USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Set 1.1: A 90 LYS NZ :NH3+ -116:sc= 0.929 (180deg=-0.542) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -1.94! F(o=-5.6,f=-1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= -3.35! (180deg=-3.35!) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc=-0.00403 (180deg=-0.27) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc=-0.00385 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -2.43! C(o=-2.4!,f=-3.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 124 MET CE :methyl -158:sc= -0.191 (180deg=-1.18) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.6!) USER MOD Single : A 138 TYR OH : rot 109:sc= 0.763 USER MOD Single : A 143 LYS NZ :NH3+ -163:sc= -0.0148 (180deg=-0.289) USER MOD Single : A 144 MET CE :methyl 134:sc= -0.234 (180deg=-1.34!) USER MOD Single : A 145 MET CE :methyl 160:sc= -0.454 (180deg=-1.86) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -19.261 -5.803 5.296 1.00 0.00 N ATOM 2 CA ASP A 80 -18.258 -6.906 5.297 1.00 0.00 C ATOM 3 C ASP A 80 -17.031 -6.484 4.502 1.00 0.00 C ATOM 4 O ASP A 80 -15.953 -6.287 5.062 1.00 0.00 O ATOM 5 CB ASP A 80 -18.877 -8.156 4.674 1.00 0.00 C ATOM 6 CG ASP A 80 -17.985 -9.365 4.932 1.00 0.00 C ATOM 7 OD1 ASP A 80 -16.810 -9.165 5.194 1.00 0.00 O ATOM 8 OD2 ASP A 80 -18.490 -10.474 4.869 1.00 0.00 O ATOM 0 HA ASP A 80 -17.959 -7.125 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.868 -8.329 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.006 -8.012 3.601 1.00 0.00 H new ATOM 15 N ALA A 81 -17.196 -6.348 3.194 1.00 0.00 N ATOM 16 CA ALA A 81 -16.081 -5.954 2.348 1.00 0.00 C ATOM 17 C ALA A 81 -15.423 -4.703 2.914 1.00 0.00 C ATOM 18 O ALA A 81 -14.199 -4.632 3.031 1.00 0.00 O ATOM 19 CB ALA A 81 -16.567 -5.682 0.922 1.00 0.00 C ATOM 0 H ALA A 81 -18.076 -6.502 2.703 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.354 -6.766 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.722 -5.388 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -17.021 -6.585 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -17.304 -4.879 0.936 1.00 0.00 H new ATOM 25 N GLU A 82 -16.238 -3.717 3.266 1.00 0.00 N ATOM 26 CA GLU A 82 -15.715 -2.475 3.813 1.00 0.00 C ATOM 27 C GLU A 82 -15.033 -2.725 5.157 1.00 0.00 C ATOM 28 O GLU A 82 -14.036 -2.083 5.489 1.00 0.00 O ATOM 29 CB GLU A 82 -16.855 -1.452 3.974 1.00 0.00 C ATOM 30 CG GLU A 82 -16.307 -0.039 3.779 1.00 0.00 C ATOM 31 CD GLU A 82 -15.178 0.213 4.770 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.344 -0.139 5.927 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.163 0.752 4.360 1.00 0.00 O ATOM 0 H GLU A 82 -17.254 -3.753 3.183 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.973 -2.074 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.642 -1.651 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.304 -1.546 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.943 0.083 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.101 0.693 3.924 1.00 0.00 H new ATOM 40 N GLU A 83 -15.569 -3.672 5.916 1.00 0.00 N ATOM 41 CA GLU A 83 -14.983 -4.000 7.207 1.00 0.00 C ATOM 42 C GLU A 83 -13.569 -4.528 7.001 1.00 0.00 C ATOM 43 O GLU A 83 -12.591 -3.858 7.334 1.00 0.00 O ATOM 44 CB GLU A 83 -15.833 -5.044 7.937 1.00 0.00 C ATOM 45 CG GLU A 83 -15.250 -5.291 9.330 1.00 0.00 C ATOM 46 CD GLU A 83 -16.108 -6.300 10.083 1.00 0.00 C ATOM 47 OE1 GLU A 83 -15.976 -7.483 9.811 1.00 0.00 O ATOM 48 OE2 GLU A 83 -16.886 -5.877 10.923 1.00 0.00 O ATOM 0 H GLU A 83 -16.394 -4.217 5.666 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.950 -3.099 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.863 -4.698 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.853 -5.974 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.228 -5.662 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.204 -4.354 9.885 1.00 0.00 H new ATOM 55 N GLU A 84 -13.467 -5.733 6.449 1.00 0.00 N ATOM 56 CA GLU A 84 -12.165 -6.344 6.205 1.00 0.00 C ATOM 57 C GLU A 84 -11.190 -5.322 5.623 1.00 0.00 C ATOM 58 O GLU A 84 -10.007 -5.326 5.963 1.00 0.00 O ATOM 59 CB GLU A 84 -12.309 -7.524 5.237 1.00 0.00 C ATOM 60 CG GLU A 84 -13.125 -8.642 5.893 1.00 0.00 C ATOM 61 CD GLU A 84 -12.374 -9.215 7.091 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.205 -9.528 6.938 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.977 -9.326 8.146 1.00 0.00 O ATOM 0 H GLU A 84 -14.264 -6.302 6.164 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.773 -6.702 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.798 -7.195 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.324 -7.898 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.092 -8.255 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.322 -9.431 5.167 1.00 0.00 H new ATOM 70 N LEU A 85 -11.681 -4.444 4.747 1.00 0.00 N ATOM 71 CA LEU A 85 -10.814 -3.435 4.147 1.00 0.00 C ATOM 72 C LEU A 85 -10.244 -2.519 5.227 1.00 0.00 C ATOM 73 O LEU A 85 -9.052 -2.210 5.219 1.00 0.00 O ATOM 74 CB LEU A 85 -11.602 -2.610 3.118 1.00 0.00 C ATOM 75 CG LEU A 85 -11.747 -3.401 1.806 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.775 -2.703 0.909 1.00 0.00 C ATOM 77 CD2 LEU A 85 -10.388 -3.494 1.071 1.00 0.00 C ATOM 0 H LEU A 85 -12.654 -4.412 4.443 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.988 -3.936 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.587 -2.365 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.091 -1.666 2.928 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.082 -4.412 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.882 -3.259 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.737 -2.663 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.438 -1.690 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.512 -4.057 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.030 -2.491 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.663 -4.000 1.709 1.00 0.00 H new ATOM 89 N LYS A 86 -11.090 -2.099 6.162 1.00 0.00 N ATOM 90 CA LYS A 86 -10.628 -1.235 7.241 1.00 0.00 C ATOM 91 C LYS A 86 -9.568 -1.952 8.071 1.00 0.00 C ATOM 92 O LYS A 86 -8.563 -1.353 8.456 1.00 0.00 O ATOM 93 CB LYS A 86 -11.800 -0.802 8.140 1.00 0.00 C ATOM 94 CG LYS A 86 -12.531 0.391 7.515 1.00 0.00 C ATOM 95 CD LYS A 86 -13.727 0.771 8.391 1.00 0.00 C ATOM 96 CE LYS A 86 -14.245 2.151 7.980 1.00 0.00 C ATOM 97 NZ LYS A 86 -14.734 2.110 6.575 1.00 0.00 N ATOM 0 H LYS A 86 -12.081 -2.338 6.195 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.189 -0.341 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.492 -1.633 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.430 -0.534 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.852 1.238 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.868 0.139 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.518 0.028 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.434 0.779 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.051 2.460 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.450 2.891 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.085 3.050 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.955 1.834 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.505 1.417 6.496 1.00 0.00 H new ATOM 111 N GLU A 87 -9.789 -3.232 8.339 1.00 0.00 N ATOM 112 CA GLU A 87 -8.829 -4.000 9.120 1.00 0.00 C ATOM 113 C GLU A 87 -7.510 -4.117 8.363 1.00 0.00 C ATOM 114 O GLU A 87 -6.451 -3.775 8.890 1.00 0.00 O ATOM 115 CB GLU A 87 -9.387 -5.398 9.410 1.00 0.00 C ATOM 116 CG GLU A 87 -8.561 -6.075 10.513 1.00 0.00 C ATOM 117 CD GLU A 87 -7.191 -6.469 9.972 1.00 0.00 C ATOM 118 OE1 GLU A 87 -7.093 -6.712 8.781 1.00 0.00 O ATOM 119 OE2 GLU A 87 -6.258 -6.519 10.757 1.00 0.00 O ATOM 0 H GLU A 87 -10.610 -3.754 8.033 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.652 -3.484 10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.430 -5.325 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.364 -6.003 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.446 -5.398 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.084 -6.958 10.880 1.00 0.00 H new ATOM 126 N ALA A 88 -7.578 -4.598 7.125 1.00 0.00 N ATOM 127 CA ALA A 88 -6.376 -4.751 6.315 1.00 0.00 C ATOM 128 C ALA A 88 -5.635 -3.422 6.227 1.00 0.00 C ATOM 129 O ALA A 88 -4.426 -3.354 6.461 1.00 0.00 O ATOM 130 CB ALA A 88 -6.742 -5.236 4.912 1.00 0.00 C ATOM 0 H ALA A 88 -8.442 -4.885 6.666 