -3.568 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.813 -5.979 -1.298 1.00 0.00 C ATOM 0 H LEU A 49 9.459 -5.732 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 49 7.710 -4.688 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.124 -6.482 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.460 -5.490 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 49 5.583 -3.999 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.975 -4.607 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.579 -4.230 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.050 -5.923 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.770 -5.664 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.879 -6.981 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.215 -5.987 -0.285 1.00 0.00 H new ATOM 781 N PHE A 50 8.127 -2.676 -1.506 1.00 0.00 N ATOM 782 CA PHE A 50 8.062 -1.305 -1.075 1.00 0.00 C ATOM 783 C PHE A 50 8.934 -0.457 -1.997 1.00 0.00 C ATOM 784 O PHE A 50 8.554 0.655 -2.318 1.00 0.00 O ATOM 785 CB PHE A 50 8.561 -1.240 0.369 1.00 0.00 C ATOM 786 CG PHE A 50 8.891 0.158 0.797 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.869 1.035 1.178 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.192 0.632 0.577 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.178 2.380 1.440 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.486 1.992 0.766 1.00 0.00 C ATOM 791 CZ PHE A 50 9.479 2.862 1.217 1.00 0.00 C ATOM 0 H PHE A 50 8.431 -3.316 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 50 7.043 -0.921 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.800 -1.650 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.446 -1.868 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.853 0.681 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.969 -0.049 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.414 3.045 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.479 2.367 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.705 3.903 1.393 1.00 0.00 H new ATOM 801 N GLU A 51 10.092 -0.957 -2.434 1.00 0.00 N ATOM 802 CA GLU A 51 10.956 -0.177 -3.317 1.00 0.00 C ATOM 803 C GLU A 51 10.256 0.089 -4.647 1.00 0.00 C ATOM 804 O GLU A 51 10.296 1.214 -5.133 1.00 0.00 O ATOM 805 CB GLU A 51 12.323 -0.841 -3.517 1.00 0.00 C ATOM 806 CG GLU A 51 13.252 -0.583 -2.323 1.00 0.00 C ATOM 807 CD GLU A 51 14.499 -1.455 -2.399 1.00 0.00 C ATOM 808 OE1 GLU A 51 15.314 -1.198 -3.312 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.618 -2.364 -1.548 1.00 0.00 O ATOM 0 H GLU A 51 10.447 -1.883 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 51 11.147 0.782 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.191 -1.915 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.784 -0.460 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.540 0.468 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.719 -0.785 -1.394 1.00 0.00 H new ATOM 816 N GLU A 52 9.597 -0.920 -5.226 1.00 0.00 N ATOM 817 CA GLU A 52 8.848 -0.724 -6.463 1.00 0.00 C ATOM 818 C GLU A 52 7.802 0.358 -6.197 1.00 0.00 C ATOM 819 O GLU A 52 7.603 1.284 -6.979 1.00 0.00 O ATOM 820 CB GLU A 52 8.179 -2.048 -6.873 1.00 0.00 C ATOM 821 CG GLU A 52 7.066 -1.864 -7.917 1.00 0.00 C ATOM 822 CD GLU A 52 6.425 -3.201 -8.278 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.963 -3.861 -9.192 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.415 -3.543 -7.625 1.00 0.00 O ATOM 0 H GLU A 52 9.569 -1.871 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 52 9.502 -0.415 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.936 -2.722 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.762 -2.527 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.306 -1.186 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.477 -1.400 -8.814 1.00 0.00 H new ATOM 831 N LEU A 53 7.123 0.200 -5.066 1.00 0.00 N ATOM 832 CA LEU A 53 6.063 1.074 -4.618 1.00 0.00 C ATOM 833 C LEU A 53 6.521 2.492 -4.262 1.00 0.00 C ATOM 834 O LEU A 53 5.759 3.426 -4.474 1.00 0.00 O ATOM 835 CB LEU A 53 5.359 0.383 -3.448 1.00 0.00 C ATOM 836 CG LEU A 53 4.278 -0.576 -3.961 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.970 -1.582 -2.856 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.996 0.166 -4.364 1.00 0.00 C ATOM 0 H LEU A 53 7.307 -0.567 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 53 5.373 1.232 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.087 -0.166 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.910 1.130 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 53 4.650 -1.080 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.202 -2.276 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.875 -2.137 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.613 -1.054 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.257 -0.552 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.597 0.698 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.222 0.879 -5.157 1.00 0.00 H new ATOM 850 N ASP A 54 7.723 2.708 -3.729 1.00 0.00 N ATOM 851 CA ASP A 54 8.209 4.033 -3.343 1.00 0.00 C ATOM 852 C ASP A 54 8.682 4.777 -4.595 1.00 0.00 C ATOM 853 O ASP A 54 9.831 5.202 -4.684 1.00 0.00 O ATOM 854 CB ASP A 54 9.309 3.885 -2.278 1.00 0.00 C ATOM 855 CG ASP