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 55 THR OG1 : rot -44:sc= 1.45 USER MOD Set 1.2: A 57 SER OG : rot -4:sc= 0.181 USER MOD Set 2.1: A 7 THR OG1 : rot 142:sc= 1.4 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0993) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.37 (180deg=2.23) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.179 F(o=-0.78,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.189 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= 1.09 (180deg=-0.979!) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 1.22 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.955 K(o=-0.96,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.106 (180deg=-0.482) USER MOD Single : A 40 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.1) USER MOD Single : A 41 GLN : amide:sc= 0.813 K(o=0.81,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.981 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0244 X(o=0.024,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.119 -8.176 -5.143 1.00 9.67 N ATOM 2 CA MET A 1 11.035 -8.377 -3.681 1.00 10.38 C ATOM 3 C MET A 1 9.683 -8.517 -3.180 1.00 9.62 C ATOM 4 O MET A 1 8.791 -7.778 -3.598 1.00 9.62 O ATOM 5 CB MET A 1 11.911 -7.287 -2.985 1.00 13.77 C ATOM 6 CG MET A 1 11.287 -5.800 -2.959 1.00 16.29 C ATOM 7 SD MET A 1 12.183 -4.647 -1.795 1.00 17.17 S ATOM 8 CE MET A 1 10.733 -3.620 -1.730 1.00 16.11 C ATOM 0 H1 MET A 1 12.106 -8.287 -5.453 1.00 9.67 H new ATOM 0 H2 MET A 1 10.523 -8.879 -5.625 1.00 9.67 H new ATOM 0 H3 MET A 1 10.787 -7.220 -5.382 1.00 9.67 H new ATOM 0 HA MET A 1 11.452 -9.350 -3.420 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.100 -7.600 -1.958 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.877 -7.247 -3.489 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.315 -5.383 -3.966 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.238 -5.858 -2.667 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.963 -2.699 -1.194 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.412 -3.379 -2.743 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.934 -4.151 -1.213 1.00 16.11 H new ATOM 20 N GLN A 2 9.414 -9.346 -2.200 1.00 9.27 N ATOM 21 CA GLN A 2 8.054 -9.480 -1.592 1.00 9.07 C ATOM 22 C GLN A 2 7.908 -8.460 -0.417 1.00 8.72 C ATOM 23 O GLN A 2 8.853 -8.288 0.374 1.00 8.22 O ATOM 24 CB GLN A 2 7.872 -10.888 -0.926 1.00 14.46 C ATOM 25 CG GLN A 2 7.794 -12.019 -1.996 1.00 17.01 C ATOM 26 CD GLN A 2 7.702 -13.373 -1.325 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.537 -14.099 -1.416 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 8.597 -13.776 -0.621 1.00 19.49 N flip ATOM 0 H GLN A 2 10.112 -9.960 -1.781 1.00 9.27 H new ATOM 0 HA GLN A 2 7.329 -9.319 -2.390 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.704 -11.082 -0.249 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.964 -10.892 -0.323 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.926 -11.863 -2.637 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.674 -11.983 -2.638 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.465 -13.246 -0.546 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.485 -14.647 -0.101 1.00 19.49 H new ATOM 37 N ILE A 3 6.720 -7.758 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.377 -7.069 0.986 1.00 5.07 C ATOM 39 C ILE A 3 4.994 -7.574 1.415 1.00 4.01 C ATOM 40 O ILE A 3 4.241 -8.165 0.681 1.00 4.61 O ATOM 41 CB ILE A 3 6.232 -5.561 0.729 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.366 -5.278 -0.535 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.627 -4.957 0.737 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.028 -3.848 -0.709 1.00 10.83 C ATOM 0 H ILE A 3 6.010 -7.677 -0.980 1.00 5.87 H new ATOM 0 HA ILE A 3 7.149 -7.251 1.734 1.00 5.07 H new ATOM 0 HB ILE A 3 5.668 -5.064 1.518 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.901 -5.627 -1.418 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.444 -5.856 -0.471 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.560 -3.884 0.557 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.095 -5.134 1.706 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.228 -5.419 -0.046 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.424 -3.724 -1.608 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.466 -3.499 0.157 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.945 -3.266 -0.804 1.00 