USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 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 94 THR OG1 : rot 177:sc= -2.72! USER MOD Set 1.2: A 98 LYS NZ :NH3+ 154:sc= 1.5 (180deg=0.771) USER MOD Set 2.1: A 45 THR OG1 : rot -115:sc= 0.733 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.654 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.235) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -81:sc= 0.024 USER MOD Single : A 43 ASN : amide:sc= 1.1 K(o=1.1,f=-0.73) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 154:sc= -1.38 (180deg=-3.05) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 1.27 (180deg=-0.487) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.0259 (180deg=-0.253) USER MOD Single : A 73 MET CE :methyl -145:sc= -0.511 (180deg=-2.52!) USER MOD Single : A 74 ASN : amide:sc= 1.02 K(o=1,f=-0.36) USER MOD Single : A 76 TYR OH : rot -159:sc= 1.31 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 143:sc= -0.395 (180deg=-1.7!) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0128) USER MOD Single : A 99 ASN : amide:sc=-0.00835 X(o=-0.0083,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 25 15.630 -4.461 5.452 1.00 2.19 N ATOM 2 CA LEU A 25 15.529 -4.306 3.985 1.00 2.00 C ATOM 3 C LEU A 25 16.699 -3.485 3.469 1.00 2.03 C ATOM 4 O LEU A 25 17.398 -2.836 4.246 1.00 2.16 O ATOM 5 CB LEU A 25 14.223 -3.604 3.609 1.00 1.86 C ATOM 6 CG LEU A 25 12.948 -4.280 4.109 1.00 1.84 C ATOM 7 CD1 LEU A 25 11.740 -3.418 3.788 1.00 2.04 C ATOM 8 CD2 LEU A 25 12.795 -5.663 3.494 1.00 2.35 C ATOM 0 HA LEU A 25 15.546 -5.298 3.534 1.00 2.00 H new ATOM 0 HB2 LEU A 25 14.252 -2.587 4.000 1.00 1.86 H new ATOM 0 HB3 LEU A 25 14.171 -3.527 2.523 1.00 1.86 H new ATOM 0 HG LEU A 25 13.018 -4.396 5.191 1.00 1.84 H new ATOM 0 HD11 LEU A 25 10.836 -3.909 4.149 1.00 2.04 H new ATOM 0 HD12 LEU A 25 11.845 -2.449 4.275 1.00 2.04 H new ATOM 0 HD13 LEU A 25 11.670 -3.277 2.709 1.00 2.04 H new ATOM 0 HD21 LEU A 25 11.880 -6.126 3.864 1.00 2.35 H new ATOM 0 HD22 LEU A 25 12.744 -5.575 2.409 1.00 2.35 H new ATOM 0 HD23 LEU A 25 13.651 -6.280 3.768 1.00 2.35 H new ATOM 22 N SER A 26 16.913 -3.521 2.166 1.00 2.05 N ATOM 23 CA SER A 26 17.921 -2.683 1.540 1.00 2.13 C ATOM 24 C SER A 26 17.345 -1.294 1.277 1.00 1.83 C ATOM 25 O SER A 26 16.130 -1.134 1.140 1.00 1.63 O ATOM 26 CB SER A 26 18.387 -3.315 0.228 1.00 2.37 C ATOM 27 OG SER A 26 18.706 -4.687 0.408 1.00 2.73 O ATOM 0 H SER A 26 16.402 -4.122 1.520 1.00 2.05 H new ATOM 0 HA SER A 26 18.777 -2.593 2.209 1.00 2.13 H new ATOM 0 HB2 SER A 26 17.605 -3.216 -0.525 1.00 2.37 H new ATOM 0 HB3 SER A 26 19.260 -2.781 -0.147 1.00 2.37 H new ATOM 0 HG SER A 26 19.000 -5.069 -0.445 1.00 2.73 H new ATOM 33 N GLU A 27 18.203 -0.289 1.202 1.00 1.84 N ATOM 34 CA GLU A 27 17.745 1.069 0.954 1.00 1.64 C ATOM 35 C GLU A 27 17.323 1.247 -0.500 1.00 1.38 C ATOM 36 O GLU A 27 16.498 2.106 -0.809 1.00 1.18 O ATOM 37 CB GLU A 27 18.821 2.082 1.337 1.00 1.82 C ATOM 38 CG GLU A 27 19.125 2.088 2.826 1.00 2.09 C ATOM 39 CD GLU A 27 20.081 3.190 3.217 1.00 2.19 C ATOM 40 OE1 GLU A 27 19.638 4.345 3.358 1.00 2.50 O ATOM 41 OE2 GLU A 27 21.286 2.908 3.382 1.00 2.66 O ATOM 0 H GLU A 27 19.213 -0.386 1.308 1.00 1.84 H new ATOM 0 HA GLU A 27 16.871 1.249 1.580 1.00 1.64 H new ATOM 0 HB2 GLU A 27 19.735 1.860 0.786 1.00 1.82 H new ATOM 0 HB3 GLU A 27 18.500 3.078 1.033 1.00 1.82 H new ATOM 0 HG2 GLU A 27 18.195 2.204 3.383 1.00 2.09 H new ATOM 0 HG3 GLU A 27 19.549 1.125 3.111 1.00 2.09 H new ATOM 48 N GLU A 28 17.882 0.432 -1.393 1.00 1.45 N ATOM 49 CA GLU A 28 17.432 0.411 -2.784 1.00 1.33 C ATOM 50 C GLU A 28 15.964 -0.007 -2.847 1.00 1.15 C ATOM 51 O GLU A 28 15.197 0.487 -3.674 1.00 1.01 O ATOM 52 CB GLU A 28 18.293 -0.533 -3.634 1.00 1.59 C ATOM 53 CG GLU A 28 18.285 -1.978 -3.159 1.00 1.83 C ATOM 54 CD GLU A 28 19.017 -2.906 -4.106 1.00 2.29 C ATOM 55 OE1 GLU A 28 18.377 -3.440 -5.035 1.00 2.53 O ATOM 56 OE2 GLU A 28 20.237 -3.108 -3.924 1.00 2.57 O ATOM 0 H GLU A 28 18.640 -0.217 -1.181 1.00 1.45 H new ATOM 0 HA GLU A 28 17.538 1.416 -3.193 1.00 1.33 H new ATOM 0 HB2 GLU A 28 17.941 -0.499 -4.665 1.00 1.59 H new ATOM 0 HB3 GLU A 28 19.320 -0.168 -3.636 1.00 1.59 H new ATOM 0 HG2 GLU A 28 18.745 -2.035 -2.172 1.00 1.83 H new ATOM 0 HG3 GLU A 28 17.254 -2.315 -3.050 1.00 1.83 H new ATOM 63 N GLN A 29 15.590 -0.911 -1.946 1.00 1.23 N ATOM 64 CA GLN A 29 14.203 -1.327 -1.790 1.00 1.11 C ATOM 65 C GLN A 29 13.365 -0.161 -1.304 1.00 0.88 C ATOM 66 O GLN A 29 12.280 0.108 -1.816 1.00 0.73 O ATOM 67 CB GLN A 29 14.111 -2.473 -0.779 1.00 1.29 C ATOM 68 CG GLN A 29 14.687 -3.785 -1.285 1.00 1.88 C ATOM 69 CD GLN A 29 14.124 -4.187 -2.634 1.00 2.64 C ATOM 70 OE1 GLN A 29 14.667 -3.828 -3.674 1.00 3.15 O ATOM 71 NE2 GLN A 29 13.032 -4.931 -2.626 1.00 3.30 N ATOM 0 H GLN A 29 16.237 -1.373 -1.307 1.00 1.23 H new ATOM 0 HA GLN A 29 13.828 -1.665 -2.756 1.00 1.11 H new ATOM 0 HB2 GLN A 29 14.635 -2.184 0.132 1.00 1.29 H new ATOM 0 HB3 GLN A 29 13.066 -2.625 -0.511 1.00 1.29 H new ATOM 0 HG2 GLN A 29 15.771 -3.697 -1.359 1.00 1.88 H new ATOM 0 HG3 GLN A 29 14.480 -4.572 -0.560 1.00 1.88 H new ATOM 0 HE21 GLN A 29 12.611 -5.209 -1.740 1.00 3.30 H new ATOM 0 HE22 GLN A 29 12.610 -5.228 -3.506 1.00 3.30 H new ATOM 80 N LYS A 30 13.901 0.532 -0.312 1.00 0.95 N ATOM 81 CA LYS A 30 13.227 1.662 0.297 1.00 0.92 C ATOM 82 C LYS A 30 13.005 2.789 -0.686 1.00 0.75 C ATOM 83 O LYS A 30 11.998 3.493 -0.609 1.00 0.72 O ATOM 84 CB LYS A 30 14.015 2.142 1.505 1.00 1.20 C ATOM 85 CG LYS A 30 13.601 1.415 2.756 1.00 1.50 C ATOM 86 CD LYS A 30 14.757 1.200 3.717 1.00 1.83 C ATOM 87 CE LYS A 30 15.317 2.514 4.238 1.00 1.97 C ATOM 88 NZ LYS A 30 16.306 2.310 5.330 1.00 2.57 N ATOM 0 H LYS A 30 14.815 0.325 0.092 1.00 0.95 H new ATOM 0 HA LYS A 30 12.241 1.330 0.622 1.00 0.92 H new ATOM 0 HB2 LYS A 30 15.080 1.990 1.330 1.00 1.20 H new ATOM 0 HB3 LYS A 30 13.863 3.213 1.638 1.00 1.20 H new ATOM 0 HG2 LYS A 30 12.817 1.981 3.258 1.00 1.50 H new ATOM 0 HG3 LYS A 30 13.174 0.449 2.486 1.00 1.50 H new ATOM 0 HD2 LYS A 30 14.422 0.591 4.556 1.00 1.83 H new ATOM 0 HD3 LYS A 30 15.548 0.643 3.214 1.00 1.83 H new ATOM 0 HE2 LYS A 30 15.790 3.056 3.419 1.00 1.97 H new ATOM 0 HE3 LYS A 30 14.500 3.136 4.602 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 16.820 3.197 5.503 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 15.810 2.022 6.198 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 16.980 1.568 5.054 1.00 2.57 H new ATOM 102 N GLN A 31 13.931 2.956 -1.616 1.00 0.77 N ATOM 103 CA GLN A 31 13.776 3.970 -2.638 1.00 0.75 C ATOM 104 C GLN A 31 12.491 3.738 -3.416 1.00 0.64 C ATOM 105 O GLN A 31 11.719 4.668 -3.646 1.00 0.75 O ATOM 106 CB GLN A 31 14.961 3.975 -3.601 1.00 0.87 C ATOM 107 CG GLN A 31 16.259 4.463 -2.986 1.00 1.12 C ATOM 108 CD GLN A 31 17.391 4.485 -3.990 1.00 1.93 C ATOM 109 OE1 GLN A 31 17.169 4.667 -5.189 1.00 2.61 O ATOM 110 NE2 GLN A 31 18.611 4.315 -3.511 1.00 2.55 N ATOM 0 H GLN A 31 14.788 2.407 -1.682 1.00 0.77 H new ATOM 0 HA GLN A 31 13.733 4.939 -2.140 1.00 0.75 H new ATOM 0 HB2 GLN A 31 15.110 2.965 -3.982 1.00 0.87 H new ATOM 0 HB3 GLN A 31 14.717 4.605 -4.456 1.00 0.87 H new ATOM 0 HG2 GLN A 31 16.114 5.465 -2.582 1.00 1.12 H new ATOM 0 HG3 GLN A 31 16.529 3.818 -2.150 1.00 1.12 H new ATOM 0 HE21 GLN A 31 18.750 4.167 -2.511 1.00 2.55 H new ATOM 0 HE22 GLN A 31 19.413 4.332 -4.141 1.00 2.55 H new ATOM 119 N GLU A 32 12.259 2.481 -3.791 1.00 0.58 N ATOM 120 CA GLU A 32 11.054 2.101 -4.520 1.00 0.62 C ATOM 121 C GLU A 32 9.806 2.404 -3.707 1.00 0.56 C ATOM 122 O GLU A 32 8.771 2.771 -4.260 1.00 0.62 O ATOM 123 CB GLU A 32 11.069 0.610 -4.861 1.00 0.77 C ATOM 124 CG GLU A 32 12.131 0.204 -5.862 1.00 1.09 C ATOM 125 CD GLU A 32 11.922 -1.211 -6.355 1.00 1.90 C ATOM 126 OE1 GLU A 32 10.894 -1.461 -7.021 1.00 2.03 O ATOM 127 OE2 GLU A 32 12.781 -2.076 -6.094 1.00 2.77 O ATOM 0 H GLU A 32 12.894 1.706 -3.600 1.00 0.58 H new ATOM 0 HA GLU A 32 11.037 2.685 -5.440 1.00 0.62 H new ATOM 0 HB2 GLU A 32 11.217 0.042 -3.943 1.00 0.77 H new ATOM 0 HB3 GLU A 32 10.092 0.331 -5.254 1.00 0.77 H new ATOM 0 HG2 GLU A 32 12.115 0.891 -6.708 1.00 1.09 H new ATOM 0 HG3 GLU A 32 13.116 0.288 -5.402 1.00 1.09 H new ATOM 134 N ILE A 33 9.914 2.254 -2.393 1.00 0.51 N ATOM 135 CA ILE A 33 8.778 2.445 -1.507 1.00 0.51 C ATOM 136 C ILE A 33 8.269 3.882 -1.563 1.00 0.50 C ATOM 137 O ILE A 33 7.097 4.107 -1.835 1.00 0.54 O ATOM 138 CB ILE A 33 9.124 2.058 -0.055 1.00 0.53 C ATOM 139 CG1 ILE A 33 9.662 0.627 -0.011 1.00 0.59 C ATOM 140 CG2 ILE A 33 7.893 2.186 0.835 1.00 0.55 C ATOM 141 CD1 ILE A 33 10.055 0.166 1.372 1.00 0.68 C ATOM 0 H ILE A 33 10.780 2.000 -1.918 1.00 0.51 H new ATOM 0 HA ILE A 33 7.984 1.784 -1.856 1.00 0.51 H new ATOM 0 HB ILE A 33 9.892 2.736 0.317 1.00 0.53 H new ATOM 0 HG12 ILE A 33 8.904 -0.049 -0.407 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.529 0.554 -0.668 1.00 0.59 H new ATOM 0 HG21 ILE A 33 8.153 1.910 1.857 1.00 0.55 H new ATOM 0 HG22 ILE A 33 7.537 3.216 0.817 1.00 0.55 H new ATOM 0 HG23 ILE A 33 