A 54 9.749 5.218 -1.661 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.175 6.263 -2.036 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.670 5.187 -0.814 1.00 0.00 O ATOM 0 H ASP A 54 8.394 1.961 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 54 7.412 4.627 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.950 3.228 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.175 3.399 -2.727 1.00 0.00 H new ATOM 862 N LYS A 55 7.783 4.934 -5.568 1.00 0.00 N ATOM 863 CA LYS A 55 8.031 5.561 -6.852 1.00 0.00 C ATOM 864 C LYS A 55 8.671 6.939 -6.687 1.00 0.00 C ATOM 865 O LYS A 55 9.607 7.281 -7.403 1.00 0.00 O ATOM 866 CB LYS A 55 6.696 5.635 -7.601 1.00 0.00 C ATOM 867 CG LYS A 55 6.842 6.120 -9.046 1.00 0.00 C ATOM 868 CD LYS A 55 5.484 6.085 -9.764 1.00 0.00 C ATOM 869 CE LYS A 55 4.407 6.974 -9.122 1.00 0.00 C ATOM 870 NZ LYS A 55 4.878 8.354 -8.909 1.00 0.00 N ATOM 0 H LYS A 55 6.821 4.610 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 55 8.743 4.970 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.231 4.649 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.023 6.305 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.240 7.135 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.557 5.491 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.625 6.395 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.124 5.056 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.523 6.988 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.105 6.544 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.090 8.941 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.640 8.355 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.237 8.741 -9.805 1.00 0.00 H new ATOM 884 N ASN A 56 8.158 7.735 -5.747 1.00 0.00 N ATOM 885 CA ASN A 56 8.669 9.074 -5.494 1.00 0.00 C ATOM 886 C ASN A 56 9.949 9.078 -4.648 1.00 0.00 C ATOM 887 O ASN A 56 10.570 10.129 -4.531 1.00 0.00 O ATOM 888 CB ASN A 56 7.574 9.979 -4.911 1.00 0.00 C ATOM 889 CG ASN A 56 7.244 9.697 -3.449 1.00 0.00 C ATOM 890 OD1 ASN A 56 7.659 8.703 -2.872 1.00 0.00 O ATOM 891 ND2 ASN A 56 6.480 10.573 -2.813 1.00 0.00 N ATOM 0 H ASN A 56 7.380 7.467 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 56 8.962 9.491 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.888 11.018 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.668 9.863 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.234 10.420 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.137 11.400 -3.301 1.00 0.00 H new ATOM 898 N GLY A 57 10.357 7.944 -4.063 1.00 0.00 N ATOM 899 CA GLY A 57 11.562 7.852 -3.256 1.00 0.00 C ATOM 900 C GLY A 57 11.482 8.803 -2.068 1.00 0.00 C ATOM 901 O GLY A 57 12.312 9.700 -1.954 1.00 0.00 O ATOM 0 H GLY A 57 9.850 7.063 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.693 6.829 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.434 8.093 -3.864 1.00 0.00 H new ATOM 905 N ASP A 58 10.495 8.614 -1.181 1.00 0.00 N ATOM 906 CA ASP A 58 10.305 9.503 -0.032 1.00 0.00 C ATOM 907 C ASP A 58 10.408 8.759 1.295 1.00 0.00 C ATOM 908 O ASP A 58 10.158 9.345 2.343 1.00 0.00 O ATOM 909 CB ASP A 58 8.995 10.303 -0.160 1.00 0.00 C ATOM 910 CG ASP A 58 7.713 9.494 0.035 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.817 8.274 0.274 1.00 0.00 O ATOM 912 OD2 ASP A 58 6.633 10.117 -0.065 1.00 0.00 O ATOM 0 H ASP A 58 9.818 7.854 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 58 11.123 10.223 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.010 11.111 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.966 10.766 -1.146 1.00 0.00 H new ATOM 917 N GLY A 59 10.758 7.470 1.261 1.00 0.00 N ATOM 918 CA GLY A 59 10.886 6.667 2.468 1.00 0.00 C ATOM 919 C GLY A 59 9.561 5.993 2.814 1.00 0.00 C ATOM 920 O GLY A 59 9.537 5.053 3.609 1.00 0.00 O ATOM 0 H GLY A 59 10.958 6.962 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.658 5.911 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.206 7.298 3.297 1.00 0.00 H new ATOM 924 N GLU A 60 8.459 6.448 2.214 1.00 0.00 N ATOM 925 CA GLU A 60 7.138 5.903 2.385 1.00 0.00 C ATOM 926 C GLU A 60 6.637 5.472 0.992 1.00 0.00 C ATOM 927 O GLU A 60 7.398 5.370 0.038 1.00 0.00 O ATOM 928 CB GLU A 60 6.243 7.017 2.973 1.00 0.00 C ATOM 929 CG GLU A 60 6.940 8.087 3.840 1.00 0.00 C ATOM 930 CD GLU A 60 7.649 7.540 5.075 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.935 6.997 5.942 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.886 7.705 5.151 1.00 0.00 O ATOM 0 H GLU A 60 8.479 7.240 1.571 1.00 0.00 H new ATOM 0 HA GLU A 60 7.124 5.045 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.743 7.523 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.466 6.546 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.667 8.617 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.197 8.819 4.158 1.00 0.00 H new ATOM 939 N VAL A 61 5.337 5.250 0.888 1.00 0.00 N ATOM 940 CA VAL A 61 4.539 4.976 -0.295 1.00 0.00 C ATOM 941 C VAL A 61 3.402 5.993 -0.123 1.00 0.00 C ATOM 942 O VAL A 61 3.337 6.663 0.905 1.00 0.00 O ATOM 943 CB VAL A 61 4.026 3.515 -0.293 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.299 3.113 -1.584 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.179 2.537 -0.074 1.00 0.00 C