10.83 H new ATOM 56 N PHE A 4 4.710 -7.339 2.681 1.00 4.55 N ATOM 57 CA PHE A 4 3.463 -7.828 3.232 1.00 4.68 C ATOM 58 C PHE A 4 2.502 -6.679 3.600 1.00 5.30 C ATOM 59 O PHE A 4 2.912 -5.632 4.028 1.00 5.58 O ATOM 60 CB PHE A 4 3.756 -8.623 4.474 1.00 4.83 C ATOM 61 CG PHE A 4 4.779 -9.706 4.293 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.697 -10.507 3.131 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.687 -10.004 5.244 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.587 -11.610 2.995 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.610 -10.995 5.065 1.00 10.61 C ATOM 66 CZ PHE A 4 6.622 -11.745 3.886 1.00 8.90 C ATOM 0 H PHE A 4 5.307 -6.827 3.331 1.00 4.55 H new ATOM 0 HA PHE A 4 2.982 -8.443 2.472 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.100 -7.943 5.253 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.829 -9.072 4.830 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.973 -10.286 2.361 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.685 -9.446 6.169 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.450 -12.330 2.202 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.335 -11.200 5.839 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.436 -12.423 3.678 1.00 8.90 H new ATOM 76 N VAL A 5 1.179 -6.921 3.423 1.00 4.44 N ATOM 77 CA VAL A 5 0.227 -5.872 3.749 1.00 3.87 C ATOM 78 C VAL A 5 -0.784 -6.501 4.664 1.00 4.93 C ATOM 79 O VAL A 5 -1.316 -7.553 4.298 1.00 6.84 O ATOM 80 CB VAL A 5 -0.488 -5.441 2.548 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.407 -4.219 2.857 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.500 -4.881 1.453 1.00 9.13 C ATOM 0 H VAL A 5 0.778 -7.792 3.074 1.00 4.44 H new ATOM 0 HA VAL A 5 0.740 -5.017 4.190 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.036 -6.320 2.209 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.928 -3.917 1.949 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.136 -4.495 3.619 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.800 -3.390 3.220 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.067 -4.571 0.576 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.042 -4.025 1.856 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.209 -5.659 1.170 1.00 9.13 H new ATOM 92 N LYS A 6 -1.075 -5.942 5.845 1.00 6.04 N ATOM 93 CA LYS A 6 -2.026 -6.465 6.765 1.00 6.12 C ATOM 94 C LYS A 6 -3.289 -5.644 6.780 1.00 6.57 C ATOM 95 O LYS A 6 -3.315 -4.426 7.039 1.00 5.76 O ATOM 96 CB LYS A 6 -1.554 -6.605 8.210 1.00 7.45 C ATOM 97 CG LYS A 6 -0.314 -7.483 8.372 1.00 11.12 C ATOM 98 CD LYS A 6 0.357 -7.482 9.723 1.00 14.54 C ATOM 99 CE LYS A 6 -0.583 -7.947 10.837 1.00 18.84 C ATOM 100 NZ LYS A 6 0.130 -7.921 12.134 1.00 20.55 N ATOM 0 H LYS A 6 -0.627 -5.087 6.174 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.197 -7.472 6.385 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.341 -5.614 8.610 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.364 -7.023 8.808 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.593 -8.509 8.134 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.420 -7.171 7.629 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.231 -8.132 9.693 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.715 -6.477 9.948 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.460 -7.301 10.880 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.940 -8.955 10.627 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.511 -8.237 12.889 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.953 -8.555 12.090 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.450 -6.952 12.335 1.00 20.55 H new ATOM 114 N THR A 7 -4.402 -6.242 6.427 1.00 7.41 N ATOM 115 CA THR A 7 -5.667 -5.568 6.297 1.00 7.48 C ATOM 116 C THR A 7 -6.367 -5.323 7.635 1.00 8.75 C ATOM 117 O THR A 7 -5.958 -5.902 8.675 1.00 8.58 O ATOM 118 CB THR A 7 -6.702 -6.258 5.399 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.178 -7.462 5.969 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.073 -6.688 4.069 1.00 9.17 C ATOM 0 H THR A 7 -4.451 -7.239 6.217 1.00 7.41 H new ATOM 0 HA THR A 7 -5.355 -4.634 5.829 1.00 7.48 H new ATOM 0 HB THR A 7 -7.502 -5.529 5.270 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.137 -7.552 5.789 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.827 -7.175 3.450 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.687 -5.811 3.549 