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.728 -5.491 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.835 -5.346 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.250 -6.198 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.402 -4.510 4.437 1.00 0.00 H new ATOM 136 N PHE A 89 -6.366 -2.364 5.895 1.00 0.00 N ATOM 137 CA PHE A 89 -5.765 -1.042 5.787 1.00 0.00 C ATOM 138 C PHE A 89 -5.113 -0.656 7.107 1.00 0.00 C ATOM 139 O PHE A 89 -4.015 -0.099 7.129 1.00 0.00 O ATOM 140 CB PHE A 89 -6.828 -0.008 5.411 1.00 0.00 C ATOM 141 CG PHE A 89 -6.164 1.328 5.174 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.807 2.136 6.259 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.913 1.762 3.868 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.198 3.377 6.039 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.305 2.999 3.647 1.00 0.00 C ATOM 146 CZ PHE A 89 -4.949 3.808 4.730 1.00 0.00 C ATOM 0 H PHE A 89 -7.366 -2.395 5.698 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.004 -1.066 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.360 -0.326 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.567 0.077 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.002 1.802 7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.190 1.139 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.921 4.000 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.109 3.331 2.638 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.482 4.766 4.557 1.00 0.00 H new ATOM 156 N LYS A 90 -5.796 -0.953 8.206 1.00 0.00 N ATOM 157 CA LYS A 90 -5.274 -0.632 9.527 1.00 0.00 C ATOM 158 C LYS A 90 -3.945 -1.348 9.771 1.00 0.00 C ATOM 159 O LYS A 90 -3.059 -0.813 10.437 1.00 0.00 O ATOM 160 CB LYS A 90 -6.286 -1.040 10.602 1.00 0.00 C ATOM 161 CG LYS A 90 -5.812 -0.547 11.972 1.00 0.00 C ATOM 162 CD LYS A 90 -6.874 -0.866 13.028 1.00 0.00 C ATOM 163 CE LYS A 90 -6.403 -0.371 14.398 1.00 0.00 C ATOM 164 NZ LYS A 90 -6.238 1.111 14.366 1.00 0.00 N ATOM 0 H LYS A 90 -6.707 -1.413 8.209 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.105 0.444 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.265 -0.619 10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.400 -2.124 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.868 -1.025 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.628 0.527 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.818 -0.390 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.057 -1.940 13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.126 -0.650 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.458 -0.846 14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.238 1.352 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.546 1.475 13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.815 1.541 15.117 1.00 0.00 H new ATOM 178 N VAL A 91 -3.804 -2.553 9.219 1.00 0.00 N ATOM 179 CA VAL A 91 -2.564 -3.309 9.382 1.00 0.00 C ATOM 180 C VAL A 91 -1.412 -2.630 8.636 1.00 0.00 C ATOM 181 O VAL A 91 -0.323 -2.459 9.184 1.00 0.00 O ATOM 182 CB VAL A 91 -2.747 -4.743 8.874 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.403 -5.477 8.902 1.00 0.00 C ATOM 184 CG2 VAL A 91 -3.739 -5.478 9.778 1.00 0.00 C ATOM 0 H VAL A 91 -4.521 -3.020 8.664 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.318 -3.337 10.443 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.126 -4.717 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.538 -6.496 8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.690 -4.956 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.023 -5.502 9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.871 -6.499 9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.355 -5.499 10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.698 -4.961 9.762 1.00 0.00 H new ATOM 194 N PHE A 92 -1.661 -2.246 7.384 1.00 0.00 N ATOM 195 CA PHE A 92 -0.629 -1.587 6.580 1.00 0.00 C ATOM 196 C PHE A 92 -0.330 -0.199 7.134 1.00 0.00 C ATOM 197 O PHE A 92 0.807 0.270 7.082 1.00 0.00 O ATOM 198 CB PHE A 92 -1.065 -1.465 5.113 1.00 0.00 C ATOM 199 CG PHE A 92 -1.787 -2.720 4.673 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.316 -3.987 5.047 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.942 -2.610 3.893 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.001 -5.136 4.639 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.627 -3.757 3.488 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.157 -5.022 3.860 1.00 0.00 C ATOM 0 H PHE A 92 -2.554 -2.377 6.909 1.00 0.00 H new ATOM 0 HA PHE A 92 0.271 -2.200 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.718 -0.600 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.193 -1.298 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.424 -4.075 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.305 -1.635 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.637 -6.112 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.520 -3.668 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.687 -5.909 3.546 1.00 0.00 H new ATOM 214 N ASP A 93 -1.361 0.456 7.652 1.00 0.00 N ATOM 215 CA ASP A 93 -1.199 1.795 8.200 1.00 0.00 C ATOM 216 C ASP A 93 -0.431 1.744 9.516 1.00 0.00 C ATOM 217 O ASP A 93 -0.947 2.135 10.563 1.00 0.00 O ATOM 218 CB ASP A 93 -2.570 2.435 8.429 1.00 0.00 C ATOM 219 CG ASP A 93 -2.424 3.945 8.580 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.303 4.423 8.496 1.00 0.00 O ATOM 221 OD2 ASP A 93 -3.432 4.603 8.777 1.00 0.00 O ATOM 0 H ASP A 93 -2.310 0.086 7.704 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.634 2.395 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.231 2.207 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.031 2.015 9.323 1.00 0.00 H new ATOM 226 N LYS A 94 0.797 1.243 9.459 1.00 0.00 N ATOM 227 CA LYS A 94 1.607 1.130 10.665 1.00 0.00 C ATOM 228 C LYS A 94 1.641 2.468 11.400 1.00 0.00 C ATOM 229 O LYS A 94 1.465 2.517 12.617 1.00 0.00 O ATOM 230 CB LYS A 94 3.040 0.700 10.309 1.00 0.00 C ATOM 231 CG LYS A 94 3.757 0.151 11.560 1.00 0.00 C ATOM 232 CD LYS A 94 3.456 -1.344 11.735 1.00 0.00 C ATOM 233 CE LYS A 94 4.200 -1.872 12.962 1.00 0.00 C ATOM 234 NZ LYS A 94 3.591 -1.299 14.194 1.00 0.00 N ATOM 0 H LYS A 94 1.248 0.913 8.605 1.00 0.00 H new ATOM 0 HA LYS A 94 1.161 0.375 11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.016 -0.063 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.593 1.549 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.832 0.304 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.432 0.700 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.383 -1.499 11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.762 -1.894 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.150 -2.960 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.255 -1.603 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.887 -1.858 15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.906 -0.315 14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.554 -1.324 14.113 1.00 0.00 H new ATOM 248 N ASP A 95 1.876 3.547 10.661 1.00 0.00 N ATOM 249 CA ASP A 95 1.938 4.873 11.264 1.00 0.00 C ATOM 250 C ASP A 95 0.547 5.309 11.711 1.00 0.00 C ATOM 251 O ASP A 95 0.388 6.337 12.370 1.00 0.00 O ATOM 252 CB ASP A 95 2.479 5.888 10.252 1.00 0.00 C ATOM 253 CG ASP A 95 3.641 5.286 9.473 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.654 4.994 10.085 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.496 5.127 8.271 1.00 0.00 O ATOM 0 H ASP A 95 2.025 3.530 9.652 1.00 0.00 H new ATOM 0 HA ASP A 95 2.603 4.830 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.687 6.185 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.807 6.789 10.770 1.00 0.00 H new ATOM 260 N GLN A 96 -0.453 4.522 11.343 1.00 0.00 N ATOM 261 CA GLN A 96 -1.830 4.834 11.706 1.00 0.00 C ATOM 262 C GLN A 96 -2.152 6.286 11.348 1.00 0.00 C ATOM 263 O GLN A 96 -2.921 6.952 12.040 1.00 0.00 O ATOM 264 CB GLN A 96 -2.033 4.616 13.212 1.00 0.00 C ATOM 265 CG GLN A 96 -3.528 4.465 13.527 1.00 0.00 C ATOM 266 CD GLN A 96 -3.999 3.059 13.171 1.00 0.00 C ATOM 267 OE1 GLN A 96 -3.688 2.061 13.951 1.00 0.00 O flip ATOM 268 NE2 GLN A 96 -4.668 2.866 12.156 1.00 0.00 N flip ATOM 0 H GLN A 96 -0.340 3.668 10.797 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.499 4.175 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.494 3.725 13.534 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.620 