USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= 1.12 K(o=2.3,f=-7.9!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -178:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0219 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -114:sc= 0.726 (180deg=-0.0521) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.808 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0682 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -149:sc= 2.43 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.04 (180deg=0.958) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.174 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.073) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 0.217 K(o=0.22,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -112:sc= 0.303 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 THR OG1 : rot -38:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.191 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -110:sc= 0.0731 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.274 K(o=0.27,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.054 -7.412 -5.036 1.00 9.67 N ATOM 2 CA MET A 1 11.004 -7.325 -3.544 1.00 10.38 C ATOM 3 C MET A 1 9.660 -7.745 -3.082 1.00 9.62 C ATOM 4 O MET A 1 8.633 -7.370 -3.610 1.00 9.62 O ATOM 5 CB MET A 1 11.255 -5.832 -3.207 1.00 13.77 C ATOM 6 CG MET A 1 11.335 -5.612 -1.676 1.00 16.29 C ATOM 7 SD MET A 1 11.726 -3.908 -1.266 1.00 17.17 S ATOM 8 CE MET A 1 10.203 -2.990 -1.475 1.00 16.11 C ATOM 0 H1 MET A 1 12.022 -7.641 -5.338 1.00 9.67 H new ATOM 0 H2 MET A 1 10.404 -8.156 -5.362 1.00 9.67 H new ATOM 0 H3 MET A 1 10.770 -6.500 -5.447 1.00 9.67 H new ATOM 0 HA MET A 1 11.740 -7.967 -3.059 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.183 -5.502 -3.674 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.453 -5.222 -3.624 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.384 -5.887 -1.219 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.094 -6.271 -1.253 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.107 -2.258 -0.673 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.217 -2.476 -2.436 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.357 -3.677 -1.443 1.00 16.11 H new ATOM 20 N GLN A 2 9.604 -8.668 -2.111 1.00 9.27 N ATOM 21 CA GLN A 2 8.394 -9.030 -1.397 1.00 9.07 C ATOM 22 C GLN A 2 7.923 -8.030 -0.327 1.00 8.72 C ATOM 23 O GLN A 2 8.687 -7.493 0.466 1.00 8.22 O ATOM 24 CB GLN A 2 8.551 -10.485 -0.891 1.00 14.46 C ATOM 25 CG GLN A 2 7.214 -11.091 -0.301 1.00 17.01 C ATOM 26 CD GLN A 2 7.329 -12.571 -0.070 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.899 -13.035 0.923 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.833 -13.405 -1.025 1.00 19.49 N ATOM 0 H GLN A 2 10.424 -9.190 -1.801 1.00 9.27 H new ATOM 0 HA GLN A 2 7.561 -8.977 -2.098 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.894 -11.113 -1.713 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.324 -10.514 -0.123 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.973 -10.594 0.638 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.391 -10.893 -0.987 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.363 -13.020 -1.844 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.932 -14.415 -0.921 1.00 19.49 H new ATOM 37 N ILE A 3 6.671 -7.673 -0.291 1.00 5.87 N ATOM 38 CA ILE A 3 6.124 -6.856 0.813 1.00 5.07 C ATOM 39 C ILE A 3 4.863 -7.538 1.303 1.00 4.01 C ATOM 40 O ILE A 3 4.222 -8.383 0.632 1.00 4.61 O ATOM 41 CB ILE A 3 5.845 -5.420 0.400 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.972 -5.402 -0.821 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.199 -4.716 0.035 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.405 -4.016 -1.109 1.00 10.83 C ATOM 0 H ILE A 3 5.988 -7.924 -1.006 1.00 5.87 H new ATOM 0 HA ILE A 3 6.865 -6.789 1.610 1.00 5.07 H new ATOM 0 HB ILE A 3 5.350 -4.905 1.224 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.548 -5.742 -1.682 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.151 -6.107 -0.688 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.005 -3.685 -0.262 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.859 -4.725 0.902 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.675 -5.248 -0.789 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.781 -4.057 -2.002 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.805 -3.685 -0.261 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.223 -3.314 -1.270 1.00 10.83 H new ATOM 56 N PHE A 4 4.516 -7.215 2.583 1.00 4.55 N ATOM 57 CA PHE A 4 3.321 -7.676 3.300 1.00 4.68 C ATOM 58 C PHE A 4 2.350 -6.508 3.624 1.00 5.30 C ATOM 59 O PHE A 4 2.583 -5.440 4.221 1.00 5.58 O ATOM 60 CB PHE A 4 3.698 -8.421 4.556 1.00 4.83 C ATOM 61 CG PHE A 4 4.414 -9.733 4.233 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.687 -10.740 3.541 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.758 -9.982 4.501 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.238 -11.925 3.247 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.352 -11.248 4.279 1.00 10.61 C ATOM 66 CZ PHE A 4 5.571 -12.207 3.628 1.00 8.90 C ATOM 0 H PHE A 4 5.095 -6.600 3.154 1.00 4.55 H new ATOM 0 HA PHE A 4 2.795 -8.362 2.637 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.343 -7.795 5.172 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.802 -8.628 5.141 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.667 -10.545 3.245 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.368 -9.181 4.892 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.662 -12.669 2.717 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.361 -11.463 4.598 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.992 -13.178 3.413 1.00 8.90 H new ATOM 76 N VAL A 5 1.122 -6.745 3.193 1.00 4.44 N ATOM 77 CA VAL A 5 0.079 -5.724 3.252 1.00 3.87 C ATOM 78 C VAL A 5 -1.037 -6.241 4.068 1.00 4.93 C ATOM 79 O VAL A 5 -1.819 -7.088 3.624 1.00 6.84 O ATOM 80 CB VAL A 5 -0.186 -5.174 1.845 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.297 -4.166 1.923 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.981 -4.488 1.222 1.00 9.13 C ATOM 0 H VAL A 5 0.819 -7.635 2.797 1.00 4.44 H new ATOM 0 HA VAL A 5 0.362 -4.816 3.784 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.428 -6.039 1.228 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.496 -3.766 0.929 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.197 -4.645 2.308 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.005 -3.354 2.589 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.706 -4.131 0.230 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.280 -3.643 1.842 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.812 -5.188 1.138 1.00 9.13 H new ATOM 92 N LYS A 6 -1.123 -5.723 5.316 1.00 6.04 N ATOM 93 CA LYS A 6 -2.083 -6.336 6.320 1.00 6.12 C ATOM 94 C LYS A 6 -3.316 -5.488 6.540 1.00 6.57 C ATOM 95 O LYS A 6 -3.330 -4.284 6.784 1.00 5.76 O ATOM 96 CB LYS A 6 -1.390 -6.570 7.751 1.00 7.45 C ATOM 97 CG LYS A 6 -0.382 -7.665 7.739 1.00 11.12 C ATOM 98 CD LYS A 6 -0.004 -8.137 9.108 1.00 14.54 C ATOM 99 CE LYS A 6 1.119 -9.121 9.194 1.00 18.84 C ATOM 100 NZ LYS A 6 0.769 -10.333 8.468 1.00 20.55 N ATOM 0 H LYS A 6 -0.582 -4.929 5.658 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.373 -7.292 5.883 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.910 -5.645 8.071 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.160 -6.801 8.487 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.776 -8.506 7.168 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.513 -7.320 7.221 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.261 -7.266 9.707 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.885 -8.585 9.569 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.028 -8.687 8.778 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.328 -9.358 10.237 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.680 -11.125 9.137 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.136 -10.193 7.975 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.512 -10.548 7.773 1.00 20.55 H new ATOM 114 N THR A 7 -4.439 -6.158 6.289 1.00 7.41 N ATOM 115 CA THR A 7 -5.853 -5.680 6.446 1.00 7.48 C ATOM 116 C THR A 7 -6.294 -5.815 7.858 1.00 8.75 C ATOM 117 O THR A 7 -5.790 -6.612 8.635 1.00 8.58 O ATOM 118 CB THR A 7 -6.880 -6.302 5.422 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.481 -7.472 5.934 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.273 -6.532 4.076 1.00 9.17 C ATOM 0 H THR A 7 -4.407 -7.118 5.946 1.00 7.41 H new ATOM 0 HA THR A 7 -5.846 -4.621 6.186 1.00 7.48 H new ATOM 0 HB THR A 7 -7.671 -5.565 5.283 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.112 -7.831 5.276 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.020 -6.961 3.408 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.923 -5.584 3.668 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.432 -7.219 4.169 1.00 9.17 H new ATOM 128 N LEU A 8 -7.317 -5.085 8.257 1.00 9.84 N ATOM 129 CA LEU A 8 -7.912 -5.115 9.533 1.00 14.15 C ATOM 130 C LEU A 8 -8.787 -6.334 9.796 1.00 17.37 C ATOM 131 O LEU A 8 -9.159 -6.591 10.906 1.00 17.01 O ATOM 132 CB LEU A 8 -8.759 -3.763 9.843 1.00 16.63 C ATOM 133 CG LEU A 8 -7.986 -2.401 9.674 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.924 -1.121 9.914 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.820 -2.264 10.704 1.00 18.59 C ATOM 0 H LEU A 8 -7.770 -4.415 7.636 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.065 -5.182 10.216 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.629 -3.746 9.187 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.132 -3.820 10.866 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.618 -2.424 8.648 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.338 -0.211 9.784 