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.257 -7.384 4.261 1.00 9.17 H new ATOM 128 N LEU A 8 -7.559 -4.589 7.750 1.00 9.84 N ATOM 129 CA LEU A 8 -8.139 -4.546 9.098 1.00 14.15 C ATOM 130 C LEU A 8 -9.207 -5.642 9.149 1.00 17.37 C ATOM 131 O LEU A 8 -9.965 -5.857 10.101 1.00 17.01 O ATOM 132 CB LEU A 8 -8.943 -3.254 9.551 1.00 16.63 C ATOM 133 CG LEU A 8 -8.110 -1.941 9.487 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.998 -0.749 9.669 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.967 -1.961 10.508 1.00 18.59 C ATOM 0 H LEU A 8 -8.053 -4.093 7.008 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.265 -4.620 9.746 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.824 -3.145 8.918 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.299 -3.398 10.571 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.654 -1.869 8.500 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.400 0.161 9.622 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.749 -0.731 8.879 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.492 -0.808 10.639 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.402 -1.031 10.440 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.378 -2.064 11.512 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.307 -2.802 10.298 1.00 18.59 H new ATOM 147 N THR A 9 -9.367 -6.454 8.079 1.00 18.33 N ATOM 148 CA THR A 9 -10.376 -7.470 7.944 1.00 19.24 C ATOM 149 C THR A 9 -9.800 -8.803 8.307 1.00 19.48 C ATOM 150 O THR A 9 -10.395 -9.803 8.052 1.00 23.14 O ATOM 151 CB THR A 9 -10.940 -7.517 6.497 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.874 -7.539 5.519 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.794 -6.228 6.100 1.00 19.70 C ATOM 0 H THR A 9 -8.758 -6.397 7.263 1.00 18.33 H new ATOM 0 HA THR A 9 -11.197 -7.227 8.619 1.00 19.24 H new ATOM 0 HB THR A 9 -11.557 -8.416 6.490 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.258 -7.570 4.618 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.155 -6.332 5.077 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.643 -6.132 6.776 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.168 -5.339 6.175 1.00 19.70 H new ATOM 161 N GLY A 10 -8.598 -8.820 8.921 1.00 19.43 N ATOM 162 CA GLY A 10 -7.965 -10.079 9.347 1.00 18.74 C ATOM 163 C GLY A 10 -7.308 -10.914 8.269 1.00 17.62 C ATOM 164 O GLY A 10 -7.254 -12.167 8.368 1.00 19.74 O ATOM 0 H GLY A 10 -8.054 -7.983 9.130 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.212 -9.843 10.099 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.723 -10.691 9.836 1.00 18.74 H new ATOM 168 N LYS A 11 -6.768 -10.222 7.225 1.00 13.56 N ATOM 169 CA LYS A 11 -6.140 -10.881 6.072 1.00 11.91 C ATOM 170 C LYS A 11 -4.707 -10.287 5.893 1.00 10.18 C ATOM 171 O LYS A 11 -4.433 -9.138 6.258 1.00 9.10 O ATOM 172 CB LYS A 11 -7.008 -10.635 4.808 1.00 13.43 C ATOM 173 CG LYS A 11 -7.079 -11.807 3.833 1.00 16.69 C ATOM 174 CD LYS A 11 -7.658 -11.442 2.452 1.00 17.92 C ATOM 175 CE LYS A 11 -7.251 -12.531 1.513 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.094 -12.490 0.314 1.00 21.93 N ATOM 0 H LYS A 11 -6.762 -9.203 7.171 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.065 -11.957 6.229 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.020 -10.384 5.125 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.615 -9.766 4.280 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.077 -12.215 3.699 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.688 -12.596 4.274 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.744 -11.357 2.498 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.277 -10.478 2.115 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.203 -12.414 1.237 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.345 -13.500 2.002 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.619 -12.995 -0.462 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.007 -12.946 0.516 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.255 -11.501 0.036 1.00 21.93 H new ATOM 190 N THR A 12 -3.827 -11.064 5.298 1.00 9.63 N ATOM 191 CA THR A 12 -2.413 -10.736 5.036 1.00 9.85 C ATOM 192 C THR A 12 -2.088 -11.170 3.628 1.00 11.66 C ATOM 193 O THR A 12 -2.082 -12.372 3.300 1.00 12.33 O ATOM 194 CB THR A 12 -1.368 -11.281 6.073 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.842 -11.189 7.430 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.017 -10.577 5.988 