5.457 13.768 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.706 4.660 14.585 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.102 5.202 12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.910 3.649 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.981 1.924 11.923 1.00 0.00 H new ATOM 277 N ASN A 97 -1.543 6.782 10.273 1.00 0.00 N ATOM 278 CA ASN A 97 -1.763 8.165 9.848 1.00 0.00 C ATOM 279 C ASN A 97 -2.925 8.265 8.866 1.00 0.00 C ATOM 280 O ASN A 97 -3.209 9.341 8.342 1.00 0.00 O ATOM 281 CB ASN A 97 -0.494 8.711 9.190 1.00 0.00 C ATOM 282 CG ASN A 97 -0.169 7.908 7.936 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.737 6.837 7.718 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.716 8.363 7.092 1.00 0.00 N ATOM 0 H ASN A 97 -0.899 6.254 9.684 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.008 8.754 10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.631 9.762 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.339 8.660 9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.938 7.832 6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.185 9.250 7.274 1.00 0.00 H new ATOM 291 N GLY A 98 -3.606 7.148 8.625 1.00 0.00 N ATOM 292 CA GLY A 98 -4.744 7.140 7.710 1.00 0.00 C ATOM 293 C GLY A 98 -4.292 7.016 6.256 1.00 0.00 C ATOM 294 O GLY A 98 -5.116 6.861 5.356 1.00 0.00 O ATOM 0 H GLY A 98 -3.392 6.244 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.406 6.311 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.320 8.057 7.836 1.00 0.00 H new ATOM 298 N TYR A 99 -2.978 7.093 6.034 1.00 0.00 N ATOM 299 CA TYR A 99 -2.415 6.991 4.682 1.00 0.00 C ATOM 300 C TYR A 99 -1.300 5.952 4.647 1.00 0.00 C ATOM 301 O TYR A 99 -0.427 5.951 5.513 1.00 0.00 O ATOM 302 CB TYR A 99 -1.839 8.346 4.266 1.00 0.00 C ATOM 303 CG TYR A 99 -2.970 9.295 3.973 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.630 9.943 5.019 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.359 9.518 2.652 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.684 10.818 4.744 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.412 10.393 2.373 1.00 0.00 C ATOM 308 CZ TYR A 99 -5.077 11.044 3.419 1.00 0.00 C ATOM 309 OH TYR A 99 -6.118 11.909 3.146 1.00 0.00 O ATOM 0 H TYR A 99 -2.284 7.225 6.770 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.208 6.692 3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.209 8.746 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.207 8.231 3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.326 9.768 6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.847 9.015 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.195 11.320 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.713 10.567 1.350 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.261 11.953 2.178 1.00 0.00 H new ATOM 319 N ILE A 100 -1.309 5.078 3.638 1.00 0.00 N ATOM 320 CA ILE A 100 -0.256 4.066 3.528 1.00 0.00 C ATOM 321 C ILE A 100 0.949 4.677 2.819 1.00 0.00 C ATOM 322 O ILE A 100 0.811 5.293 1.755 1.00 0.00 O ATOM 323 CB ILE A 100 -0.742 2.836 2.754 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.094 2.375 3.307 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.281 1.710 2.910 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.619 1.205 2.469 1.00 0.00 C ATOM 0 H ILE A 100 -2.015 5.049 2.902 1.00 0.00 H new ATOM 0 HA ILE A 100 0.020 3.742 4.531 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.855 3.091 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.988 2.071 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.807 3.199 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.059 0.831 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.243 2.035 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.389 1.460 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.581 0.878 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.741 1.525 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.909 0.379 2.512 1.00 0.00 H new ATOM 338 N SER A 101 2.129 4.513 3.418 1.00 0.00 N ATOM 339 CA SER A 101 3.360 5.062 2.843 1.00 0.00 C ATOM 340 C SER A 101 4.111 3.990 2.064 1.00 0.00 C ATOM 341 O SER A 101 3.931 2.797 2.305 1.00 0.00 O ATOM 342 CB SER A 101 4.258 5.613 3.952 1.00 0.00 C ATOM 343 OG SER A 101 3.468 6.351 4.873 1.00 0.00 O ATOM 0 H SER A 101 2.260 4.008 4.295 1.00 0.00 H new ATOM 0 HA SER A 101 3.090 5.869 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.766 4.796 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.032 6.252 3.526 1.00 0.00 H new ATOM 0 HG SER A 101 4.041 6.704 5.586 1.00 0.00 H new ATOM 349 N ALA A 102 4.951 4.419 1.129 1.00 0.00 N ATOM 350 CA ALA A 102 5.713 3.472 0.328 1.00 0.00 C ATOM 351 C ALA A 102 6.442 2.497 1.242 1.00 0.00 C ATOM 352 O ALA A 102 6.488 1.297 0.971 1.00 0.00 O ATOM 353 CB ALA A 102 6.721 4.209 -0.557 1.00 0.00 C ATOM 0 H ALA A 102 5.119 5.401 0.910 1.00 0.00 H new ATOM 0 HA ALA A 102 5.025 2.921 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.282 3.486 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.191 4.890 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.409 4.777 0.070 1.00 0.00 H new ATOM 359 N SER A 103 7.005 3.013 2.328 1.00 0.00 N ATOM 360 CA SER A 103 7.722 2.164 3.268 1.00 0.00 C ATOM 361 C SER A 103 6.793 1.081 3.819 1.00 0.00 C ATOM 362 O SER A 103 7.184 -0.074 3.947 1.00 0.00 O ATOM 363 CB SER A 103 8.286 3.005 4.414 1.00 0.00 C ATOM 364 OG SER A 103 7.221 3.673 5.076 1.00 0.00 O ATOM 0 H SER A 103 6.979 4.002 2.577 1.00 0.00 H new ATOM 0 HA SER A 103 8.548 1.684 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.824 2.368 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.002 3.731 4.029 1.00 0.00 H new ATOM 0 HG SER A 103 7.580 4.211 5.812 1.00 0.00 H new ATOM 370 N GLU A 104 5.558 1.450 4.137 1.00 0.00 N ATOM 371 CA GLU A 104 4.608 0.491 4.651 1.00 0.00 C ATOM 372 C GLU A 104 4.210 -0.518 3.573 1.00 0.00 C ATOM 373 O GLU A 104 4.054 -1.710 3.850 1.00 0.00 O ATOM 374 CB GLU A 104 3.378 1.244 5.153 1.00 0.00 C ATOM 375 CG GLU A 104 3.730 1.996 6.435 1.00 0.00 C ATOM 376 CD GLU A 104 2.464 2.544 7.077 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.436 2.534 6.420 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.540 2.988 8.210 1.00 0.00 O ATOM 0 H GLU A 104 5.200 2.401 4.046 1.00 0.00 H new ATOM 0 HA GLU A 104 5.064 -0.065 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.031 1.943 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.562 0.546 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.241 1.329 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.418 2.812 6.212 1.00 0.00 H new ATOM 385 N LEU A 105 4.041 -0.036 2.346 1.00 0.00 N ATOM 386 CA LEU A 105 3.649 -0.907 1.241 1.00 0.00 C ATOM 387 C LEU A 105 4.716 -1.982 1.019 1.00 0.00 C ATOM 388 O LEU A 105 4.402 -3.157 0.818 1.00 0.00 O ATOM 389 CB LEU A 105 3.469 -0.063 -0.040 1.00 0.00 C ATOM 390 CG LEU A 105 2.445 -0.710 -0.996 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.816 -2.172 -1.273 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.022 -0.639 -0.394 1.00 0.00 C ATOM 0 H LEU A 105 4.168 0.944 2.092 1.00 0.00 H new ATOM 0 HA LEU A 105 2.706 -1.397 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.138 0.941 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.428 0.042 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 105 2.461 -0.157 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.083 -2.612 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.804 -2.216 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.825 -2.729 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.313 -1.100 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.003 -1.170 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.747 0.403 -0.233 1.00 0.00 H new ATOM 404 N ARG A 106 5.977 -1.576 1.076 1.00 0.00 N ATOM 405 CA ARG A 106 7.065 -2.525 0.892 1.00 0.00 C ATOM 406 C ARG A 106 7.048 -3.555 2.024 1.00 0.00 C ATOM 407 O ARG A 106 7.202 -4.749 1.793 1.00 0.00 O ATOM 408 CB ARG A 106 8.428 -1.774 0.818 1.00 0.00 C ATOM 409 CG ARG A 106 9.208 -1.887 2.141 1.00 0.00 C ATOM 410 CD ARG A 106 10.451 -1.012 2.112 1.00 0.00 C ATOM 411 NE ARG A 106 11.195 -1.211 3.350 1.00 0.00 N ATOM 412 CZ ARG A 106 10.836 -0.594 4.473 1.00 0.00 C ATOM 413 NH1 ARG A 106 9.796 0.194 4.482 1.00 0.00 N ATOM 414 NH2 ARG A 106 11.511 -0.795 5.572 1.00 0.00 N ATOM 0 H ARG A 106 6.268 -0.613 1.245 1.00 0.00 H new ATOM 0 