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.743 -1.130 9.195 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.329 -1.151 10.926 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.312 -1.311 10.554 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.222 -2.306 11.716 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.111 -3.079 10.561 1.00 18.59 H new ATOM 147 N THR A 9 -9.071 -7.138 8.762 1.00 18.33 N ATOM 148 CA THR A 9 -9.875 -8.356 8.831 1.00 19.24 C ATOM 149 C THR A 9 -9.009 -9.532 8.733 1.00 19.48 C ATOM 150 O THR A 9 -9.536 -10.604 8.432 1.00 23.14 O ATOM 151 CB THR A 9 -11.086 -8.444 7.892 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.792 -8.265 6.504 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.062 -7.270 8.207 1.00 19.70 C ATOM 0 H THR A 9 -8.731 -6.946 7.820 1.00 18.33 H new ATOM 0 HA THR A 9 -10.351 -8.319 9.811 1.00 19.24 H new ATOM 0 HB THR A 9 -11.481 -9.446 8.060 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.618 -8.338 5.982 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.925 -7.326 7.543 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.395 -7.342 9.242 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.549 -6.320 8.056 1.00 19.70 H new ATOM 161 N GLY A 10 -7.719 -9.406 9.096 1.00 19.43 N ATOM 162 CA GLY A 10 -6.948 -10.590 9.379 1.00 18.74 C ATOM 163 C GLY A 10 -6.394 -11.246 8.137 1.00 17.62 C ATOM 164 O GLY A 10 -5.879 -12.383 8.241 1.00 19.74 O ATOM 0 H GLY A 10 -7.219 -8.522 9.193 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.124 -10.330 10.044 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.574 -11.305 9.912 1.00 18.74 H new ATOM 168 N LYS A 11 -6.620 -10.627 6.959 1.00 13.56 N ATOM 169 CA LYS A 11 -6.017 -11.040 5.740 1.00 11.91 C ATOM 170 C LYS A 11 -4.708 -10.336 5.581 1.00 10.18 C ATOM 171 O LYS A 11 -4.558 -9.169 5.966 1.00 9.10 O ATOM 172 CB LYS A 11 -6.931 -10.724 4.585 1.00 13.43 C ATOM 173 CG LYS A 11 -6.336 -11.293 3.233 1.00 16.69 C ATOM 174 CD LYS A 11 -7.497 -11.439 2.181 1.00 17.92 C ATOM 175 CE LYS A 11 -6.867 -12.142 0.955 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.842 -12.376 -0.106 1.00 21.93 N ATOM 0 H LYS A 11 -7.238 -9.821 6.860 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.845 -12.116 5.757 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.916 -11.155 4.765 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.065 -9.645 4.504 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.564 -10.625 2.851 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.863 -12.259 3.408 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.322 -12.025 2.587 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.902 -10.465 1.908 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.051 -11.532 0.568 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.435 -13.093 1.266 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.370 -12.818 -0.920 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.591 -13.007 0.244 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.261 -11.470 -0.398 1.00 21.93 H new ATOM 190 N THR A 12 -3.687 -11.037 4.995 1.00 9.63 N ATOM 191 CA THR A 12 -2.386 -10.405 4.618 1.00 9.85 C ATOM 192 C THR A 12 -2.264 -10.569 3.128 1.00 11.66 C ATOM 193 O THR A 12 -2.477 -11.662 2.634 1.00 12.33 O ATOM 194 CB THR A 12 -1.073 -10.875 5.233 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.168 -10.916 6.665 1.00 10.91 O ATOM 196 CG2 THR A 12 0.129 -9.958 4.833 1.00 9.63 C ATOM 0 H THR A 12 -3.742 -12.032 4.776 1.00 9.63 H new ATOM 0 HA THR A 12 -2.473 -9.396 5.020 1.00 9.85 H new ATOM 0 HB THR A 12 -0.889 -11.876 4.842 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.853 -11.786 6.989 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.042 -10.333 5.295 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.243 -9.960 3.749 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.060 -8.941 5.176 1.00 9.63 H new ATOM 204 N ILE A 13 -1.930 -9.522 2.374 1.00 10.42 N ATOM 205 CA ILE A 13 -1.732 -9.610 0.946 1.00 11.84 C ATOM 206 C ILE A 13 -0.266 -9.550 0.753 1.00 10.55 C ATOM 207 O ILE A 13 0.374 -8.653 1.285 1.00 11.92 O ATOM 208 CB ILE A 13 -2.414 -8.397 0.287 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.855 -8.092 0.838 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.637 -8.724 -1.216 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.295 -6.642 0.458 1.00 16.46 C ATOM 0 H ILE A 13 -1.790 -8.584 2.751 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.150 -10.516 0.508 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.762 -7.547 0.486 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.565 -8.812 0.431 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.868 -8.209 1.922 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.120 -7.878 -1.705 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.676 -8.918 -1.693 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.272 -9.606 -1.306 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.295 -6.451 0.848 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.595 -5.925 0.887 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.303 -6.537 -0.627 1.00 16.46 H new ATOM 223 N THR A 14 0.280 -10.507 -0.053 1.00 9.39 N ATOM 224 CA THR A 14 1.655 -10.612 -0.432 1.00 9.63 C ATOM 225 C THR A 14 1.808 -10.181 -1.863 1.00 11.20 C ATOM 226 O THR A 14 1.202 -10.744 -2.747 1.00 11.63 O ATOM 227 CB THR A 14 2.180 -12.096 -0.353 1.00 10.38 C ATOM 228 OG1 THR A 14 1.852 -12.533 0.945 1.00 16.30 O ATOM 229 CG2 THR A 14 3.659 -12.213 -0.565 1.00 11.66 C ATOM 0 H THR A 14 -0.289 -11.250 -0.459 1.00 9.39 H new ATOM 0 HA THR A 14 2.223 -9.985 0.255 1.00 9.63 H new ATOM 0 HB THR A 14 1.725 -12.694 -1.142 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.370 -12.023 1.602 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.954 -13.260 -0.498 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.917 -11.826 -1.551 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.183 -11.639 0.199 1.00 11.66 H new ATOM 237 N LEU A 15 2.578 -9.111 -2.091 1.00 8.29 N ATOM 238 CA LEU A 15 2.676 -8.426 -3.372 1.00 9.03 C ATOM 239 C LEU A 15 4.125 -8.350 -3.703 1.00 8.59 C ATOM 240 O LEU A 15 4.971 -8.305 -2.826 1.00 7.79 O ATOM 241 CB LEU A 15 2.204 -6.945 -3.285 1.00 11.08 C ATOM 242 CG LEU A 15 0.809 -6.698 -2.961 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.136 -7.380 -3.951 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.413 -6.919 -1.513 1.00 15.27 C ATOM 0 H LEU A 15 3.162 -8.692 -1.368 1.00 8.29 H new ATOM 0 HA LEU A 15 2.064 -8.965 -4.095 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.816 -6.441 -2.537 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.415 -6.469 -4.243 1.00 11.08 H new ATOM 0 HG LEU A 15 0.695 -5.621 -3.080 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.169 -7.170 -3.672 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.053 -7.000 -4.955 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.033 -8.457 -3.932 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.649 -6.705 -1.389 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.609 -7.955 -1.236 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.994 -6.256 -0.872 1.00 15.27 H new ATOM 256 N GLU A 16 4.424 -8.257 -5.049 1.00 11.04 N ATOM 257 CA GLU A 16 5.749 -8.331 -5.493 1.00 11.50 C ATOM 258 C GLU A 16 6.038 -6.978 -6.188 1.00 10.13 C ATOM 259 O GLU A 16 5.405 -6.598 -7.146 1.00 9.83 O ATOM 260 CB GLU A 16 5.861 -9.536 -6.471 1.00 17.22 C ATOM 261 CG GLU A 16 7.134 -9.539 -7.198 1.00 23.33 C ATOM 262 CD GLU A 16 8.323 -9.549 -6.269 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.324 -10.243 -5.241 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.328 -8.847 -6.598 1.00 28.86 O ATOM 0 H GLU A 16 3.731 -8.133 -5.787 1.00 11.04 H new ATOM 0 HA GLU A 16 6.473 -8.491 -4.694 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.761 -10.466 -5.912 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.037 -9.502 -7.184 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.176 -10.413 -7.849 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.185 -8.660 -7.841 1.00 23.33 H new ATOM 271 N VAL A 17 7.110 -6.267 -5.712 1.00 8.99 N ATOM 272 CA VAL A 17 7.295 -4.813 -6.035 1.00 8.85 C ATOM 273 C VAL A 17 8.767 -4.598 -6.339 1.00 8.04 C ATOM 274 O VAL A 17 9.598 -5.404 -6.006 1.00 8.99 O ATOM 275 CB VAL A 17 6.921 -3.870 -5.017 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.361 -3.922 -4.761 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.703 -4.112 -3.684 1.00 10.54 C ATOM 0 H VAL A 17 7.840 -6.664 -5.120 1.00 8.99 H new ATOM 0 HA VAL A 17 6.620 -4.616 -6.868 1.00 8.85 H new ATOM 0 HB VAL A 17 7.187 -2.876 -5.377 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.095 -3.202 -3.987 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.833 -3.677 -5.682 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.079 -4.924 -4.437 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.391 -3.378 -2.941 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.491 -5.115 -3.315 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.773 -4.011 -3.866 1.00 10.54 H new ATOM 287 N GLU A 18 9.231 -3.463 -6.873 1.00 7.29 N ATOM 288 CA GLU A 18 10.592 -3.012 -6.768 1.00 7.08 C ATOM 289 C GLU A 18 10.620 -1.786 -5.843 1.00 6.45 C ATOM 290 O GLU A 18 9.564 -1.178 -5.616 1.00 5.28 O ATOM 291 CB GLU A 18 11.078 -2.576 -8.145 1.00 10.28 C ATOM 292 CG GLU A 18 11.109 -3.698 -9.148 1.00 12.65 C ATOM 293 CD GLU A 18 11.978 -4.926 -8.740 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.219 -4.735 -8.370 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.465 -6.064 -8.776 1.00 18.17 O ATOM 0 H GLU A 18 8.638 -2.825 -7.404 1.00 7.29 H new ATOM 0 HA GLU A 18 11.224 -3.811 -6.380 