USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 585 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 125 TYR OH : rot -95:sc= 0.411 USER MOD Set 1.2: A 128 TYR OH : rot -130:sc= -0.352 USER MOD Set 2.1: A 123 ASN : amide:sc= 1.17 K(o=1.1,f=-0.74) USER MOD Set 2.2: A 126 MET CE :methyl 142:sc= -0.109 (180deg=-0.672) USER MOD Set 3.1: A 114 THR OG1 : rot -69:sc= 0.988 USER MOD Set 3.2: A 117 LYS NZ :NH3+ -135:sc= 2.11 (180deg=-0.426) USER MOD Set 4.1: A 107 SER OG : rot 97:sc= 1.22 USER MOD Set 4.2: A 122 TYR OH : rot 25:sc= 1.2 USER MOD Single : A 65 THR OG1 : rot -34:sc= 0.925 USER MOD Single : A 69 LYS NZ :NH3+ -137:sc= 1.17 (180deg=0.92) USER MOD Single : A 70 THR OG1 : rot 37:sc= 0.345 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 2.36 (180deg=2.34) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.65 (180deg=0.884) USER MOD Single : A 77 LYS NZ :NH3+ 137:sc= 0.994 (180deg=-0.0501) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -139:sc= -0.111 (180deg=-0.942) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= 0.414! (180deg=-3.44!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.4!) USER MOD Single : A 95 LYS NZ :NH3+ 140:sc= 2.32 (180deg=1.71) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 0.685 (180deg=0.552) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0.0129 F(o=-1.6,f=0.013) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= 2.29 (180deg=1.6) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 138:sc= 0.412 (180deg=-1.41!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 85:sc= 0.0282 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 61 21.002 0.294 6.123 1.00 0.00 N ATOM 2 CA GLY A 61 22.418 0.658 6.327 1.00 0.00 C ATOM 3 C GLY A 61 23.168 -0.533 6.863 1.00 0.00 C ATOM 4 O GLY A 61 23.101 -1.590 6.259 1.00 0.00 O ATOM 0 HA2 GLY A 61 22.860 0.987 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.494 1.493 7.024 1.00 0.00 H new ATOM 10 N PRO A 62 23.892 -0.409 8.008 1.00 0.00 N ATOM 11 CA PRO A 62 24.536 -1.578 8.659 1.00 0.00 C ATOM 12 C PRO A 62 23.447 -2.549 9.112 1.00 0.00 C ATOM 13 O PRO A 62 23.615 -3.753 9.130 1.00 0.00 O ATOM 14 CB PRO A 62 25.249 -0.964 9.877 1.00 0.00 C ATOM 15 CG PRO A 62 25.375 0.490 9.561 1.00 0.00 C ATOM 16 CD PRO A 62 24.173 0.845 8.732 1.00 0.00 C ATOM 0 HA PRO A 62 25.218 -2.128 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 62 24.675 -1.121 10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 62 26.227 -1.420 10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 62 25.408 1.085 10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 62 26.297 0.691 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 62 23.330 1.151 9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 62 24.382 1.668 8.049 1.00 0.00 H new ATOM 24 N GLY A 63 22.332 -1.960 9.458 1.00 0.00 N ATOM 25 CA GLY A 63 21.140 -2.656 9.770 1.00 0.00 C ATOM 26 C GLY A 63 20.036 -1.950 9.043 1.00 0.00 C ATOM 27 O GLY A 63 20.256 -0.792 8.593 1.00 0.00 O ATOM 0 H GLY A 63 22.240 -0.947 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.206 -3.698 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.960 -2.655 10.845 1.00 0.00 H new ATOM 31 N LEU A 64 18.904 -2.603 8.883 1.00 0.00 N ATOM 32 CA LEU A 64 17.743 -2.053 8.188 1.00 0.00 C ATOM 33 C LEU A 64 18.070 -1.739 6.723 1.00 0.00 C ATOM 34 O LEU A 64 18.366 -0.593 6.341 1.00 0.00 O ATOM 35 CB LEU A 64 17.131 -0.833 8.920 1.00 0.00 C ATOM 36 CG LEU A 64 15.861 -0.224 8.299 1.00 0.00 C ATOM 37 CD1 LEU A 64 14.721 -1.235 8.278 1.00 0.00 C ATOM 38 CD2 LEU A 64 15.448 1.031 9.052 1.00 0.00 C ATOM 0 H LEU A 64 18.755 -3.548 9.236 1.00 0.00 H new ATOM 0 HA LEU A 64 16.974 -2.826 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.902 -1.129 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 64 17.890 -0.053 8.977 1.00 0.00 H new ATOM 0 HG LEU A 64 16.088 0.048 7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.837 -0.777 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.015 -2.103 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.494 -1.549 9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.548 1.448 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.247 0.781 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.252 1.765 9.004 1.00 0.00 H new ATOM 50 N THR A 65 18.118 -2.777 5.953 1.00 0.00 N ATOM 51 CA THR A 65 18.350 -2.717 4.512 1.00 0.00 C ATOM 52 C THR A 65 17.461 -3.816 3.930 1.00 0.00 C ATOM 53 O THR A 65 17.579 -4.260 2.788 1.00 0.00 O ATOM 54 CB THR A 65 19.857 -3.002 4.192 1.00 0.00 C ATOM 55 OG1 THR A 65 20.697 -2.184 5.040 1.00 0.00 O ATOM 56 CG2 THR A 65 20.187 -2.663 2.738 1.00 0.00 C ATOM 0 H THR A 65 17.995 -3.728 6.302 1.00 0.00 H new ATOM 0 HA THR A 65 18.120 -1.737 4.094 1.00 0.00 H new ATOM 0 HB THR A 65 20.038 -4.062 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.261 -1.321 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.240 -2.871 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.570 -3.269 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.987 -1.607 2.556 1.00 0.00 H new ATOM 64 N ASP A 66 16.500 -4.148 4.741 1.00 0.00 N ATOM 65 CA ASP A 66 15.616 -5.277 4.599 1.00 0.00 C ATOM 66 C ASP A 66 14.472 -5.015 3.647 1.00 0.00 C ATOM 67 O ASP A 66 13.376 -5.527 3.825 1.00 0.00 O ATOM 68 CB ASP A 66 15.108 -5.636 5.993 1.00 0.00 C ATOM 69 CG ASP A 66 16.253 -6.001 6.911 1.00 0.00 C ATOM 70 OD1 ASP A 66 16.976 -5.075 7.374 1.00 0.00 O ATOM 71 OD2 ASP A 66 16.481 -7.217 7.117 1.00 0.00 O ATOM 0 H ASP A 66 16.296 -3.602 5.578 1.00 0.00 H new ATOM 0 HA ASP A 66 16.165 -6.109 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.557 -4.794 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.411 -6.471 5.926 1.00 0.00 H new ATOM 76 N LEU A 67 14.756 -4.268 2.600 1.00 0.00 N ATOM 77 CA LEU A 67 13.791 -4.018 1.553 1.00 0.00 C ATOM 78 C LEU A 67 13.665 -5.294 0.729 1.00 0.00 C ATOM 79 O LEU A 67 12.617 -5.604 0.174 1.00 0.00 O ATOM 80 CB LEU A 67 14.245 -2.843 0.672 1.00 0.00 C ATOM 81 CG LEU A 67 13.295 -2.430 -0.466 1.00 0.00 C ATOM 82 CD1 LEU A 67 11.950 -1.965 0.082 1.00 0.00 C ATOM 83 CD2 LEU A 67 13.929 -1.345 -1.321 1.00 0.00 C ATOM 0 H LEU A 67 15.660 -3.819 2.452 1.00 0.00 H new ATOM 0 HA LEU A 67 12.825 -3.748 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.404 -1.977 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 15.210 -3.098 0.235 1.00 0.00 H new ATOM 0 HG LEU A 67 13.117 -3.305 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.299 -1.680 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.487 -2.775 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.101 -1.107 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.243 -1.065 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.141 -0.473 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 67 14.857 -1.718 -1.753 1.00 0.00 H new ATOM 95 N PHE A 68 14.756 -6.043 0.687 1.00 0.00 N ATOM 96 CA PHE A 68 14.769 -7.321 0.037 1.00 0.00 C ATOM 97 C PHE A 68 14.283 -8.355 1.048 1.00 0.00 C ATOM 98 O PHE A 68 15.070 -8.973 1.775 1.00 0.00 O ATOM 99 CB PHE A 68 16.177 -7.659 -0.500 1.00 0.00 C ATOM 100 CG PHE A 68 16.260 -8.946 -1.287 1.00 0.00 C ATOM 101 CD1 PHE A 68 15.803 -9.004 -2.595 1.00 0.00 C ATOM 102 CD2 PHE A 68 16.805 -10.091 -0.724 1.00 0.00 C ATOM 103 CE1 PHE A 68 15.886 -10.175 -3.323 1.00 0.00 C ATOM 104 CE2 PHE A 68 16.888 -11.265 -1.445 1.00 0.00 C ATOM 105 CZ PHE A 68 16.429 -11.308 -2.747 1.00 0.00 C ATOM 0 H PHE A 68 15.647 -5.774 1.104 1.00 0.00 H new ATOM 0 HA PHE A 68 14.109 -7.315 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.516 -6.839 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 68 16.867 -7.718 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 68 15.377 -8.122 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 17.169 -10.063 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 68 15.527 -10.205 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 68 17.311 -12.149 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.494 -12.225 -3.314 1.00 0.00 H new ATOM 115 N LYS A 69 12.989 -8.432 1.158 1.00 0.00 N ATOM 116 CA LYS A 69 12.298 -9.305 2.068 1.00 0.00 C ATOM 117 C LYS A 69 10.959 -9.596 1.428 1.00 0.00 C ATOM 118 O LYS A 69 10.762 -9.295 0.254 1.00 0.00 O ATOM 119 CB LYS A 69 12.047 -8.583 3.415 1.00 0.00 C ATOM 120 CG LYS A 69 12.616 -9.273 4.660 1.00 0.00 C ATOM 121 CD LYS A 69 14.133 -9.161 4.729 1.00 0.00 C ATOM 122 CE LYS A 69 14.688 -9.800 5.990 1.00 0.00 C ATOM 123 NZ LYS A 69 16.146 -9.563 6.136 1.00 0.00 N ATOM 0 H LYS A 69 12.357 -7.865 0.593 1.00 0.00 H new ATOM 0 HA LYS A 69 12.879 -10.207 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.471 -7.581 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.971 -8.466 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.178 -8.828 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.330 -10.325 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.573 -9.640 