ATOM 0 H VAL A 61 4.751 5.259 1.723 1.00 0.00 H new ATOM 0 HA VAL A 61 5.072 5.070 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 61 3.308 3.466 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.969 2.077 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.434 3.760 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.977 3.217 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.796 1.517 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.910 2.652 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.655 2.744 0.885 1.00 0.00 H new ATOM 955 N SER A 62 2.484 6.135 -1.066 1.00 0.00 N ATOM 956 CA SER A 62 1.342 7.025 -0.925 1.00 0.00 C ATOM 957 C SER A 62 0.231 6.432 -1.773 1.00 0.00 C ATOM 958 O SER A 62 0.492 5.506 -2.542 1.00 0.00 O ATOM 959 CB SER A 62 1.665 8.464 -1.338 1.00 0.00 C ATOM 960 OG SER A 62 1.951 8.525 -2.717 1.00 0.00 O ATOM 0 H SER A 62 2.510 5.634 -1.954 1.00 0.00 H new ATOM 0 HA SER A 62 1.043 7.096 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.822 9.114 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.517 8.831 -0.766 1.00 0.00 H new ATOM 0 HG SER A 62 2.154 9.450 -2.968 1.00 0.00 H new ATOM 966 N PHE A 63 -0.993 6.947 -1.650 1.00 0.00 N ATOM 967 CA PHE A 63 -2.107 6.448 -2.443 1.00 0.00 C ATOM 968 C PHE A 63 -1.742 6.437 -3.929 1.00 0.00 C ATOM 969 O PHE A 63 -2.083 5.493 -4.636 1.00 0.00 O ATOM 970 CB PHE A 63 -3.393 7.189 -2.107 1.00 0.00 C ATOM 971 CG PHE A 63 -4.587 6.755 -2.932 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.814 7.301 -4.210 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.349 5.654 -2.504 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.828 6.772 -5.029 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.436 5.204 -3.273 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.706 5.798 -4.517 1.00 0.00 C ATOM 0 H PHE A 63 -1.233 7.705 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.308 5.409 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.620 7.041 -1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.233 8.257 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.210 8.125 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.098 5.152 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.933 7.112 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.062 4.403 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.583 5.509 -5.078 1.00 0.00 H new ATOM 986 N GLU A 64 -1.022 7.473 -4.377 1.00 0.00 N ATOM 987 CA GLU A 64 -0.537 7.636 -5.740 1.00 0.00 C ATOM 988 C GLU A 64 0.103 6.329 -6.231 1.00 0.00 C ATOM 989 O GLU A 64 -0.458 5.604 -7.050 1.00 0.00 O ATOM 990 CB GLU A 64 0.461 8.812 -5.759 1.00 0.00 C ATOM 991 CG GLU A 64 0.763 9.272 -7.191 1.00 0.00 C ATOM 992 CD GLU A 64 1.827 10.364 -7.215 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.587 11.406 -6.567 1.00 0.00 O ATOM 994 OE2 GLU A 64 2.861 10.139 -7.880 1.00 0.00 O ATOM 0 H GLU A 64 -0.754 8.248 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.359 7.862 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.053 9.645 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.387 8.512 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.100 8.422 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.151 9.643 -7.655 1.00 0.00 H new ATOM 1001 N GLU A 65 1.291 6.027 -5.712 1.00 0.00 N ATOM 1002 CA GLU A 65 2.042 4.828 -6.046 1.00 0.00 C ATOM 1003 C GLU A 65 1.216 3.584 -5.734 1.00 0.00 C ATOM 1004 O GLU A 65 1.224 2.630 -6.505 1.00 0.00 O ATOM 1005 CB GLU A 65 3.366 4.729 -5.274 1.00 0.00 C ATOM 1006 CG GLU A 65 3.700 5.824 -4.254 1.00 0.00 C ATOM 1007 CD GLU A 65 4.457 6.996 -4.868 1.00 0.00 C ATOM 1008 OE1 GLU A 65 3.798 7.783 -5.578 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.678 7.082 -4.614 1.00 0.00 O ATOM 0 H GLU A 65 1.765 6.624 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 65 2.265 4.891 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.374 3.774 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.174 4.698 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.776 6.190 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.297 5.394 -3.449 1.00 0.00 H new ATOM 1016 N PHE A 66 0.515 3.585 -4.596 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.313 2.457 -4.182 1.00 0.00 C ATOM 1018 C PHE A 66 -1.270 2.000 -5.293 1.00 0.00 C ATOM 1019 O PHE A 66 -1.629 0.823 -5.321 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.019 2.795 -2.868 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.136 1.866 -2.442 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.864 0.524 -2.126 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.457 2.346 -2.376 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.920 -0.352 -1.818 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.500 1.490 -1.989 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.236 0.135 -1.726 1.00 0.00 C ATOM 0 H PHE A 66 0.508 4.367 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 66 0.328 1.594 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.272 2.816 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.426 3.803 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.845 0.166 -2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.669 3.376 