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.430 -1.783 -8.517 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.078 -2.153 -8.053 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.088 -4.037 -9.322 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.481 -3.308 -10.095 1.00 12.65 H new ATOM 302 N PRO A 19 11.695 -1.344 -5.299 1.00 7.24 N ATOM 303 CA PRO A 19 11.657 -0.147 -4.421 1.00 7.07 C ATOM 304 C PRO A 19 11.338 1.132 -5.119 1.00 6.65 C ATOM 305 O PRO A 19 10.884 2.103 -4.534 1.00 6.37 O ATOM 306 CB PRO A 19 13.126 -0.051 -3.906 1.00 7.61 C ATOM 307 CG PRO A 19 13.602 -1.453 -3.980 1.00 8.16 C ATOM 308 CD PRO A 19 13.016 -1.940 -5.307 1.00 7.49 C ATOM 0 HA PRO A 19 10.878 -0.264 -3.668 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.728 0.612 -4.527 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.172 0.337 -2.888 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.690 -1.512 -3.973 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.245 -2.046 -3.138 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.607 -1.606 -6.160 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.971 -3.028 -5.357 1.00 7.49 H new ATOM 316 N SER A 20 11.601 1.094 -6.424 1.00 6.80 N ATOM 317 CA SER A 20 11.390 2.255 -7.342 1.00 6.28 C ATOM 318 C SER A 20 9.871 2.466 -7.681 1.00 8.45 C ATOM 319 O SER A 20 9.637 3.596 -8.084 1.00 7.26 O ATOM 320 CB SER A 20 12.168 2.020 -8.700 1.00 8.57 C ATOM 321 OG SER A 20 11.904 0.714 -9.290 1.00 11.13 O ATOM 0 H SER A 20 11.967 0.265 -6.893 1.00 6.80 H new ATOM 0 HA SER A 20 11.764 3.140 -6.827 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.888 2.797 -9.411 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.238 2.122 -8.521 1.00 8.57 H new ATOM 0 HG SER A 20 12.408 0.625 -10.126 1.00 11.13 H new ATOM 327 N ASP A 21 8.906 1.495 -7.460 1.00 7.50 N ATOM 328 CA ASP A 21 7.434 1.611 -7.611 1.00 7.70 C ATOM 329 C ASP A 21 6.827 2.567 -6.655 1.00 7.08 C ATOM 330 O ASP A 21 7.281 2.604 -5.525 1.00 8.11 O ATOM 331 CB ASP A 21 6.710 0.220 -7.518 1.00 11.00 C ATOM 332 CG ASP A 21 7.266 -0.685 -8.578 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.430 -0.110 -9.721 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.493 -1.898 -8.394 1.00 18.03 O ATOM 0 H ASP A 21 9.173 0.560 -7.153 1.00 7.50 H new ATOM 0 HA ASP A 21 7.283 2.008 -8.615 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.859 -0.218 -6.531 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.635 0.344 -7.653 1.00 11.00 H new ATOM 339 N THR A 22 5.852 3.339 -7.094 1.00 5.37 N ATOM 340 CA THR A 22 5.124 4.234 -6.289 1.00 6.01 C ATOM 341 C THR A 22 4.102 3.609 -5.404 1.00 8.01 C ATOM 342 O THR A 22 3.777 2.438 -5.599 1.00 8.11 O ATOM 343 CB THR A 22 4.530 5.365 -7.065 1.00 8.92 C ATOM 344 OG1 THR A 22 3.630 4.977 -8.101 1.00 10.22 O ATOM 345 CG2 THR A 22 5.590 6.261 -7.692 1.00 9.65 C ATOM 0 H THR A 22 5.551 3.342 -8.069 1.00 5.37 H new ATOM 0 HA THR A 22 5.885 4.636 -5.620 1.00 6.01 H new ATOM 0 HB THR A 22 3.963 5.905 -6.306 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.289 5.776 -8.554 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.105 7.066 -8.244 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.218 6.685 -6.908 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.206 5.674 -8.373 1.00 9.65 H new ATOM 353 N ILE A 23 3.592 4.372 -4.481 1.00 8.32 N ATOM 354 CA ILE A 23 2.498 3.905 -3.627 1.00 9.92 C ATOM 355 C ILE A 23 1.218 3.616 -4.413 1.00 10.01 C ATOM 356 O ILE A 23 0.590 2.603 -4.144 1.00 8.71 O ATOM 357 CB ILE A 23 2.203 4.704 -2.418 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.513 4.712 -1.568 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.064 4.142 -1.496 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.168 3.422 -1.002 1.00 12.30 C ATOM 0 H ILE A 23 3.905 5.323 -4.288 1.00 8.32 H new ATOM 0 HA ILE A 23 2.901 2.970 -3.237 1.00 9.92 H new ATOM 0 HB ILE A 23 1.861 5.680 -2.762 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.273 5.202 -2.177 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.322 5.361 -0.714 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.929 4.803 -0.640 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.133 4.086 -2.061 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.337 3.146 -1.146 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.068 3.685 -0.446 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.465 2.918 -0.338 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.431 2.756 -1.824 1.00 12.30 H new ATOM 372 N GLU A 24 0.879 4.429 -5.443 1.00 9.54 N ATOM 373 CA GLU A 24 -0.042 4.190 -6.487 1.00 11.81 C ATOM 374 C GLU A 24 0.096 2.858 -7.221 1.00 11.14 C ATOM 375 O GLU A 24 -0.882 2.147 -7.356 1.00 10.62 O ATOM 376 CB GLU A 24 -0.059 5.377 -7.508 1.00 19.24 C ATOM 377 CG GLU A 24 -1.262 5.398 -8.519 1.00 27.76 C ATOM 378 CD GLU A 24 -1.334 6.696 -9.313 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.577 7.752 -8.679 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.232 6.721 -10.577 1.00 36.51 O ATOM 0 H GLU A 24 1.308 5.349 -5.536 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.000 4.118 -5.972 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.064 6.312 -6.948 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.869 5.353 -8.079 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.168 4.559 -9.208 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.194 5.258 -7.972 1.00 27.76 H new ATOM 387 N ASN A 25 1.334 2.498 -7.676 1.00 9.43 N ATOM 388 CA ASN A 25 1.620 1.267 -8.335 1.00 10.96 C ATOM 389 C ASN A 25 1.421 0.069 -7.431 1.00 9.68 C ATOM 390 O ASN A 25 0.938 -0.924 -7.856 1.00 9.33 O ATOM 391 CB ASN A 25 3.048 1.293 -8.915 1.00 16.78 C ATOM 392 CG ASN A 25 3.247 0.160 -9.927 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.706 -0.927 -9.537 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.879 0.336 -11.203 1.00 24.70 N ATOM 0 H ASN A 25 2.153 3.097 -7.573 1.00 9.43 H new ATOM 0 HA ASN A 25 0.908 1.160 -9.153 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.232 2.253 -9.397 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.775 1.197 -8.108 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.974 -0.429 -11.871 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.504 1.235 -11.506 1.00 24.70 H new ATOM 401 N VAL A 26 1.828 0.173 -6.186 1.00 6.52 N ATOM 402 CA VAL A 26 1.349 -0.771 -5.135 1.00 5.53 C ATOM 403 C VAL A 26 -0.102 -0.964 -4.940 1.00 4.42 C ATOM 404 O VAL A 26 -0.603 -2.113 -4.877 1.00 3.40 O ATOM 405 CB VAL A 26 1.981 -0.483 -3.743 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.690 -1.622 -2.690 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.547 -0.366 -3.876 1.00 8.12 C ATOM 0 H VAL A 26 2.481 0.883 -5.854 1.00 6.52 H new ATOM 0 HA VAL A 26 1.696 -1.706 -5.574 1.00 5.53 H new ATOM 0 HB VAL A 26 1.531 0.447 -3.395 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.156 -1.366 -1.739 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.614 -1.723 -2.551 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.099 -2.565 -3.052 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.981 -0.164 -2.897 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.950 -1.301 -4.266 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.794 0.448 -4.557 1.00 8.12 H new ATOM 417 N LYS A 27 -0.940 0.144 -4.821 1.00 2.64 N ATOM 418 CA LYS A 27 -2.407 0.102 -4.803 1.00 4.14 C ATOM 419 C LYS A 27 -2.979 -0.511 -6.049 1.00 5.58 C ATOM 420 O LYS A 27 -3.920 -1.307 -6.009 1.00 4.11 O ATOM 421 CB LYS A 27 -3.124 1.502 -4.602 1.00 3.97 C ATOM 422 CG LYS A 27 -2.797 2.078 -3.218 1.00 7.45 C ATOM 423 CD LYS A 27 -3.463 3.363 -2.760 1.00 9.02 C ATOM 424 CE LYS A 27 -3.138 4.566 -3.687 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.955 5.724 -3.473 1.00 15.47 N ATOM 0 H LYS A 27 -0.574 1.092 -4.735 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.611 -0.514 -3.927 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.802 2.197 -5.377 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.202 1.384 -4.708 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.032 1.309 -2.482 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.720 2.238 -3.178 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.543 3.216 -2.726 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.140 3.594 -1.745 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.093 4.844 -3.546 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.246 4.248 -4.724 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.790 6.411 -4.236 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.957 5.446 -3.468 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.712 6.156 -2.559 1.00 15.47 H new ATOM 439 N ALA A 28 -2.362 -0.248 -7.212 1.00 6.61 N ATOM 440 CA ALA A 28 -2.614 -0.969 -8.448 1.00 7.74 C ATOM 441 C ALA A 28 -2.458 -2.487 -8.410 1.00 9.17 C ATOM 442 O ALA A 28 -3.176 -3.233 -9.052 1.00 11.45 O ATOM 443 CB ALA A 28 -1.655 -0.407 -9.606 1.00 7.68 C ATOM 0 H ALA A 28 -1.662 0.488 -7.310 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.673 -0.789 -8.635 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.846 -0.950 -10.532 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.853 0.654 -9.760 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.614 -0.543 -9.314 1.00 7.68 H new ATOM 449 N LYS A 29 -1.412 -2.965 -7.743 1.00 8.96 N ATOM 450 CA LYS A 29 -1.114 -4.394 -7.577 1.00 7.90 C ATOM 451 C LYS A 29 -2.104 -5.074 -6.657 1.00 6.92 C ATOM 452 O LYS A 29 -2.459 -6.191 -6.922 1.00 6.87 O ATOM 453 CB LYS A 29 0.346 -4.572 -7.019 1.00 10.28 C ATOM 454 CG LYS A 29 1.423 -4.275 -8.053 1.00 14.94 C ATOM 455 CD LYS A 29 2.838 -4.154 -7.497 1.00 19.69 C ATOM 456 CE LYS A 29 4.021 -4.336 -8.471 1.00 22.63 C ATOM 457 NZ LYS A 29 3.913 -3.619 -9.737 1.00 24.98 N