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.422 -8.111 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.166 -9.400 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.495 -10.873 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.611 -10.441 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.542 -9.263 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.308 -8.819 6.845 1.00 0.00 H new ATOM 137 N THR A 70 10.052 -10.160 2.176 1.00 0.00 N ATOM 138 CA THR A 70 8.728 -10.376 1.695 1.00 0.00 C ATOM 139 C THR A 70 7.962 -9.050 1.725 1.00 0.00 C ATOM 140 O THR A 70 7.505 -8.601 2.795 1.00 0.00 O ATOM 141 CB THR A 70 8.023 -11.426 2.562 1.00 0.00 C ATOM 142 OG1 THR A 70 8.231 -11.090 3.944 1.00 0.00 O ATOM 143 CG2 THR A 70 8.572 -12.820 2.285 1.00 0.00 C ATOM 0 H THR A 70 10.215 -10.479 3.131 1.00 0.00 H new ATOM 0 HA THR A 70 8.762 -10.745 0.670 1.00 0.00 H new ATOM 0 HB THR A 70 6.959 -11.430 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.210 -10.116 4.051 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.055 -13.546 2.913 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.415 -13.071 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.639 -12.842 2.508 1.00 0.00 H new ATOM 151 N GLU A 71 7.850 -8.426 0.577 1.00 0.00 N ATOM 152 CA GLU A 71 7.201 -7.131 0.429 1.00 0.00 C ATOM 153 C GLU A 71 5.729 -7.144 0.782 1.00 0.00 C ATOM 154 O GLU A 71 5.182 -6.127 1.202 1.00 0.00 O ATOM 155 CB GLU A 71 7.499 -6.457 -0.934 1.00 0.00 C ATOM 156 CG GLU A 71 7.751 -7.413 -2.109 1.00 0.00 C ATOM 157 CD GLU A 71 6.641 -8.411 -2.354 1.00 0.00 C ATOM 158 OE1 GLU A 71 6.589 -9.431 -1.629 1.00 0.00 O ATOM 159 OE2 GLU A 71 5.810 -8.204 -3.264 1.00 0.00 O ATOM 0 H GLU A 71 8.211 -8.804 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 71 7.663 -6.492 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.660 -5.810 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.372 -5.815 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.900 -6.825 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.678 -7.957 -1.926 1.00 0.00 H new ATOM 166 N LYS A 72 5.116 -8.294 0.650 1.00 0.00 N ATOM 167 CA LYS A 72 3.710 -8.512 1.048 1.00 0.00 C ATOM 168 C LYS A 72 3.550 -8.112 2.495 1.00 0.00 C ATOM 169 O LYS A 72 2.674 -7.348 2.873 1.00 0.00 O ATOM 170 CB LYS A 72 3.366 -10.007 0.979 1.00 0.00 C ATOM 171 CG LYS A 72 3.973 -10.730 -0.187 1.00 0.00 C ATOM 172 CD LYS A 72 3.520 -10.128 -1.499 1.00 0.00 C ATOM 173 CE LYS A 72 4.129 -10.840 -2.695 1.00 0.00 C ATOM 174 NZ LYS A 72 3.996 -10.023 -3.913 1.00 0.00 N ATOM 0 H LYS A 72 5.565 -9.124 0.262 1.00 0.00 H new ATOM 0 HA LYS A 72 3.069 -7.933 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.697 -10.486 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.282 -10.116 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.060 -10.686 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.694 -11.783 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.433 -10.177 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.794 -9.073 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.182 -11.047 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.637 -11.802 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.506 -10.480 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.990 -9.932 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.397 -9.079 -3.743 1.00 0.00 H new ATOM 188 N ALA A 73 4.468 -8.606 3.274 1.00 0.00 N ATOM 189 CA ALA A 73 4.481 -8.453 4.699 1.00 0.00 C ATOM 190 C ALA A 73 4.944 -7.056 5.114 1.00 0.00 C ATOM 191 O ALA A 73 4.724 -6.629 6.264 1.00 0.00 O ATOM 192 CB ALA A 73 5.363 -9.531 5.292 1.00 0.00 C ATOM 0 H ALA A 73 5.257 -9.147 2.920 1.00 0.00 H new ATOM 0 HA ALA A 73 3.467 -8.563 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.384 -9.428 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.967 -10.511 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.375 -9.430 4.899 1.00 0.00 H new ATOM 198 N ALA A 74 5.614 -6.379 4.204 1.00 0.00 N ATOM 199 CA ALA A 74 6.102 -5.031 4.426 1.00 0.00 C ATOM 200 C ALA A 74 5.013 -3.996 4.106 1.00 0.00 C ATOM 201 O ALA A 74 4.613 -3.210 4.968 1.00 0.00 O ATOM 202 CB ALA A 74 7.347 -4.779 3.578 1.00 0.00 C ATOM 0 H ALA A 74 5.838 -6.751 3.281 1.00 0.00 H new ATOM 0 HA ALA A 74 6.366 -4.927 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.706 -3.765 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.125 -5.491 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.100 -4.901 2.523 1.00 0.00 H new ATOM 208 N VAL A 75 4.509 -4.043 2.881 1.00 0.00 N ATOM 209 CA VAL A 75 3.523 -3.080 2.385 1.00 0.00 C ATOM 210 C VAL A 75 2.212 -3.160 3.164 1.00 0.00 C ATOM 211 O VAL A 75 1.670 -2.145 3.597 1.00 0.00 O ATOM 212 CB VAL A 75 3.242 -3.289 0.867 1.00 0.00 C ATOM 213 CG1 VAL A 75 2.180 -2.323 0.357 1.00 0.00 C ATOM 214 CG2 VAL A 75 4.523 -3.132 0.060 1.00 0.00 C ATOM 0 H VAL A 75 4.771 -4.752 2.196 1.00 0.00 H new ATOM 0 HA VAL A 75 3.952 -2.089 2.533 1.00 0.00 H new ATOM 0 HB VAL A 75 2.864 -4.303 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.010 -2.497 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.251 -2.482 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.519 -1.298 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.307 -3.281 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.927 -2.131 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.253 -3.871 0.389 1.00 0.00 H new ATOM 224 N LYS A 76 1.752 -4.365 3.393 1.00 0.00 N ATOM 225 CA LYS A 76 0.480 -4.613 4.064 1.00 0.00 C ATOM 226 C LYS A 76 0.556 -4.245 5.548 1.00 0.00 C ATOM 227 O LYS A 76 -0.454 -4.019 6.204 1.00 0.00 O ATOM 228 CB LYS A 76 0.139 -6.064 3.868 1.00 0.00 C ATOM 229 CG LYS A 76 -1.224 -6.533 4.302 1.00 0.00 C ATOM 230 CD LYS A 76 -1.365 -7.973 3.870 1.00 0.00 C ATOM 231 CE LYS A 76 -2.775 -8.484 3.968 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.918 -9.761 3.241 1.00 0.00 N ATOM 0 H LYS A 76 2.247 -5.214 3.121 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.303 -3.987 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.249 -6.293 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.882 -6.657 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.334 -6.444 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.003 -5.919 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.020 -8.073 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.716 -8.596 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.045 -8.623 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.464 -7.746 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.924 -9.936 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.391 -9.712 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.541 -10.536 3.823 1.00 0.00 H new ATOM 246 N LYS A 77 1.764 -4.139 6.050 1.00 0.00 N ATOM 247 CA LYS A 77 1.994 -3.780 7.435 1.00 0.00 C ATOM 248 C LYS A 77 1.770 -2.286 7.581 1.00 0.00 C ATOM 249 O LYS A 77 1.338 -1.797 8.639 1.00 0.00 O ATOM 250 CB LYS A 77 3.428 -4.147 7.806 1.00 0.00 C ATOM 251 CG LYS A 77 3.736 -4.228 9.295 1.00 0.00 C ATOM 252 CD LYS A 77 2.956 -5.355 9.992 1.00 0.00 C ATOM 253 CE LYS A 77 3.137 -6.723 9.301 1.00 0.00 C ATOM 254 NZ LYS A 77 4.567 -7.083 9.083 1.00 0.00 N ATOM 0 H LYS A 77 2.616 -4.298 5.513 1.00 0.00 H new ATOM 0 HA LYS A 77 1.313 -4.314 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.663 -5.111 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.097 -3.413 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.805 -4.389 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.493 -3.276 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.284 -5.430 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.896 -5.100 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.662 -7.495 9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.621 -6.709 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.714 -8.084 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.816 -6.928 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.171 -6.488 9.686 1.00 0.00 H new ATOM 268 N MET A 78 2.041 -1.582 6.502 1.00 0.00 N ATOM 269 CA MET A 78 1.832 -0.161 6.427 1.00 0.00 C ATOM 270 C MET A 78 0.375 0.076 6.101 1.00 0.00 C ATOM 271 O MET A 78 -0.240 0.980 6.623 1.00 0.00 O ATOM 272 CB MET A 78 2.730 0.455 5.350 1.00 0.00 C ATOM 273 CG MET A 78 4.208 0.199 5.575 1.00 0.00 C ATOM 274 SD MET A 78 5.248 0.848 4.248 1.00 0.00 S ATOM 275 CE MET A 78 6.860 0.294 4.824 1.00 0.00 C ATOM 0 H MET A 78 2.417 -1.990 5.646 1.00 0.00 H new ATOM 0 HA MET A 78 2.086 0.309 7.377 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.444 0.055 4.377 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.557 1.531 5.315 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.510 0.652 6.520 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.375 -0.874 5.668 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.627 0.611 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.066 