HA ARG A 106 6.931 -3.056 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.027 -2.185 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.253 -0.723 0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.568 -1.590 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.493 -2.925 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.072 -1.267 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.172 0.036 2.004 1.00 0.00 H new ATOM 0 HE ARG A 106 12.003 -1.833 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.257 0.337 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.522 0.666 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.313 -1.425 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.236 -0.322 6.433 1.00 0.00 H new ATOM 428 N HIS A 107 6.870 -3.081 3.250 1.00 0.00 N ATOM 429 CA HIS A 107 6.863 -3.976 4.396 1.00 0.00 C ATOM 430 C HIS A 107 5.876 -5.098 4.154 1.00 0.00 C ATOM 431 O HIS A 107 6.152 -6.259 4.451 1.00 0.00 O ATOM 432 CB HIS A 107 6.496 -3.203 5.663 1.00 0.00 C ATOM 433 CG HIS A 107 6.626 -4.108 6.855 1.00 0.00 C ATOM 434 ND1 HIS A 107 5.541 -4.446 7.647 1.00 0.00 N ATOM 435 CD2 HIS A 107 7.706 -4.758 7.401 1.00 0.00 C ATOM 436 CE1 HIS A 107 5.986 -5.265 8.617 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.299 -5.488 8.513 1.00 0.00 N ATOM 0 H HIS A 107 6.730 -2.096 3.474 1.00 0.00 H new ATOM 0 HA HIS A 107 7.857 -4.402 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.149 -2.338 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.476 -2.825 5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.717 -4.710 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.358 -5.690 9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.879 -6.069 9.119 1.00 0.00 H new ATOM 446 N VAL A 108 4.734 -4.748 3.588 1.00 0.00 N ATOM 447 CA VAL A 108 3.723 -5.742 3.279 1.00 0.00 C ATOM 448 C VAL A 108 4.233 -6.693 2.197 1.00 0.00 C ATOM 449 O VAL A 108 3.996 -7.896 2.260 1.00 0.00 O ATOM 450 CB VAL A 108 2.434 -5.067 2.812 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.428 -6.136 2.372 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.843 -4.260 3.968 1.00 0.00 C ATOM 0 H VAL A 108 4.486 -3.792 3.335 1.00 0.00 H new ATOM 0 HA VAL A 108 3.512 -6.312 4.184 1.00 0.00 H new ATOM 0 HB VAL A 108 2.650 -4.405 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.508 -5.655 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.850 -6.718 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.209 -6.796 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.923 -3.776 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.625 -4.926 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.559 -3.502 4.286 1.00 0.00 H new ATOM 462 N MET A 109 4.921 -6.153 1.193 1.00 0.00 N ATOM 463 CA MET A 109 5.425 -6.987 0.104 1.00 0.00 C ATOM 464 C MET A 109 6.381 -8.056 0.641 1.00 0.00 C ATOM 465 O MET A 109 6.273 -9.228 0.279 1.00 0.00 O ATOM 466 CB MET A 109 6.154 -6.106 -0.922 1.00 0.00 C ATOM 467 CG MET A 109 5.134 -5.345 -1.774 1.00 0.00 C ATOM 468 SD MET A 109 4.246 -6.503 -2.844 1.00 0.00 S ATOM 469 CE MET A 109 2.873 -5.402 -3.266 1.00 0.00 C ATOM 0 H MET A 109 5.139 -5.160 1.110 1.00 0.00 H new ATOM 0 HA MET A 109 4.582 -7.486 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.810 -5.402 -0.409 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.786 -6.723 -1.561 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.430 -4.817 -1.130 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.640 -4.592 -2.378 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.184 -5.919 -3.934 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.347 -5.111 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.260 -4.512 -3.762 1.00 0.00 H new ATOM 479 N ILE A 110 7.295 -7.660 1.522 1.00 0.00 N ATOM 480 CA ILE A 110 8.234 -8.616 2.115 1.00 0.00 C ATOM 481 C ILE A 110 7.475 -9.614 2.996 1.00 0.00 C ATOM 482 O ILE A 110 7.749 -10.813 2.967 1.00 0.00 O ATOM 483 CB ILE A 110 9.307 -7.871 2.944 1.00 0.00 C ATOM 484 CG1 ILE A 110 10.420 -7.353 2.020 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.927 -8.810 3.994 1.00 0.00 C ATOM 486 CD1 ILE A 110 9.820 -6.583 0.844 1.00 0.00 C ATOM 0 H ILE A 110 7.408 -6.697 1.840 1.00 0.00 H new ATOM 0 HA ILE A 110 8.735 -9.162 1.316 1.00 0.00 H new ATOM 0 HB ILE A 110 8.826 -7.034 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.095 -6.706 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 110 11.014 -8.189 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.679 -8.268 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.148 -9.169 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.394 -9.658 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.621 -6.222 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.164 -7.241 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.247 -5.735 1.219 1.00 0.00 H new ATOM 498 N ASN A 111 6.529 -9.107 3.782 1.00 0.00 N ATOM 499 CA ASN A 111 5.749 -9.962 4.671 1.00 0.00 C ATOM 500 C ASN A 111 4.961 -10.988 3.866 1.00 0.00 C ATOM 501 O ASN A 111 4.815 -12.138 4.280 1.00 0.00 O ATOM 502 CB ASN A 111 4.791 -9.113 5.510 1.00 0.00 C ATOM 503 CG ASN A 111 3.938 -10.010 6.403 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.999 -11.233 6.295 1.00 0.00 O ATOM 505 ND2 ASN A 111 3.144 -9.471 7.289 1.00 0.00 N ATOM 0 H ASN A 111 6.286 -8.117 3.822 1.00 0.00 H new ATOM 0 HA ASN A 111 6.435 -10.488 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.357 -8.410 6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.149 -8.522 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.574 -10.065 7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.094 -8.456 7.378 1.00 0.00 H new ATOM 512 N LEU A 112 4.458 -10.566 2.713 1.00 0.00 N ATOM 513 CA LEU A 112 3.688 -11.460 1.854 1.00 0.00 C ATOM 514 C LEU A 112 4.607 -12.400 1.072 1.00 0.00 C ATOM 515 O LEU A 112 4.139 -13.266 0.334 1.00 0.00 O ATOM 516 CB LEU A 112 2.827 -10.636 0.880 1.00 0.00 C ATOM 517 CG LEU A 112 1.403 -10.420 1.441 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.597 -11.739 1.384 1.00 0.00 C ATOM 519 CD2 LEU A 112 1.471 -9.911 2.898 1.00 0.00 C ATOM 0 H LEU A 112 4.567 -9.618 2.352 1.00 0.00 H new ATOM 0 HA LEU A 112 3.040 -12.067 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.300 -9.671 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.769 -11.148 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 112 0.901 -9.671 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.404 -11.571 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.524 -12.077 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.102 -12.500 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.461 -9.764 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.989 -10.645 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.012 -8.965 2.928 1.00 0.00 H new ATOM 531 N GLY A 113 5.904 -12.226 1.243 1.00 0.00 N ATOM 532 CA GLY A 113 6.879 -13.069 0.555 1.00 0.00 C ATOM 533 C GLY A 113 7.175 -12.533 -0.840 1.00 0.00 C ATOM 534 O GLY A 113 7.720 -13.240 -1.687 1.00 0.00 O ATOM 0 H GLY A 113 6.311 -11.513 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.801 -13.113 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.498 -14.088 0.484 1.00 0.00 H new ATOM 538 N GLU A 114 6.821 -11.270 -1.066 1.00 0.00 N ATOM 539 CA GLU A 114 7.056 -10.618 -2.356 1.00 0.00 C ATOM 540 C GLU A 114 8.095 -9.518 -2.199 1.00 0.00 C ATOM 541 O GLU A 114 7.984 -8.672 -1.317 1.00 0.00 O ATOM 542 CB GLU A 114 5.753 -10.006 -2.883 1.00 0.00 C ATOM 543 CG GLU A 114 4.769 -11.114 -3.265 1.00 0.00 C ATOM 544 CD GLU A 114 5.296 -11.890 -4.468 1.00 0.00 C ATOM 545 OE1 GLU A 114 6.125 -11.348 -5.181 1.00 0.00 O ATOM 546 OE2 GLU A 114 4.857 -13.012 -4.664 1.00 0.00 O ATOM 0 H GLU A 114 6.369 -10.675 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 114 7.417 -11.365 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.311 -9.362 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.961 -9.379 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.624 -11.789 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.796 -10.682 -3.499 1.00 0.00 H new ATOM 553 N LYS A 115 9.118 -9.539 -3.046 1.00 0.00 N ATOM 554 CA LYS A 115 10.183 -8.535 -2.984 1.00 0.00 C ATOM 555 C LYS A 115 10.467 -7.974 -4.374 1.00 0.00 C ATOM 556 O LYS A 115 11.019 -8.662 -5.233 1.00 0.00 O ATOM 557 CB LYS A 115 11.462 -9.174 -2.400 1.00 0.00 C ATOM 558 CG LYS A 115 