ATOM 0 H LYS A 29 -0.728 -2.359 -7.290 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.196 -4.866 -8.556 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.483 -3.913 -6.161 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.469 -5.594 -6.659 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.411 -5.064 -8.804 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.169 -3.346 -8.563 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.933 -3.170 -7.038 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.947 -4.889 -6.700 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.934 -4.015 -7.969 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.132 -5.399 -8.685 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.740 -3.835 -10.330 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.046 -3.914 -10.230 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.876 -2.596 -9.554 1.00 24.98 H new ATOM 471 N ILE A 30 -2.568 -4.361 -5.631 1.00 4.57 N ATOM 472 CA ILE A 30 -3.659 -4.827 -4.765 1.00 5.58 C ATOM 473 C ILE A 30 -5.005 -4.791 -5.469 1.00 7.26 C ATOM 474 O ILE A 30 -5.831 -5.719 -5.376 1.00 9.46 O ATOM 475 CB ILE A 30 -3.675 -4.067 -3.455 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.388 -4.302 -2.670 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.838 -4.479 -2.531 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.163 -3.197 -1.641 1.00 2.00 C ATOM 0 H ILE A 30 -2.201 -3.445 -5.374 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.468 -5.874 -4.531 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.788 -3.020 -3.737 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.436 -5.268 -2.167 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.542 -4.342 -3.356 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.794 -3.899 -1.609 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.787 -4.290 -3.034 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.757 -5.540 -2.296 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.239 -3.390 -1.096 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.091 -2.236 -2.149 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.999 -3.175 -0.942 1.00 2.00 H new ATOM 490 N GLN A 31 -5.261 -3.777 -6.346 1.00 7.06 N ATOM 491 CA GLN A 31 -6.450 -3.742 -7.218 1.00 8.67 C ATOM 492 C GLN A 31 -6.545 -4.953 -8.049 1.00 10.90 C ATOM 493 O GLN A 31 -7.569 -5.616 -8.199 1.00 9.63 O ATOM 494 CB GLN A 31 -6.395 -2.499 -8.128 1.00 9.12 C ATOM 495 CG GLN A 31 -7.542 -2.414 -9.243 1.00 10.76 C ATOM 496 CD GLN A 31 -7.182 -1.390 -10.342 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.014 -1.039 -10.478 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.175 -0.811 -10.980 1.00 14.76 N ATOM 0 H GLN A 31 -4.647 -2.971 -6.460 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.332 -3.696 -6.579 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.453 -1.608 -7.502 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.425 -2.476 -8.626 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.689 -3.396 -9.692 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.486 -2.133 -8.776 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.131 -1.135 -10.837 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.989 -0.037 -11.618 1.00 14.76 H new ATOM 507 N ASP A 32 -5.437 -5.297 -8.693 1.00 10.93 N ATOM 508 CA ASP A 32 -5.376 -6.459 -9.544 1.00 14.01 C ATOM 509 C ASP A 32 -5.556 -7.727 -8.669 1.00 14.04 C ATOM 510 O ASP A 32 -6.248 -8.707 -9.076 1.00 13.39 O ATOM 511 CB ASP A 32 -4.010 -6.325 -10.291 1.00 18.01 C ATOM 512 CG ASP A 32 -3.880 -7.366 -11.427 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.710 -7.336 -12.383 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.026 -8.264 -11.323 1.00 25.17 O ATOM 0 H ASP A 32 -4.563 -4.775 -8.635 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.166 -6.541 -10.291 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.917 -5.321 -10.704 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.192 -6.455 -9.582 1.00 18.01 H new ATOM 519 N LYS A 33 -4.943 -7.784 -7.426 1.00 14.22 N ATOM 520 CA LYS A 33 -4.867 -9.090 -6.716 1.00 14.00 C ATOM 521 C LYS A 33 -6.152 -9.334 -5.972 1.00 12.37 C ATOM 522 O LYS A 33 -6.622 -10.461 -5.970 1.00 12.17 O ATOM 523 CB LYS A 33 -3.598 -9.162 -5.851 1.00 18.62 C ATOM 524 CG LYS A 33 -3.414 -10.510 -5.067 1.00 24.00 C ATOM 525 CD LYS A 33 -2.034 -10.644 -4.327 1.00 27.61 C ATOM 526 CE LYS A 33 -0.871 -10.680 -5.342 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.885 -11.989 -6.117 1.00 30.06 N ATOM 0 H LYS A 33 -4.527 -6.991 -6.938 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.769 -9.910 -7.428 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.729 -9.008 -6.491 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.616 -8.340 -5.135 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.216 -10.604 -4.335 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.521 -11.340 -5.765 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.900 -9.806 -3.643 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.026 -11.552 -3.725 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.956 -9.840 -6.032 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.079 -10.569 -4.820 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.016 -12.066 -6.684 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.936 -12.786 -5.451 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.712 -12.011 -6.747 1.00 30.06 H new ATOM 541 N GLU A 34 -6.659 -8.294 -5.302 1.00 10.11 N ATOM 542 CA GLU A 34 -7.808 -8.369 -4.411 1.00 10.07 C ATOM 543 C GLU A 34 -9.116 -7.662 -4.796 1.00 9.32 C ATOM 544 O GLU A 34 -10.137 -7.754 -4.107 1.00 11.61 O ATOM 545 CB GLU A 34 -7.435 -7.907 -3.023 1.00 14.77 C ATOM 546 CG GLU A 34 -6.425 -8.880 -2.408 1.00 18.75 C ATOM 547 CD GLU A 34 -7.038 -10.216 -2.169 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.170 -10.182 -1.578 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.520 -11.269 -2.541 1.00 25.19 O ATOM 0 H GLU A 34 -6.267 -7.355 -5.370 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.047 -9.430 -4.485 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.009 -6.905 -3.065 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.326 -7.849 -2.397 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.567 -8.985 -3.072 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.053 -8.475 -1.467 1.00 18.75 H new ATOM 556 N GLY A 35 -9.153 -6.998 -5.979 1.00 7.22 N ATOM 557 CA GLY A 35 -10.326 -6.349 -6.522 1.00 6.29 C ATOM 558 C GLY A 35 -10.855 -5.110 -5.796 1.00 6.93 C ATOM 559 O GLY A 35 -12.012 -4.876 -5.633 1.00 7.41 O ATOM 0 H GLY A 35 -8.335 -6.909 -6.581 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.106 -6.066 -7.551 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.129 -7.085 -6.558 1.00 6.29 H new ATOM 563 N ILE A 36 -9.858 -4.337 -5.182 1.00 5.86 N ATOM 564 CA ILE A 36 -10.087 -3.085 -4.416 1.00 6.07 C ATOM 565 C ILE A 36 -9.673 -1.880 -5.303 1.00 6.36 C ATOM 566 O ILE A 36 -8.461 -1.842 -5.663 1.00 6.18 O ATOM 567 CB ILE A 36 -9.401 -3.049 -3.073 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.620 -4.384 -2.303 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.000 -1.807 -2.235 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.751 -4.451 -1.015 1.00 9.49 C ATOM 0 H ILE A 36 -8.872 -4.596 -5.224 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.149 -3.033 -4.177 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.327 -2.925 -3.210 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.673 -4.483 -2.038 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.374 -5.224 -2.953 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.518 -1.761 -1.258 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.813 -0.879 -2.776 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.074 -1.941 -2.104 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.930 -5.397 -0.504 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.697 -4.378 -1.283 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.016 -3.626 -0.354 1.00 9.49 H new ATOM 582 N PRO A 37 -10.477 -0.932 -5.715 1.00 8.65 N ATOM 583 CA PRO A 37 -10.051 0.365 -6.356 1.00 9.18 C ATOM 584 C PRO A 37 -8.852 1.056 -5.703 1.00 9.85 C ATOM 585 O PRO A 37 -8.831 1.093 -4.436 1.00 8.51 O ATOM 586 CB PRO A 37 -11.305 1.294 -6.178 1.00 11.42 C ATOM 587 CG PRO A 37 -12.451 0.304 -6.172 1.00 9.27 C ATOM 588 CD PRO A 37 -11.900 -0.856 -5.390 1.00 8.33 C ATOM 0 HA PRO A 37 -9.735 0.171 -7.381 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.258 1.865 -5.251 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.395 2.014 -6.992 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.341 0.721 -5.700 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.734 0.010 -7.183 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.047 -0.708 -4.320 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.410 -1.782 -5.657 1.00 8.33 H new ATOM 596 N PRO A 38 -7.849 1.625 -6.335 1.00 8.71 N ATOM 597 CA PRO A 38 -6.799 2.389 -5.598 1.00 9.08 C ATOM 598 C PRO A 38 -7.350 3.637 -4.919 1.00 9.28 C ATOM 599 O PRO A 38 -6.730 4.126 -3.959 1.00 6.50 O ATOM 600 CB PRO A 38 -5.846 2.721 -6.758 1.00 10.31 C ATOM 601 CG PRO A 38 -5.900 1.540 -7.784 1.00 10.81 C ATOM 602 CD PRO A 38 -7.352 1.163 -7.650 1.00 12.00 C ATOM 0 HA PRO A 38 -6.340 1.849 -4.770 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.140 3.655 -7.237 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.830 2.858 -6.389 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.639 1.851 -8.796 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.229 0.723 -7.519 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.934 1.615 -8.453 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.471 0.083 -7.739 