0.728 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.865 -0.793 4.901 1.00 0.00 H new ATOM 285 N ALA A 79 -0.173 -0.796 5.258 1.00 0.00 N ATOM 286 CA ALA A 79 -1.586 -0.776 4.876 1.00 0.00 C ATOM 287 C ALA A 79 -2.470 -0.869 6.127 1.00 0.00 C ATOM 288 O ALA A 79 -3.475 -0.160 6.267 1.00 0.00 O ATOM 289 CB ALA A 79 -1.869 -1.939 3.923 1.00 0.00 C ATOM 0 H ALA A 79 0.357 -1.546 4.815 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.815 0.160 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.921 -1.927 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.249 -1.838 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.639 -2.881 4.420 1.00 0.00 H new ATOM 295 N LYS A 80 -2.042 -1.723 7.037 1.00 0.00 N ATOM 296 CA LYS A 80 -2.663 -1.921 8.346 1.00 0.00 C ATOM 297 C LYS A 80 -2.700 -0.601 9.143 1.00 0.00 C ATOM 298 O LYS A 80 -3.570 -0.385 9.974 1.00 0.00 O ATOM 299 CB LYS A 80 -1.871 -3.045 9.099 1.00 0.00 C ATOM 300 CG LYS A 80 -2.265 -3.359 10.569 1.00 0.00 C ATOM 301 CD LYS A 80 -1.739 -2.322 11.588 1.00 0.00 C ATOM 302 CE LYS A 80 -0.220 -2.265 11.631 1.00 0.00 C ATOM 303 NZ LYS A 80 0.256 -1.236 12.591 1.00 0.00 N ATOM 0 H LYS A 80 -1.228 -2.319 6.888 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.700 -2.235 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.970 -3.965 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.815 -2.774 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.351 -3.408 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.882 -4.344 10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.129 -1.337 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.118 -2.568 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.174 -3.241 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.166 -2.043 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.296 -1.222 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.101 -0.302 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.093 -1.463 13.544 1.00 0.00 H new ATOM 317 N ALA A 81 -1.755 0.261 8.905 1.00 0.00 N ATOM 318 CA ALA A 81 -1.724 1.521 9.617 1.00 0.00 C ATOM 319 C ALA A 81 -2.735 2.519 9.042 1.00 0.00 C ATOM 320 O ALA A 81 -3.370 3.251 9.788 1.00 0.00 O ATOM 321 CB ALA A 81 -0.319 2.087 9.649 1.00 0.00 C ATOM 0 H ALA A 81 -1.000 0.125 8.233 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.024 1.333 10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.320 3.034 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.345 1.384 10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.030 2.251 8.630 1.00 0.00 H new ATOM 327 N ILE A 82 -2.923 2.494 7.730 1.00 0.00 N ATOM 328 CA ILE A 82 -3.868 3.409 7.065 1.00 0.00 C ATOM 329 C ILE A 82 -5.320 2.967 7.330 1.00 0.00 C ATOM 330 O ILE A 82 -6.248 3.777 7.335 1.00 0.00 O ATOM 331 CB ILE A 82 -3.600 3.556 5.506 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.341 4.384 5.210 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.786 4.170 4.766 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.049 3.774 5.650 1.00 0.00 C ATOM 0 H ILE A 82 -2.440 1.856 7.098 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.707 4.396 7.499 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.450 2.540 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.290 4.564 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.446 5.356 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.551 4.249 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.664 3.538 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.990 5.163 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.226 4.440 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.068 3.620 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.910 2.816 5.150 1.00 0.00 H new ATOM 346 N MET A 83 -5.519 1.671 7.577 1.00 0.00 N ATOM 347 CA MET A 83 -6.863 1.193 7.903 1.00 0.00 C ATOM 348 C MET A 83 -7.269 1.689 9.294 1.00 0.00 C ATOM 349 O MET A 83 -8.452 1.668 9.653 1.00 0.00 O ATOM 350 CB MET A 83 -7.016 -0.345 7.811 1.00 0.00 C ATOM 351 CG MET A 83 -6.254 -1.132 8.860 1.00 0.00 C ATOM 352 SD MET A 83 -6.657 -2.893 8.868 1.00 0.00 S ATOM 353 CE MET A 83 -8.340 -2.837 9.484 1.00 0.00 C ATOM 0 H MET A 83 -4.793 0.954 7.559 1.00 0.00 H new ATOM 0 HA MET A 83 -7.532 1.606 7.148 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.074 -0.594 7.890 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.685 -0.669 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.184 -1.012 8.688 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.467 -0.713 9.844 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.494 -3.648 10.196 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.515 -1.882 9.979 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.036 -2.947 8.652 1.00 0.00 H new ATOM 363 N ALA A 84 -6.287 2.126 10.058 1.00 0.00 N ATOM 364 CA ALA A 84 -6.518 2.691 11.357 1.00 0.00 C ATOM 365 C ALA A 84 -6.669 4.198 11.216 1.00 0.00 C ATOM 366 O ALA A 84 -7.715 4.752 11.556 1.00 0.00 O ATOM 367 CB ALA A 84 -5.379 2.340 12.309 1.00 0.00 C ATOM 0 H ALA A 84 -5.304 2.095 9.786 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.433 2.276 11.780 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.575 2.778 13.288 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.306 1.257 12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.442 2.734 11.916 1.00 0.00 H new ATOM 373 N ASP A 85 -5.645 4.846 10.675 1.00 0.00 N ATOM 374 CA ASP A 85 -5.680 6.276 10.455 1.00 0.00 C ATOM 375 C ASP A 85 -5.637 6.594 8.974 1.00 0.00 C ATOM 376 O ASP A 85 -4.652 6.282 8.282 1.00 0.00 O ATOM 377 CB ASP A 85 -4.535 7.009 11.154 1.00 0.00 C ATOM 378 CG ASP A 85 -4.528 8.482 10.771 1.00 0.00 C ATOM 379 OD1 ASP A 85 -5.285 9.257 11.350 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.788 8.859 9.832 1.00 0.00 O ATOM 0 H ASP A 85 -4.778 4.396 10.381 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.618 6.626 10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.638 6.909 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.584 6.552 10.881 1.00 0.00 H new ATOM 385 N PRO A 86 -6.700 7.189 8.448 1.00 0.00 N ATOM 386 CA PRO A 86 -6.755 7.592 7.071 1.00 0.00 C ATOM 387 C PRO A 86 -6.366 9.071 6.879 1.00 0.00 C ATOM 388 O PRO A 86 -6.573 9.634 5.805 1.00 0.00 O ATOM 389 CB PRO A 86 -8.230 7.382 6.740 1.00 0.00 C ATOM 390 CG PRO A 86 -8.957 7.692 8.016 1.00 0.00 C ATOM 391 CD PRO A 86 -7.970 7.475 9.148 1.00 0.00 C ATOM 0 HA PRO A 86 -6.062 7.037 6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.552 8.039 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.421 6.359 6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.322 8.719 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.827 7.045 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.888 8.357 9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.270 6.646 9.789 1.00 0.00 H new ATOM 399 N SER A 87 -5.788 9.686 7.901 1.00 0.00 N ATOM 400 CA SER A 87 -5.445 11.082 7.832 1.00 0.00 C ATOM 401 C SER A 87 -4.014 11.248 7.332 1.00 0.00 C ATOM 402 O SER A 87 -3.753 12.072 6.480 1.00 0.00 O ATOM 403 CB SER A 87 -5.643 11.770 9.201 1.00 0.00 C ATOM 404 OG SER A 87 -5.460 13.183 9.108 1.00 0.00 O ATOM 0 H SER A 87 -5.551 9.233 8.783 1.00 0.00 H new ATOM 0 HA SER A 87 -6.114 11.569 7.123 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.644 11.556 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.937 11.357 9.922 1.00 0.00 H new ATOM 0 HG SER A 87 -5.593 13.589 9.990 1.00 0.00 H new ATOM 410 N LYS A 88 -3.101 10.437 7.847 1.00 0.00 N ATOM 411 CA LYS A 88 -1.700 10.491 7.438 1.00 0.00 C ATOM 412 C LYS A 88 -1.471 9.656 6.188 1.00 0.00 C ATOM 413 O LYS A 88 -0.340 9.527 5.691 1.00 0.00 O ATOM 414 CB LYS A 88 -0.715 10.133 8.601 1.00 0.00 C ATOM 415 CG LYS A 88 -0.781 8.702 9.199 1.00 0.00 C ATOM 416 CD LYS A 88 -0.226 7.580 8.286 1.00 0.00 C ATOM 417 CE LYS A 88 1.315 7.657 8.054 1.00 0.00 C ATOM 418 NZ LYS A 88 1.760 8.842 7.248 1.00 0.00 N ATOM 0 H LYS A 88 -3.304 9.729 8.553 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.472 11.526 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.300 10.298 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.884 10.842 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.227 8.692 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.819 8.473 9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.469 6.613 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.731 7.627 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.815 7.682 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.641 6.747 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.570 8.573 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.978 9.164 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.042 9.611 7.888 1.00 0.00 H new ATOM 432 N ALA A 89 -2.526 8.986 5.780 1.00 0.00 N ATOM 433 CA ALA A 89 -2.550 8.103 4.626 1.00 0.00 C ATOM 434 C ALA A 89 -1.965 8.747 3.359 1.00 0.00 