7.108 1.524 0.468 1.00 0.55 H new ATOM 0 HD11 ILE A 33 10.427 -0.857 1.322 1.00 0.68 H new ATOM 0 HD12 ILE A 33 10.836 0.817 1.764 1.00 0.68 H new ATOM 0 HD13 ILE A 33 9.186 0.205 2.029 1.00 0.68 H new ATOM 153 N LYS A 34 9.157 4.850 -1.337 1.00 0.53 N ATOM 154 CA LYS A 34 8.764 6.266 -1.387 1.00 0.60 C ATOM 155 C LYS A 34 8.372 6.622 -2.807 1.00 0.54 C ATOM 156 O LYS A 34 7.422 7.368 -3.037 1.00 0.59 O ATOM 157 CB LYS A 34 9.898 7.218 -0.970 1.00 0.76 C ATOM 158 CG LYS A 34 11.006 6.594 -0.145 1.00 1.13 C ATOM 159 CD LYS A 34 10.499 6.136 1.198 1.00 1.13 C ATOM 160 CE LYS A 34 11.464 5.153 1.819 1.00 1.48 C ATOM 161 NZ LYS A 34 12.735 5.809 2.229 1.00 1.85 N ATOM 0 H LYS A 34 10.140 4.688 -1.120 1.00 0.53 H new ATOM 0 HA LYS A 34 7.937 6.387 -0.687 1.00 0.60 H new ATOM 0 HB2 LYS A 34 10.337 7.647 -1.870 1.00 0.76 H new ATOM 0 HB3 LYS A 34 9.466 8.042 -0.402 1.00 0.76 H new ATOM 0 HG2 LYS A 34 11.430 5.747 -0.684 1.00 1.13 H new ATOM 0 HG3 LYS A 34 11.809 7.317 -0.005 1.00 1.13 H new ATOM 0 HD2 LYS A 34 10.370 6.995 1.857 1.00 1.13 H new ATOM 0 HD3 LYS A 34 9.519 5.671 1.085 1.00 1.13 H new ATOM 0 HE2 LYS A 34 10.999 4.687 2.688 1.00 1.48 H new ATOM 0 HE3 LYS A 34 11.680 4.356 1.107 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 13.370 5.102 2.650 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 13.192 6.232 1.396 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 12.532 6.552 2.928 1.00 1.85 H new ATOM 175 N GLU A 35 9.132 6.075 -3.745 1.00 0.52 N ATOM 176 CA GLU A 35 8.922 6.311 -5.160 1.00 0.58 C ATOM 177 C GLU A 35 7.493 5.949 -5.544 1.00 0.53 C ATOM 178 O GLU A 35 6.751 6.781 -6.061 1.00 0.58 O ATOM 179 CB GLU A 35 9.926 5.471 -5.949 1.00 0.72 C ATOM 180 CG GLU A 35 10.485 6.161 -7.187 1.00 1.17 C ATOM 181 CD GLU A 35 9.420 6.491 -8.213 1.00 1.51 C ATOM 182 OE1 GLU A 35 8.994 5.577 -8.947 1.00 2.02 O ATOM 183 OE2 GLU A 35 9.005 7.665 -8.286 1.00 1.97 O ATOM 0 H GLU A 35 9.914 5.453 -3.542 1.00 0.52 H new ATOM 0 HA GLU A 35 9.073 7.366 -5.391 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.753 5.203 -5.292 1.00 0.72 H new ATOM 0 HB3 GLU A 35 9.445 4.541 -6.252 1.00 0.72 H new ATOM 0 HG2 GLU A 35 10.990 7.079 -6.887 1.00 1.17 H new ATOM 0 HG3 GLU A 35 11.237 5.519 -7.646 1.00 1.17 H new ATOM 190 N ALA A 36 7.110 4.710 -5.261 1.00 0.47 N ATOM 191 CA ALA A 36 5.761 4.240 -5.533 1.00 0.45 C ATOM 192 C ALA A 36 4.745 5.004 -4.695 1.00 0.39 C ATOM 193 O ALA A 36 3.719 5.445 -5.204 1.00 0.40 O ATOM 194 CB ALA A 36 5.661 2.746 -5.263 1.00 0.52 C ATOM 0 H ALA A 36 7.721 4.010 -4.840 1.00 0.47 H new ATOM 0 HA ALA A 36 5.537 4.420 -6.584 1.00 0.45 H new ATOM 0 HB1 ALA A 36 4.646 2.406 -5.470 1.00 0.52 H new ATOM 0 HB2 ALA A 36 6.361 2.212 -5.906 1.00 0.52 H new ATOM 0 HB3 ALA A 36 5.904 2.548 -4.219 1.00 0.52 H new ATOM 200 N PHE A 37 5.059 5.173 -3.417 1.00 0.38 N ATOM 201 CA PHE A 37 4.197 5.873 -2.476 1.00 0.36 C ATOM 202 C PHE A 37 3.776 7.242 -3.009 1.00 0.37 C ATOM 203 O PHE A 37 2.590 7.568 -3.041 1.00 0.42 O ATOM 204 CB PHE A 37 4.948 6.022 -1.152 1.00 0.37 C ATOM 205 CG PHE A 37 4.202 6.767 -0.093 1.00 0.39 C ATOM 206 CD1 PHE A 37 2.951 6.352 0.321 1.00 0.44 C ATOM 207 CD2 PHE A 37 4.772 7.874 0.500 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.276 7.034 1.307 1.00 0.52 C ATOM 209 CE2 PHE A 37 4.108 8.564 1.484 1.00 0.61 C ATOM 210 CZ PHE A 37 2.856 8.143 1.895 1.00 0.58 C ATOM 0 H PHE A 37 5.924 4.826 -3.003 1.00 0.38 H new ATOM 0 HA PHE A 37 3.285 5.295 -2.330 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.193 5.029 -0.775 1.00 0.37 H new ATOM 0 HB3 PHE A 37 5.892 6.533 -1.341 1.00 0.37 H new ATOM 0 HD1 PHE A 37 2.498 5.483 -0.134 1.00 0.44 H new ATOM 0 HD2 PHE A 37 5.752 8.202 0.187 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.297 6.704 1.621 1.00 0.52 H new ATOM 0 HE2 PHE A 37 4.562 9.433 1.936 1.00 0.61 H new ATOM 0 HZ PHE A 37 2.333 8.679 2.673 1.00 0.58 H new ATOM 220 N ASP A 38 4.752 8.030 -3.441 1.00 0.39 N ATOM 221 CA ASP A 38 4.489 9.375 -3.938 1.00 0.46 C ATOM 222 C ASP A 38 3.871 9.321 -5.327 1.00 0.44 C ATOM 223 O ASP A 38 3.031 10.148 -5.684 1.00 0.53 O ATOM 224 CB ASP A 38 5.785 10.182 -3.974 1.00 0.57 C ATOM 225 CG ASP A 38 5.542 11.664 -4.175 1.00 1.20 C ATOM 226 OD1 ASP A 38 5.027 12.319 -3.243 1.00 1.20 O ATOM 227 OD2 ASP A 38 5.849 12.177 -5.270 1.00 2.10 O ATOM 0 H ASP A 38 5.736 7.760 -3.457 1.00 0.39 H new ATOM 0 HA ASP A 38 3.784 9.861 -3.264 1.00 0.46 H new ATOM 0 HB2 ASP A 38 6.330 10.030 -3.042 1.00 0.57 H new ATOM 0 HB3 ASP A 38 6.419 9.809 -4.778 1.00 0.57 H new ATOM 232 N LEU A 39 4.292 8.333 -6.104 1.00 0.40 N ATOM 233 CA LEU A 39 3.779 8.125 -7.452 1.00 0.43 C ATOM 234 C LEU A 39 2.283 7.814 -7.435 1.00 0.46 C ATOM 235 O LEU A 39 1.531 8.292 -8.286 1.00 0.55 O ATOM 236 CB LEU A 39 4.550 6.980 -8.114 1.00 0.46 C ATOM 237 CG LEU A 39 3.953 6.434 -9.414 1.00 0.53 C ATOM 238 CD1 LEU A 39 3.922 7.509 -10.486 1.00 1.27 C ATOM 239 CD2 LEU A 39 4.743 5.226 -9.891 1.00 1.09 C ATOM 0 H LEU A 39 4.998 7.654 -5.819 1.00 0.40 H new ATOM 0 HA LEU A 39 3.919 9.043 -8.024 1.00 0.43 H new ATOM 0 HB2 LEU A 39 5.565 7.322 -8.319 1.00 0.46 H new ATOM 0 HB3 LEU A 39 4.628 6.160 -7.400 1.00 0.46 H new ATOM 0 HG LEU A 39 2.927 6.123 -9.217 1.00 0.53 H new ATOM 0 HD11 LEU A 39 3.494 7.099 -11.401 1.00 1.27 H new ATOM 0 HD12 LEU A 39 3.313 8.346 -10.144 1.00 1.27 H new ATOM 0 HD13 LEU A 39 4.937 7.855 -10.684 1.00 1.27 H new ATOM 0 HD21 LEU A 39 4.307 4.848 -10.816 1.00 1.09 H new ATOM 0 HD22 LEU A 39 5.778 5.516 -10.070 1.00 1.09 H new ATOM 0 HD23 LEU A 39 4.711 4.446 -9.130 1.00 1.09 H new ATOM 251 N PHE A 40 1.857 7.014 -6.466 1.00 0.48 N ATOM 252 CA PHE A 40 0.460 6.615 -6.365 1.00 0.58 C ATOM 253 C PHE A 40 -0.410 7.766 -5.883 1.00 0.55 C ATOM 254 O PHE A 40 -1.635 7.724 -6.018 1.00 0.63 O ATOM 255 CB PHE A 40 0.304 5.403 -5.444 1.00 0.74 C ATOM 256 CG PHE A 40 0.919 4.152 -6.005 1.00 0.55 C ATOM 257 CD1 PHE A 40 0.767 3.825 -7.341 1.00 0.92 C ATOM 258 CD2 PHE A 40 1.643 3.299 -5.189 1.00 0.74 C ATOM 259 CE1 PHE A 40 1.323 2.667 -7.851 1.00 1.38 C ATOM 260 CE2 PHE A 40 2.201 2.144 -5.692 1.00 1.01 C ATOM 261 CZ PHE A 40 2.070 1.856 -7.058 1.00 1.36 C ATOM 0 H PHE A 40 2.459 6.629 -5.739 1.00 0.48 H new ATOM 0 HA PHE A 40 0.125 6.335 -7.363 1.00 0.58 H new ATOM 0 HB2 PHE A 40 0.762 5.625 -4.480 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -0.756 5.228 -5.260 1.00 0.74 H new ATOM 0 HD1 PHE A 40 0.208 4.481 -7.992 1.00 0.92 H new ATOM 0 HD2 PHE A 40 1.772 3.542 -4.145 1.00 0.74 H new ATOM 0 HE1 PHE A 40 1.162 2.405 -8.886 1.00 1.38 H new ATOM 0 HE2 PHE A 40 2.734 1.467 -5.041 1.00 1.01 H new ATOM 0 HZ PHE A 40 2.562 0.991 -7.479 1.00 1.36 H new ATOM 271 N ASP A 41 0.220 8.794 -5.324 1.00 0.53 N ATOM 272 CA ASP A 41 -0.499 10.008 -4.978 1.00 0.58 C ATOM 273 C ASP A 41 -0.889 10.747 -6.247 1.00 0.69 C ATOM 274 O ASP A 41 -0.105 11.509 -6.821 1.00 1.27 O ATOM 275 CB ASP A 41 0.322 10.920 -4.063 1.00 0.65 C ATOM 276 CG ASP A 41 -0.308 12.296 -3.902 1.00 0.86 C ATOM 277 OD1 ASP A 41 -1.545 12.386 -3.728 1.00 1.23 O ATOM 278 OD2 ASP A 41 0.435 13.299 -3.948 1.00 1.32 O ATOM 0 H ASP A 41 1.216 8.809 -5.104 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.395 9.723 -4.428 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.423 10.452 -3.084 1.00 0.65 H new ATOM 0 HB3 ASP A 41 1.327 11.029 -4.470 1.00 0.65 H new ATOM 283 N THR A 42 -2.092 10.469 -6.703 1.00 0.79 N ATOM 284 CA THR A 42 -2.640 11.104 -7.880 1.00 0.92 C ATOM 285 C THR A 42 -3.557 12.244 -7.470 1.00 1.07 C ATOM 286 O THR A 42 -4.385 12.712 -8.252 1.00 1.16 O ATOM 287 CB THR A 42 -3.411 10.076 -8.731 1.00 0.95 C ATOM 288 OG1 THR A 42 -4.184 9.216 -7.875 1.00 1.00 O ATOM 289 CG2 THR A 42 -2.451 9.242 -9.567 1.00 1.08 C ATOM 0 H THR A 42 -2.719 9.794 -6.265 1.00 0.79 H new ATOM 0 HA THR A 42 -1.823 11.505 -8.480 1.00 0.92 H new ATOM 0 HB THR A 42 -4.079 10.615 -9.403 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.606 8.514 -7.508 1.00 1.00 H new ATOM 0 HG21 THR A 42 -3.016 8.523 -10.160 1.00 1.08 H new ATOM 0 HG22 THR A 42 -1.885 9.895 -10.231 1.00 1.08 H new ATOM 0 HG23 THR A 42 -1.764 8.710 -8.909 1.00 1.08 H new ATOM 297 N ASN A 43 -3.391 12.693 -6.231 1.00 1.32 N ATOM 298 CA ASN A 43 -4.236 13.733 -5.678 1.00 1.61 C ATOM 299 C ASN A 43 -3.415 14.952 -5.286 1.00 1.76 C ATOM 300 O ASN A 43 -3.364 15.933 -6.030 1.00 2.46 O ATOM 301 CB ASN A 43 -5.008 13.211 -4.461 1.00 1.71 C ATOM 302 CG ASN A 43 -5.907 12.037 -4.794 1.00 2.12 C ATOM 303 OD1 ASN A 43 -6.463 11.951 -5.888 1.00 2.53 O ATOM 304 ND2 ASN A 43 -6.049 11.122 -3.849 1.00 2.70 N ATOM 0 H ASN A 43 -2.675 12.348 -5.592 1.00 1.32 H new ATOM 0 HA ASN A 43 -4.948 14.028 -6.449 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -4.300 12.912 -3.688 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -5.611 14.018 -4.046 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -6.638 10.306 -4.014 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -5.569 11.233 -2.956 1.00 2.70 H new ATOM 311 N LYS A 44 -2.743 14.866 -4.135 1.00 1.55 N ATOM 312 CA LYS A 44 -2.089 16.030 -3.524 1.00 