11.570 -8.880 -0.904 1.00 0.00 C ATOM 559 CD LYS A 115 12.756 -9.651 -0.303 1.00 0.00 C ATOM 560 CE LYS A 115 14.079 -8.983 -0.699 1.00 0.00 C ATOM 561 NZ LYS A 115 15.195 -9.590 0.078 1.00 0.00 N ATOM 0 H LYS A 115 9.236 -10.235 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 115 9.861 -7.716 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.446 -10.251 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.339 -8.785 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.702 -7.810 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.646 -9.166 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.666 -9.681 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.743 -10.683 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.256 -9.108 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.029 -7.911 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.092 -9.137 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.027 -9.449 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.247 -10.608 -0.127 1.00 0.00 H new ATOM 575 N LEU A 116 10.092 -6.714 -4.578 1.00 0.00 N ATOM 576 CA LEU A 116 10.309 -6.042 -5.857 1.00 0.00 C ATOM 577 C LEU A 116 11.220 -4.836 -5.656 1.00 0.00 C ATOM 578 O LEU A 116 11.435 -4.394 -4.528 1.00 0.00 O ATOM 579 CB LEU A 116 8.971 -5.583 -6.439 1.00 0.00 C ATOM 580 CG LEU A 116 8.013 -6.779 -6.543 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.658 -6.295 -7.070 1.00 0.00 C ATOM 582 CD2 LEU A 116 8.592 -7.836 -7.499 1.00 0.00 C ATOM 0 H LEU A 116 9.635 -6.136 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 116 10.780 -6.740 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.535 -4.810 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.124 -5.141 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 116 7.886 -7.226 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.974 -7.140 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.245 -5.554 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.790 -5.846 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.906 -8.680 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.726 -7.398 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.555 -8.180 -7.121 1.00 0.00 H new ATOM 594 N THR A 117 11.751 -4.301 -6.750 1.00 0.00 N ATOM 595 CA THR A 117 12.627 -3.141 -6.659 1.00 0.00 C ATOM 596 C THR A 117 11.800 -1.898 -6.349 1.00 0.00 C ATOM 597 O THR A 117 10.577 -1.912 -6.478 1.00 0.00 O ATOM 598 CB THR A 117 13.386 -2.945 -7.977 1.00 0.00 C ATOM 599 OG1 THR A 117 13.747 -1.578 -8.116 1.00 0.00 O ATOM 600 CG2 THR A 117 12.496 -3.359 -9.151 1.00 0.00 C ATOM 0 H THR A 117 11.593 -4.646 -7.697 1.00 0.00 H new ATOM 0 HA THR A 117 13.349 -3.304 -5.859 1.00 0.00 H new ATOM 0 HB THR A 117 14.285 -3.561 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.234 -1.452 -8.957 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.038 -3.218 -10.086 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.220 -4.408 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.595 -2.746 -9.159 1.00 0.00 H new ATOM 608 N ASP A 118 12.467 -0.829 -5.931 1.00 0.00 N ATOM 609 CA ASP A 118 11.761 0.405 -5.601 1.00 0.00 C ATOM 610 C ASP A 118 11.051 0.961 -6.828 1.00 0.00 C ATOM 611 O ASP A 118 9.948 1.497 -6.725 1.00 0.00 O ATOM 612 CB ASP A 118 12.735 1.448 -5.052 1.00 0.00 C ATOM 613 CG ASP A 118 11.964 2.682 -4.592 1.00 0.00 C ATOM 614 OD1 ASP A 118 10.748 2.603 -4.520 1.00 0.00 O ATOM 615 OD2 ASP A 118 12.600 3.687 -4.321 1.00 0.00 O ATOM 0 H ASP A 118 13.479 -0.789 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 118 11.018 0.176 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.300 1.029 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.457 1.724 -5.820 1.00 0.00 H new ATOM 620 N GLU A 119 11.685 0.836 -7.989 1.00 0.00 N ATOM 621 CA GLU A 119 11.093 1.337 -9.222 1.00 0.00 C ATOM 622 C GLU A 119 9.716 0.723 -9.446 1.00 0.00 C ATOM 623 O GLU A 119 8.788 1.408 -9.870 1.00 0.00 O ATOM 624 CB GLU A 119 12.002 1.014 -10.411 1.00 0.00 C ATOM 625 CG GLU A 119 13.278 1.853 -10.319 1.00 0.00 C ATOM 626 CD GLU A 119 14.236 1.470 -11.442 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.866 0.637 -12.252 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.327 2.016 -11.474 1.00 0.00 O ATOM 0 H GLU A 119 12.599 0.397 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 119 10.984 2.418 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.251 -0.047 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.483 1.223 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.032 2.913 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.757 1.697 -9.352 1.00 0.00 H new ATOM 635 N GLU A 120 9.579 -0.563 -9.138 1.00 0.00 N ATOM 636 CA GLU A 120 8.292 -1.233 -9.297 1.00 0.00 C ATOM 637 C GLU A 120 7.312 -0.754 -8.230 1.00 0.00 C ATOM 638 O GLU A 120 6.177 -0.387 -8.537 1.00 0.00 O ATOM 639 CB GLU A 120 8.470 -2.752 -9.197 1.00 0.00 C ATOM 640 CG GLU A 120 9.112 -3.283 -10.482 1.00 0.00 C ATOM 641 CD GLU A 120 8.123 -3.187 -11.639 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.029 -3.709 -11.500 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.472 -2.591 -12.645 1.00 0.00 O ATOM 0 H GLU A 120 10.330 -1.155 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 120 7.892 -0.987 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.094 -2.999 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.504 -3.231 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.010 -2.710 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.421 -4.319 -10.342 1.00 0.00 H new ATOM 650 N VAL A 121 7.757 -0.753 -6.976 1.00 0.00 N ATOM 651 CA VAL A 121 6.901 -0.309 -5.885 1.00 0.00 C ATOM 652 C VAL A 121 6.564 1.169 -6.053 1.00 0.00 C ATOM 653 O VAL A 121 5.409 1.571 -5.924 1.00 0.00 O ATOM 654 CB VAL A 121 7.595 -0.537 -4.539 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.748 0.065 -3.414 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.758 -2.041 -4.303 1.00 0.00 C ATOM 0 H VAL A 121 8.691 -1.050 -6.695 1.00 0.00 H new ATOM 0 HA VAL A 121 5.978 -0.889 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 121 8.574 -0.058 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.244 -0.099 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.628 1.135 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.768 -0.412 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.252 -2.208 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.777 -2.516 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.361 -2.471 -5.102 1.00 0.00 H new ATOM 666 N GLU A 122 7.583 1.971 -6.345 1.00 0.00 N ATOM 667 CA GLU A 122 7.379 3.402 -6.527 1.00 0.00 C ATOM 668 C GLU A 122 6.405 3.647 -7.674 1.00 0.00 C ATOM 669 O GLU A 122 5.577 4.557 -7.613 1.00 0.00 O ATOM 670 CB GLU A 122 8.714 4.095 -6.822 1.00 0.00 C ATOM 671 CG GLU A 122 8.527 5.616 -6.798 1.00 0.00 C ATOM 672 CD GLU A 122 8.294 6.093 -5.368 1.00 0.00 C ATOM 673 OE1 GLU A 122 8.405 5.279 -4.466 1.00 0.00 O ATOM 674 OE2 GLU A 122 8.013 7.267 -5.194 1.00 0.00 O ATOM 0 H GLU A 122 8.547 1.658 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 122 6.962 3.816 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.459 3.799 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.090 3.781 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.408 6.105 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.681 5.896 -7.425 1.00 0.00 H new ATOM 681 N GLN A 123 6.504 2.831 -8.719 1.00 0.00 N ATOM 682 CA GLN A 123 5.619 2.976 -9.869 1.00 0.00 C ATOM 683 C GLN A 123 4.170 2.760 -9.449 1.00 0.00 C ATOM 684 O GLN A 123 3.288 3.531 -9.826 1.00 0.00 O ATOM 685 CB GLN A 123 6.000 1.964 -10.957 1.00 0.00 C ATOM 686 CG GLN A 123 5.093 2.146 -12.179 1.00 0.00 C ATOM 687 CD GLN A 123 5.506 1.182 -13.285 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.615 0.648 -13.265 1.00 0.00 O ATOM 689 NE2 GLN A 123 4.673 0.925 -14.257 1.00 0.00 N ATOM 0 H GLN A 123 7.180 2.071 -8.793 1.00 0.00 H new ATOM 0 HA GLN A 123 5.726 3.985 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.043 2.100 -11.244 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.906 0.949 -10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.054 1.969 -11.900 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.156 3.173 -12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.754 1.368 -14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.941 0.281 -15.001 1.00 0.00 H new ATOM 698 