C ATOM 435 O ALA A 89 -1.331 8.056 2.564 1.00 0.00 O ATOM 436 CB ALA A 89 -3.969 7.659 4.366 1.00 0.00 C ATOM 0 H ALA A 89 -3.426 9.041 6.258 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.916 7.248 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.990 6.996 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.350 7.129 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.593 8.531 4.171 1.00 0.00 H new ATOM 442 N ASP A 90 -2.138 10.056 3.218 1.00 0.00 N ATOM 443 CA ASP A 90 -1.678 10.828 2.042 1.00 0.00 C ATOM 444 C ASP A 90 -0.174 10.618 1.812 1.00 0.00 C ATOM 445 O ASP A 90 0.257 10.255 0.701 1.00 0.00 O ATOM 446 CB ASP A 90 -2.008 12.339 2.221 1.00 0.00 C ATOM 447 CG ASP A 90 -1.255 13.007 3.376 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.111 12.357 4.453 1.00 0.00 O ATOM 449 OD2 ASP A 90 -0.798 14.142 3.208 1.00 0.00 O ATOM 0 H ASP A 90 -2.606 10.630 3.919 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.207 10.466 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.773 12.864 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.080 12.449 2.387 1.00 0.00 H new ATOM 454 N ASP A 91 0.592 10.787 2.877 1.00 0.00 N ATOM 455 CA ASP A 91 2.042 10.557 2.909 1.00 0.00 C ATOM 456 C ASP A 91 2.403 9.157 2.443 1.00 0.00 C ATOM 457 O ASP A 91 3.315 8.964 1.632 1.00 0.00 O ATOM 458 CB ASP A 91 2.567 10.798 4.339 1.00 0.00 C ATOM 459 CG ASP A 91 3.800 9.974 4.693 1.00 0.00 C ATOM 460 OD1 ASP A 91 4.884 10.262 4.195 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.642 8.995 5.502 1.00 0.00 O ATOM 0 H ASP A 91 0.219 11.097 3.774 1.00 0.00 H new ATOM 0 HA ASP A 91 2.513 11.258 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.804 11.856 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.773 10.569 5.050 1.00 0.00 H new ATOM 466 N VAL A 92 1.647 8.193 2.886 1.00 0.00 N ATOM 467 CA VAL A 92 1.949 6.825 2.572 1.00 0.00 C ATOM 468 C VAL A 92 1.594 6.512 1.121 1.00 0.00 C ATOM 469 O VAL A 92 2.284 5.728 0.458 1.00 0.00 O ATOM 470 CB VAL A 92 1.270 5.847 3.563 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.633 4.403 3.256 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.705 6.188 4.970 1.00 0.00 C ATOM 0 H VAL A 92 0.818 8.328 3.465 1.00 0.00 H new ATOM 0 HA VAL A 92 3.024 6.683 2.685 1.00 0.00 H new ATOM 0 HB VAL A 92 0.190 5.951 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.140 3.744 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.307 4.153 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.713 4.276 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.231 5.504 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.788 6.096 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.410 7.211 5.204 1.00 0.00 H new ATOM 482 N TYR A 93 0.558 7.166 0.616 1.00 0.00 N ATOM 483 CA TYR A 93 0.146 6.985 -0.768 1.00 0.00 C ATOM 484 C TYR A 93 1.186 7.565 -1.696 1.00 0.00 C ATOM 485 O TYR A 93 1.605 6.916 -2.646 1.00 0.00 O ATOM 486 CB TYR A 93 -1.199 7.657 -1.072 1.00 0.00 C ATOM 487 CG TYR A 93 -2.393 7.164 -0.287 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.371 5.968 0.430 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.556 7.906 -0.279 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.476 5.542 1.129 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.660 7.490 0.413 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.619 6.307 1.118 1.00 0.00 C ATOM 493 OH TYR A 93 -5.728 5.889 1.811 1.00 0.00 O ATOM 0 H TYR A 93 -0.012 7.827 1.144 1.00 0.00 H new ATOM 0 HA TYR A 93 0.038 5.912 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.093 8.727 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.412 7.529 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.473 5.368 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.596 8.834 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.447 4.615 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.560 8.086 0.407 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.449 6.544 1.701 1.00 0.00 H new ATOM 503 N GLN A 94 1.626 8.780 -1.392 1.00 0.00 N ATOM 504 CA GLN A 94 2.593 9.474 -2.230 1.00 0.00 C ATOM 505 C GLN A 94 3.933 8.757 -2.204 1.00 0.00 C ATOM 506 O GLN A 94 4.585 8.647 -3.221 1.00 0.00 O ATOM 507 CB GLN A 94 2.712 10.966 -1.832 1.00 0.00 C ATOM 508 CG GLN A 94 3.335 11.206 -0.482 1.00 0.00 C ATOM 509 CD GLN A 94 4.841 11.369 -0.510 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.407 11.864 -1.472 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.486 10.916 0.526 1.00 0.00 N ATOM 0 H GLN A 94 1.327 9.305 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 94 2.237 9.456 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.302 11.484 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.718 11.412 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.893 12.101 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.084 10.373 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.973 10.510 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.504 10.967 0.555 1.00 0.00 H new ATOM 520 N LYS A 95 4.309 8.207 -1.044 1.00 0.00 N ATOM 521 CA LYS A 95 5.565 7.502 -0.956 1.00 0.00 C ATOM 522 C LYS A 95 5.453 6.134 -1.614 1.00 0.00 C ATOM 523 O LYS A 95 6.428 5.467 -1.836 1.00 0.00 O ATOM 524 CB LYS A 95 6.153 7.453 0.490 1.00 0.00 C ATOM 525 CG LYS A 95 5.475 6.518 1.477 1.00 0.00 C ATOM 526 CD LYS A 95 5.898 5.066 1.281 1.00 0.00 C ATOM 527 CE LYS A 95 5.140 4.168 2.215 1.00 0.00 C ATOM 528 NZ LYS A 95 5.453 2.755 1.979 1.00 0.00 N ATOM 0 H LYS A 95 3.768 8.241 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 95 6.302 8.076 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.203 7.168 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.123 8.461 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.715 6.830 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.394 6.598 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.717 4.764 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.969 4.966 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.381 4.427 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.070 4.330 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.527 2.259 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.698 2.322 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.356 2.680 1.469 1.00 0.00 H new ATOM 542 N TRP A 96 4.246 5.669 -1.816 1.00 0.00 N ATOM 543 CA TRP A 96 4.075 4.470 -2.603 1.00 0.00 C ATOM 544 C TRP A 96 4.173 4.821 -4.064 1.00 0.00 C ATOM 545 O TRP A 96 4.804 4.107 -4.841 1.00 0.00 O ATOM 546 CB TRP A 96 2.774 3.696 -2.310 1.00 0.00 C ATOM 547 CG TRP A 96 2.805 2.737 -1.141 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.816 1.884 -0.797 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.726 2.460 -0.230 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.451 1.126 0.295 1.00 0.00 N ATOM 551 CE2 TRP A 96 2.169 1.460 0.656 1.00 0.00 C ATOM 552 CE3 TRP A 96 0.433 2.972 -0.069 1.00 0.00 C ATOM 553 CZ2 TRP A 96 1.366 0.961 1.681 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.362 2.474 0.946 1.00 0.00 C ATOM 555 CH2 TRP A 96 0.107 1.477 1.809 1.00 0.00 C ATOM 0 H TRP A 96 3.387 6.087 -1.458 1.00 0.00 H new ATOM 0 HA TRP A 96 4.876 3.789 -2.317 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.979 4.421 -2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.503 3.135 -3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.765 1.814 -1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.037 0.431 0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 96 0.063 3.744 -0.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.726 0.194 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.362 2.861 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.539 1.108 2.592 1.00 0.00 H new ATOM 566 N ALA A 97 3.583 5.933 -4.414 1.00 0.00 N ATOM 567 CA ALA A 97 3.599 6.427 -5.764 1.00 0.00 C ATOM 568 C ALA A 97 5.016 6.751 -6.207 1.00 0.00 C ATOM 569 O ALA A 97 5.402 6.424 -7.327 1.00 0.00 O ATOM 570 CB ALA A 97 2.709 7.652 -5.895 1.00 0.00 C ATOM 0 H ALA A 97 3.072 6.528 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 97 3.210 5.644 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.734 8.012 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.686 7.389 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.068 8.436 -5.228 1.00 0.00 H new ATOM 576 N ASP A 98 5.819 7.337 -5.309 1.00 0.00 N ATOM 577 CA ASP A 98 7.194 7.732 -5.701 1.00 0.00 C ATOM 578 C ASP A 98 8.105 6.503 -5.817 1.00 0.00 C ATOM 579 O ASP A 98 9.126 6.533 -6.496 1.00 0.00 O ATOM 580 CB ASP A 98 7.819 8.785 -4.747 1.00 0.00 C ATOM 581 CG ASP A 98 8.604 8.192 -3.592 1.00 0.00 C ATOM 582 OD1 ASP A 98 8.007 7.702 -2.618 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.860 8.198 -3.627 1.00 0.00 O ATOM 0 H ASP A 98 5.563 7.545 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 98 7.109 8.206 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.478 9.435 