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.720 -1.400 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.505 1.873 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.042 -0.531 -1.454 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.663 2.871 -6.235 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.505 2.423 -7.342 1.00 0.00 C ATOM 1038 C GLN A 67 -1.873 1.253 -8.111 1.00 0.00 C ATOM 1039 O GLN A 67 -2.581 0.429 -8.686 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.028 3.571 -8.225 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.688 4.702 -7.435 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.713 4.136 -6.463 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.840 3.830 -6.827 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.335 3.978 -5.209 1.00 0.00 N ATOM 0 H GLN A 67 -1.417 3.861 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.414 2.016 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.199 3.979 -8.803 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.748 3.170 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.930 5.264 -6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.171 5.399 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.391 4.239 -4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.987 3.595 -4.524 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.543 1.133 -8.093 1.00 0.00 N ATOM 1054 CA VAL A 68 0.144 -0.003 -8.692 1.00 0.00 C ATOM 1055 C VAL A 68 -0.338 -1.276 -7.981 1.00 0.00 C ATOM 1056 O VAL A 68 -0.629 -2.276 -8.627 1.00 0.00 O ATOM 1057 CB VAL A 68 1.670 0.181 -8.595 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.423 -1.056 -9.104 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.119 1.396 -9.420 1.00 0.00 C ATOM 0 H VAL A 68 0.080 1.818 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.089 -0.083 -9.754 1.00 0.00 H new ATOM 0 HB VAL A 68 1.905 0.333 -7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.497 -0.889 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.143 -1.924 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.165 -1.235 -10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.200 1.511 -9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.846 1.247 -10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.630 2.294 -9.042 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.455 -1.250 -6.650 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.930 -2.389 -5.872 1.00 0.00 C ATOM 1071 C LEU A 69 -2.410 -2.598 -6.213 1.00 0.00 C ATOM 1072 O LEU A 69 -2.839 -3.722 -6.462 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.703 -2.129 -4.373 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.658 -3.361 -3.451 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.957 -4.173 -3.439 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.524 -4.289 -3.760 1.00 0.00 C ATOM 0 H LEU A 69 -0.221 -0.434 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.380 -3.298 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.236 -1.587 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.495 -1.469 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.524 -2.940 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.848 -5.024 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.777 -3.542 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.172 -4.531 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.506 -5.140 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.449 -4.644 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.459 -3.743 -3.632 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.193 -1.509 -6.253 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.603 -1.572 -6.648 1.00 0.00 C ATOM 1090 C VAL A 70 -4.732 -2.291 -7.998 1.00 0.00 C ATOM 1091 O VAL A 70 -5.691 -3.022 -8.225 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.261 -0.182 -6.672 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.714 -0.266 -7.158 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.217 0.462 -5.279 1.00 0.00 C ATOM 0 H VAL A 70 -2.869 -0.572 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.144 -2.147 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.697 0.438 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.154 0.731 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.737 -0.679 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.285 -0.910 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.687 1.445 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.752 -0.169 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.180 0.568 -4.960 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.775 -2.112 -8.907 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.778 -2.846 -10.155 1.00 0.00 C ATOM 1106 C LYS A 71 -3.348 -4.295 -9.871 1.00 0.00 C ATOM 1107 O LYS A 71 -3.985 -5.243 -10.333 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.858 -2.127 -11.146 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.893 -2.752 -12.545 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.898 -2.039 -13.468 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.381 -0.643 -13.884 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.458 -0.026 -14.852 1.00 0.00 N ATOM 0 H LYS A 71 -2.994 -1.466 