1.81 C ATOM 313 C LYS A 44 -1.615 15.730 -2.097 1.00 1.50 C ATOM 314 O LYS A 44 -1.371 16.655 -1.321 1.00 1.91 O ATOM 315 CB LYS A 44 -3.085 17.193 -3.447 1.00 2.48 C ATOM 316 CG LYS A 44 -4.328 16.836 -2.641 1.00 3.08 C ATOM 317 CD LYS A 44 -5.314 17.980 -2.551 1.00 3.52 C ATOM 318 CE LYS A 44 -6.516 17.574 -1.717 1.00 3.55 C ATOM 319 NZ LYS A 44 -7.480 18.687 -1.546 1.00 3.97 N ATOM 0 H LYS A 44 -2.636 14.001 -3.605 1.00 1.55 H new ATOM 0 HA LYS A 44 -1.228 16.282 -4.143 1.00 1.81 H new ATOM 0 HB2 LYS A 44 -2.597 18.057 -2.995 1.00 2.48 H new ATOM 0 HB3 LYS A 44 -3.379 17.484 -4.455 1.00 2.48 H new ATOM 0 HG2 LYS A 44 -4.817 15.975 -3.097 1.00 3.08 H new ATOM 0 HG3 LYS A 44 -4.031 16.538 -1.636 1.00 3.08 H new ATOM 0 HD2 LYS A 44 -4.832 18.851 -2.107 1.00 3.52 H new ATOM 0 HD3 LYS A 44 -5.637 18.270 -3.551 1.00 3.52 H new ATOM 0 HE2 LYS A 44 -7.018 16.731 -2.192 1.00 3.55 H new ATOM 0 HE3 LYS A 44 -6.179 17.234 -0.738 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 -8.284 18.365 -0.971 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 -7.010 19.483 -1.069 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 -7.823 18.995 -2.478 1.00 3.97 H new ATOM 333 N THR A 45 -1.455 14.464 -1.741 1.00 1.26 N ATOM 334 CA THR A 45 -1.344 14.114 -0.336 1.00 1.25 C ATOM 335 C THR A 45 -0.394 12.943 -0.099 1.00 1.10 C ATOM 336 O THR A 45 -0.283 12.031 -0.916 1.00 1.73 O ATOM 337 CB THR A 45 -2.741 13.782 0.238 1.00 1.42 C ATOM 338 OG1 THR A 45 -2.657 13.472 1.634 1.00 1.60 O ATOM 339 CG2 THR A 45 -3.382 12.617 -0.509 1.00 1.55 C ATOM 0 H THR A 45 -1.400 13.679 -2.390 1.00 1.26 H new ATOM 0 HA THR A 45 -0.927 14.979 0.179 1.00 1.25 H new ATOM 0 HB THR A 45 -3.366 14.665 0.107 1.00 1.42 H new ATOM 0 HG1 THR A 45 -2.912 12.537 1.777 1.00 1.60 H new ATOM 0 HG21 THR A 45 -4.363 12.407 -0.083 1.00 1.55 H new ATOM 0 HG22 THR A 45 -3.492 12.876 -1.562 1.00 1.55 H new ATOM 0 HG23 THR A 45 -2.750 11.734 -0.417 1.00 1.55 H new ATOM 347 N GLY A 46 0.286 12.981 1.037 1.00 0.82 N ATOM 348 CA GLY A 46 1.165 11.896 1.424 1.00 0.77 C ATOM 349 C GLY A 46 0.426 10.822 2.197 1.00 0.64 C ATOM 350 O GLY A 46 0.875 10.388 3.262 1.00 0.67 O ATOM 0 H GLY A 46 0.244 13.752 1.704 1.00 0.82 H new ATOM 0 HA2 GLY A 46 1.616 11.458 0.533 1.00 0.77 H new ATOM 0 HA3 GLY A 46 1.979 12.288 2.034 1.00 0.77 H new ATOM 354 N SER A 47 -0.713 10.408 1.666 1.00 0.55 N ATOM 355 CA SER A 47 -1.524 9.368 2.274 1.00 0.54 C ATOM 356 C SER A 47 -2.397 8.716 1.207 1.00 0.49 C ATOM 357 O SER A 47 -2.785 9.367 0.238 1.00 0.55 O ATOM 358 CB SER A 47 -2.376 9.945 3.412 1.00 0.68 C ATOM 359 OG SER A 47 -3.156 11.045 2.971 1.00 1.33 O ATOM 0 H SER A 47 -1.101 10.784 0.801 1.00 0.55 H new ATOM 0 HA SER A 47 -0.873 8.608 2.705 1.00 0.54 H new ATOM 0 HB2 SER A 47 -3.031 9.169 3.807 1.00 0.68 H new ATOM 0 HB3 SER A 47 -1.728 10.262 4.229 1.00 0.68 H new ATOM 0 HG SER A 47 -3.688 11.389 3.718 1.00 1.33 H new ATOM 365 N ILE A 48 -2.684 7.434 1.372 1.00 0.45 N ATOM 366 CA ILE A 48 -3.415 6.688 0.354 1.00 0.45 C ATOM 367 C ILE A 48 -4.833 6.375 0.818 1.00 0.47 C ATOM 368 O ILE A 48 -5.039 5.962 1.962 1.00 0.52 O ATOM 369 CB ILE A 48 -2.694 5.367 -0.002 1.00 0.51 C ATOM 370 CG1 ILE A 48 -1.235 5.631 -0.392 1.00 0.67 C ATOM 371 CG2 ILE A 48 -3.421 4.649 -1.131 1.00 1.11 C ATOM 372 CD1 ILE A 48 -1.076 6.532 -1.598 1.00 0.74 C ATOM 0 H ILE A 48 -2.425 6.889 2.195 1.00 0.45 H new ATOM 0 HA ILE A 48 -3.458 7.318 -0.534 1.00 0.45 H new ATOM 0 HB ILE A 48 -2.703 4.727 0.881 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.718 6.081 0.456 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -0.745 4.679 -0.595 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.899 3.722 -1.368 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -4.441 4.422 -0.821 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.444 5.288 -2.014 1.00 1.11 H new ATOM 0 HD11 ILE A 48 -0.016 6.671 -1.811 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -1.562 6.075 -2.460 1.00 0.74 H new ATOM 0 HD13 ILE A 48 -1.535 7.499 -1.393 1.00 0.74 H new ATOM 384 N ASP A 49 -5.797 6.570 -0.075 1.00 0.50 N ATOM 385 CA ASP A 49 -7.192 6.254 0.199 1.00 0.57 C ATOM 386 C ASP A 49 -7.561 4.965 -0.533 1.00 0.54 C ATOM 387 O ASP A 49 -6.832 4.525 -1.425 1.00 0.51 O ATOM 388 CB ASP A 49 -8.087 7.422 -0.250 1.00 0.71 C ATOM 389 CG ASP A 49 -9.572 7.141 -0.133 1.00 0.87 C ATOM 390 OD1 ASP A 49 -10.133 7.318 0.964 1.00 1.51 O ATOM 391 OD2 ASP A 49 -10.190 6.755 -1.154 1.00 0.87 O ATOM 0 H ASP A 49 -5.633 6.951 -1.007 1.00 0.50 H new ATOM 0 HA ASP A 49 -7.342 6.106 1.268 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -7.846 8.301 0.347 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.855 7.667 -1.286 1.00 0.71 H new ATOM 396 N TYR A 50 -8.683 4.358 -0.161 1.00 0.63 N ATOM 397 CA TYR A 50 -9.094 3.078 -0.732 1.00 0.68 C ATOM 398 C TYR A 50 -9.388 3.178 -2.230 1.00 0.67 C ATOM 399 O TYR A 50 -9.513 2.157 -2.913 1.00 0.75 O ATOM 400 CB TYR A 50 -10.309 2.518 0.019 1.00 0.88 C ATOM 401 CG TYR A 50 -11.385 3.540 0.333 1.00 1.36 C ATOM 402 CD1 TYR A 50 -12.292 3.956 -0.635 1.00 1.73 C ATOM 403 CD2 TYR A 50 -11.498 4.081 1.610 1.00 1.76 C ATOM 404 CE1 TYR A 50 -13.278 4.878 -0.340 1.00 2.37 C ATOM 405 CE2 TYR A 50 -12.479 5.005 1.909 1.00 2.45 C ATOM 406 CZ TYR A 50 -13.366 5.399 0.933 1.00 2.72 C ATOM 407 OH TYR A 50 -14.348 6.313 1.234 1.00 3.44 O ATOM 0 H TYR A 50 -9.327 4.733 0.536 1.00 0.63 H new ATOM 0 HA TYR A 50 -8.256 2.391 -0.614 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -10.749 1.718 -0.575 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.968 2.071 0.953 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -12.225 3.552 -1.634 1.00 1.73 H new ATOM 0 HD2 TYR A 50 -10.807 3.773 2.380 1.00 1.76 H new ATOM 0 HE1 TYR A 50 -13.976 5.189 -1.103 1.00 2.37 H new ATOM 0 HE2 TYR A 50 -12.550 5.417 2.905 1.00 2.45 H new ATOM 0 HH TYR A 50 -14.270 6.579 2.174 1.00 3.44 H new ATOM 417 N HIS A 51 -9.507 4.397 -2.739 1.00 0.68 N ATOM 418 CA HIS A 51 -9.717 4.610 -4.163 1.00 0.81 C ATOM 419 C HIS A 51 -8.454 4.276 -4.958 1.00 0.70 C ATOM 420 O HIS A 51 -8.455 3.363 -5.785 1.00 0.73 O ATOM 421 CB HIS A 51 -10.154 6.056 -4.425 1.00 1.08 C ATOM 422 CG HIS A 51 -10.272 6.409 -5.878 1.00 1.40 C ATOM 423 ND1 HIS A 51 -11.354 6.054 -6.654 1.00 2.17 N ATOM 424 CD2 HIS A 51 -9.433 7.086 -6.694 1.00 1.97 C ATOM 425 CE1 HIS A 51 -11.177 6.503 -7.883 1.00 2.73 C ATOM 426 NE2 HIS A 51 -10.018 7.131 -7.933 1.00 2.56 N ATOM 0 H HIS A 51 -9.462 5.253 -2.186 1.00 0.68 H new ATOM 0 HA HIS A 51 -10.510 3.941 -4.496 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -11.116 6.226 -3.942 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -9.438 6.731 -3.956 1.00 1.08 H new ATOM 0 HD2 HIS A 51 -8.479 7.512 -6.420 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -11.864 6.378 -8.707 1.00 2.73 H new ATOM 0 HE2 HIS A 51 -9.621 7.578 -8.760 1.00 2.56 H new ATOM 435 N GLU A 52 -7.374 5.002 -4.696 1.00 0.68 N ATOM 436 CA GLU A 52 -6.136 4.820 -5.448 1.00 0.69 C ATOM 437 C GLU A 52 -5.278 3.711 -4.853 1.00 0.55 C ATOM 438 O GLU A 52 -4.242 3.354 -5.417 1.00 0.56 O ATOM 439 CB GLU A 52 -5.330 6.125 -5.556 1.00 0.92 C ATOM 440 CG GLU A 52 -5.249 6.934 -4.271 1.00 0.72 C ATOM 441 CD GLU A 52 -6.533 7.679 -3.978 1.00 0.85 C ATOM 442 OE1 GLU A 52 -6.795 8.710 -4.630 1.00 1.21 O ATOM 443 OE2 GLU A 52 -7.297 7.220 -3.113 1.00 1.19 O ATOM 0 H GLU A 52 -7.329 5.719 -3.972 1.00 0.68 H new ATOM 0 HA GLU A 52 -6.425 4.524 -6.456 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -4.318 5.884 -5.881 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -5.775 6.747 -6.333 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -5.020 6.268 -3.439 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -4.427 7.646 -4.344 1.00 0.72 H new ATOM 450 N LEU A 53 -5.709 3.156 -3.721 1.00 0.51 N ATOM 451 CA LEU A 53 -5.059 1.973 -3.168 1.00 0.48 C ATOM 452 C LEU A 53 -5.131 0.848 -4.189 1.00 0.42 C ATOM 453 O LEU A 53 -4.204 0.056 -4.324 1.00 0.44 O ATOM 454 CB LEU A 53 -5.723 1.535 -1.858 1.00 0.55 C ATOM 455 CG LEU A 53 -5.025 0.385 -1.125 1.00 0.59 C ATOM 456 CD1 LEU A 53 -3.615 0.785 -0.717 1.00 1.23 C ATOM 457 CD2 LEU A 53 -5.836 -0.039 0.090 1.00 1.41 C ATOM 0 H LEU A 53 -6.497 3.503 -3.175 1.00 0.51 H new ATOM 0 HA LEU A 53 -4.019 2.214 -2.948 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -5.772 2.394 -1.189 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -6.750 1.238 -2.071 1.00 0.55 H new ATOM 0 HG LEU A 53 -4.953 -0.464 -1.805 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -3.137 -0.046 -0.198 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -3.037 1.038 -1.606 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -3.659 1.649 -0.054 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -5.327 -0.857 0.600 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -5.939 0.805 0.771 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -6.824 -0.370 -0.230 1.00 1.41 H new ATOM 469 N LYS A 54 -6.239 0.812 -4.924 1.00 0.44 N ATOM 470 CA LYS A 54 -6.434 -0.175 -5.974 1.00 0.47 C ATOM 471 