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.023 9.413 -4.346 1.00 0.00 H new ATOM 588 N LYS A 99 7.705 5.411 -5.178 1.00 0.00 N ATOM 589 CA LYS A 99 8.477 4.171 -5.231 1.00 0.00 C ATOM 590 C LYS A 99 8.029 3.304 -6.400 1.00 0.00 C ATOM 591 O LYS A 99 8.564 2.220 -6.623 1.00 0.00 O ATOM 592 CB LYS A 99 8.365 3.388 -3.918 1.00 0.00 C ATOM 593 CG LYS A 99 8.849 4.147 -2.697 1.00 0.00 C ATOM 594 CD LYS A 99 10.340 4.466 -2.766 1.00 0.00 C ATOM 595 CE LYS A 99 10.785 5.315 -1.583 1.00 0.00 C ATOM 596 NZ LYS A 99 10.168 6.658 -1.591 1.00 0.00 N ATOM 0 H LYS A 99 6.854 5.356 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 99 9.523 4.442 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.324 3.103 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.938 2.465 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.285 5.075 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.647 3.558 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.911 3.538 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.558 4.992 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.527 4.805 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.870 5.416 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.349 7.129 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.578 7.224 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.142 6.568 -1.736 1.00 0.00 H new ATOM 610 N GLY A 100 7.024 3.768 -7.114 1.00 0.00 N ATOM 611 CA GLY A 100 6.580 3.073 -8.299 1.00 0.00 C ATOM 612 C GLY A 100 5.461 2.089 -8.047 1.00 0.00 C ATOM 613 O GLY A 100 5.143 1.271 -8.911 1.00 0.00 O ATOM 0 H GLY A 100 6.504 4.618 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.248 3.805 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.426 2.542 -8.736 1.00 0.00 H new ATOM 617 N TYR A 101 4.857 2.140 -6.879 1.00 0.00 N ATOM 618 CA TYR A 101 3.748 1.248 -6.609 1.00 0.00 C ATOM 619 C TYR A 101 2.511 1.663 -7.384 1.00 0.00 C ATOM 620 O TYR A 101 2.088 2.818 -7.348 1.00 0.00 O ATOM 621 CB TYR A 101 3.430 1.138 -5.122 1.00 0.00 C ATOM 622 CG TYR A 101 4.478 0.426 -4.303 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.431 -0.952 -4.128 1.00 0.00 C ATOM 624 CD2 TYR A 101 5.498 1.126 -3.689 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.376 -1.603 -3.360 1.00 0.00 C ATOM 626 CE2 TYR A 101 6.448 0.484 -2.925 1.00 0.00 C ATOM 627 CZ TYR A 101 6.382 -0.878 -2.763 1.00 0.00 C ATOM 628 OH TYR A 101 7.316 -1.514 -1.986 1.00 0.00 O ATOM 0 H TYR A 101 5.106 2.772 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 101 4.060 0.259 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.293 2.141 -4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.481 0.615 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.644 -1.522 -4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.552 2.198 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.326 -2.674 -3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.240 1.049 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 101 7.956 -0.857 -1.641 1.00 0.00 H new ATOM 638 N THR A 102 1.976 0.734 -8.123 1.00 0.00 N ATOM 639 CA THR A 102 0.775 0.957 -8.862 1.00 0.00 C ATOM 640 C THR A 102 -0.394 0.255 -8.139 1.00 0.00 C ATOM 641 O THR A 102 -0.209 -0.836 -7.582 1.00 0.00 O ATOM 642 CB THR A 102 0.941 0.401 -10.287 1.00 0.00 C ATOM 643 OG1 THR A 102 2.159 0.908 -10.840 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.217 0.832 -11.183 1.00 0.00 C ATOM 0 H THR A 102 2.366 -0.203 -8.228 1.00 0.00 H new ATOM 0 HA THR A 102 0.565 2.024 -8.928 1.00 0.00 H new ATOM 0 HB THR A 102 0.958 -0.688 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.276 0.559 -11.748 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.074 0.425 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.155 0.459 -10.770 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.251 1.920 -11.235 1.00 0.00 H new ATOM 652 N LEU A 103 -1.575 0.900 -8.151 1.00 0.00 N ATOM 653 CA LEU A 103 -2.830 0.411 -7.503 1.00 0.00 C ATOM 654 C LEU A 103 -3.069 -1.092 -7.710 1.00 0.00 C ATOM 655 O LEU A 103 -3.375 -1.802 -6.763 1.00 0.00 O ATOM 656 CB LEU A 103 -4.045 1.258 -8.020 1.00 0.00 C ATOM 657 CG LEU A 103 -5.465 1.019 -7.407 1.00 0.00 C ATOM 658 CD1 LEU A 103 -6.147 -0.225 -7.964 1.00 0.00 C ATOM 659 CD2 LEU A 103 -5.395 0.947 -5.886 1.00 0.00 C ATOM 0 H LEU A 103 -1.698 1.798 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.722 0.545 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.798 2.309 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.122 1.097 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.074 1.875 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.128 -0.340 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.263 -0.124 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.538 -1.102 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.394 0.780 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.743 0.125 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.998 1.884 -5.495 1.00 0.00 H new ATOM 671 N THR A 104 -2.882 -1.560 -8.930 1.00 0.00 N ATOM 672 CA THR A 104 -3.138 -2.952 -9.288 1.00 0.00 C ATOM 673 C THR A 104 -2.331 -3.947 -8.405 1.00 0.00 C ATOM 674 O THR A 104 -2.837 -5.005 -8.030 1.00 0.00 O ATOM 675 CB THR A 104 -2.859 -3.192 -10.810 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.148 -4.539 -11.181 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.410 -2.859 -11.173 1.00 0.00 C ATOM 0 H THR A 104 -2.548 -0.988 -9.706 1.00 0.00 H new ATOM 0 HA THR A 104 -4.193 -3.146 -9.095 1.00 0.00 H new ATOM 0 HB THR A 104 -3.519 -2.524 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.967 -4.661 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.251 -3.037 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.210 -1.812 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.736 -3.491 -10.595 1.00 0.00 H new ATOM 685 N GLN A 105 -1.134 -3.536 -7.989 1.00 0.00 N ATOM 686 CA GLN A 105 -0.229 -4.391 -7.229 1.00 0.00 C ATOM 687 C GLN A 105 -0.665 -4.482 -5.780 1.00 0.00 C ATOM 688 O GLN A 105 -0.350 -5.446 -5.088 1.00 0.00 O ATOM 689 CB GLN A 105 1.183 -3.820 -7.283 1.00 0.00 C ATOM 690 CG GLN A 105 1.730 -3.612 -8.684 1.00 0.00 C ATOM 691 CD GLN A 105 3.115 -2.982 -8.692 1.00 0.00 C ATOM 692 OE1 GLN A 105 3.430 -2.195 -7.682 1.00 0.00 O flip ATOM 693 NE2 GLN A 105 3.896 -3.209 -9.585 1.00 0.00 N flip ATOM 0 H GLN A 105 -0.766 -2.602 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.249 -5.387 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.194 -2.865 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.852 -4.489 -6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.770 -4.572 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.045 -2.977 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.627 -3.822 -10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.825 -2.788 -9.569 1.00 0.00 H new ATOM 702 N LEU A 106 -1.431 -3.493 -5.335 1.00 0.00 N ATOM 703 CA LEU A 106 -1.851 -3.423 -3.946 1.00 0.00 C ATOM 704 C LEU A 106 -2.815 -4.569 -3.637 1.00 0.00 C ATOM 705 O LEU A 106 -2.890 -5.049 -2.506 1.00 0.00 O ATOM 706 CB LEU A 106 -2.502 -2.063 -3.639 1.00 0.00 C ATOM 707 CG LEU A 106 -2.721 -1.747 -2.156 1.00 0.00 C ATOM 708 CD1 LEU A 106 -1.391 -1.526 -1.449 1.00 0.00 C ATOM 709 CD2 LEU A 106 -3.624 -0.548 -1.974 1.00 0.00 C ATOM 0 H LEU A 106 -1.773 -2.729 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.972 -3.522 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.880 -1.278 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.466 -2.020 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.214 -2.608 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.571 -1.303 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.782 -2.426 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.867 -0.690 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.758 -0.352 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.173 0.323 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.593 -0.750 -2.431 1.00 0.00 H new ATOM 721 N SER A 107 -3.498 -5.032 -4.676 1.00 0.00 N ATOM 722 CA SER A 107 -4.447 -6.124 -4.588 1.00 0.00 C ATOM 723 C SER A 107 -3.751 -7.423 -4.141 1.00 0.00 C ATOM 724 O SER A 107 -4.331 -8.228 -3.414 1.00 0.00 O ATOM 725 CB SER A 107 -5.079 -6.330 -5.958 1.00 0.00 C ATOM 726 OG SER A 107 -5.481 -5.085 -6.519 1.00 0.00 O ATOM 0 H SER A 107 -3.403 -4.650 -5.617 1.00 0.00 H new ATOM 0 HA SER A 107 -5.209 -5.876 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.368 -6.821 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.942 -6.991 -5.870 1.00 0.00 H new ATOM 0 HG SER A 107 -4.785 -4.760 -7.127 1.00 0.00 H new ATOM 732 N ASP A 108 -2.497 -7.597 -4.553 1.00 0.00 N ATOM 733 CA ASP A 108 -1.746 -8.804 -4.221 1.00 0.00 C ATOM 734 C ASP A 108 -1.294 -8.772 -2.779 1.00 0.00 C ATOM 735 O ASP A 108 -1.249 -9.807 -2.091 1.00 0.00 O ATOM 736 CB ASP A 108 -0.540 -9.005 -5.150 1.00 0.00 C ATOM 737 CG ASP