1.00 12.00 H new ATOM 610 N ASP A 39 -8.582 4.050 -5.351 1.00 11.20 N ATOM 611 CA ASP A 39 -9.291 5.202 -4.769 1.00 14.96 C ATOM 612 C ASP A 39 -9.962 4.797 -3.392 1.00 13.99 C ATOM 613 O ASP A 39 -10.597 5.629 -2.684 1.00 13.75 O ATOM 614 CB ASP A 39 -10.338 5.627 -5.817 1.00 24.16 C ATOM 615 CG ASP A 39 -9.607 6.655 -6.697 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.398 7.782 -6.182 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.295 6.439 -7.872 1.00 35.55 O ATOM 0 H ASP A 39 -9.094 3.590 -6.104 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.617 6.029 -4.545 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.681 4.775 -6.404 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.218 6.063 -5.345 1.00 24.16 H new ATOM 622 N GLN A 40 -9.965 3.519 -3.003 1.00 11.60 N ATOM 623 CA GLN A 40 -10.648 3.030 -1.832 1.00 10.76 C ATOM 624 C GLN A 40 -9.606 2.448 -0.860 1.00 8.01 C ATOM 625 O GLN A 40 -9.959 1.905 0.188 1.00 8.96 O ATOM 626 CB GLN A 40 -11.658 1.930 -2.124 1.00 11.14 C ATOM 627 CG GLN A 40 -13.084 2.460 -2.645 1.00 14.85 C ATOM 628 CD GLN A 40 -14.034 1.262 -2.903 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.849 0.141 -2.438 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.162 1.510 -3.561 1.00 18.16 N ATOM 0 H GLN A 40 -9.475 2.787 -3.517 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.191 3.879 -1.416 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.238 1.257 -2.872 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.811 1.344 -1.218 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.524 3.131 -1.907 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.954 3.036 -3.561 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.331 2.436 -3.953 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.859 0.774 -3.674 1.00 18.16 H new ATOM 639 N GLN A 41 -8.313 2.696 -1.082 1.00 6.52 N ATOM 640 CA GLN A 41 -7.306 2.099 -0.235 1.00 3.87 C ATOM 641 C GLN A 41 -6.525 3.250 0.265 1.00 4.79 C ATOM 642 O GLN A 41 -6.127 4.165 -0.461 1.00 6.34 O ATOM 643 CB GLN A 41 -6.323 1.337 -1.025 1.00 4.20 C ATOM 644 CG GLN A 41 -6.930 0.003 -1.592 1.00 3.20 C ATOM 645 CD GLN A 41 -5.837 -0.588 -2.448 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.802 -0.925 -1.921 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.000 -0.645 -3.797 1.00 7.13 N ATOM 0 H GLN A 41 -7.955 3.294 -1.827 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.779 1.459 0.509 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.966 1.953 -1.851 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.458 1.106 -0.403 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.212 -0.676 -0.787 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.829 0.195 -2.177 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.883 -0.355 -4.217 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.239 -0.978 -4.389 1.00 7.13 H new ATOM 656 N ARG A 42 -6.161 3.150 1.558 1.00 5.73 N ATOM 657 CA ARG A 42 -5.134 3.979 2.146 1.00 6.97 C ATOM 658 C ARG A 42 -4.070 3.098 2.750 1.00 7.15 C ATOM 659 O ARG A 42 -4.396 2.000 3.115 1.00 7.33 O ATOM 660 CB ARG A 42 -5.692 4.983 3.174 1.00 13.23 C ATOM 661 CG ARG A 42 -6.225 6.318 2.678 1.00 21.27 C ATOM 662 CD ARG A 42 -5.780 7.499 3.459 1.00 26.14 C ATOM 663 NE ARG A 42 -6.558 8.735 3.185 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.664 9.133 3.823 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.361 8.346 4.621 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.107 10.388 3.656 1.00 36.39 N ATOM 0 H ARG A 42 -6.581 2.487 2.210 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.694 4.586 1.355 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.497 4.487 3.717 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.902 5.190 3.896 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.920 6.451 1.640 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.314 6.284 2.688 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.850 7.266 4.522 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.729 7.689 3.243 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.215 9.339 2.438 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.063 7.383 4.775 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.198 8.701 5.083 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.601 11.030 3.046 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.950 10.700 4.139 1.00 36.39 H new ATOM 680 N LEU A 43 -2.841 3.622 2.852 1.00 4.65 N ATOM 681 CA LEU A 43 -1.723 2.720 3.238 1.00 3.51 C ATOM 682 C LEU A 43 -1.066 3.444 4.374 1.00 5.56 C ATOM 683 O LEU A 43 -0.851 4.636 4.309 1.00 4.19 O ATOM 684 CB LEU A 43 -0.786 2.551 1.975 1.00 3.74 C ATOM 685 CG LEU A 43 0.096 1.332 2.040 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.594 -0.011 1.796 1.00 9.55 C ATOM 687 CD2 LEU A 43 1.291 1.392 1.037 1.00 6.41 C ATOM 0 H LEU A 43 -2.594 4.598 2.687 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.009 1.714 3.545 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.404 2.495 1.079 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.160 3.438 1.876 1.00 3.74 H new ATOM 0 HG LEU A 43 0.429 1.369 3.077 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.139 -0.815 1.868 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.372 -0.162 2.544 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.041 -0.015 0.802 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.890 0.486 1.130 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.908 1.470 0.019 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.910 2.261 1.260 1.00 6.41 H new ATOM 699 N ILE A 44 -0.763 2.678 5.461 1.00 4.58 N ATOM 700 CA ILE A 44 -0.059 3.145 6.655 1.00 5.55 C ATOM 701 C ILE A 44 1.258 2.393 6.868 1.00 5.46 C ATOM 702 O ILE A 44 1.229 1.174 6.936 1.00 6.04 O ATOM 703 CB ILE A 44 -0.789 3.129 7.985 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.157 3.917 7.714 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.018 3.888 9.039 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.149 3.549 8.803 1.00 13.90 C ATOM 0 H ILE A 44 -1.017 1.692 5.515 1.00 4.58 H new ATOM 0 HA ILE A 44 0.072 4.197 6.400 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.946 2.113 8.348 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.980 4.993 7.710 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.556 3.656 6.734 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.516 3.870 9.989 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.992 3.415 9.161 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.154 4.921 8.719 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.087 4.077 8.634 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.329 2.474 8.783 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.744 3.831 9.775 1.00 13.90 H new ATOM 718 N PHE A 45 2.372 3.116 7.047 1.00 6.75 N ATOM 719 CA PHE A 45 3.641 2.604 7.534 1.00 4.70 C ATOM 720 C PHE A 45 4.337 3.719 8.282 1.00 6.34 C ATOM 721 O PHE A 45 4.021 4.882 8.071 1.00 5.45 O ATOM 722 CB PHE A 45 4.507 2.267 6.357 1.00 5.51 C ATOM 723 CG PHE A 45 5.881 1.789 6.561 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.046 0.544 7.178 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.954 2.447 6.159 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.301 0.071 7.656 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.246 1.959 6.447 1.00 6.64 C ATOM 728 CZ PHE A 45 8.424 0.832 7.279 1.00 6.84 C ATOM 0 H PHE A 45 2.405 4.115 6.845 1.00 6.75 H new ATOM 0 HA PHE A 45 3.475 1.731 8.165 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.983 1.506 5.778 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.565 3.159 5.733 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.179 -0.089 7.297 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.841 3.367 5.605 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.386 -0.815 8.268 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.109 2.453 6.026 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.410 0.557 7.622 1.00 6.84 H new ATOM 738 N ALA A 46 5.270 3.485 9.245 1.00 6.53 N ATOM 739 CA ALA A 46 6.026 4.482 9.970 1.00 7.15 C ATOM 740 C ALA A 46 5.254 5.562 10.712 1.00 9.00 C ATOM 741 O ALA A 46 5.735 6.654 10.939 1.00 11.15 O ATOM 742 CB ALA A 46 6.984 5.135 8.958 1.00 8.99 C ATOM 0 H ALA A 46 5.510 2.537 9.534 1.00 6.53 H new ATOM 0 HA ALA A 46 6.519 3.945 10.780 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.579 5.898 9.460 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.645 4.376 8.541 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.407 5.595 8.155 1.00 8.99 H new ATOM 748 N GLY A 47 4.013 5.242 11.130 1.00 9.35 N ATOM 749 CA GLY A 47 2.963 6.118 11.656 1.00 11.68 C ATOM 750 C GLY A 47 2.237 6.960 10.630 1.00 11.14 C ATOM 751 O GLY A 47 1.343 7.740 10.996 1.00 13.93 O ATOM 0 H GLY A 47 3.698 4.272 11.103 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.230 5.503 12.179 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.407 6.783 12.396 1.00 11.68 H new ATOM 755 N LYS A 48 2.518 6.861 9.355 1.00 10.47 N ATOM 756 CA LYS A 48 2.140 7.816 8.312 1.00 8.82 C ATOM 757 C LYS A 48 1.177 7.213 7.263 1.00 7.68 C ATOM 758 O LYS A 48 1.326 6.119 6.759 1.00 6.47 O ATOM 759 CB LYS A 48 3.436 8.283 7.567 1.00 9.74 C ATOM 760 CG LYS A 48 4.430 9.054 8.459 1.00 14.14 C ATOM 761 CD LYS A 48 5.779 9.077 7.794 1.00 16.32 C ATOM 762 CE LYS A 48 6.918 9.771 8.617 1.00 20.04 C ATOM 763 NZ LYS A 48 7.163 9.231 9.951 1.00 23.92 N ATOM 0 H LYS A 48 3.046 6.072 8.983 1.00 10.47 H new ATOM 0 HA LYS A 48 1.626 8.643 8.802 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.939 7.409 7.152 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.151 8.916 6.727 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.075 10.071 8.623 