C LYS A 54 -5.338 -0.045 -7.024 1.00 0.45 C ATOM 472 O LYS A 54 -4.749 -1.038 -7.443 1.00 0.55 O ATOM 473 CB LYS A 54 -7.795 0.017 -6.640 1.00 0.59 C ATOM 474 CG LYS A 54 -8.183 -1.120 -7.572 1.00 1.36 C ATOM 475 CD LYS A 54 -9.245 -0.688 -8.574 1.00 1.61 C ATOM 476 CE LYS A 54 -10.439 -0.033 -7.897 1.00 1.79 C ATOM 477 NZ LYS A 54 -11.416 0.483 -8.889 1.00 2.47 N ATOM 0 H LYS A 54 -7.018 1.460 -4.808 1.00 0.44 H new ATOM 0 HA LYS A 54 -6.392 -1.167 -5.524 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -8.557 0.118 -5.867 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -7.786 0.950 -7.203 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -7.300 -1.471 -8.106 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -8.556 -1.960 -6.986 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -8.807 0.009 -9.288 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -9.582 -1.556 -9.141 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -10.929 -0.756 -7.245 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -10.095 0.786 -7.265 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -12.216 0.923 -8.392 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -10.954 1.191 -9.495 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -11.763 -0.303 -9.476 1.00 2.47 H new ATOM 491 N VAL A 55 -5.062 1.192 -7.429 1.00 0.44 N ATOM 492 CA VAL A 55 -4.034 1.471 -8.425 1.00 0.48 C ATOM 493 C VAL A 55 -2.681 0.977 -7.936 1.00 0.46 C ATOM 494 O VAL A 55 -1.932 0.346 -8.683 1.00 0.50 O ATOM 495 CB VAL A 55 -3.946 2.980 -8.739 1.00 0.60 C ATOM 496 CG1 VAL A 55 -2.887 3.253 -9.797 1.00 1.21 C ATOM 497 CG2 VAL A 55 -5.298 3.519 -9.180 1.00 1.16 C ATOM 0 H VAL A 55 -5.541 2.022 -7.079 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.310 0.945 -9.339 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.654 3.498 -7.826 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -2.844 4.323 -10.001 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -1.916 2.913 -9.436 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -3.141 2.719 -10.713 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -5.212 4.584 -9.396 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -5.625 2.992 -10.076 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -6.027 3.368 -8.384 1.00 1.16 H new ATOM 507 N ALA A 56 -2.388 1.255 -6.671 1.00 0.46 N ATOM 508 CA ALA A 56 -1.161 0.787 -6.044 1.00 0.51 C ATOM 509 C ALA A 56 -1.086 -0.734 -6.087 1.00 0.49 C ATOM 510 O ALA A 56 -0.081 -1.313 -6.502 1.00 0.58 O ATOM 511 CB ALA A 56 -1.088 1.275 -4.604 1.00 0.55 C ATOM 0 H ALA A 56 -2.989 1.806 -6.057 1.00 0.46 H new ATOM 0 HA ALA A 56 -0.313 1.192 -6.597 1.00 0.51 H new ATOM 0 HB1 ALA A 56 -0.166 0.919 -4.145 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -1.104 2.365 -4.588 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -1.942 0.892 -4.046 1.00 0.55 H new ATOM 517 N MET A 57 -2.175 -1.364 -5.665 1.00 0.44 N ATOM 518 CA MET A 57 -2.280 -2.818 -5.643 1.00 0.49 C ATOM 519 C MET A 57 -2.063 -3.409 -7.033 1.00 0.48 C ATOM 520 O MET A 57 -1.363 -4.409 -7.190 1.00 0.55 O ATOM 521 CB MET A 57 -3.651 -3.233 -5.101 1.00 0.59 C ATOM 522 CG MET A 57 -3.887 -2.817 -3.659 1.00 0.70 C ATOM 523 SD MET A 57 -2.876 -3.736 -2.488 1.00 1.75 S ATOM 524 CE MET A 57 -3.707 -5.318 -2.540 1.00 1.48 C ATOM 0 H MET A 57 -3.009 -0.883 -5.329 1.00 0.44 H new ATOM 0 HA MET A 57 -1.500 -3.206 -4.988 1.00 0.49 H new ATOM 0 HB2 MET A 57 -4.428 -2.796 -5.728 1.00 0.59 H new ATOM 0 HB3 MET A 57 -3.751 -4.316 -5.179 1.00 0.59 H new ATOM 0 HG2 MET A 57 -3.677 -1.752 -3.555 1.00 0.70 H new ATOM 0 HG3 MET A 57 -4.939 -2.960 -3.413 1.00 0.70 H new ATOM 0 HE1 MET A 57 -3.004 -6.107 -2.272 1.00 1.48 H new ATOM 0 HE2 MET A 57 -4.537 -5.316 -1.834 1.00 1.48 H new ATOM 0 HE3 MET A 57 -4.086 -5.497 -3.546 1.00 1.48 H new ATOM 534 N ARG A 58 -2.652 -2.779 -8.043 1.00 0.48 N ATOM 535 CA ARG A 58 -2.528 -3.261 -9.415 1.00 0.55 C ATOM 536 C ARG A 58 -1.092 -3.138 -9.911 1.00 0.59 C ATOM 537 O ARG A 58 -0.532 -4.102 -10.438 1.00 0.68 O ATOM 538 CB ARG A 58 -3.465 -2.498 -10.358 1.00 0.68 C ATOM 539 CG ARG A 58 -4.941 -2.663 -10.037 1.00 1.10 C ATOM 540 CD ARG A 58 -5.329 -4.124 -9.874 1.00 1.25 C ATOM 541 NE ARG A 58 -5.085 -4.919 -11.082 1.00 1.66 N ATOM 542 CZ ARG A 58 -5.581 -6.143 -11.276 1.00 2.15 C ATOM 543 NH1 ARG A 58 -6.359 -6.701 -10.356 1.00 2.27 N ATOM 544 NH2 ARG A 58 -5.304 -6.809 -12.392 1.00 2.97 N ATOM 0 H ARG A 58 -3.218 -1.937 -7.939 1.00 0.48 H new ATOM 0 HA ARG A 58 -2.813 -4.313 -9.414 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -3.213 -1.438 -10.323 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -3.287 -2.834 -11.379 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -5.175 -2.121 -9.121 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -5.537 -2.216 -10.833 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -4.768 -4.553 -9.044 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -6.385 -4.187 -9.611 1.00 1.25 H new ATOM 0 HE ARG A 58 -4.503 -4.514 -11.815 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -6.579 -6.194 -9.499 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -6.737 -7.636 -10.507 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -4.710 -6.385 -13.105 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -5.685 -7.744 -12.536 1.00 2.97 H new ATOM 558 N ALA A 59 -0.501 -1.957 -9.727 1.00 0.60 N ATOM 559 CA ALA A 59 0.865 -1.690 -10.180 1.00 0.72 C ATOM 560 C ALA A 59 1.839 -2.725 -9.626 1.00 0.73 C ATOM 561 O ALA A 59 2.665 -3.268 -10.361 1.00 0.84 O ATOM 562 CB ALA A 59 1.290 -0.287 -9.778 1.00 0.81 C ATOM 0 H ALA A 59 -0.950 -1.166 -9.265 1.00 0.60 H new ATOM 0 HA ALA A 59 0.883 -1.762 -11.267 1.00 0.72 H new ATOM 0 HB1 ALA A 59 2.308 -0.103 -10.122 1.00 0.81 H new ATOM 0 HB2 ALA A 59 0.617 0.441 -10.231 1.00 0.81 H new ATOM 0 HB3 ALA A 59 1.251 -0.192 -8.693 1.00 0.81 H new ATOM 568 N LEU A 60 1.732 -2.991 -8.330 1.00 0.68 N ATOM 569 CA LEU A 60 2.528 -4.032 -7.691 1.00 0.78 C ATOM 570 C LEU A 60 2.232 -5.394 -8.303 1.00 0.78 C ATOM 571 O LEU A 60 3.136 -6.095 -8.766 1.00 0.96 O ATOM 572 CB LEU A 60 2.226 -4.089 -6.200 1.00 0.80 C ATOM 573 CG LEU A 60 3.055 -3.172 -5.304 1.00 0.95 C ATOM 574 CD1 LEU A 60 2.898 -1.706 -5.689 1.00 1.82 C ATOM 575 CD2 LEU A 60 2.649 -3.393 -3.864 1.00 1.32 C ATOM 0 H LEU A 60 1.100 -2.499 -7.699 1.00 0.68 H new ATOM 0 HA LEU A 60 3.579 -3.788 -7.847 1.00 0.78 H new ATOM 0 HB2 LEU A 60 1.173 -3.847 -6.055 1.00 0.80 H new ATOM 0 HB3 LEU A 60 2.367 -5.116 -5.862 1.00 0.80 H new ATOM 0 HG LEU A 60 4.108 -3.420 -5.434 1.00 0.95 H new ATOM 0 HD11 LEU A 60 3.505 -1.089 -5.026 1.00 1.82 H new ATOM 0 HD12 LEU A 60 3.226 -1.563 -6.719 1.00 1.82 H new ATOM 0 HD13 LEU A 60 1.851 -1.416 -5.598 1.00 1.82 H new ATOM 0 HD21 LEU A 60 3.236 -2.742 -3.216 1.00 1.32 H new ATOM 0 HD22 LEU A 60 1.590 -3.164 -3.745 1.00 1.32 H new ATOM 0 HD23 LEU A 60 2.828 -4.433 -3.591 1.00 1.32 H new ATOM 587 N GLY A 61 0.959 -5.757 -8.301 1.00 0.68 N ATOM 588 CA GLY A 61 0.556 -7.046 -8.812 1.00 0.72 C ATOM 589 C GLY A 61 -0.403 -7.771 -7.890 1.00 0.75 C ATOM 590 O GLY A 61 -0.134 -8.888 -7.450 1.00 0.96 O ATOM 0 H GLY A 61 0.196 -5.177 -7.952 1.00 0.68 H new ATOM 0 HA2 GLY A 61 0.086 -6.914 -9.787 1.00 0.72 H new ATOM 0 HA3 GLY A 61 1.441 -7.663 -8.966 1.00 0.72 H new ATOM 594 N PHE A 62 -1.530 -7.139 -7.597 1.00 0.72 N ATOM 595 CA PHE A 62 -2.533 -7.735 -6.729 1.00 0.80 C ATOM 596 C PHE A 62 -3.909 -7.720 -7.369 1.00 0.89 C ATOM 597 O PHE A 62 -4.336 -6.708 -7.932 1.00 1.01 O ATOM 598 CB PHE A 62 -2.632 -6.987 -5.405 1.00 0.78 C ATOM 599 CG PHE A 62 -1.416 -7.056 -4.536 1.00 0.80 C ATOM 600 CD1 PHE A 62 -1.031 -8.250 -3.952 1.00 0.97 C ATOM 601 CD2 PHE A 62 -0.676 -5.918 -4.285 1.00 0.80 C ATOM 602 CE1 PHE A 62 0.077 -8.303 -3.132 1.00 1.08 C ATOM 603 CE2 PHE A 62 0.427 -5.962 -3.466 1.00 0.91 C ATOM 604 CZ PHE A 62 0.808 -7.156 -2.889 1.00 1.03 C ATOM 0 H PHE A 62 -1.772 -6.213 -7.948 1.00 0.72 H new ATOM 0 HA PHE A 62 -2.215 -8.764 -6.560 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -2.849 -5.940 -5.614 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -3.480 -7.383 -4.846 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -1.602 -9.147 -4.140 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -0.967 -4.982 -4.738 1.00 0.80 H new ATOM 0 HE1 PHE A 62 0.372 -9.239 -2.681 1.00 1.08 H new ATOM 0 HE2 PHE A 62 0.995 -5.063 -3.274 1.00 0.91 H new ATOM 0 HZ PHE A 62 1.677 -7.194 -2.248 1.00 1.03 H new ATOM 614 N ASP A 63 -4.602 -8.838 -7.266 1.00 1.21 N ATOM 615 CA ASP A 63 -6.012 -8.895 -7.598 1.00 1.42 C ATOM 616 C ASP A 63 -6.780 -9.343 -6.362 1.00 1.36 C ATOM 617 O ASP A 63 -6.971 -10.534 -6.130 1.00 1.98 O ATOM 618 CB ASP A 63 -6.275 -9.845 -8.768 1.00 1.81 C ATOM 619 CG ASP A 63 -7.693 -9.730 -9.290 1.00 2.36 C ATOM 620 OD1 ASP A 63 -7.952 -8.847 -10.137 1.00 2.85 O ATOM 621 OD2 ASP A 63 -8.555 -10.515 -8.866 1.00 2.74 O ATOM 0 H ASP A 63 -4.207 -9.725 -6.953 1.00 1.21 H new ATOM 0 HA ASP A 63 -6.347 -7.906 -7.910 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -5.574 -9.629 -9.574 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -6.089 -10.871 -8.450 1.00 1.81 H new ATOM 626 N VAL A 64 -7.168 -8.377 -5.543 1.00 0.90 N ATOM 627 CA VAL A 64 -7.747 -8.662 -4.234 1.00 0.93 C ATOM 628 C VAL A 64 -9.244 -8.397 -4.200 1.00 0.86 C ATOM 629 O VAL A 64 -9.942 -8.872 -3.303 1.00 0.95 O ATOM 630 CB VAL A 64 -7.052 -7.827 -3.142 1.00 1.16 C ATOM 631 CG1 VAL A 64 -5.621 -8.296 -2.960 1.00 1.35 C ATOM 632 CG2 VAL A 64 -7.089 -6.347 -3.492 1.00 1.33 C ATOM 0 H VAL A 64 -7.093 -7.383 -5.761 1.00 0.90 H new ATOM 0 HA VAL A 64 -7.588 -9.723 -4.041 1.00 0.93 H new ATOM 0 HB VAL A 64 -7.588 -7.966 -2.203 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -5.138 -7.699 -2.186 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -5.617 -9.345 -2.665 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -5.078 -8.181 -3.898 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -6.593 -5.775 -2.708 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -6.576 -6.184 -4.440 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -8.125 -6.020 -3.580 1.00 1.33 H new ATOM 642 N LYS A 65 -9.729 -7.642 -5.185 1.00 0.88 N ATOM 643 CA LYS A 65 -11.139 -7.254 -5.248 1.00 0.94 C ATOM 644 C LYS A 65 -11.496 -6.434 -4.009 1.00 0.80 C ATOM 645 O LYS A 65 -10.608 -5.973 -3.299 1.00 0.74 O ATOM 646 CB LYS A 65 -12.046 -8.490 -5.364 1.00 1.18 C ATOM 647 CG LYS A 65 -11.596 -9.532 -6.395 1.00 1.54 C ATOM 648 CD LYS A 65 -11.645 -9.030 -7.837 1.00 1.58 C ATOM 649 CE LYS A 65 -10.521 -8.051 -8.145 1.00 1.75 C ATOM 650 NZ LYS A 65 -10.388 -7.783 -9.599 1.00 2.52 N ATOM 0 H LYS A 65 -9.163 -7.285 -5.955 1.00 0.88 H new ATOM 0 HA LYS A 65 -11.299 -6.645 -6.138 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -12.106 -8.970 -4.387 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -13.053 -8.160 -5.620 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -10.578 -9.844 -6.163 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -12.228 -10.415 -6.305 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -11.581 -9.879 -8.518 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -12.605 -8.547 -8.019 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -10.705 -7.113 -7.621 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -9.581 -8.450 -7.764 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -9.423 -8.016 -9.908 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -11.070 -8.368 -10.124 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -10.578 -6.778 -9.786 1.00 2.52 H new ATOM 664 N LYS A 66 -12.783 -6.253 -3.745 1.00 0.87 N ATOM 665 CA LYS A 66 -13.215 -5.442 -2.606 1.00 0.86 C ATOM 666 C LYS A 66 -12.876 -6.091 -1.251 1.00 0.77 C ATOM 667 O LYS A 66 -12.219 -5.454 -0.429 1.00 0.71 O ATOM 668 CB LYS A 66 -14.711 -5.123 -2.691 1.00 1.09 C ATOM 669 CG LYS A 66 -15.046 -4.059 -3.727 1.00 1.44 C ATOM 670 CD LYS A 66 -16.524 -3.710 -3.709 1.00 1.88 C ATOM 671 CE LYS A 66 -16.837 -2.532 -4.619 1.00 2.34 C ATOM 672 NZ LYS A 66 -16.194 -1.272 -4.143 1.00 2.94 N ATOM 0 H LYS A 66 -13.543 -6.651 -4.296 1.00 0.87 H new ATOM 0 HA LYS A 66 -12.654 -4.509 -2.662 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -15.256 -6.036 -2.930 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -15.060 -4.790 -1.713 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -14.457 -3.163 -3.533 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -14.767 -4.415 -4.719 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -17.106 -4.577 -4.023 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -16.829 -3.473 -2.690 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -16.495 -2.754 -5.630 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -17.917 -2.391 -4.671 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -16.637 -0.457 -4.614 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -16.317 -1.187 -3.114 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -15.179 -1.293 -4.369 1.00 2.94 H new ATOM 686 N PRO A 67 -13.296 -7.356 -0.993 1.00 0.88 N ATOM 687 CA PRO A 67 -13.115 -8.003 0.321 1.00 0.94 C ATOM 688 C PRO A 67 -11.680 -7.944 0.840 1.00 0.86 C ATOM 689 O PRO A 67 -11.432 -7.546 1.980 1.00 0.89 O ATOM 690 CB PRO A 67 -13.516 -9.455 0.066 1.00 1.14 C ATOM 691 CG PRO A 67 -14.460 -9.387 -1.077 1.00 1.21 C ATOM 692 CD PRO A 67 -13.975 -8.261 -1.945 1.00 1.05 C ATOM 0 HA PRO A 67 -13.706 -7.499 1.085 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -12.648 -10.070 -0.173 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -13.988 -9.896 0.944 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -14.474 -10.327 -1.628 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -15.478 -9.204 -0.733 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -13.293 -8.616 -2.717 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -14.800 -7.762 -2.453 1.00 1.05 H new ATOM 700 N GLU A 68 -10.732 -8.321 0.001 1.00 0.82 N ATOM 701 CA GLU A 68 -9.345 -8.399 0.430 1.00 0.81 C ATOM 702 C GLU A 68 -8.690 -7.019 0.456 1.00 0.68 C ATOM 703 O GLU A 68 -7.640 -6.846 1.070 1.00 0.72 O ATOM 704 CB GLU A 68 -8.556 -9.323 -0.499 1.00 0.91 C ATOM 705 CG GLU A 68 -9.090 -10.744 -0.565 1.00 1.63 C ATOM 706 CD GLU A 68 -8.872 -11.519 0.718 1.00 1.76 C ATOM 707 OE1 GLU A 68 -9.706 -11.399 1.642 1.00 2.38 O ATOM 708 OE2 GLU A 68 -7.857 -12.237 0.817 1.00 1.77 O ATOM 0 H GLU A 68 -10.893 -8.576 -0.973 1.00 0.82 H new ATOM 0 HA GLU A 68 -9.334 -8.802 1.443 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -8.559 -8.899 -1.503 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -7.518 -9.352 -0.168 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -10.156 -10.715 -0.789 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -8.606 -11.270 -1.388 1.00 1.63 H new ATOM 715 N ILE A 69 -9.299 -6.031 -0.198 1.00 0.65 N ATOM 716 CA ILE A 69 -8.654 -4.731 -0.319 1.00 0.63 C ATOM 717 C ILE A 69 -9.078 -3.766 0.788 1.00 0.58 C ATOM 718 O ILE A 69 -8.255 -2.993 1.283 1.00 0.61 O ATOM 719 CB ILE A 69 -8.876 -4.079 -1.709 1.00 0.72 C ATOM 720 CG1 ILE A 69 -7.765 -3.071 -2.007 1.00 0.76 C ATOM 721 CG2 ILE A 69 -10.235 -3.394 -1.796 1.00 1.23 C ATOM 722 CD1 ILE A 69 -7.816 -2.520 -3.417 1.00 0.95 C ATOM 0 H ILE A 69 -10.215 -6.104 -0.641 1.00 0.65 H new ATOM 0 HA ILE A 69 -7.587 -4.927 -0.209 1.00 0.63 H new ATOM 0 HB ILE A 69 -8.851 -4.875 -2.454 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -7.834 -2.245 -1.299 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -6.798 -3.548 -1.846 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -10.355 -2.949 -2.784 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -11.024 -4.128 -1.630 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -10.299 -2.615 -1.036 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -7.000 -1.811 -3.560 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -7.716 -3.338 -4.131 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -8.768 -2.014 -3.576 1.00 0.95 H new ATOM 734 N LEU A 70 -10.346 -3.801 1.196 1.00 0.60 N ATOM 735 CA LEU A 70 -10.801 -2.853 2.201 1.00 0.63 C ATOM 736 C LEU A 70 -10.283 -3.258 3.572 1.00 0.63 C ATOM 737 O LEU A 70 -9.879 -2.407 4.362 1.00 0.68 O ATOM 738 CB LEU A 70 -12.346 -2.645 2.175 1.00 0.77 C ATOM 739 CG LEU A 70 -13.263 -3.651 2.917 1.00 0.82 C ATOM 740 CD1 LEU A 70 -13.017 -5.076 2.470 1.00 1.13 C ATOM 741 CD2 LEU A 70 -13.116 -3.535 4.427 1.00 1.08 C ATOM 0 H LEU A 70 -11.053 -4.454 0.857 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.381 -1.877 1.960 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -12.549 -1.655 2.583 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -12.656 -2.629 1.130 1.00 0.77 H new ATOM 0 HG LEU A 70 -14.288 -3.390 2.654 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -13.680 -5.748 3.015 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -13.213 -5.161 1.401 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -11.981 -5.347 2.672 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -13.774 -4.255 4.913 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -12.083 -3.739 4.709 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -13.386 -2.527 4.742 1.00 1.08 H new ATOM 753 N GLU A 71 -10.259 -4.560 3.847 1.00 0.64 N ATOM 754 CA GLU A 71 -9.807 -5.039 5.139 1.00 0.70 C ATOM 755 C GLU A 71 -8.304 -4.878 5.225 1.00 0.65 C ATOM 756 O GLU A 71 -7.753 -4.639 6.295 1.00 0.70 O ATOM 757 CB GLU A 71 -10.217 -6.498 5.348 1.00 0.85 C ATOM 758 CG GLU A 71 -10.626 -6.821 6.782 1.00 1.17 C ATOM 759 CD GLU A 71 -9.483 -6.740 7.776 1.00 1.22 C ATOM 760 OE1 GLU A 71 -9.220 -5.632 8.284 1.00 1.66 O ATOM 761 OE2 GLU A 71 -8.829 -7.771 8.033 1.00 1.61 O ATOM 0 H GLU A 71 -10.545 -5.291 3.196 1.00 0.64 H new ATOM 0 HA GLU A 71 -10.275 -4.453 5.930 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -11.047 -6.732 4.681 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -9.387 -7.144 5.062 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -11.413 -6.132 7.090 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -11.051 -7.824 6.812 1.00 1.17 H new ATOM 768 N