N MET A 124 3.924 1.715 -8.664 1.00 0.00 N ATOM 699 CA MET A 124 2.583 1.428 -8.206 1.00 0.00 C ATOM 700 C MET A 124 2.088 2.542 -7.289 1.00 0.00 C ATOM 701 O MET A 124 0.922 2.935 -7.350 1.00 0.00 O ATOM 702 CB MET A 124 2.572 0.088 -7.470 1.00 0.00 C ATOM 703 CG MET A 124 2.652 -1.062 -8.483 1.00 0.00 C ATOM 704 SD MET A 124 2.456 -2.647 -7.626 1.00 0.00 S ATOM 705 CE MET A 124 4.044 -2.657 -6.757 1.00 0.00 C ATOM 0 H MET A 124 4.636 1.061 -8.338 1.00 0.00 H new ATOM 0 HA MET A 124 1.915 1.369 -9.065 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.413 0.035 -6.779 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.664 -0.003 -6.874 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.875 -0.948 -9.239 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.609 -1.035 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.306 -3.681 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.816 -2.243 -7.405 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.968 -2.054 -5.852 1.00 0.00 H new ATOM 715 N ILE A 125 2.976 3.049 -6.440 1.00 0.00 N ATOM 716 CA ILE A 125 2.605 4.118 -5.521 1.00 0.00 C ATOM 717 C ILE A 125 2.206 5.358 -6.319 1.00 0.00 C ATOM 718 O ILE A 125 1.185 5.988 -6.049 1.00 0.00 O ATOM 719 CB ILE A 125 3.803 4.453 -4.616 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.132 3.252 -3.697 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.481 5.693 -3.773 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.250 3.245 -2.444 1.00 0.00 C ATOM 0 H ILE A 125 3.946 2.741 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 125 1.764 3.796 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 125 4.673 4.661 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.991 2.322 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.181 3.293 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.331 5.928 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.278 6.538 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.605 5.495 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.508 2.388 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.411 4.164 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.202 3.178 -2.737 1.00 0.00 H new ATOM 734 N LYS A 126 3.019 5.679 -7.318 1.00 0.00 N ATOM 735 CA LYS A 126 2.750 6.824 -8.179 1.00 0.00 C ATOM 736 C LYS A 126 1.509 6.593 -9.025 1.00 0.00 C ATOM 737 O LYS A 126 0.685 7.490 -9.204 1.00 0.00 O ATOM 738 CB LYS A 126 3.950 7.101 -9.080 1.00 0.00 C ATOM 739 CG LYS A 126 5.063 7.747 -8.257 1.00 0.00 C ATOM 740 CD LYS A 126 6.277 8.017 -9.151 1.00 0.00 C ATOM 741 CE LYS A 126 7.343 8.775 -8.356 1.00 0.00 C ATOM 742 NZ LYS A 126 8.541 8.995 -9.216 1.00 0.00 N ATOM 0 H LYS A 126 3.868 5.164 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 126 2.573 7.690 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.305 6.173 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.660 7.759 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.709 8.679 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.345 7.093 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.685 7.076 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.977 8.599 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.946 9.731 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.620 8.209 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.266 9.510 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.923 8.077 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.271 9.552 -10.052 1.00 0.00 H new ATOM 756 N GLU A 127 1.386 5.385 -9.546 1.00 0.00 N ATOM 757 CA GLU A 127 0.247 5.036 -10.377 1.00 0.00 C ATOM 758 C GLU A 127 -1.023 4.953 -9.553 1.00 0.00 C ATOM 759 O GLU A 127 -2.099 5.344 -10.003 1.00 0.00 O ATOM 760 CB GLU A 127 0.494 3.692 -11.043 1.00 0.00 C ATOM 761 CG GLU A 127 -0.687 3.335 -11.958 1.00 0.00 C ATOM 762 CD GLU A 127 -1.829 2.724 -11.149 1.00 0.00 C ATOM 763 OE1 GLU A 127 -1.544 1.967 -10.236 1.00 0.00 O ATOM 764 OE2 GLU A 127 -2.972 3.022 -11.458 1.00 0.00 O ATOM 0 H GLU A 127 2.059 4.631 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 127 0.126 5.814 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.416 3.728 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.624 2.920 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.037 4.229 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.361 2.632 -12.724 1.00 0.00 H new ATOM 771 N ALA A 128 -0.889 4.416 -8.355 1.00 0.00 N ATOM 772 CA ALA A 128 -2.042 4.257 -7.473 1.00 0.00 C ATOM 773 C ALA A 128 -2.529 5.599 -6.955 1.00 0.00 C ATOM 774 O ALA A 128 -3.709 5.772 -6.663 1.00 0.00 O ATOM 775 CB ALA A 128 -1.689 3.359 -6.292 1.00 0.00 C ATOM 0 H ALA A 128 -0.005 4.084 -7.968 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.840 3.797 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.559 3.251 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.385 2.378 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.870 3.805 -5.728 1.00 0.00 H new ATOM 781 N ASP A 129 -1.610 6.544 -6.832 1.00 0.00 N ATOM 782 CA ASP A 129 -1.951 7.865 -6.322 1.00 0.00 C ATOM 783 C ASP A 129 -2.611 8.716 -7.380 1.00 0.00 C ATOM 784 O ASP A 129 -2.012 9.048 -8.402 1.00 0.00 O ATOM 785 CB ASP A 129 -0.699 8.570 -5.828 1.00 0.00 C ATOM 786 CG ASP A 129 -1.065 9.741 -4.927 1.00 0.00 C ATOM 787 OD1 ASP A 129 -2.044 9.625 -4.211 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.358 10.733 -4.959 1.00 0.00 O ATOM 0 H ASP A 129 -0.627 6.423 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.654 7.728 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.070 7.867 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.116 8.926 -6.678 1.00 0.00 H new ATOM 793 N LEU A 130 -3.855 9.066 -7.117 1.00 0.00 N ATOM 794 CA LEU A 130 -4.619 9.886 -8.042 1.00 0.00 C ATOM 795 C LEU A 130 -4.373 11.378 -7.807 1.00 0.00 C ATOM 796 O LEU A 130 -4.560 12.192 -8.710 1.00 0.00 O ATOM 797 CB LEU A 130 -6.120 9.587 -7.903 1.00 0.00 C ATOM 798 CG LEU A 130 -6.880 10.087 -9.152 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.855 9.016 -10.255 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.338 10.389 -8.784 1.00 0.00 C ATOM 0 H LEU A 130 -4.359 8.797 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.287 9.639 -9.050 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.275 8.515 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.514 10.072 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.394 10.992 -9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.394 9.381 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.822 8.800 -10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -7.331 8.106 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.871 10.741 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.814 9.482 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.367 11.158 -8.012 1.00 0.00 H new ATOM 812 N ASP A 131 -3.971 11.740 -6.584 1.00 0.00 N ATOM 813 CA ASP A 131 -3.726 13.150 -6.250 1.00 0.00 C ATOM 814 C ASP A 131 -2.233 13.464 -6.198 1.00 0.00 C ATOM 815 O ASP A 131 -1.840 14.539 -5.745 1.00 0.00 O ATOM 816 CB ASP A 131 -4.354 13.483 -4.895 1.00 0.00 C ATOM 817 CG ASP A 131 -3.825 12.544 -3.817 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.891 11.812 -4.099 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.363 12.570 -2.723 1.00 0.00 O ATOM 0 H ASP A 131 -3.810 11.087 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.180 13.757 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.130 14.516 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.439 13.398 -4.959 1.00 0.00 H new ATOM 824 N GLY A 132 -1.405 12.541 -6.668 1.00 0.00 N ATOM 825 CA GLY A 132 0.038 12.762 -6.669 1.00 0.00 C ATOM 826 C GLY A 132 0.509 13.365 -5.346 1.00 0.00 C ATOM 827 O GLY A 132 1.489 14.110 -5.312 1.00 0.00 O ATOM 0 H GLY A 132 -1.701 11.642 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.553 11.817 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.305 13.427 -7.490 1.00 0.00 H new ATOM 831 N ASP A 133 -0.188 13.043 -4.256 1.00 0.00 N ATOM 832 CA ASP A 133 0.185 13.567 -2.944 1.00 0.00 C ATOM 833 C ASP A 133 1.434 12.866 -2.417 1.00 0.00 C ATOM 834 O ASP A 133 2.100 13.359 -1.508 1.00 0.00 O ATOM 835 CB ASP A 133 -0.969 13.375 -1.958 1.00 0.00 C ATOM 836 CG ASP A 133 -1.160 11.891 -1.661 1.00 0.00 C ATOM 837 OD1 ASP A 133 -1.028 11.101 -2.581 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.444 11.567 -0.520 1.00 0.00 O