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.502 8.579 9.438 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.079 8.051 7.583 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.685 9.586 6.835 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.844 9.707 8.045 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.676 10.829 8.714 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.883 9.932 10.666 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.607 8.362 10.081 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.175 9.014 10.057 1.00 23.92 H new ATOM 777 N GLN A 49 0.122 8.034 6.955 1.00 8.89 N ATOM 778 CA GLN A 49 -0.695 7.751 5.800 1.00 7.18 C ATOM 779 C GLN A 49 0.046 8.085 4.548 1.00 8.23 C ATOM 780 O GLN A 49 0.410 9.258 4.298 1.00 9.70 O ATOM 781 CB GLN A 49 -1.990 8.575 5.825 1.00 11.67 C ATOM 782 CG GLN A 49 -2.864 7.972 6.972 1.00 15.82 C ATOM 783 CD GLN A 49 -4.208 8.675 7.061 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.594 9.614 6.296 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.041 8.183 7.969 1.00 20.67 N ATOM 0 H GLN A 49 -0.150 8.860 7.489 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.938 6.689 5.824 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.778 9.628 6.009 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.508 8.516 4.868 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.018 6.907 6.795 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.338 8.065 7.922 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.736 7.430 8.585 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.986 8.558 8.051 1.00 20.67 H new ATOM 794 N LEU A 50 0.418 7.032 3.745 1.00 6.51 N ATOM 795 CA LEU A 50 1.430 7.176 2.690 1.00 7.41 C ATOM 796 C LEU A 50 0.764 7.615 1.410 1.00 8.27 C ATOM 797 O LEU A 50 -0.362 7.195 1.121 1.00 8.34 O ATOM 798 CB LEU A 50 2.239 5.925 2.400 1.00 7.13 C ATOM 799 CG LEU A 50 2.601 4.994 3.542 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.500 3.844 3.067 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.398 5.799 4.529 1.00 9.11 C ATOM 0 H LEU A 50 0.025 6.094 3.823 1.00 6.51 H new ATOM 0 HA LEU A 50 2.133 7.918 3.068 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.687 5.341 1.664 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.169 6.239 1.926 1.00 7.13 H new ATOM 0 HG LEU A 50 1.687 4.577 3.964 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.740 3.197 3.911 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.979 3.266 2.303 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.421 4.251 2.649 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.681 5.166 5.370 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.296 6.182 4.045 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.796 6.633 4.889 1.00 9.11 H new ATOM 813 N GLU A 51 1.463 8.473 0.633 1.00 9.43 N ATOM 814 CA GLU A 51 0.887 9.219 -0.475 1.00 11.90 C ATOM 815 C GLU A 51 1.257 8.649 -1.861 1.00 11.49 C ATOM 816 O GLU A 51 2.303 7.993 -1.953 1.00 9.88 O ATOM 817 CB GLU A 51 1.129 10.712 -0.356 1.00 16.56 C ATOM 818 CG GLU A 51 0.428 11.391 0.854 1.00 26.06 C ATOM 819 CD GLU A 51 -1.025 11.671 0.891 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.705 11.289 -0.150 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.553 12.225 1.847 1.00 32.13 O ATOM 0 H GLU A 51 2.456 8.659 0.772 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.191 9.081 -0.397 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.202 10.887 -0.281 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.790 11.195 -1.272 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.646 10.773 1.725 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.931 12.346 1.007 1.00 26.06 H new ATOM 828 N ASP A 52 0.391 8.794 -2.902 1.00 12.71 N ATOM 829 CA ASP A 52 0.297 8.022 -4.125 1.00 16.56 C ATOM 830 C ASP A 52 1.631 8.019 -4.899 1.00 15.83 C ATOM 831 O ASP A 52 2.152 6.932 -5.266 1.00 17.21 O ATOM 832 CB ASP A 52 -0.821 8.545 -5.020 1.00 21.05 C ATOM 833 CG ASP A 52 -2.252 8.623 -4.373 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.425 9.440 -3.421 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.150 7.847 -4.823 1.00 25.82 O ATOM 0 H ASP A 52 -0.315 9.530 -2.881 1.00 12.71 H new ATOM 0 HA ASP A 52 0.066 6.996 -3.837 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.546 9.542 -5.364 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.879 7.908 -5.903 1.00 21.05 H new ATOM 840 N GLY A 53 2.168 9.292 -5.228 1.00 15.00 N ATOM 841 CA GLY A 53 3.324 9.458 -6.174 1.00 11.77 C ATOM 842 C GLY A 53 4.688 9.345 -5.589 1.00 11.10 C ATOM 843 O GLY A 53 5.704 9.350 -6.281 1.00 11.25 O ATOM 0 H GLY A 53 1.811 10.169 -4.850 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.229 8.711 -6.962 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.237 10.435 -6.649 1.00 11.77 H new ATOM 847 N ARG A 54 4.696 9.212 -4.233 1.00 8.53 N ATOM 848 CA ARG A 54 5.835 8.838 -3.434 1.00 9.05 C ATOM 849 C ARG A 54 6.178 7.398 -3.762 1.00 8.96 C ATOM 850 O ARG A 54 5.359 6.574 -4.129 1.00 11.60 O ATOM 851 CB ARG A 54 5.539 8.978 -1.919 1.00 7.97 C ATOM 852 CG ARG A 54 4.816 10.251 -1.487 1.00 9.62 C ATOM 853 CD ARG A 54 5.710 11.461 -1.542 1.00 12.20 C ATOM 854 NE ARG A 54 4.840 12.674 -1.397 1.00 18.23 N ATOM 855 CZ ARG A 54 4.675 13.298 -0.238 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.261 12.834 0.849 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.861 14.370 -0.237 1.00 23.38 N ATOM 0 H ARG A 54 3.861 9.375 -3.670 1.00 8.53 H new ATOM 0 HA ARG A 54 6.670 9.501 -3.662 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.941 8.122 -1.607 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.484 8.921 -1.379 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.951 10.411 -2.130 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.439 10.126 -0.472 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.453 11.425 -0.745 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.256 11.492 -2.485 1.00 12.20 H new ATOM 0 HE ARG A 54 4.357 13.033 -2.221 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.840 11.996 0.798 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.135 13.313 1.741 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.406 14.666 -1.101 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.699 14.887 0.627 1.00 23.38 H new ATOM 871 N THR A 55 7.498 6.990 -3.656 1.00 9.05 N ATOM 872 CA THR A 55 7.929 5.641 -3.931 1.00 9.03 C ATOM 873 C THR A 55 8.129 4.896 -2.668 1.00 8.15 C ATOM 874 O THR A 55 8.229 5.419 -1.583 1.00 5.91 O ATOM 875 CB THR A 55 9.137 5.401 -4.814 1.00 11.15 C ATOM 876 OG1 THR A 55 10.362 5.847 -4.221 1.00 11.95 O ATOM 877 CG2 THR A 55 9.038 6.205 -6.114 1.00 11.71 C ATOM 0 H THR A 55 8.255 7.614 -3.377 1.00 9.05 H new ATOM 0 HA THR A 55 7.097 5.282 -4.537 1.00 9.03 H new ATOM 0 HB THR A 55 9.144 4.323 -4.974 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.205 6.684 -3.736 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.918 6.014 -6.728 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.143 5.906 -6.659 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.983 7.268 -5.881 1.00 11.71 H new ATOM 885 N LEU A 56 8.270 3.570 -2.778 1.00 6.91 N ATOM 886 CA LEU A 56 8.470 2.645 -1.643 1.00 8.29 C ATOM 887 C LEU A 56 9.842 2.979 -1.033 1.00 8.05 C ATOM 888 O LEU A 56 10.032 3.012 0.215 1.00 10.17 O ATOM 889 CB LEU A 56 8.577 1.256 -2.205 1.00 6.60 C ATOM 890 CG LEU A 56 7.231 0.640 -2.475 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.242 -0.486 -3.622 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.581 -0.048 -1.310 1.00 8.64 C ATOM 0 H LEU A 56 8.248 3.093 -3.679 1.00 6.91 H new ATOM 0 HA LEU A 56 7.662 2.725 -0.915 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.152 1.285 -3.130 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.128 0.626 -1.507 1.00 6.60 H new ATOM 0 HG LEU A 56 6.674 1.532 -2.763 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.234 -0.879 -3.755 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.587 -0.048 -4.558 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.912 -1.295 -3.331 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.618 -0.454 -1.619 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.222 -0.858 -0.962 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.431 0.668 -0.502 1.00 8.64 H new ATOM 904 N SER A 57 10.782 3.344 -1.852 1.00 8.92 N ATOM 905 CA SER A 57 12.135 3.762 -1.517 1.00 9.00 C ATOM 906 C SER A 57 12.270 5.096 -0.707 1.00 9.44 C ATOM 907 O SER A 57 13.083 5.269 0.245 1.00 10.91 O ATOM 908 CB SER A 57 13.115 3.730 -2.656 1.00 10.32 C ATOM 909 OG SER A 57 14.438 3.759 -2.178 1.00 13.59 O ATOM 0 H SER A 57 10.621 3.363 -2.859 1.00 8.92 H new ATOM 0 HA SER A 57 12.416 2.966 -0.827 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.958 2.830 -3.251 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.943 4.582 -3.314 1.00 10.32 H new ATOM 0 HG SER A 57 15.060 3.736 -2.935 1.00 13.59 H new ATOM 915 N ASP A 58 11.398 6.112 -1.000 1.00 9.11 N ATOM 916 CA ASP A 58 11.345 7.407 -0.306 1.00 7.91 C ATOM 917 C ASP A 58 10.882 7.320 1.119 1.00 9.12 C ATOM 918 O ASP A 58 11.256 8.197 1.900 1.00 8.61 O ATOM 919 CB ASP A 58 10.407 8.316 -1.084 1.00 8.41 C ATOM 920 CG ASP A 58 10.905 8.677 -2.524 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.863 9.422 -2.689 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.204 8.232 -3.488 1.00 11.70 O ATOM 0 H ASP A 58 10.705 6.035 -1.744 1.00 9.11 H new ATOM 0 HA ASP A 58 12.362 7.797 -0.267 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.433 7.833 -1.160 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.263 9.238 -0.520 1.00 8.41 H new ATOM 927 N TYR A 59 10.099 6.293 1.499 1.00 7.97 N ATOM 928 CA TYR A 59 9.649 5.920 2.831 1.00 8.45 C ATOM 929 C TYR A 59 10.602 