LEU A 72 -7.654 -4.959 4.070 1.00 0.62 N ATOM 769 CA LEU A 72 -6.226 -4.733 3.984 1.00 0.68 C ATOM 770 C LEU A 72 -5.876 -3.401 4.630 1.00 0.67 C ATOM 771 O LEU A 72 -4.943 -3.299 5.423 1.00 0.74 O ATOM 772 CB LEU A 72 -5.777 -4.758 2.515 1.00 0.74 C ATOM 773 CG LEU A 72 -4.267 -4.662 2.249 1.00 0.92 C ATOM 774 CD1 LEU A 72 -3.961 -5.164 0.853 1.00 1.07 C ATOM 775 CD2 LEU A 72 -3.763 -3.232 2.386 1.00 1.01 C ATOM 0 H LEU A 72 -8.100 -5.181 3.180 1.00 0.62 H new ATOM 0 HA LEU A 72 -5.703 -5.527 4.517 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -6.143 -5.680 2.064 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -6.266 -3.933 1.996 1.00 0.74 H new ATOM 0 HG LEU A 72 -3.759 -5.277 2.992 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -2.889 -5.094 0.668 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -4.278 -6.203 0.762 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -4.495 -4.556 0.123 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -2.691 -3.204 2.191 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -4.279 -2.594 1.669 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -3.957 -2.873 3.397 1.00 1.01 H new ATOM 787 N MET A 73 -6.650 -2.381 4.316 1.00 0.70 N ATOM 788 CA MET A 73 -6.361 -1.063 4.834 1.00 0.82 C ATOM 789 C MET A 73 -7.094 -0.850 6.146 1.00 0.85 C ATOM 790 O MET A 73 -6.737 0.018 6.919 1.00 1.02 O ATOM 791 CB MET A 73 -6.729 0.032 3.833 1.00 0.96 C ATOM 792 CG MET A 73 -8.218 0.307 3.726 1.00 0.98 C ATOM 793 SD MET A 73 -8.556 1.820 2.821 1.00 1.29 S ATOM 794 CE MET A 73 -7.597 2.987 3.789 1.00 0.76 C ATOM 0 H MET A 73 -7.471 -2.439 3.714 1.00 0.70 H new ATOM 0 HA MET A 73 -5.287 -0.999 5.007 1.00 0.82 H new ATOM 0 HB2 MET A 73 -6.221 0.953 4.117 1.00 0.96 H new ATOM 0 HB3 MET A 73 -6.352 -0.249 2.850 1.00 0.96 H new ATOM 0 HG2 MET A 73 -8.707 -0.531 3.228 1.00 0.98 H new ATOM 0 HG3 MET A 73 -8.647 0.378 4.726 1.00 0.98 H new ATOM 0 HE1 MET A 73 -8.112 3.947 3.816 1.00 0.76 H new ATOM 0 HE2 MET A 73 -7.481 2.608 4.805 1.00 0.76 H new ATOM 0 HE3 MET A 73 -6.614 3.115 3.335 1.00 0.76 H new ATOM 804 N ASN A 74 -8.108 -1.660 6.398 1.00 0.82 N ATOM 805 CA ASN A 74 -8.867 -1.566 7.636 1.00 0.94 C ATOM 806 C ASN A 74 -8.024 -2.040 8.817 1.00 0.92 C ATOM 807 O ASN A 74 -8.084 -1.462 9.904 1.00 1.00 O ATOM 808 CB ASN A 74 -10.165 -2.371 7.520 1.00 1.05 C ATOM 809 CG ASN A 74 -10.848 -2.591 8.856 1.00 1.26 C ATOM 810 OD1 ASN A 74 -11.583 -1.736 9.345 1.00 1.62 O ATOM 811 ND2 ASN A 74 -10.628 -3.754 9.432 1.00 1.88 N ATOM 0 H ASN A 74 -8.426 -2.391 5.762 1.00 0.82 H new ATOM 0 HA ASN A 74 -9.129 -0.523 7.813 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -10.850 -1.851 6.850 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -9.947 -3.338 7.066 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -11.076 -3.976 10.321 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -10.010 -4.434 8.989 1.00 1.88 H new ATOM 818 N GLU A 75 -7.244 -3.096 8.610 1.00 0.88 N ATOM 819 CA GLU A 75 -6.306 -3.558 9.630 1.00 0.95 C ATOM 820 C GLU A 75 -5.156 -2.563 9.835 1.00 0.85 C ATOM 821 O GLU A 75 -4.661 -2.409 10.952 1.00 0.90 O ATOM 822 CB GLU A 75 -5.749 -4.943 9.282 1.00 1.07 C ATOM 823 CG GLU A 75 -5.050 -5.014 7.935 1.00 1.66 C ATOM 824 CD GLU A 75 -4.425 -6.368 7.666 1.00 2.20 C ATOM 825 OE1 GLU A 75 -5.132 -7.261 7.161 1.00 2.59 O ATOM 826 OE2 GLU A 75 -3.226 -6.549 7.960 1.00 2.73 O ATOM 0 H GLU A 75 -7.241 -3.646 7.751 1.00 0.88 H new ATOM 0 HA GLU A 75 -6.862 -3.630 10.565 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -5.047 -5.245 10.059 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -6.566 -5.664 9.293 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -5.768 -4.788 7.146 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -4.276 -4.247 7.892 1.00 1.66 H new ATOM 833 N TYR A 76 -4.727 -1.889 8.767 1.00 0.80 N ATOM 834 CA TYR A 76 -3.606 -0.948 8.869 1.00 0.80 C ATOM 835 C TYR A 76 -4.051 0.456 9.273 1.00 0.84 C ATOM 836 O TYR A 76 -3.312 1.171 9.954 1.00 1.09 O ATOM 837 CB TYR A 76 -2.806 -0.897 7.564 1.00 0.81 C ATOM 838 CG TYR A 76 -1.904 -2.094 7.381 1.00 0.80 C ATOM 839 CD1 TYR A 76 -0.680 -2.170 8.023 1.00 1.28 C ATOM 840 CD2 TYR A 76 -2.272 -3.139 6.541 1.00 1.22 C ATOM 841 CE1 TYR A 76 0.158 -3.254 7.838 1.00 1.65 C ATOM 842 CE2 TYR A 76 -1.440 -4.223 6.345 1.00 1.44 C ATOM 843 CZ TYR A 76 -0.260 -4.318 7.091 1.00 1.51 C ATOM 844 OH TYR A 76 0.615 -5.349 6.783 1.00 1.98 O ATOM 0 H TYR A 76 -5.130 -1.973 7.834 1.00 0.80 H new ATOM 0 HA TYR A 76 -2.961 -1.324 9.663 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -3.496 -0.837 6.723 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -2.204 0.011 7.548 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -0.374 -1.369 8.680 1.00 1.28 H new ATOM 0 HD2 TYR A 76 -3.225 -3.102 6.033 1.00 1.22 H new ATOM 0 HE1 TYR A 76 1.142 -3.259 8.284 1.00 1.65 H new ATOM 0 HE2 TYR A 76 -1.696 -4.987 5.626 1.00 1.44 H new ATOM 0 HH TYR A 76 0.286 -5.833 5.997 1.00 1.98 H new ATOM 854 N ASP A 77 -5.244 0.861 8.855 1.00 0.72 N ATOM 855 CA ASP A 77 -5.761 2.175 9.218 1.00 0.83 C ATOM 856 C ASP A 77 -6.238 2.179 10.662 1.00 1.13 C ATOM 857 O ASP A 77 -7.323 1.698 10.993 1.00 1.71 O ATOM 858 CB ASP A 77 -6.877 2.641 8.267 1.00 0.91 C ATOM 859 CG ASP A 77 -7.536 3.942 8.716 1.00 1.10 C ATOM 860 OD1 ASP A 77 -6.851 4.788 9.329 1.00 1.44 O ATOM 861 OD2 ASP A 77 -8.753 4.114 8.466 1.00 1.63 O ATOM 0 H ASP A 77 -5.867 0.304 8.270 1.00 0.72 H new ATOM 0 HA ASP A 77 -4.942 2.888 9.119 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.463 2.776 7.268 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -7.635 1.861 8.196 1.00 0.91 H new ATOM 866 N ARG A 78 -5.350 2.656 11.511 1.00 1.55 N ATOM 867 CA ARG A 78 -5.620 2.958 12.913 1.00 2.00 C ATOM 868 C ARG A 78 -6.817 3.910 13.085 1.00 1.95 C ATOM 869 O ARG A 78 -7.645 4.073 12.190 1.00 2.43 O ATOM 870 CB ARG A 78 -4.363 3.608 13.522 1.00 2.82 C ATOM 871 CG ARG A 78 -4.065 5.028 13.015 1.00 3.44 C ATOM 872 CD ARG A 78 -3.893 5.086 11.500 1.00 3.60 C ATOM 873 NE ARG A 78 -3.693 6.442 11.007 1.00 3.94 N ATOM 874 CZ ARG A 78 -2.721 6.787 10.165 1.00 4.74 C ATOM 875 NH1 ARG A 78 -1.865 5.869 9.721 1.00 5.29 N ATOM 876 NH2 ARG A 78 -2.599 8.049 9.763 1.00 5.31 N ATOM 0 H ARG A 78 -4.386 2.853 11.240 1.00 1.55 H new ATOM 0 HA ARG A 78 -5.870 2.026 13.420 1.00 2.00 H new ATOM 0 HB2 ARG A 78 -4.476 3.640 14.606 1.00 2.82 H new ATOM 0 HB3 ARG A 78 -3.503 2.973 13.310 1.00 2.82 H new ATOM 0 HG2 ARG A 78 -4.876 5.693 13.311 1.00 3.44 H new ATOM 0 HG3 ARG A 78 -3.159 5.398 13.494 1.00 3.44 H new ATOM 0 HD2 ARG A 78 -3.041 4.470 11.212 1.00 3.60 H new ATOM 0 HD3 ARG A 78 -4.773 4.656 11.022 1.00 3.60 H new ATOM 0 HE ARG A 78 -4.334 7.169 11.325 1.00 3.94 H new ATOM 0 HH11 ARG A 78 -1.953 4.900 10.026 1.00 5.29 H new ATOM 0 HH12 ARG A 78 -1.121 6.135 9.076 1.00 5.29 H new ATOM 0 HH21 ARG A 78 -3.252 8.757 10.100 1.00 5.31 H new ATOM 0 HH22 ARG A 78 -1.853 8.309 9.118 1.00 5.31 H new ATOM 890 N GLU A 79 -6.888 4.556 14.243 1.00 2.29 N ATOM 891 CA GLU A 79 -7.911 5.566 14.505 1.00 2.94 C ATOM 892 C GLU A 79 -7.596 6.883 13.791 1.00 3.08 C ATOM 893 O GLU A 79 -8.004 7.957 14.236 1.00 3.90 O ATOM 894 CB GLU A 79 -8.068 5.811 16.010 1.00 3.83 C ATOM 895 CG GLU A 79 -6.758 5.857 16.778 1.00 4.30 C ATOM 896 CD GLU A 79 -6.321 4.486 17.241 1.00 5.26 C ATOM 897 OE1 GLU A 79 -6.760 4.060 18.329 1.00 5.65 O ATOM 898 OE2 GLU A 79 -5.556 3.824 16.511 1.00 5.89 O ATOM 0 H GLU A 79 -6.247 4.398 15.020 1.00 2.29 H new ATOM 0 HA GLU A 79 -8.852 5.181 14.111 1.00 2.94 H new ATOM 0 HB2 GLU A 79 -8.596 6.753 16.159 1.00 3.83 H new ATOM 0 HB3 GLU A 79 -8.694 5.024 16.431 1.00 3.83 H new ATOM 0 HG2 GLU A 79 -5.983 6.290 16.146 1.00 4.30 H new ATOM 0 HG3 GLU A 79 -6.868 6.513 17.642 1.00 4.30 H new ATOM 905 N GLY A 80 -6.871 6.800 12.680 1.00 2.54 N ATOM 906 CA GLY A 80 -6.699 7.953 11.828 1.00 3.03 C ATOM 907 C GLY A 80 -7.929 8.116 10.983 1.00 2.53 C ATOM 908 O GLY A 80 -8.395 9.228 10.736 1.00 3.03 O ATOM 0 H GLY A 80 -6.401 5.954 12.358 1.00 2.54 H new ATOM 0 HA2 GLY A 80 -6.533 8.846 12.430 1.00 3.03 H new ATOM 0 HA3 GLY A 80 -5.820 7.828 11.196 1.00 3.03 H new ATOM 912 N ASN A 81 -8.450 6.969 10.560 1.00 1.95 N ATOM 913 CA ASN A 81 -9.747 6.860 9.913 1.00 2.28 C ATOM 914 C ASN A 81 -9.799 7.630 8.606 1.00 1.77 C ATOM 915 O ASN A 81 -10.083 8.831 8.583 1.00 2.29 O ATOM 916 CB ASN A 81 -10.874 7.323 10.844 1.00 3.16 C ATOM 917 CG ASN A 81 -10.987 6.489 12.110 1.00 4.17 C ATOM 918 OD1 ASN A 81 -10.648 5.307 12.127 1.00 4.83 O ATOM 919 ND2 ASN A 81 -11.479 7.098 13.179 1.00 4.72 N ATOM 0 H ASN A 81 -7.971 6.074 10.660 1.00 1.95 H new ATOM 0 HA ASN A 81 -9.894 5.804 9.685 1.00 2.28 H new ATOM 0 HB2 ASN A 81 -10.706 8.365 11.117 1.00 3.16 H new ATOM 0 HB3 ASN A 81 -11.821 7.284 10.305 1.00 3.16 H new ATOM 0 HD21 ASN A 81 -11.587 6.585 14.054 1.00 4.72 H new ATOM 0 HD22 ASN A 81 -11.750 8.080 13.127 1.00 4.72 H new ATOM 926 N GLY A 82 -9.514 6.939 7.522 1.00 1.33 N ATOM 927 CA GLY A 82 -9.612 7.546 6.217 1.00 1.30 C ATOM 928 C GLY A 82 -8.486 7.126 5.307 1.00 