A 108 0.291 -10.210 -4.741 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.186 -11.355 -4.891 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.407 -10.031 -4.224 1.00 0.00 O ATOM 0 H ASP A 108 -1.982 -6.920 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.418 -9.650 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.888 -9.134 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.084 -8.111 -5.135 1.00 0.00 H new ATOM 744 N PHE A 109 -0.988 -7.602 -2.300 1.00 0.00 N ATOM 745 CA PHE A 109 -0.558 -7.470 -0.934 1.00 0.00 C ATOM 746 C PHE A 109 -1.768 -7.607 -0.008 1.00 0.00 C ATOM 747 O PHE A 109 -1.790 -8.445 0.905 1.00 0.00 O ATOM 748 CB PHE A 109 0.132 -6.113 -0.698 1.00 0.00 C ATOM 749 CG PHE A 109 1.254 -5.796 -1.658 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.250 -6.715 -1.919 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.296 -4.576 -2.306 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.267 -6.422 -2.803 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.309 -4.275 -3.192 1.00 0.00 C ATOM 754 CZ PHE A 109 3.298 -5.199 -3.440 1.00 0.00 C ATOM 0 H PHE A 109 -1.027 -6.730 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 109 0.165 -8.257 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.617 -5.324 -0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.526 -6.094 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.233 -7.675 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.523 -3.846 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.040 -7.151 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.326 -3.317 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.095 -4.968 -4.131 1.00 0.00 H new ATOM 764 N LEU A 110 -2.812 -6.870 -0.331 1.00 0.00 N ATOM 765 CA LEU A 110 -4.017 -6.759 0.493 1.00 0.00 C ATOM 766 C LEU A 110 -5.045 -7.853 0.210 1.00 0.00 C ATOM 767 O LEU A 110 -6.230 -7.710 0.530 1.00 0.00 O ATOM 768 CB LEU A 110 -4.646 -5.366 0.332 1.00 0.00 C ATOM 769 CG LEU A 110 -3.994 -4.192 1.108 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.507 -4.045 0.833 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.707 -2.905 0.770 1.00 0.00 C ATOM 0 H LEU A 110 -2.855 -6.318 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.703 -6.898 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.638 -5.114 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.691 -5.431 0.636 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.095 -4.418 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.112 -3.206 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.991 -4.959 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.350 -3.864 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.248 -2.081 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.631 -2.718 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.757 -2.986 1.051 1.00 0.00 H new ATOM 783 N LYS A 111 -4.587 -8.956 -0.330 1.00 0.00 N ATOM 784 CA LYS A 111 -5.455 -10.092 -0.571 1.00 0.00 C ATOM 785 C LYS A 111 -5.661 -10.860 0.732 1.00 0.00 C ATOM 786 O LYS A 111 -5.094 -10.469 1.784 1.00 0.00 O ATOM 787 CB LYS A 111 -4.956 -11.017 -1.712 1.00 0.00 C ATOM 788 CG LYS A 111 -3.611 -11.703 -1.493 1.00 0.00 C ATOM 789 CD LYS A 111 -3.299 -12.655 -2.653 1.00 0.00 C ATOM 790 CE LYS A 111 -1.942 -13.343 -2.497 1.00 0.00 C ATOM 791 NZ LYS A 111 -0.810 -12.403 -2.631 1.00 0.00 N ATOM 0 H LYS A 111 -3.617 -9.095 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.414 -9.706 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.708 -11.787 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.893 -10.427 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -2.824 -10.954 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.627 -12.257 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.081 -13.412 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.315 -12.098 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.894 -13.827 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.848 -14.128 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.039 -12.817 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.628 -12.220 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.043 -11.509 -2.153 1.00 0.00 H new ATOM 805 N SER A 112 -6.447 -11.948 0.673 1.00 0.00 N ATOM 806 CA SER A 112 -6.853 -12.705 1.868 1.00 0.00 C ATOM 807 C SER A 112 -7.704 -11.766 2.746 1.00 0.00 C ATOM 808 O SER A 112 -7.715 -11.856 3.978 1.00 0.00 O ATOM 809 CB SER A 112 -5.608 -13.236 2.619 1.00 0.00 C ATOM 810 OG SER A 112 -4.764 -13.974 1.732 1.00 0.00 O ATOM 0 H SER A 112 -6.817 -12.326 -0.199 1.00 0.00 H new ATOM 0 HA SER A 112 -7.445 -13.579 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.053 -12.402 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.920 -13.872 3.447 1.00 0.00 H new ATOM 0 HG SER A 112 -3.981 -14.301 2.222 1.00 0.00 H new ATOM 816 N LYS A 113 -8.479 -10.927 2.020 1.00 0.00 N ATOM 817 CA LYS A 113 -9.322 -9.832 2.526 1.00 0.00 C ATOM 818 C LYS A 113 -9.973 -10.124 3.874 1.00 0.00 C ATOM 819 O LYS A 113 -9.736 -9.384 4.824 1.00 0.00 O ATOM 820 CB LYS A 113 -10.387 -9.488 1.469 1.00 0.00 C ATOM 821 CG LYS A 113 -11.328 -8.344 1.847 1.00 0.00 C ATOM 822 CD LYS A 113 -12.361 -8.065 0.748 1.00 0.00 C ATOM 823 CE LYS A 113 -11.710 -7.562 -0.542 1.00 0.00 C ATOM 824 NZ LYS A 113 -11.013 -6.276 -0.344 1.00 0.00 N ATOM 0 H LYS A 113 -8.532 -11.006 1.004 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.668 -8.978 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.883 -9.231 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.983 -10.379 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.843 -8.590 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -10.746 -7.442 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.922 -8.976 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.077 -7.325 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.001 -8.306 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.473 -7.446 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.103 -6.293 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.600 -5.502 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.845 -6.125 0.671 1.00 0.00 H new ATOM 838 N THR A 114 -10.752 -11.219 3.944 1.00 0.00 N ATOM 839 CA THR A 114 -11.472 -11.639 5.157 1.00 0.00 C ATOM 840 C THR A 114 -12.195 -10.470 5.869 1.00 0.00 C ATOM 841 O THR A 114 -11.767 -9.998 6.947 1.00 0.00 O ATOM 842 CB THR A 114 -10.579 -12.486 6.129 1.00 0.00 C ATOM 843 OG1 THR A 114 -9.285 -11.863 6.318 1.00 0.00 O ATOM 844 CG2 THR A 114 -10.384 -13.895 5.583 1.00 0.00 C ATOM 0 H THR A 114 -10.900 -11.843 3.151 1.00 0.00 H new ATOM 0 HA THR A 114 -12.262 -12.308 4.816 1.00 0.00 H new ATOM 0 HB THR A 114 -11.091 -12.537 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.771 -11.918 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 114 -9.762 -14.469 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.353 -14.382 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.897 -13.844 4.609 1.00 0.00 H new ATOM 852 N ARG A 115 -13.277 -10.001 5.216 1.00 0.00 N ATOM 853 CA ARG A 115 -14.056 -8.804 5.601 1.00 0.00 C ATOM 854 C ARG A 115 -13.320 -7.530 5.184 1.00 0.00 C ATOM 855 O ARG A 115 -12.115 -7.570 4.918 1.00 0.00 O ATOM 856 CB ARG A 115 -14.475 -8.769 7.092 1.00 0.00 C ATOM 857 CG ARG A 115 -15.438 -9.881 7.493 1.00 0.00 C ATOM 858 CD ARG A 115 -15.871 -9.757 8.952 1.00 0.00 C ATOM 859 NE ARG A 115 -14.743 -9.899 9.899 1.00 0.00 N ATOM 860 CZ ARG A 115 -14.807 -9.632 11.223 1.00 0.00 C ATOM 861 NH1 ARG A 115 -15.936 -9.146 11.759 1.00 0.00 N ATOM 862 NH2 ARG A 115 -13.740 -9.847 12.005 1.00 0.00 N ATOM 0 H ARG A 115 -13.645 -10.457 4.381 1.00 0.00 H new ATOM 0 HA ARG A 115 -14.997 -8.863 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -13.581 -8.836 7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -14.939 -7.806 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -16.317 -9.850 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -14.961 -10.849 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -16.347 -8.788 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -16.620 -10.518 9.170 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.851 -10.222 9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -16.750 -8.977 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -15.981 -8.946 12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.877 -10.213 11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -13.790 -9.645 13.003 1.00 0.00 H new ATOM 876 N GLY A 116 -14.043 -6.425 5.117 1.00 0.00 N ATOM 877 CA GLY A 116 -13.482 -5.163 4.643 1.00 0.00 C ATOM 878 C GLY A 116 -12.521 -4.510 5.621 1.00 0.00 C ATOM 879 O GLY A 116 -12.843 -3.498 6.244 1.00 0.00 O ATOM 0 H GLY A 116 -15.026 -6.373 5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -12.962 -5.339 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.297 -4.471 4.433 1.00 0.00 H new ATOM 883 N LYS