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.770 -2.885 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.151 -1.079 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.836 -2.149 -10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.648 -3.812 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.899 -2.681 -12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.936 -1.952 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.736 -2.645 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.376 -0.715 -14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.466 -0.007 -13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.810 0.917 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.515 0.064 -14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.397 -0.622 -15.702 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.266 -4.499 -9.110 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.730 -5.798 -8.824 1.00 0.00 C ATOM 1128 C LYS A 72 -2.680 -6.761 -8.119 1.00 0.00 C ATOM 1129 O LYS A 72 -2.504 -7.965 -8.253 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.436 -5.706 -8.041 1.00 0.00 C ATOM 1131 CG LYS A 72 0.722 -5.007 -8.761 1.00 0.00 C ATOM 1132 CD LYS A 72 1.944 -5.929 -8.885 1.00 0.00 C ATOM 1133 CE LYS A 72 2.744 -6.072 -7.579 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.014 -6.815 -6.535 1.00 0.00 N ATOM 0 H LYS A 72 -1.742 -3.739 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.549 -6.223 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.633 -5.178 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.120 -6.715 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.399 -4.694 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.999 -4.105 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.613 -6.916 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.602 -5.543 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.685 -6.581 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.996 -5.080 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.684 -7.144 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.307 -6.192 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.536 -7.634 -6.962 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.689 -6.296 -7.385 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.635 -7.253 -6.806 1.00 0.00 C ATOM 1150 C ILE A 73 -5.300 -8.042 -7.949 1.00 0.00 C ATOM 1151 O ILE A 73 -5.676 -9.197 -7.767 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.672 -6.566 -5.903 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.162 -5.263 -6.535 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.074 -6.281 -4.519 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.522 -4.810 -6.021 1.00 0.00 C ATOM 0 H ILE A 73 -3.871 -5.313 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.094 -7.944 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.521 -7.240 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.430 -4.478 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.216 -5.391 -7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.822 -5.794 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.767 -7.218 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.208 -5.627 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.806 -3.880 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.266 -5.576 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.469 -4.649 -4.944 1.00 0.00 H new ATOM 1167 N SER A 74 -5.407 -7.432 -9.137 1.00 0.00 N ATOM 1168 CA SER A 74 -5.940 -8.057 -10.338 1.00 0.00 C ATOM 1169 C SER A 74 -4.795 -8.610 -11.203 1.00 0.00 C ATOM 1170 O SER A 74 -4.958 -9.643 -11.842 1.00 0.00 O ATOM 1171 CB SER A 74 -6.763 -7.032 -11.124 1.00 0.00 C ATOM 1172 OG SER A 74 -7.770 -6.483 -10.298 1.00 0.00 O ATOM 0 H SER A 74 -5.116 -6.466 -9.285 1.00 0.00 H new ATOM 0 HA SER A 74 -6.585 -8.889 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.113 -6.239 -11.495 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.215 -7.507 -11.995 1.00 0.00 H new ATOM 0 HG SER A 74 -8.290 -5.828 -10.808 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.652 -7.909 -11.231 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.439 -8.214 -12.006 1.00 0.00 C ATOM 1180 C GLN A 75 -2.682 -9.124 -13.214 1.00 0.00 C ATOM 1181 O GLN A 75 -2.114 -8.897 -14.282 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.235 -8.671 -11.146 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.026 -10.174 -10.909 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.244 -10.946 -10.399 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.493 -12.069 -10.817 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.019 -10.392 -9.485 1.00 0.00 N ATOM 0 H GLN A 75 -3.543 -7.059 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.148 -7.249 -12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.330 -8.281 -11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.325 -8.192 -10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.698 -10.627 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.214 -10.300 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.810 -9.456 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.827 -10.900 -9.126 1.00 0.00 H new TER 1195 GLN A 75