1.00 C ATOM 929 O GLY A 82 -8.721 6.598 4.223 1.00 1.04 O ATOM 0 H GLY A 82 -9.215 5.964 7.521 1.00 1.33 H new ATOM 0 HA2 GLY A 82 -10.565 7.274 5.762 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -9.607 8.631 6.322 1.00 1.30 H new ATOM 933 N TYR A 83 -7.258 7.341 5.752 1.00 0.83 N ATOM 934 CA TYR A 83 -6.102 7.024 4.932 1.00 0.60 C ATOM 935 C TYR A 83 -5.077 6.266 5.742 1.00 0.51 C ATOM 936 O TYR A 83 -5.135 6.224 6.969 1.00 0.62 O ATOM 937 CB TYR A 83 -5.420 8.273 4.376 1.00 0.66 C ATOM 938 CG TYR A 83 -6.348 9.317 3.804 1.00 0.95 C ATOM 939 CD1 TYR A 83 -6.761 9.257 2.480 1.00 1.52 C ATOM 940 CD2 TYR A 83 -6.827 10.352 4.594 1.00 1.22 C ATOM 941 CE1 TYR A 83 -7.622 10.200 1.960 1.00 2.23 C ATOM 942 CE2 TYR A 83 -7.693 11.297 4.083 1.00 1.81 C ATOM 943 CZ TYR A 83 -8.025 11.256 2.739 1.00 2.34 C ATOM 944 OH TYR A 83 -8.952 12.154 2.250 1.00 3.05 O ATOM 0 H TYR A 83 -7.038 7.730 6.669 1.00 0.83 H new ATOM 0 HA TYR A 83 -6.473 6.423 4.102 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -4.833 8.730 5.172 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -4.720 7.968 3.598 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -6.402 8.459 1.847 1.00 1.52 H new ATOM 0 HD2 TYR A 83 -6.517 10.419 5.626 1.00 1.22 H new ATOM 0 HE1 TYR A 83 -7.978 10.108 0.944 1.00 2.23 H new ATOM 0 HE2 TYR A 83 -8.108 12.061 4.724 1.00 1.81 H new ATOM 0 HH TYR A 83 -9.130 12.841 2.926 1.00 3.05 H new ATOM 954 N ILE A 84 -4.131 5.691 5.035 1.00 0.42 N ATOM 955 CA ILE A 84 -3.013 5.009 5.655 1.00 0.41 C ATOM 956 C ILE A 84 -1.754 5.854 5.518 1.00 0.38 C ATOM 957 O ILE A 84 -1.688 6.744 4.664 1.00 0.42 O ATOM 958 CB ILE A 84 -2.789 3.630 5.014 1.00 0.51 C ATOM 959 CG1 ILE A 84 -2.607 3.773 3.499 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.955 2.705 5.338 1.00 0.64 C ATOM 961 CD1 ILE A 84 -2.660 2.463 2.758 1.00 0.72 C ATOM 0 H ILE A 84 -4.113 5.682 4.015 1.00 0.42 H new ATOM 0 HA ILE A 84 -3.240 4.864 6.711 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.880 3.191 5.425 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -3.382 4.433 3.109 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -1.649 4.254 3.301 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -3.785 1.731 4.879 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -4.037 2.587 6.419 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.879 3.134 4.949 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -2.524 2.642 1.692 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -1.867 1.808 3.120 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -3.627 1.989 2.926 1.00 0.72 H new ATOM 973 N GLY A 85 -0.759 5.571 6.340 1.00 0.40 N ATOM 974 CA GLY A 85 0.464 6.343 6.311 1.00 0.42 C ATOM 975 C GLY A 85 1.578 5.591 5.623 1.00 0.37 C ATOM 976 O GLY A 85 1.452 4.394 5.370 1.00 0.37 O ATOM 0 H GLY A 85 -0.776 4.819 7.029 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.288 7.286 5.794 1.00 0.42 H new ATOM 0 HA3 GLY A 85 0.765 6.589 7.330 1.00 0.42 H new ATOM 980 N PHE A 86 2.655 6.294 5.294 1.00 0.38 N ATOM 981 CA PHE A 86 3.794 5.691 4.621 1.00 0.35 C ATOM 982 C PHE A 86 4.291 4.443 5.357 1.00 0.40 C ATOM 983 O PHE A 86 4.618 3.435 4.732 1.00 0.43 O ATOM 984 CB PHE A 86 4.928 6.711 4.493 1.00 0.39 C ATOM 985 CG PHE A 86 6.222 6.072 4.111 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.460 5.686 2.807 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.179 5.809 5.076 1.00 0.61 C ATOM 988 CE1 PHE A 86 7.628 5.053 2.472 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.353 5.183 4.744 1.00 0.71 C ATOM 990 CZ PHE A 86 8.580 4.798 3.440 1.00 0.65 C ATOM 0 H PHE A 86 2.761 7.290 5.485 1.00 0.38 H new ATOM 0 HA PHE A 86 3.468 5.383 3.627 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.660 7.458 3.746 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.050 7.237 5.440 1.00 0.39 H new ATOM 0 HD1 PHE A 86 5.720 5.884 2.046 1.00 0.48 H new ATOM 0 HD2 PHE A 86 6.999 6.100 6.100 1.00 0.61 H new ATOM 0 HE1 PHE A 86 7.805 4.753 1.450 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.098 4.992 5.502 1.00 0.71 H new ATOM 0 HZ PHE A 86 9.500 4.298 3.176 1.00 0.65 H new ATOM 1000 N ASP A 87 4.333 4.514 6.681 1.00 0.47 N ATOM 1001 CA ASP A 87 4.818 3.404 7.496 1.00 0.57 C ATOM 1002 C ASP A 87 3.928 2.174 7.326 1.00 0.56 C ATOM 1003 O ASP A 87 4.395 1.038 7.419 1.00 0.68 O ATOM 1004 CB ASP A 87 4.877 3.814 8.967 1.00 0.71 C ATOM 1005 CG ASP A 87 5.366 2.694 9.862 1.00 1.38 C ATOM 1006 OD1 ASP A 87 6.597 2.537 10.004 1.00 1.82 O ATOM 1007 OD2 ASP A 87 4.521 1.963 10.419 1.00 2.13 O ATOM 0 H ASP A 87 4.037 5.330 7.216 1.00 0.47 H new ATOM 0 HA ASP A 87 5.823 3.148 7.160 1.00 0.57 H new ATOM 0 HB2 ASP A 87 5.537 4.675 9.075 1.00 0.71 H new ATOM 0 HB3 ASP A 87 3.886 4.129 9.293 1.00 0.71 H new ATOM 1012 N ASP A 88 2.651 2.413 7.051 1.00 0.52 N ATOM 1013 CA ASP A 88 1.689 1.331 6.856 1.00 0.58 C ATOM 1014 C ASP A 88 1.780 0.809 5.430 1.00 0.59 C ATOM 1015 O ASP A 88 1.477 -0.349 5.158 1.00 0.80 O ATOM 1016 CB ASP A 88 0.257 1.810 7.141 1.00 0.64 C ATOM 1017 CG ASP A 88 0.148 2.602 8.426 1.00 1.27 C ATOM 1018 OD1 ASP A 88 0.451 2.038 9.501 1.00 1.21 O ATOM 1019 OD2 ASP A 88 -0.262 3.781 8.378 1.00 2.13 O ATOM 0 H ASP A 88 2.255 3.349 6.958 1.00 0.52 H new ATOM 0 HA ASP A 88 1.930 0.530 7.555 1.00 0.58 H new ATOM 0 HB2 ASP A 88 -0.087 2.426 6.310 1.00 0.64 H new ATOM 0 HB3 ASP A 88 -0.406 0.947 7.194 1.00 0.64 H new ATOM 1024 N PHE A 89 2.236 1.675 4.529 1.00 0.45 N ATOM 1025 CA PHE A 89 2.377 1.350 3.122 1.00 0.45 C ATOM 1026 C PHE A 89 3.558 0.411 2.931 1.00 0.45 C ATOM 1027 O PHE A 89 3.573 -0.455 2.053 1.00 0.46 O ATOM 1028 CB PHE A 89 2.606 2.647 2.343 1.00 0.44 C ATOM 1029 CG PHE A 89 2.932 2.451 0.898 1.00 0.46 C ATOM 1030 CD1 PHE A 89 1.925 2.174 -0.003 1.00 0.55 C ATOM 1031 CD2 PHE A 89 4.236 2.536 0.444 1.00 0.46 C ATOM 1032 CE1 PHE A 89 2.204 1.987 -1.335 1.00 0.60 C ATOM 1033 CE2 PHE A 89 4.526 2.348 -0.893 1.00 0.50 C ATOM 1034 CZ PHE A 89 3.568 2.101 -1.775 1.00 0.56 C ATOM 0 H PHE A 89 2.519 2.627 4.761 1.00 0.45 H new ATOM 0 HA PHE A 89 1.476 0.856 2.758 1.00 0.45 H new ATOM 0 HB2 PHE A 89 1.712 3.265 2.420 1.00 0.44 H new ATOM 0 HB3 PHE A 89 3.418 3.201 2.814 1.00 0.44 H new ATOM 0 HD1 PHE A 89 0.904 2.103 0.343 1.00 0.55 H new ATOM 0 HD2 PHE A 89 5.033 2.751 1.140 1.00 0.46 H new ATOM 0 HE1 PHE A 89 1.415 1.759 -2.037 1.00 0.60 H new ATOM 0 HE2 PHE A 89 5.552 2.403 -1.226 1.00 0.50 H new ATOM 0 HZ PHE A 89 3.811 1.986 -2.821 1.00 0.56 H new ATOM 1044 N LEU A 90 4.532 0.594 3.795 1.00 0.45 N ATOM 1045 CA LEU A 90 5.795 -0.102 3.712 1.00 0.44 C ATOM 1046 C LEU A 90 5.616 -1.600 3.899 1.00 0.43 C ATOM 1047 O LEU A 90 6.141 -2.402 3.123 1.00 0.46 O ATOM 1048 CB LEU A 90 6.715 0.461 4.781 1.00 0.46 C ATOM 1049 CG LEU A 90 8.173 0.588 4.371 1.00 0.60 C ATOM 1050 CD1 LEU A 90 8.885 1.591 5.258 1.00 1.41 C ATOM 1051 CD2 LEU A 90 8.865 -0.765 4.433 1.00 1.14 C ATOM 0 H LEU A 90 4.468 1.238 4.584 1.00 0.45 H new ATOM 0 HA LEU A 90 6.227 0.047 2.722 1.00 0.44 H new ATOM 0 HB2 LEU A 90 6.348 1.445 5.073 1.00 0.46 H new ATOM 0 HB3 LEU A 90 6.655 -0.176 5.663 1.00 0.46 H new ATOM 0 HG LEU A 90 8.213 0.946 3.342 1.00 0.60 H new ATOM 0 HD11 LEU A 90 9.928 1.671 4.952 1.00 1.41 H new ATOM 0 HD12 LEU A 90 8.404 2.565 5.165 1.00 1.41 H new ATOM 0 HD13 LEU A 90 8.835 1.259 6.295 1.00 1.41 H new ATOM 0 HD21 LEU A 90 9.908 -0.654 4.136 1.00 1.14 H new ATOM 0 HD22 LEU A 90 8.817 -1.152 5.451 1.00 1.14 H new ATOM 0 HD23 LEU A 90 8.367 -1.460 3.757 1.00 1.14 H new ATOM 1063 N ASP A 91 4.836 -1.969 4.902 1.00 0.45 N ATOM 1064 CA ASP A 91 4.635 -3.373 5.231 1.00 0.50 C ATOM 1065 C ASP A 91 3.791 -4.083 4.185 1.00 0.52 C ATOM 1066 O ASP A 91 3.517 -5.265 4.323 1.00 0.59 O ATOM 1067 CB ASP A 91 4.010 -3.550 6.612 1.00 0.56 C ATOM 1068 CG ASP A 91 4.995 -4.117 7.616 1.00 1.14 C ATOM 1069 OD1 ASP A 91 5.115 -5.360 7.698 1.00 1.84 O ATOM 1070 OD2 ASP A 91 5.653 -3.332 8.328 1.00 1.85 O ATOM 0 H ASP A 91 4.331 -1.317 5.503 1.00 0.45 H new ATOM 0 HA ASP A 91 5.625 -3.829 5.242 1.00 0.50 H new ATOM 0 HB2 ASP A 91 3.643 -2.588 6.969 1.00 0.56 H new ATOM 0 HB3 ASP A 91 3.148 -4.213 6.537 1.00 0.56 H new ATOM 1075 N ILE A 92 3.349 -3.342 3.174 1.00 0.51 N ATOM 1076 CA ILE A 92 2.594 -3.897 2.047 1.00 0.55 C ATOM 1077 C ILE A 92 3.529 -4.284 0.925 1.00 0.53 C ATOM 1078 O ILE A 92 3.360 -5.317 0.276 1.00 0.60 O ATOM 1079 CB ILE A 92 1.589 -2.868 1.533 1.00 0.58 C ATOM 1080 CG1 ILE A 92 0.808 -2.346 2.720 1.00 0.65 C ATOM 1081 CG2 ILE A 92 0.669 -3.483 0.491 1.00 0.62 C ATOM 1082 CD1 ILE A 92 -0.092 -1.173 2.402 1.00 1.30 C ATOM 0 H ILE A 92 3.503 -2.336 3.109 1.00 0.51 H new ATOM 0 HA ILE A 92 2.064 -4.784 2.393 1.00 0.55 H new ATOM 0 HB ILE A 92 2.109 -2.044 1.044 1.00 0.58 H new ATOM 0 HG12 ILE A 92 0.201 -3.155 3.126 1.00 0.65 H new ATOM 0 HG13 ILE A 92 1.509 -2.051 3.501 1.00 0.65 H new ATOM 0 HG21 ILE A 92 -0.038 -2.731 0.140 1.00 0.62 H new ATOM 0 HG22 ILE A 92 1.261 -3.844 -0.350 1.00 0.62 H new ATOM 0 HG23 ILE A 92 0.122 -4.315 0.934 1.00 0.62 H new ATOM 0 HD11 ILE A 92 -0.615 -0.860 3.306 1.00 1.30 H new