1.00 9.63 C ATOM 0 H THR A 12 -4.077 -11.994 4.960 1.00 9.63 H new ATOM 0 HA THR A 12 -2.315 -9.657 5.156 1.00 9.85 H new ATOM 0 HB THR A 12 -1.237 -12.329 5.802 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.160 -11.541 8.039 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.661 -10.999 6.730 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.404 -10.716 4.992 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.149 -9.512 6.181 1.00 9.63 H new ATOM 204 N ILE A 13 -1.795 -10.161 2.776 1.00 10.42 N ATOM 205 CA ILE A 13 -1.588 -10.446 1.345 1.00 11.84 C ATOM 206 C ILE A 13 -0.192 -10.081 0.946 1.00 10.55 C ATOM 207 O ILE A 13 0.367 -9.101 1.400 1.00 11.92 O ATOM 208 CB ILE A 13 -2.643 -9.706 0.420 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.626 -8.173 0.549 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.960 -10.361 0.717 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.670 -7.470 -0.290 1.00 16.46 C ATOM 0 H ILE A 13 -1.700 -9.181 3.043 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.738 -11.516 1.201 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.397 -9.820 -0.636 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.776 -7.906 1.595 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.640 -7.806 0.265 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.740 -9.900 0.112 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.899 -11.424 0.482 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.198 -10.236 1.773 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.591 -6.393 -0.142 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.509 -7.704 -1.342 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.663 -7.805 0.009 1.00 16.46 H new ATOM 223 N THR A 14 0.460 -10.865 0.061 1.00 9.39 N ATOM 224 CA THR A 14 1.894 -10.706 -0.253 1.00 9.63 C ATOM 225 C THR A 14 2.001 -10.142 -1.638 1.00 11.20 C ATOM 226 O THR A 14 1.353 -10.689 -2.567 1.00 11.63 O ATOM 227 CB THR A 14 2.649 -12.041 -0.224 1.00 10.38 C ATOM 228 OG1 THR A 14 2.668 -12.534 1.119 1.00 16.30 O ATOM 229 CG2 THR A 14 4.151 -11.809 -0.609 1.00 11.66 C ATOM 0 H THR A 14 0.009 -11.622 -0.453 1.00 9.39 H new ATOM 0 HA THR A 14 2.337 -10.052 0.499 1.00 9.63 H new ATOM 0 HB THR A 14 2.159 -12.729 -0.913 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.312 -12.019 1.648 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.683 -12.760 -0.587 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.208 -11.384 -1.611 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.607 -11.121 0.103 1.00 11.66 H new ATOM 237 N LEU A 15 2.836 -9.120 -1.840 1.00 8.29 N ATOM 238 CA LEU A 15 2.929 -8.406 -3.112 1.00 9.03 C ATOM 239 C LEU A 15 4.377 -8.393 -3.561 1.00 8.59 C ATOM 240 O LEU A 15 5.239 -8.103 -2.757 1.00 7.79 O ATOM 241 CB LEU A 15 2.513 -6.880 -3.064 1.00 11.08 C ATOM 242 CG LEU A 15 1.168 -6.551 -2.358 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.081 -5.007 -2.271 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.026 -7.088 -3.300 1.00 15.27 C ATOM 0 H LEU A 15 3.468 -8.765 -1.123 1.00 8.29 H new ATOM 0 HA LEU A 15 2.242 -8.935 -3.772 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.306 -6.326 -2.563 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.461 -6.508 -4.087 1.00 11.08 H new ATOM 0 HG LEU A 15 1.084 -6.994 -1.365 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.150 -4.722 -1.781 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.925 -4.627 -1.696 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.106 -4.584 -3.275 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.945 -6.882 -2.849 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.089 -6.591 -4.268 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.142 -8.163 -3.436 1.00 15.27 H new ATOM 256 N GLU A 16 4.570 -8.766 -4.855 1.00 11.04 N ATOM 257 CA GLU A 16 5.880 -8.815 -5.445 1.00 11.50 C ATOM 258 C GLU A 16 6.142 -7.556 -6.277 1.00 10.13 C ATOM 259 O GLU A 16 5.430 -7.235 -7.248 1.00 9.83 O ATOM 260 CB GLU A 16 6.026 -10.145 -6.262 1.00 17.22 C ATOM 261 CG GLU A 16 7.239 -10.323 -7.286 1.00 23.33 C ATOM 262 CD GLU A 16 8.649 -10.359 -6.695 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.998 -11.344 -6.079 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.403 -9.335 -6.785 1.00 28.90 O ATOM 0 H GLU A 16 3.815 -9.032 -5.487 1.00 11.04 H new ATOM 0 HA GLU A 16 6.647 -8.824 -4.670 