4.951 3.507 1.00 10.98 C ATOM 930 O TYR A 59 10.301 4.552 4.617 1.00 12.95 O ATOM 931 CB TYR A 59 8.281 5.192 2.799 1.00 7.94 C ATOM 932 CG TYR A 59 7.226 6.233 2.492 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.900 7.175 3.511 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.466 6.253 1.272 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.851 8.020 3.366 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.420 7.088 1.121 1.00 6.52 C ATOM 937 CZ TYR A 59 5.114 8.061 2.155 1.00 6.76 C ATOM 938 OH TYR A 59 4.280 9.072 1.845 1.00 7.63 O ATOM 0 H TYR A 59 9.735 5.645 0.801 1.00 7.97 H new ATOM 0 HA TYR A 59 9.589 6.863 3.375 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.280 4.408 2.041 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.079 4.710 3.756 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.497 7.216 4.410 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.738 5.589 0.465 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.573 8.670 4.182 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.809 7.034 0.232 1.00 6.52 H new ATOM 0 HH TYR A 59 4.801 9.881 1.661 1.00 7.63 H new ATOM 948 N ASN A 60 11.659 4.592 2.784 1.00 12.38 N ATOM 949 CA ASN A 60 12.521 3.535 3.121 1.00 13.94 C ATOM 950 C ASN A 60 11.877 2.178 3.382 1.00 14.16 C ATOM 951 O ASN A 60 12.084 1.586 4.445 1.00 14.26 O ATOM 952 CB ASN A 60 13.382 3.879 4.355 1.00 19.23 C ATOM 953 CG ASN A 60 13.964 5.271 4.122 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.593 6.342 4.644 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.018 5.259 3.240 1.00 24.09 N ATOM 0 H ASN A 60 11.922 5.066 1.920 1.00 12.38 H new ATOM 0 HA ASN A 60 13.115 3.429 2.213 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.779 3.861 5.263 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.178 3.146 4.486 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.500 6.128 3.010 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.318 4.381 2.816 1.00 24.09 H new ATOM 962 N ILE A 61 10.994 1.654 2.426 1.00 11.08 N ATOM 963 CA ILE A 61 10.240 0.438 2.660 1.00 11.78 C ATOM 964 C ILE A 61 11.090 -0.735 2.161 1.00 13.74 C ATOM 965 O ILE A 61 11.405 -0.838 0.974 1.00 14.60 O ATOM 966 CB ILE A 61 8.895 0.426 2.037 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.002 1.448 2.695 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.311 -0.982 2.116 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.706 1.729 1.922 1.00 11.42 C ATOM 0 H ILE A 61 10.824 2.083 1.517 1.00 11.08 H new ATOM 0 HA ILE A 61 10.043 0.361 3.729 1.00 11.78 H new ATOM 0 HB ILE A 61 8.973 0.700 0.985 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.748 1.103 3.697 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.555 2.380 2.809 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.322 -0.992 1.658 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.963 -1.677 1.586 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.230 -1.284 3.160 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.117 2.474 2.458 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.949 2.105 0.928 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.130 0.808 1.831 1.00 11.42 H new ATOM 981 N GLN A 62 11.600 -1.586 3.093 1.00 13.97 N ATOM 982 CA GLN A 62 12.427 -2.744 2.726 1.00 15.52 C ATOM 983 C GLN A 62 11.631 -4.078 2.622 1.00 13.94 C ATOM 984 O GLN A 62 10.489 -4.210 3.028 1.00 12.15 O ATOM 985 CB GLN A 62 13.545 -2.980 3.827 1.00 19.53 C ATOM 986 CG GLN A 62 14.418 -1.724 3.970 1.00 26.38 C ATOM 987 CD GLN A 62 15.609 -1.930 4.889 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.778 -1.158 5.825 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.448 -2.902 4.571 1.00 32.71 N ATOM 0 H GLN A 62 11.448 -1.483 4.096 1.00 13.97 H new ATOM 0 HA GLN A 62 12.840 -2.501 1.747 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.080 -3.220 4.783 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.164 -3.833 3.551 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.774 -1.422 2.985 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.808 -0.906 4.353 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.246 -3.510 3.777 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.296 -3.043 5.119 1.00 32.71 H new ATOM 998 N LYS A 63 12.188 -5.099 1.952 1.00 11.73 N ATOM 999 CA LYS A 63 11.720 -6.459 1.809 1.00 11.97 C ATOM 1000 C LYS A 63 11.136 -7.023 3.090 1.00 10.41 C ATOM 1001 O LYS A 63 11.721 -7.114 4.154 1.00 9.59 O ATOM 1002 CB LYS A 63 12.838 -7.471 1.294 1.00 13.73 C ATOM 1003 CG LYS A 63 13.952 -7.927 2.262 1.00 16.98 C ATOM 1004 CD LYS A 63 15.019 -8.803 1.643 1.00 20.19 C ATOM 1005 CE LYS A 63 16.019 -9.486 2.541 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.923 -10.363 1.847 1.00 25.97 N ATOM 0 H LYS A 63 13.066 -4.963 1.451 1.00 11.73 H new ATOM 0 HA LYS A 63 10.939 -6.379 1.053 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.329 -8.366 0.936 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.322 -7.013 0.431 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.429 -7.043 2.685 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.494 -8.468 3.090 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.514 -9.577 1.065 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.578 -8.190 0.936 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.597 -8.727 3.067 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.482 -10.059 3.297 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.579 -10.795 2.528 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.382 -11.110 1.366 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.463 -9.819 1.144 1.00 25.97 H new ATOM 1020 N GLU A 64 9.921 -7.520 2.891 1.00 10.04 N ATOM 1021 CA GLU A 64 9.098 -8.232 3.854 1.00 10.94 C ATOM 1022 C GLU A 64 8.703 -7.300 4.967 1.00 9.74 C ATOM 1023 O GLU A 64 8.283 -7.751 6.044 1.00 9.42 O ATOM 1024 CB GLU A 64 9.762 -9.588 4.348 1.00 18.31 C ATOM 1025 CG GLU A 64 9.963 -10.569 3.179 1.00 24.16 C ATOM 1026 CD GLU A 64 10.643 -11.772 3.739 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.987 -12.432 4.615 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.784 -12.173 3.295 1.00 31.72 O ATOM 0 H GLU A 64 9.455 -7.428 1.988 1.00 10.04 H new ATOM 0 HA GLU A 64 8.182 -8.557 3.361 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.723 -9.376 4.817 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.131 -10.049 5.108 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.006 -10.839 2.732 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.566 -10.115 2.393 1.00 24.16 H new ATOM 1035 N SER A 65 8.763 -5.975 4.799 1.00 6.85 N ATOM 1036 CA SER A 65 8.204 -5.021 5.794 1.00 6.90 C ATOM 1037 C SER A 65 6.685 -5.160 5.797 1.00 4.72 C ATOM 1038 O SER A 65 6.058 -5.428 4.800 1.00 3.91 O ATOM 1039 CB SER A 65 8.638 -3.600 5.378 1.00 7.28 C ATOM 1040 OG SER A 65 8.480 -2.551 6.351 1.00 10.56 O ATOM 0 H SER A 65 9.190 -5.528 3.988 1.00 6.85 H new ATOM 0 HA SER A 65 8.568 -5.224 6.801 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.689 -3.639 5.091 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.074 -3.322 4.487 1.00 7.28 H new ATOM 0 HG SER A 65 7.760 -1.949 6.069 1.00 10.56 H new ATOM 1046 N THR A 66 6.018 -4.946 6.953 1.00 4.48 N ATOM 1047 CA THR A 66 4.577 -4.916 7.064 1.00 3.80 C ATOM 1048 C THR A 66 4.094 -3.473 6.765 1.00 4.60 C ATOM 1049 O THR A 66 4.525 -2.442 7.307 1.00 5.33 O ATOM 1050 CB THR A 66 4.056 -5.343 8.415 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.344 -6.699 8.704 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.518 -5.232 8.550 1.00 3.40 C ATOM 0 H THR A 66 6.493 -4.788 7.842 1.00 4.48 H new ATOM 0 HA THR A 66 4.186 -5.636 6.345 1.00 3.80 H new ATOM 0 HB THR A 66 4.560 -4.660 9.099 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.989 -6.928 9.588 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.216 -5.555 9.546 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.213 -4.197 8.396 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.040 -5.866 7.803 1.00 3.40 H new ATOM 1060 N LEU A 67 3.138 -3.393 5.847 1.00 4.17 N ATOM 1061 CA LEU A 67 2.370 -2.194 5.507 1.00 3.85 C ATOM 1062 C LEU A 67 0.981 -2.451 6.062 1.00 3.80 C ATOM 1063 O LEU A 67 0.540 -3.606 6.155 1.00 5.54 O ATOM 1064 CB LEU A 67 2.455 -1.997 4.002 1.00 7.18 C ATOM 1065 CG LEU A 67 3.841 -1.809 3.439 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.878 -1.829 1.916 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.613 -0.588 4.002 1.00 11.66 C ATOM 0 H LEU A 67 2.861 -4.201 5.290 1.00 4.17 H new ATOM 0 HA LEU A 67 2.734 -1.259 5.934 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.001 -2.860 3.516 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.854 -1.128 3.734 1.00 7.18 H new ATOM 0 HG LEU A 67 4.378 -2.688 3.795 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.904 -1.689 1.575 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.504 -2.787 1.556 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.253 -1.026 1.526 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.598 -0.535 3.538 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.059 0.325 3.783 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.725 -0.694 5.081 1.00 11.66 H new ATOM 1079 N HIS A 68 0.195 -1.392 6.412 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.122 -1.492 6.835 1.00 4.17 C ATOM 1081 C HIS A 68 -2.030 -1.009 5.757 1.00 5.32 C ATOM 1082 O HIS A 68 -1.757 0.047 5.160 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.354 -0.866 8.209 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.234 -1.231 9.227 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.905 -0.501 9.350 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.046 -2.318 10.001 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.762 -1.149 10.165 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.192 -2.242 10.603 1.00 16.30 N ATOM 0 H HIS A 68 0.532 -0.430 6.385 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.367 -2.541 7.003 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.408 0.218 8.106 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.317 -1.198 8.598 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.084 0.395 8.897 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.754 -3.123 10.130 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.759 -0.819 10.416 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.054 -1.762 5.499 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.084 -1.469 4.498 1.00 3.97 C ATOM 1098 C LEU A 69 -5.374 -1.093 5.190 1.00 5.07 C ATOM 1099 O LEU A 69 -6.127 -1.876 5.765 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.307 -2.611 3.454 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.217 -2.308 2.210 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.595 -1.159 1.409 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.527 -3.574 1.415 1.00 9.96 C ATOM 0 H LEU A 69 -3.220 -2.640 5.991 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.720 -0.625 3.912 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.329 -2.921 3.085 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.734 -3.465 3.980 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.202 -1.965 2.527 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.219 -0.940 0.542 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.525 -0.272 2.039 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.598 -1.446 1.075 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.159 -3.323 0.563 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.597 -4.017 1.059 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.047 -4.287 2.055 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.659 0.185 5.101 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.955 0.664 5.626 1.00 6.26 C ATOM 1117 C VAL A 70 -7.829 1.287 4.562 1.00 9.22 C ATOM 1118 O VAL A 70 -7.442 2.108 3.752 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.834 1.640 6.788 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.132 0.914 7.995 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.045 2.946 6.580 1.00 8.54 C ATOM 0 H VAL A 70 -5.055 0.898 4.693 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.427 -0.246 5.995 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.870 1.940 6.943 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.041 1.606 8.832 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.728 0.053 8.298 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.140 0.579 7.691 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.055 3.528 7.502 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.016 2.710 6.310 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.506 3.526 5.780 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.022 0.704 4.410 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.924 0.975 3.301 1.00 16.06 C ATOM 1133 C LEU A 71 -10.628 2.207 3.630 1.00 18.09 C ATOM 1134 O LEU A 71 -11.116 2.376 4.747 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.820 -0.178 2.916 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.955 -1.467 2.565 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.807 -2.632 1.997 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.770 -1.107 1.607 1.00 19.57 C ATOM 0 H LEU A 71 -9.389 0.018 5.070 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.352 1.105 2.382 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.503 -0.404 3.735 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.432 0.101 2.058 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.538 -1.826 3.506 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.161 -3.482 1.777 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.556 -2.926 2.732 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.303 -2.308 1.082 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.196 -2.007 1.384 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.165 -0.690 0.681 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.123 -0.374 2.088 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.795 3.076 2.636 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.343 4.402 2.721 1.00 25.83 C ATOM 1152 C ARG A 72 -12.757 4.644 2.989 1.00 27.74 C ATOM 1153 O ARG A 72 -13.676 4.073 2.374 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.879 5.210 1.491 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.869 6.788 1.641 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.383 7.376 0.344 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.240 8.882 0.527 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.174 9.534 0.103 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.283 8.927 -0.668 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.063 10.863 0.340 1.00 35.02 N ATOM 0 H ARG A 72 -10.525 2.840 1.681 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.936 4.733 3.676 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.871 4.886 1.231 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.524 4.952 0.651 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.868 7.155 1.875 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.219 7.088 2.463 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.427 6.935 0.062 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.085 7.156 -0.460 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.988 9.399 0.989 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.420 7.952 -0.936 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.460 9.435 -0.994 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.801 11.355 0.844 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.241 11.372 0.015 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.969 5.620 3.892 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.330 6.111 4.240 1.00 30.76 C ATOM 1176 C LEU A 73 -14.243 7.597 3.785 1.00 32.18 C ATOM 1177 O LEU A 73 -13.194 8.199 3.726 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.629 5.991 5.711 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.762 4.565 6.201 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.670 4.357 7.702 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.937 3.931 5.548 1.00 29.11 C ATOM 0 H LEU A 73 -12.218 6.089 4.398 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.134 5.544 3.771 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.836 6.484 6.273 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.554 6.526 5.928 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.863 4.035 5.885 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.780 3.297 7.930 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -13.701 4.707 8.059 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.463 4.918 8.196 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.037 2.903 5.898 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.839 4.490 5.800 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.798 3.934 4.467 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.407 8.245 3.507 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.528 9.505 2.802 1.00 35.33 C ATOM 1195 C ARG A 74 -15.095 10.765 3.548 1.00 36.22 C ATOM 1196 O ARG A 74 -14.586 11.716 2.926 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.955 9.707 2.193 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.334 8.643 1.120 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.635 8.844 -0.227 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.225 7.915 -1.238 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.959 7.973 -2.561 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.957 8.710 -3.008 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.737 7.371 -3.444 1.00 41.93 N ATOM 0 H ARG A 74 -16.312 7.869 3.790 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.790 9.390 2.008 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.691 9.678 2.997 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.012 10.699 1.744 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.087 7.652 1.502 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.413 8.666 0.965 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.748 9.877 -0.557 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.566 8.657 -0.126 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.867 7.194 -0.909 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.381 9.238 -2.353 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.760 8.750 -4.008 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.556 6.850 -3.131 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.518 7.427 -4.439 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.200 10.762 4.893 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.867 11.940 5.694 1.00 36.07 C ATOM 1219 C GLY A 75 -13.600 11.831 6.510 1.00 36.16 C ATOM 1220 O GLY A 75 -13.166 12.836 7.048 1.00 36.26 O ATOM 0 H GLY A 75 -15.512 9.958 5.437 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.777 12.798 5.028 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.697 12.146 6.369 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.986 10.642 6.552 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.768 10.340 7.220 1.00 36.19 C ATOM 1226 C GLY A 76 -10.702 9.885 6.182 1.00 36.20 C ATOM 1227 O GLY A 76 -10.406 10.721 5.295 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.195 8.757 6.313 1.00 0.00 O ATOM 0 H GLY A 76 -13.375 9.826 6.079 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.412 11.216 7.762 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.931 9.554 7.957 1.00 36.19 H new TER 1232 GLY A 76