ATOM 0 HD12 ILE A 92 0.509 -0.345 2.026 1.00 1.30 H new ATOM 0 HD13 ILE A 92 -0.819 -1.467 1.645 1.00 1.30 H new ATOM 1094 N MET A 93 4.530 -3.459 0.717 1.00 0.47 N ATOM 1095 CA MET A 93 5.567 -3.770 -0.238 1.00 0.48 C ATOM 1096 C MET A 93 6.415 -4.903 0.305 1.00 0.49 C ATOM 1097 O MET A 93 7.060 -5.635 -0.442 1.00 0.55 O ATOM 1098 CB MET A 93 6.399 -2.534 -0.524 1.00 0.50 C ATOM 1099 CG MET A 93 5.555 -1.397 -1.062 1.00 0.61 C ATOM 1100 SD MET A 93 6.555 -0.089 -1.779 1.00 0.57 S ATOM 1101 CE MET A 93 7.390 -1.020 -3.062 1.00 0.63 C ATOM 0 H MET A 93 4.647 -2.567 1.197 1.00 0.47 H new ATOM 0 HA MET A 93 5.125 -4.091 -1.181 1.00 0.48 H new ATOM 0 HB2 MET A 93 6.899 -2.214 0.390 1.00 0.50 H new ATOM 0 HB3 MET A 93 7.179 -2.780 -1.245 1.00 0.50 H new ATOM 0 HG2 MET A 93 4.869 -1.782 -1.816 1.00 0.61 H new ATOM 0 HG3 MET A 93 4.946 -0.986 -0.257 1.00 0.61 H new ATOM 0 HE1 MET A 93 7.501 -0.397 -3.950 1.00 0.63 H new ATOM 0 HE2 MET A 93 8.374 -1.326 -2.708 1.00 0.63 H new ATOM 0 HE3 MET A 93 6.803 -1.904 -3.310 1.00 0.63 H new ATOM 1111 N THR A 94 6.381 -5.053 1.621 1.00 0.48 N ATOM 1112 CA THR A 94 6.993 -6.189 2.273 1.00 0.54 C ATOM 1113 C THR A 94 5.956 -7.276 2.523 1.00 0.61 C ATOM 1114 O THR A 94 6.303 -8.437 2.708 1.00 0.74 O ATOM 1115 CB THR A 94 7.633 -5.787 3.614 1.00 0.59 C ATOM 1116 OG1 THR A 94 6.624 -5.404 4.549 1.00 0.64 O ATOM 1117 CG2 THR A 94 8.596 -4.635 3.415 1.00 0.60 C ATOM 0 H THR A 94 5.932 -4.394 2.257 1.00 0.48 H new ATOM 0 HA THR A 94 7.773 -6.566 1.611 1.00 0.54 H new ATOM 0 HB THR A 94 8.178 -6.647 4.004 1.00 0.59 H new ATOM 0 HG1 THR A 94 7.039 -5.198 5.412 1.00 0.64 H new ATOM 0 HG21 THR A 94 9.040 -4.363 4.372 1.00 0.60 H new ATOM 0 HG22 THR A 94 9.382 -4.934 2.722 1.00 0.60 H new ATOM 0 HG23 THR A 94 8.059 -3.778 3.007 1.00 0.60 H new ATOM 1125 N GLU A 95 4.679 -6.887 2.499 1.00 0.58 N ATOM 1126 CA GLU A 95 3.578 -7.776 2.869 1.00 0.68 C ATOM 1127 C GLU A 95 3.670 -9.091 2.136 1.00 0.71 C ATOM 1128 O GLU A 95 3.818 -10.160 2.731 1.00 0.79 O ATOM 1129 CB GLU A 95 2.225 -7.148 2.551 1.00 0.72 C ATOM 1130 CG GLU A 95 1.044 -7.949 3.063 1.00 0.92 C ATOM 1131 CD GLU A 95 0.954 -7.927 4.576 1.00 1.32 C ATOM 1132 OE1 GLU A 95 1.820 -8.532 5.242 1.00 1.67 O ATOM 1133 OE2 GLU A 95 0.014 -7.307 5.110 1.00 2.09 O ATOM 0 H GLU A 95 4.381 -5.951 2.224 1.00 0.58 H new ATOM 0 HA GLU A 95 3.661 -7.943 3.943 1.00 0.68 H new ATOM 0 HB2 GLU A 95 2.189 -6.148 2.983 1.00 0.72 H new ATOM 0 HB3 GLU A 95 2.133 -7.033 1.471 1.00 0.72 H new ATOM 0 HG2 GLU A 95 0.123 -7.548 2.639 1.00 0.92 H new ATOM 0 HG3 GLU A 95 1.130 -8.980 2.720 1.00 0.92 H new ATOM 1140 N LYS A 96 3.627 -8.984 0.824 1.00 0.68 N ATOM 1141 CA LYS A 96 3.488 -10.142 -0.015 1.00 0.75 C ATOM 1142 C LYS A 96 4.788 -10.941 -0.139 1.00 0.77 C ATOM 1143 O LYS A 96 4.772 -12.054 -0.638 1.00 0.90 O ATOM 1144 CB LYS A 96 2.957 -9.737 -1.394 1.00 0.78 C ATOM 1145 CG LYS A 96 3.636 -8.507 -1.973 1.00 0.75 C ATOM 1146 CD LYS A 96 5.070 -8.787 -2.367 1.00 0.89 C ATOM 1147 CE LYS A 96 5.857 -7.506 -2.519 1.00 0.80 C ATOM 1148 NZ LYS A 96 5.316 -6.654 -3.612 1.00 1.16 N ATOM 0 H LYS A 96 3.687 -8.099 0.320 1.00 0.68 H new ATOM 0 HA LYS A 96 2.766 -10.803 0.464 1.00 0.75 H new ATOM 0 HB2 LYS A 96 3.087 -10.571 -2.083 1.00 0.78 H new ATOM 0 HB3 LYS A 96 1.886 -9.549 -1.320 1.00 0.78 H new ATOM 0 HG2 LYS A 96 3.081 -8.162 -2.845 1.00 0.75 H new ATOM 0 HG3 LYS A 96 3.612 -7.700 -1.240 1.00 0.75 H new ATOM 0 HD2 LYS A 96 5.540 -9.418 -1.613 1.00 0.89 H new ATOM 0 HD3 LYS A 96 5.090 -9.342 -3.305 1.00 0.89 H new ATOM 0 HE2 LYS A 96 5.835 -6.952 -1.581 1.00 0.80 H new ATOM 0 HE3 LYS A 96 6.901 -7.743 -2.725 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 5.940 -5.834 -3.754 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 5.266 -7.207 -4.491 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 4.364 -6.324 -3.356 1.00 1.16 H new ATOM 1162 N ILE A 97 5.919 -10.361 0.267 1.00 0.72 N ATOM 1163 CA ILE A 97 7.189 -11.091 0.222 1.00 0.78 C ATOM 1164 C ILE A 97 7.544 -11.696 1.579 1.00 0.86 C ATOM 1165 O ILE A 97 8.094 -12.794 1.653 1.00 0.97 O ATOM 1166 CB ILE A 97 8.369 -10.237 -0.305 1.00 0.78 C ATOM 1167 CG1 ILE A 97 8.431 -8.859 0.356 1.00 0.73 C ATOM 1168 CG2 ILE A 97 8.300 -10.097 -1.818 1.00 0.90 C ATOM 1169 CD1 ILE A 97 9.247 -8.841 1.627 1.00 0.79 C ATOM 0 H ILE A 97 5.984 -9.408 0.624 1.00 0.72 H new ATOM 0 HA ILE A 97 7.031 -11.898 -0.493 1.00 0.78 H new ATOM 0 HB ILE A 97 9.285 -10.765 -0.039 1.00 0.78 H new ATOM 0 HG12 ILE A 97 8.855 -8.144 -0.349 1.00 0.73 H new ATOM 0 HG13 ILE A 97 7.418 -8.525 0.578 1.00 0.73 H new ATOM 0 HG21 ILE A 97 9.138 -9.494 -2.166 1.00 0.90 H new ATOM 0 HG22 ILE A 97 8.348 -11.084 -2.277 1.00 0.90 H new ATOM 0 HG23 ILE A 97 7.364 -9.613 -2.096 1.00 0.90 H new ATOM 0 HD11 ILE A 97 9.249 -7.834 2.044 1.00 0.79 H new ATOM 0 HD12 ILE A 97 8.811 -9.531 2.349 1.00 0.79 H new ATOM 0 HD13 ILE A 97 10.270 -9.145 1.407 1.00 0.79 H new ATOM 1181 N LYS A 98 7.228 -10.975 2.645 1.00 0.93 N ATOM 1182 CA LYS A 98 7.486 -11.444 3.997 1.00 1.13 C ATOM 1183 C LYS A 98 6.563 -12.614 4.309 1.00 1.19 C ATOM 1184 O LYS A 98 6.988 -13.625 4.863 1.00 1.39 O ATOM 1185 CB LYS A 98 7.307 -10.280 4.983 1.00 1.33 C ATOM 1186 CG LYS A 98 6.427 -10.580 6.184 1.00 1.54 C ATOM 1187 CD LYS A 98 5.821 -9.303 6.739 1.00 1.29 C ATOM 1188 CE LYS A 98 5.097 -8.534 5.645 1.00 1.14 C ATOM 1189 NZ LYS A 98 4.320 -7.378 6.177 1.00 1.56 N ATOM 0 H LYS A 98 6.789 -10.056 2.597 1.00 0.93 H new ATOM 0 HA LYS A 98 8.512 -11.800 4.092 1.00 1.13 H new ATOM 0 HB2 LYS A 98 8.290 -9.973 5.340 1.00 1.33 H new ATOM 0 HB3 LYS A 98 6.884 -9.431 4.446 1.00 1.33 H new ATOM 0 HG2 LYS A 98 5.633 -11.270 5.896 1.00 1.54 H new ATOM 0 HG3 LYS A 98 7.015 -11.075 6.957 1.00 1.54 H new ATOM 0 HD2 LYS A 98 5.125 -9.544 7.543 1.00 1.29 H new ATOM 0 HD3 LYS A 98 6.604 -8.680 7.171 1.00 1.29 H new ATOM 0 HE2 LYS A 98 5.824 -8.175 4.916 1.00 1.14 H new ATOM 0 HE3 LYS A 98 4.423 -9.208 5.117 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 4.219 -6.657 5.435 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 3.378 -7.701 6.476 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 4.820 -6.969 6.992 1.00 1.56 H new ATOM 1203 N ASN A 99 5.307 -12.486 3.916 1.00 1.11 N ATOM 1204 CA ASN A 99 4.377 -13.594 3.999 1.00 1.24 C ATOM 1205 C ASN A 99 4.033 -14.023 2.581 1.00 1.27 C ATOM 1206 O ASN A 99 2.866 -14.070 2.183 1.00 1.57 O ATOM 1207 CB ASN A 99 3.112 -13.208 4.777 1.00 1.30 C ATOM 1208 CG ASN A 99 2.307 -14.423 5.212 1.00 1.53 C ATOM 1209 OD1 ASN A 99 2.536 -14.978 6.286 1.00 1.97 O ATOM 1210 ND2 ASN A 99 1.368 -14.848 4.382 1.00 1.86 N ATOM 0 H ASN A 99 4.910 -11.626 3.537 1.00 1.11 H new ATOM 0 HA ASN A 99 4.837 -14.420 4.542 1.00 1.24 H new ATOM 0 HB2 ASN A 99 3.392 -12.627 5.656 1.00 1.30 H new ATOM 0 HB3 ASN A 99 2.488 -12.565 4.156 1.00 1.30 H new ATOM 0 HD21 ASN A 99 0.804 -15.663 4.624 1.00 1.86 H new ATOM 0 HD22 ASN A 99 1.208 -14.361 3.500 1.00 1.86 H new ATOM 1217 N ARG A 100 5.080 -14.300 1.809 1.00 1.20 N ATOM 1218 CA ARG A 100 4.919 -14.668 0.408 1.00 1.28 C ATOM 1219 C ARG A 100 4.223 -16.015 0.274 1.00 1.61 C ATOM 1220 O ARG A 100 3.628 -16.318 -0.759 1.00 1.75 O ATOM 1221 CB ARG A 100 6.270 -14.695 -0.317 1.00 1.26 C ATOM 1222 CG ARG A 100 7.230 -15.753 0.196 1.00 1.58 C ATOM 1223 CD ARG A 100 8.525 -15.748 -0.594 1.00 1.70 C ATOM 1224 NE ARG A 100 9.417 -16.826 -0.180 1.00 2.35 N ATOM 1225 CZ ARG A 100 10.568 -17.114 -0.778 1.00 2.88 C ATOM 1226 NH1 ARG A 100 10.976 -16.407 -1.826 1.00 2.86 N ATOM 1227 NH2 ARG A 100 11.320 -18.105 -0.318 1.00 3.81 N ATOM 0 H ARG A 100 6.048 -14.276 2.131 1.00 1.20 H new ATOM 0 HA ARG A 100 4.294 -13.908 -0.060 1.00 1.28 H new ATOM 0 HB2 ARG A 100 6.096 -14.863 -1.380 1.00 1.26 H new ATOM 0 HB3 ARG A 100 6.741 -13.716 -0.222 1.00 1.26 H new ATOM 0 HG2 ARG A 100 7.443 -15.574 1.250 1.00 1.58 H new ATOM 0 HG3 ARG A 100 6.763 -16.735 0.128 1.00 1.58 H new ATOM 0 HD2 ARG A 100 8.303 -15.848 -1.656 1.00 1.70 H new ATOM 0 HD3 ARG A 100 9.027 -14.790 -0.462 1.00 1.70 H new ATOM 0 HE ARG A 100 9.139 -17.395 0.620 1.00 2.35 H new ATOM 0 HH11 ARG A 100 10.405 -15.638 -2.176 1.00 2.86 H new ATOM 0 HH12 ARG A 100 11.861 -16.633 -2.281 1.00 2.86 H new ATOM 0 HH21 ARG A 100 11.014 -18.643 0.493 1.00 3.81 H new ATOM 0 HH22 ARG A 100 12.204 -18.329 -0.775 1.00 3.81 H new ATOM 1241 N ASP A 101 4.294 -16.811 1.329 1.00 2.03 N ATOM 1242 CA ASP A 101 3.675 -18.120 1.337 1.00 2.53 C ATOM 1243 C ASP A 101 2.628 -18.202 2.437 1.00 2.92 C ATOM 1244 O ASP A 101 1.440 -17.958 2.145 1.00 3.13 O ATOM 1245 CB ASP A 101 4.735 -19.199 1.529 1.00 3.31 C ATOM 1246 CG ASP A 101 4.150 -20.591 1.504 1.00 3.89 C ATOM 1247 OD1 ASP A 101 3.545 -20.963 0.477 1.00 4.02 O ATOM 1248 OD2 ASP A 101 4.303 -21.321 2.501 1.00 4.34 O ATOM 1249 OXT ASP A 101 2.999 -18.481 3.595 1.00 3.41 O ATOM 0 H ASP A 101 4.778 -16.568 2.194 1.00 2.03 H new ATOM 0 HA ASP A 101 3.182 -18.282 0.379 1.00 2.53 H new ATOM 0 HB2 ASP A 101 5.487 -19.110 0.745 1.00 3.31 H new ATOM 0 HB3 ASP A 101 5.245 -19.039 2.479 1.00 3.31 H new TER 1254 ASP A 101