ATOM 0 H ASP A 133 -1.003 12.430 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 133 0.400 14.630 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.763 13.916 -1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.886 13.792 -2.373 1.00 0.00 H new ATOM 843 N GLY A 134 1.744 11.712 -3.005 1.00 0.00 N ATOM 844 CA GLY A 134 2.914 10.933 -2.611 1.00 0.00 C ATOM 845 C GLY A 134 2.512 9.837 -1.642 1.00 0.00 C ATOM 846 O GLY A 134 3.324 8.992 -1.268 1.00 0.00 O ATOM 0 H GLY A 134 1.198 11.295 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.382 10.495 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.655 11.585 -2.147 1.00 0.00 H new ATOM 850 N GLN A 135 1.253 9.881 -1.211 1.00 0.00 N ATOM 851 CA GLN A 135 0.732 8.920 -0.254 1.00 0.00 C ATOM 852 C GLN A 135 -0.479 8.206 -0.830 1.00 0.00 C ATOM 853 O GLN A 135 -1.333 8.824 -1.464 1.00 0.00 O ATOM 854 CB GLN A 135 0.336 9.690 1.029 1.00 0.00 C ATOM 855 CG GLN A 135 1.335 9.412 2.147 1.00 0.00 C ATOM 856 CD GLN A 135 1.080 10.341 3.330 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.243 11.334 3.203 1.00 0.00 O flip ATOM 858 NE2 GLN A 135 1.660 10.156 4.400 1.00 0.00 N flip ATOM 0 H GLN A 135 0.574 10.579 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 135 1.489 8.169 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.301 10.760 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.664 9.393 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.252 8.373 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.351 9.552 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.314 9.379 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.487 10.779 5.189 1.00 0.00 H new ATOM 867 N VAL A 136 -0.562 6.905 -0.589 1.00 0.00 N ATOM 868 CA VAL A 136 -1.696 6.142 -1.076 1.00 0.00 C ATOM 869 C VAL A 136 -2.855 6.328 -0.106 1.00 0.00 C ATOM 870 O VAL A 136 -2.739 6.002 1.077 1.00 0.00 O ATOM 871 CB VAL A 136 -1.332 4.661 -1.173 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.544 3.850 -1.634 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.201 4.477 -2.182 1.00 0.00 C ATOM 0 H VAL A 136 0.130 6.366 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.978 6.493 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.015 4.313 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.273 2.796 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.357 3.972 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.867 4.203 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.058 3.420 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.524 4.835 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.672 5.044 -1.858 1.00 0.00 H new ATOM 883 N ASN A 137 -3.976 6.839 -0.608 1.00 0.00 N ATOM 884 CA ASN A 137 -5.159 7.047 0.231 1.00 0.00 C ATOM 885 C ASN A 137 -6.086 5.835 0.132 1.00 0.00 C ATOM 886 O ASN A 137 -5.935 5.001 -0.760 1.00 0.00 O ATOM 887 CB ASN A 137 -5.908 8.303 -0.221 1.00 0.00 C ATOM 888 CG ASN A 137 -6.895 8.741 0.859 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.595 8.643 2.049 1.00 0.00 O ATOM 890 ND2 ASN A 137 -8.058 9.222 0.514 1.00 0.00 N ATOM 0 H ASN A 137 -4.093 7.116 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.839 7.173 1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.199 9.106 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.439 8.104 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.721 9.518 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.304 9.302 -0.473 1.00 0.00 H new ATOM 897 N TYR A 138 -7.028 5.731 1.065 1.00 0.00 N ATOM 898 CA TYR A 138 -7.951 4.598 1.080 1.00 0.00 C ATOM 899 C TYR A 138 -8.507 4.324 -0.317 1.00 0.00 C ATOM 900 O TYR A 138 -8.466 3.192 -0.797 1.00 0.00 O ATOM 901 CB TYR A 138 -9.106 4.884 2.044 1.00 0.00 C ATOM 902 CG TYR A 138 -9.977 3.656 2.160 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.529 2.555 2.899 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.230 3.617 1.536 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.330 1.415 3.012 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.033 2.474 1.649 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.583 1.373 2.388 1.00 0.00 C ATOM 908 OH TYR A 138 -12.373 0.247 2.500 1.00 0.00 O ATOM 0 H TYR A 138 -7.173 6.409 1.813 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.403 3.716 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.717 5.161 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.694 5.728 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.564 2.586 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.577 4.467 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.982 0.566 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -12.999 2.442 1.166 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.140 0.441 3.079 1.00 0.00 H new ATOM 918 N GLU A 139 -9.031 5.360 -0.965 1.00 0.00 N ATOM 919 CA GLU A 139 -9.595 5.200 -2.304 1.00 0.00 C ATOM 920 C GLU A 139 -8.539 4.691 -3.277 1.00 0.00 C ATOM 921 O GLU A 139 -8.819 3.817 -4.098 1.00 0.00 O ATOM 922 CB GLU A 139 -10.162 6.534 -2.798 1.00 0.00 C ATOM 923 CG GLU A 139 -10.837 6.336 -4.158 1.00 0.00 C ATOM 924 CD GLU A 139 -11.469 7.644 -4.620 1.00 0.00 C ATOM 925 OE1 GLU A 139 -11.181 8.665 -4.015 1.00 0.00 O ATOM 926 OE2 GLU A 139 -12.233 7.609 -5.571 1.00 0.00 O ATOM 0 H GLU A 139 -9.078 6.308 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.399 4.466 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.881 6.924 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.363 7.271 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.105 5.997 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.599 5.560 -4.086 1.00 0.00 H new ATOM 933 N GLU A 140 -7.329 5.227 -3.188 1.00 0.00 N ATOM 934 CA GLU A 140 -6.267 4.792 -4.074 1.00 0.00 C ATOM 935 C GLU A 140 -5.903 3.342 -3.782 1.00 0.00 C ATOM 936 O GLU A 140 -5.711 2.546 -4.702 1.00 0.00 O ATOM 937 CB GLU A 140 -5.048 5.705 -3.919 1.00 0.00 C ATOM 938 CG GLU A 140 -5.394 7.109 -4.447 1.00 0.00 C ATOM 939 CD GLU A 140 -4.465 8.162 -3.855 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.616 7.802 -3.062 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.619 9.318 -4.213 1.00 0.00 O ATOM 0 H GLU A 140 -7.064 5.952 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.613 4.855 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.752 5.761 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.200 5.296 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.317 7.121 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.427 7.350 -4.198 1.00 0.00 H new ATOM 948 N PHE A 141 -5.828 2.995 -2.499 1.00 0.00 N ATOM 949 CA PHE A 141 -5.508 1.623 -2.119 1.00 0.00 C ATOM 950 C PHE A 141 -6.590 0.689 -2.649 1.00 0.00 C ATOM 951 O PHE A 141 -6.298 -0.319 -3.292 1.00 0.00 O ATOM 952 CB PHE A 141 -5.416 1.502 -0.595 1.00 0.00 C ATOM 953 CG PHE A 141 -4.945 0.114 -0.223 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.658 -0.304 -0.588 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.788 -0.752 0.486 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.217 -1.589 -0.247 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.345 -2.035 0.825 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.060 -2.454 0.458 1.00 0.00 C ATOM 0 H PHE A 141 -5.982 3.633 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.545 1.347 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.726 2.249 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.389 1.699 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.007 0.364 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.779 -0.429 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.226 -1.912 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.995 -2.703 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.720 -3.445 0.719 1.00 0.00 H new ATOM 968 N VAL A 142 -7.843 1.040 -2.375 1.00 0.00 N ATOM 969 CA VAL A 142 -8.966 0.233 -2.830 1.00 0.00 C ATOM 970 C VAL A 142 -8.936 0.138 -4.347 1.00 0.00 C ATOM 971 O VAL A 142 -9.083 -0.939 -4.918 1.00 0.00 O ATOM 972 CB VAL A 142 -10.288 0.870 -2.381 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.466 0.174 -3.068 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.431 0.729 -0.865 1.00 0.00 C ATOM 0 H VAL A 142 -8.103 1.871 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.889 -0.765 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.286 1.925 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.400 