A 117 -11.356 -5.096 5.763 1.00 0.00 N ATOM 884 CA LYS A 117 -10.346 -4.558 6.639 1.00 0.00 C ATOM 885 C LYS A 117 -9.456 -3.594 5.882 1.00 0.00 C ATOM 886 O LYS A 117 -9.422 -2.394 6.174 1.00 0.00 O ATOM 887 CB LYS A 117 -9.497 -5.668 7.290 1.00 0.00 C ATOM 888 CG LYS A 117 -10.291 -6.648 8.148 1.00 0.00 C ATOM 889 CD LYS A 117 -9.382 -7.517 9.032 1.00 0.00 C ATOM 890 CE LYS A 117 -8.421 -8.406 8.240 1.00 0.00 C ATOM 891 NZ LYS A 117 -9.130 -9.376 7.389 1.00 0.00 N ATOM 0 H LYS A 117 -11.084 -5.952 5.279 1.00 0.00 H new ATOM 0 HA LYS A 117 -10.857 -4.024 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.984 -6.224 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.727 -5.205 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.986 -6.095 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.889 -7.291 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.804 -6.869 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.004 -8.146 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.780 -7.781 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.770 -8.941 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.686 -10.311 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.126 -9.434 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.080 -9.069 6.397 1.00 0.00 H new ATOM 905 N TYR A 118 -8.789 -4.095 4.858 1.00 0.00 N ATOM 906 CA TYR A 118 -7.855 -3.271 4.112 1.00 0.00 C ATOM 907 C TYR A 118 -8.564 -2.560 2.988 1.00 0.00 C ATOM 908 O TYR A 118 -7.954 -1.877 2.190 1.00 0.00 O ATOM 909 CB TYR A 118 -6.689 -4.078 3.549 1.00 0.00 C ATOM 910 CG TYR A 118 -6.034 -4.990 4.545 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.390 -4.480 5.665 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.071 -6.370 4.372 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.804 -5.317 6.591 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.489 -7.206 5.291 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.859 -6.680 6.399 1.00 0.00 C ATOM 916 OH TYR A 118 -4.278 -7.527 7.310 1.00 0.00 O ATOM 0 H TYR A 118 -8.874 -5.056 4.527 1.00 0.00 H new ATOM 0 HA TYR A 118 -7.447 -2.542 4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.046 -4.673 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -5.941 -3.389 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.348 -3.411 5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.563 -6.787 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.307 -4.908 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.524 -8.276 5.147 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.409 -8.455 7.024 1.00 0.00 H new ATOM 926 N ASP A 119 -9.856 -2.710 2.935 1.00 0.00 N ATOM 927 CA ASP A 119 -10.660 -2.035 1.937 1.00 0.00 C ATOM 928 C ASP A 119 -10.646 -0.549 2.166 1.00 0.00 C ATOM 929 O ASP A 119 -10.832 0.232 1.237 1.00 0.00 O ATOM 930 CB ASP A 119 -12.074 -2.594 1.894 1.00 0.00 C ATOM 931 CG ASP A 119 -12.078 -3.991 1.343 1.00 0.00 C ATOM 932 OD1 ASP A 119 -11.611 -4.925 2.035 1.00 0.00 O ATOM 933 OD2 ASP A 119 -12.456 -4.180 0.175 1.00 0.00 O ATOM 0 H ASP A 119 -10.387 -3.299 3.576 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.220 -2.221 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.501 -2.592 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.705 -1.953 1.278 1.00 0.00 H new ATOM 938 N ARG A 120 -10.375 -0.165 3.411 1.00 0.00 N ATOM 939 CA ARG A 120 -10.208 1.230 3.778 1.00 0.00 C ATOM 940 C ARG A 120 -8.980 1.792 3.062 1.00 0.00 C ATOM 941 O ARG A 120 -9.072 2.755 2.311 1.00 0.00 O ATOM 942 CB ARG A 120 -10.015 1.376 5.294 1.00 0.00 C ATOM 943 CG ARG A 120 -11.183 0.903 6.143 1.00 0.00 C ATOM 944 CD ARG A 120 -10.882 1.090 7.623 1.00 0.00 C ATOM 945 NE ARG A 120 -12.008 0.692 8.486 1.00 0.00 N ATOM 946 CZ ARG A 120 -12.070 0.903 9.818 1.00 0.00 C ATOM 947 NH1 ARG A 120 -11.017 1.414 10.473 1.00 0.00 N ATOM 948 NH2 ARG A 120 -13.178 0.570 10.497 1.00 0.00 N ATOM 0 H ARG A 120 -10.266 -0.815 4.190 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.104 1.778 3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.125 0.819 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.823 2.425 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -12.082 1.459 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.386 -0.148 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -10.002 0.504 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.637 2.135 7.811 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.799 0.223 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.164 1.645 9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.070 1.571 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.972 0.158 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -13.226 0.729 11.503 1.00 0.00 H new ATOM 962 N VAL A 121 -7.842 1.134 3.271 1.00 0.00 N ATOM 963 CA VAL A 121 -6.581 1.560 2.681 1.00 0.00 C ATOM 964 C VAL A 121 -6.575 1.377 1.152 1.00 0.00 C ATOM 965 O VAL A 121 -6.062 2.214 0.436 1.00 0.00 O ATOM 966 CB VAL A 121 -5.330 0.854 3.355 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.455 -0.636 3.349 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.023 1.280 2.689 1.00 0.00 C ATOM 0 H VAL A 121 -7.771 0.297 3.850 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.489 2.627 2.884 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.310 1.182 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.576 -1.077 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.348 -0.928 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.532 -0.991 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.186 0.778 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.047 1.007 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.902 2.359 2.782 1.00 0.00 H new ATOM 978 N TYR A 122 -7.195 0.308 0.671 1.00 0.00 N ATOM 979 CA TYR A 122 -7.222 0.009 -0.755 1.00 0.00 C ATOM 980 C TYR A 122 -7.984 1.084 -1.537 1.00 0.00 C ATOM 981 O TYR A 122 -7.425 1.718 -2.431 1.00 0.00 O ATOM 982 CB TYR A 122 -7.827 -1.378 -1.004 1.00 0.00 C ATOM 983 CG TYR A 122 -7.727 -1.836 -2.437 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.564 -2.419 -2.908 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.783 -1.674 -3.318 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.450 -2.832 -4.213 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.683 -2.082 -4.626 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.509 -2.665 -5.073 1.00 0.00 C ATOM 989 OH TYR A 122 -7.391 -3.076 -6.379 1.00 0.00 O ATOM 0 H TYR A 122 -7.689 -0.370 1.251 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.193 0.006 -1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.325 -2.104 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.876 -1.365 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.729 -2.552 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.700 -1.220 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.534 -3.285 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.515 -1.949 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.716 -3.784 -6.439 1.00 0.00 H new ATOM 999 N ASN A 123 -9.252 1.286 -1.186 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.091 2.304 -1.847 1.00 0.00 C ATOM 1001 C ASN A 123 -9.535 3.699 -1.643 1.00 0.00 C ATOM 1002 O ASN A 123 -9.609 4.542 -2.542 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.563 2.251 -1.393 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.310 1.020 -1.883 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -12.864 1.014 -2.969 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.363 -0.011 -1.075 1.00 0.00 N ATOM 0 H ASN A 123 -9.728 0.764 -0.450 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.067 2.066 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.599 2.278 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.077 3.143 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -12.878 -0.848 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.889 0.024 -0.172 1.00 0.00 H new ATOM 1013 N GLY A 124 -8.966 3.938 -0.468 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.344 5.209 -0.195 1.00 0.00 C ATOM 1015 C GLY A 124 -7.172 5.444 -1.119 1.00 0.00 C ATOM 1016 O GLY A 124 -7.092 6.480 -1.784 1.00 0.00 O ATOM 0 H GLY A 124 -8.927 3.268 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.074 6.009 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.007 5.239 0.841 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.295 4.448 -1.206 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.120 4.509 -2.054 1.00 0.00 C ATOM 1022 C TYR A 125 -5.512 4.652 -3.505 1.00 0.00 C ATOM 1023 O TYR A 125 -4.901 5.394 -4.215 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.224 3.279 -1.843 1.00 0.00 C ATOM 1025 CG TYR A 125 -2.960 3.253 -2.684 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -1.946 4.172 -2.478 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -2.785 2.304 -3.678 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -0.797 4.145 -3.235 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.638 2.269 -4.434 1.00 0.00 C ATOM 1030 CZ TYR A 125 -0.651 3.188 -4.209 1.00 0.00 C ATOM 1031 OH TYR A 125 0.481 3.155 -4.970 1.00 0.00 O ATOM 0 H TYR A 125 -6.384 3.575 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.546 5.392 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -3.943 3.229 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -4.806 2.383 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.058 4.923 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.564 1.579 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.016 4.871 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.517 1.519 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 125 0.328 3.645 -5.805 1.00 0.00 H new ATOM 1041 N MET A 126 -6.571 3.965 -3.913 1.00 0.00 N ATOM 1042 CA MET A 126 -7.094 4.011 -5.296 1.00 0.00 C ATOM 1043 C MET A 126 -7.315 5.455 -5.773 1.00 0.00 C ATOM 1044 O MET A 126 -7.079 5.781 -6.944 1.00 0.00 O ATOM 1045 CB MET A 126 -8.404 3.210 -5.384 1.00 0.00 C ATOM 1046 CG MET A 126 -9.045 3.178 -6.766 1.00 0.00 C ATOM 1047 SD MET A 126 -10.545 2.172 -6.823 1.00 0.00 S ATOM 1048 CE MET A 126 -11.592 3.016 -5.633 1.00 0.00 C ATOM 0 H MET A 126 -7.104 3.351 -3.297 1.00 0.00 H new ATOM 0 HA MET A 126 -6.350 3.562 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.209 2.186 -5.066 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.119 3.632 -4.678 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.285 4.196 -7.073 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.325 2.789 -7.486 1.00 0.00 H new ATOM 0 HE1 MET A 126 -12.622 3.016 -5.990 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.540 2.501 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.250 4.044 -5.512 1.00 0.00 H new ATOM 1058 N THR A 127 -7.681 6.310 -4.846 1.00 0.00 N ATOM 1059 CA THR A 127 -7.939 7.708 -5.104 1.00 0.00 C ATOM 1060 C THR A 127 -6.644 8.461 -5.553 1.00 0.00 C ATOM 1061 O THR A 127 -6.716 9.495 -6.205 1.00 0.00 O ATOM 1062 CB THR A 127 -8.551 8.359 -3.837 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.661 7.549 -3.398 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.061 9.770 -4.122 1.00 0.00 C ATOM 0 H THR A 127 -7.811 6.047 -3.869 1.00 0.00 H new ATOM 0 HA THR A 127 -8.650 7.785 -5.927 1.00 0.00 H new ATOM 0 HB THR A 127 -7.777 8.422 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.330 6.817 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.483 10.195 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.235 10.393 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.830 9.730 -4.894 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.455 7.892 -5.263 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.186 8.552 -5.621 1.00 0.00 C ATOM 1074 C TYR A 128 -4.034 8.615 -7.149 1.00 0.00 C ATOM 1075 O TYR A 128 -3.280 9.428 -7.668 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.947 7.845 -4.974 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.255 6.774 -5.845 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -2.887 5.594 -6.181 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -0.961 6.967 -6.320 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.280 4.646 -6.954 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.338 6.008 -7.103 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.011 4.849 -7.416 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.417 3.884 -8.202 1.00 0.00 O ATOM 0 H TYR A 128 -5.349 6.994 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.221 9.565 -5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.212 8.607 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.264 7.379 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -3.890 5.415 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.435 7.878 -6.075 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -2.804 3.734 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.667 6.169 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 128 0.474 3.677 -7.849 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.809 7.769 -7.864 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.761 7.713 -9.325 1.00 0.00 C ATOM 1095 C ARG A 129 -5.255 8.996 -9.980 1.00 0.00 C ATOM 1096 O ARG A 129 -5.065 9.190 -11.178 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.550 6.517 -9.917 1.00 0.00 C ATOM 1098 CG ARG A 129 -4.925 5.114 -9.774 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.454 5.060 -10.233 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.144 6.017 -11.310 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.159 6.928 -11.178 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.196 6.715 -10.303 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.116 8.005 -11.949 1.00 0.00 N ATOM 0 H ARG A 129 -5.473 7.119 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.704 7.580 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.534 6.497 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.707 6.709 -10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.987 4.799 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.508 4.401 -10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -2.807 5.262 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.224 4.051 -10.576 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.686 5.990 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.201 5.868 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.446 7.397 -10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.836 8.155 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.363 8.684 -11.835 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.898 9.831 -9.201 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.447 11.096 -9.679 1.00 0.00 C ATOM 1119 C ASP A 130 -5.410 12.216 -9.529 1.00 0.00 C ATOM 1120 O ASP A 130 -5.476 13.241 -10.194 1.00 0.00 O ATOM 1121 CB ASP A 130 -7.718 11.416 -8.860 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.425 12.707 -9.254 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -9.106 12.716 -10.300 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -8.355 13.690 -8.476 1.00 0.00 O ATOM 0 H ASP A 130 -6.061 9.659 -8.209 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.701 11.018 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.419 10.588 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.449 11.473 -7.805 1.00 0.00 H new ATOM 1129 N TYR A 131 -4.390 11.975 -8.705 1.00 0.00 N ATOM 1130 CA TYR A 131 -3.444 13.036 -8.390 1.00 0.00 C ATOM 1131 C TYR A 131 -2.009 12.735 -8.822 1.00 0.00 C ATOM 1132 O TYR A 131 -1.289 13.647 -9.232 1.00 0.00 O ATOM 1133 CB TYR A 131 -3.484 13.354 -6.888 1.00 0.00 C ATOM 1134 CG TYR A 131 -4.862 13.726 -6.392 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -5.419 14.958 -6.698 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -5.611 12.836 -5.630 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -6.684 15.294 -6.266 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -6.876 13.166 -5.190 1.00 0.00 C ATOM 1139 CZ TYR A 131 -7.408 14.394 -5.514 1.00 0.00 C ATOM 1140 OH TYR A 131 -8.669 14.725 -5.090 1.00 0.00 O ATOM 0 H TYR A 131 -4.203 11.078 -8.256 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.762 13.904 -8.968 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -3.126 12.488 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -2.797 14.174 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -4.852 15.666 -7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.196 11.871 -5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -7.105 16.257 -6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -7.445 12.466 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 131 -9.045 13.983 -4.572 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.578 11.485 -8.715 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.203 11.128 -9.065 1.00 0.00 C ATOM 1152 C VAL A 132 -0.220 9.820 -9.845 1.00 0.00 C ATOM 1153 O VAL A 132 -0.067 8.755 -9.230 1.00 0.00 O ATOM 1154 CB VAL A 132 0.718 10.947 -7.794 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.178 10.735 -8.195 1.00 0.00 C ATOM 1156 CG2 VAL A 132 0.604 12.123 -6.826 1.00 0.00 C ATOM 1157 OXT VAL A 132 -0.456 9.838 -11.067 1.00 0.00 O ATOM 0 H VAL A 132 -2.152 10.706 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 132 0.209 11.944 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 132 0.363 10.056 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 132 2.787 10.614 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 132 2.259 9.841 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 132 2.530 11.599 -8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 132 1.255 11.953 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 132 0.903 13.041 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -0.427 12.215 -6.486 1.00 0.00 H new TER 1167 VAL A 132