0.633 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.369 0.276 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.470 -0.883 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.370 1.181 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.426 -0.327 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.599 1.233 -0.373 1.00 0.00 H new ATOM 984 N LYS A 143 -8.731 1.277 -4.991 1.00 0.00 N ATOM 985 CA LYS A 143 -8.674 1.319 -6.441 1.00 0.00 C ATOM 986 C LYS A 143 -7.527 0.445 -6.939 1.00 0.00 C ATOM 987 O LYS A 143 -7.700 -0.387 -7.831 1.00 0.00 O ATOM 988 CB LYS A 143 -8.461 2.768 -6.877 1.00 0.00 C ATOM 989 CG LYS A 143 -8.579 2.877 -8.400 1.00 0.00 C ATOM 990 CD LYS A 143 -8.491 4.347 -8.816 1.00 0.00 C ATOM 991 CE LYS A 143 -8.654 4.462 -10.334 1.00 0.00 C ATOM 992 NZ LYS A 143 -7.478 3.848 -11.011 1.00 0.00 N ATOM 0 H LYS A 143 -8.602 2.180 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.605 0.941 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.199 3.413 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.479 3.113 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.784 2.305 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.525 2.450 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.266 4.925 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.532 4.765 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.570 3.963 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -8.746 5.509 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -7.439 4.170 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.607 4.132 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.566 2.812 -10.988 1.00 0.00 H new ATOM 1006 N MET A 144 -6.360 0.630 -6.334 1.00 0.00 N ATOM 1007 CA MET A 144 -5.183 -0.156 -6.697 1.00 0.00 C ATOM 1008 C MET A 144 -5.440 -1.620 -6.398 1.00 0.00 C ATOM 1009 O MET A 144 -5.079 -2.508 -7.170 1.00 0.00 O ATOM 1010 CB MET A 144 -3.978 0.291 -5.882 1.00 0.00 C ATOM 1011 CG MET A 144 -2.708 -0.328 -6.474 1.00 0.00 C ATOM 1012 SD MET A 144 -1.300 0.012 -5.389 1.00 0.00 S ATOM 1013 CE MET A 144 -1.820 -1.009 -3.984 1.00 0.00 C ATOM 0 H MET A 144 -6.202 1.313 -5.593 1.00 0.00 H new ATOM 0 HA MET A 144 -4.985 -0.011 -7.759 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.903 1.378 -5.889 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.094 -0.014 -4.842 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.837 -1.404 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.521 0.081 -7.467 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.975 -1.602 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.173 -0.366 -3.178 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.625 -1.674 -4.296 1.00 0.00 H new ATOM 1023 N MET A 145 -6.081 -1.846 -5.264 1.00 0.00 N ATOM 1024 CA MET A 145 -6.411 -3.201 -4.837 1.00 0.00 C ATOM 1025 C MET A 145 -7.346 -3.847 -5.849 1.00 0.00 C ATOM 1026 O MET A 145 -7.219 -5.029 -6.149 1.00 0.00 O ATOM 1027 CB MET A 145 -7.068 -3.191 -3.455 1.00 0.00 C ATOM 1028 CG MET A 145 -7.358 -4.632 -3.020 1.00 0.00 C ATOM 1029 SD MET A 145 -7.983 -4.639 -1.321 1.00 0.00 S ATOM 1030 CE MET A 145 -6.395 -4.895 -0.492 1.00 0.00 C ATOM 0 H MET A 145 -6.384 -1.113 -4.622 1.00 0.00 H new ATOM 0 HA MET A 145 -5.488 -3.778 -4.775 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.412 -2.706 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.993 -2.615 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.090 -5.084 -3.689 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.451 -5.232 -3.087 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.474 -4.585 0.550 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.127 -5.951 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.626 -4.304 -0.989 1.00 0.00 H new ATOM 1040 N MET A 146 -8.286 -3.065 -6.372 1.00 0.00 N ATOM 1041 CA MET A 146 -9.233 -3.578 -7.358 1.00 0.00 C ATOM 1042 C MET A 146 -8.500 -3.975 -8.635 1.00 0.00 C ATOM 1043 O MET A 146 -8.842 -4.969 -9.272 1.00 0.00 O ATOM 1044 CB MET A 146 -10.301 -2.522 -7.673 1.00 0.00 C ATOM 1045 CG MET A 146 -11.328 -2.458 -6.535 1.00 0.00 C ATOM 1046 SD MET A 146 -12.288 -3.993 -6.489 1.00 0.00 S ATOM 1047 CE MET A 146 -13.644 -3.448 -7.556 1.00 0.00 C ATOM 0 H MET A 146 -8.412 -2.082 -6.132 1.00 0.00 H new ATOM 0 HA MET A 146 -9.723 -4.459 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.832 -1.547 -7.806 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.800 -2.766 -8.611 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.820 -2.307 -5.582 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.993 -1.607 -6.680 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.367 -4.256 -7.667 1.00 0.00 H new ATOM 0 HE2 MET A 146 -14.133 -2.582 -7.110 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.250 -3.177 -8.536 1.00 0.00 H new ATOM 1057 N THR A 147 -7.494 -3.188 -9.007 1.00 0.00 N ATOM 1058 CA THR A 147 -6.717 -3.463 -10.216 1.00 0.00 C ATOM 1059 C THR A 147 -6.365 -4.944 -10.314 1.00 0.00 C ATOM 1060 O THR A 147 -5.949 -5.428 -11.367 1.00 0.00 O ATOM 1061 CB THR A 147 -5.417 -2.659 -10.176 1.00 0.00 C ATOM 1062 OG1 THR A 147 -5.705 -1.311 -9.835 1.00 0.00 O ATOM 1063 CG2 THR A 147 -4.736 -2.701 -11.547 1.00 0.00 C ATOM 0 H THR A 147 -7.197 -2.358 -8.493 1.00 0.00 H new ATOM 0 HA THR A 147 -7.320 -3.181 -11.080 1.00 0.00 H new ATOM 0 HB THR A 147 -4.751 -3.093 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.872 -0.795 -9.807 1.00 0.00 H new ATOM 0 HG21 THR A 147 -3.811 -2.126 -11.511 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.511 -3.735 -11.810 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.401 -2.272 -12.297 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.530 -5.658 -9.209 1.00 0.00 N ATOM 1072 CA VAL A 148 -6.221 -7.080 -9.171 1.00 0.00 C ATOM 1073 C VAL A 148 -7.369 -7.893 -9.771 1.00 0.00 C ATOM 1074 O VAL A 148 -7.244 -9.099 -9.980 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.969 -7.522 -7.721 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -4.987 -6.556 -7.034 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -7.303 -7.576 -6.939 1.00 0.00 C ATOM 0 H VAL A 148 -6.876 -5.276 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.322 -7.257 -9.762 1.00 0.00 H new ATOM 0 HB VAL A 148 -5.529 -8.519 -7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.816 -6.880 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.041 -6.553 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -5.407 -5.550 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -7.111 -7.890 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -7.763 -6.588 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -7.976 -8.288 -7.417 1.00 0.00 H new ATOM 1087 N ARG A 149 -8.487 -7.223 -10.041 1.00 0.00 N ATOM 1088 CA ARG A 149 -9.650 -7.894 -10.612 1.00 0.00 C ATOM 1089 C ARG A 149 -9.365 -8.322 -12.047 1.00 0.00 C ATOM 1090 O ARG A 149 -9.224 -7.449 -12.888 1.00 0.00 O ATOM 1091 CB ARG A 149 -10.864 -6.960 -10.585 1.00 0.00 C ATOM 1092 CG ARG A 149 -12.101 -7.716 -11.077 1.00 0.00 C ATOM 1093 CD ARG A 149 -13.340 -6.833 -10.921 1.00 0.00 C ATOM 1094 NE ARG A 149 -13.254 -5.675 -11.807 1.00 0.00 N ATOM 1095 CZ ARG A 149 -13.675 -5.736 -13.068 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -14.174 -6.848 -13.537 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -13.589 -4.686 -13.837 1.00 0.00 N ATOM 1098 OXT ARG A 149 -9.291 -9.516 -12.284 1.00 0.00 O ATOM 0 H ARG A 149 -8.611 -6.224 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 149 -9.865 -8.780 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -11.029 -6.590 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -10.681 -6.090 -11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -11.974 -8.000 -12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -12.226 -8.638 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -14.236 -7.409 -11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -13.431 -6.502 -9.887 1.00 0.00 H new ATOM 0 HE ARG A 149 -12.863 -4.802 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -14.241 -7.670 -12.937 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -14.497 -6.895 -14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -13.199 -3.817 -13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -13.912 -4.734 -14.803 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 0.881 5.104 7.547 1.00 0.00 CA HETATM 1114 CA CA A 234 -2.596 10.173 -2.460 1.00 0.00 CA