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.086 -10.962 -5.543 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.103 -10.283 -6.825 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.081 -11.248 -7.841 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.195 -9.507 -8.008 1.00 23.33 H new ATOM 271 N VAL A 17 7.181 -6.788 -5.873 1.00 8.99 N ATOM 272 CA VAL A 17 7.403 -5.380 -6.228 1.00 8.85 C ATOM 273 C VAL A 17 8.892 -5.134 -6.396 1.00 8.04 C ATOM 274 O VAL A 17 9.717 -5.940 -5.970 1.00 8.99 O ATOM 275 CB VAL A 17 6.828 -4.325 -5.262 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.279 -4.376 -5.262 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.364 -4.599 -3.820 1.00 10.54 C ATOM 0 H VAL A 17 7.914 -7.155 -5.266 1.00 8.99 H new ATOM 0 HA VAL A 17 6.845 -5.243 -7.154 1.00 8.85 H new ATOM 0 HB VAL A 17 7.143 -3.335 -5.591 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.890 -3.625 -4.575 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.908 -4.175 -6.267 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.948 -5.365 -4.944 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.959 -3.855 -3.134 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.055 -5.594 -3.500 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.452 -4.540 -3.819 1.00 10.54 H new ATOM 287 N GLU A 18 9.286 -4.010 -6.930 1.00 7.29 N ATOM 288 CA GLU A 18 10.602 -3.476 -6.889 1.00 7.08 C ATOM 289 C GLU A 18 10.539 -2.174 -6.069 1.00 6.45 C ATOM 290 O GLU A 18 9.464 -1.501 -6.041 1.00 5.28 O ATOM 291 CB GLU A 18 11.075 -3.112 -8.339 1.00 10.28 C ATOM 292 CG GLU A 18 11.327 -4.394 -9.242 1.00 12.65 C ATOM 293 CD GLU A 18 12.395 -5.389 -8.755 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.444 -4.986 -8.215 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.207 -6.626 -8.947 1.00 18.17 O ATOM 0 H GLU A 18 8.641 -3.407 -7.440 1.00 7.29 H new ATOM 0 HA GLU A 18 11.290 -4.201 -6.454 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.324 -2.480 -8.814 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.993 -2.527 -8.281 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.383 -4.930 -9.341 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.608 -4.056 -10.240 1.00 12.65 H new ATOM 302 N PRO A 19 11.547 -1.827 -5.327 1.00 7.24 N ATOM 303 CA PRO A 19 11.588 -0.639 -4.446 1.00 7.07 C ATOM 304 C PRO A 19 11.333 0.702 -5.117 1.00 6.65 C ATOM 305 O PRO A 19 10.965 1.669 -4.476 1.00 6.37 O ATOM 306 CB PRO A 19 12.879 -0.696 -3.713 1.00 7.61 C ATOM 307 CG PRO A 19 13.797 -1.607 -4.535 1.00 8.16 C ATOM 308 CD PRO A 19 12.809 -2.522 -5.323 1.00 7.49 C ATOM 0 HA PRO A 19 10.740 -0.690 -3.763 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.311 0.299 -3.608 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.738 -1.091 -2.707 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.432 -1.032 -5.208 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.458 -2.191 -3.895 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.163 -2.695 -6.339 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.716 -3.498 -4.847 1.00 7.49 H new ATOM 316 N SER A 20 11.436 0.781 -6.425 1.00 6.80 N ATOM 317 CA SER A 20 11.277 1.981 -7.181 1.00 6.28 C ATOM 318 C SER A 20 9.882 1.981 -7.770 1.00 8.45 C ATOM 319 O SER A 20 9.628 2.863 -8.575 1.00 7.26 O ATOM 320 CB SER A 20 12.385 2.118 -8.342 1.00 8.57 C ATOM 321 OG SER A 20 12.417 0.971 -9.174 1.00 11.13 O ATOM 0 H SER A 20 11.642 -0.031 -7.007 1.00 6.80 H new ATOM 0 HA SER A 20 11.415 2.839 -6.523 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.172 3.000 -8.946 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.366 2.269 -7.892 1.00 8.57 H new ATOM 0 HG SER A 20 13.099 1.089 -9.868 1.00 11.13 H new ATOM 327 N ASP A 21 9.013 1.125 -7.349 1.00 7.50 N ATOM 328 CA ASP A 21 7.646 1.112 -7.837 1.00 7.70 C ATOM 329 C ASP A 21 6.955 2.158 -6.982 1.00 7.08 C ATOM 330 O ASP A 21 7.277 2.408 -5.798 1.00 8.11 O ATOM 331 CB ASP A 21 7.013 -0.279 -7.594 1.00 11.00 C ATOM 332 CG ASP A 21 7.489 -1.313 -8.608 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.874 -0.918 -9.723 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.325 -2.556 -8.356 1.00 18.03 O ATOM 0 H ASP A 21 9.216 0.406 -6.655 1.00 7.50 H new ATOM 0 HA ASP A 21 7.568 1.315 -8.905 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.260 -0.618 -6.588 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.927 -0.196 -7.644 1.00 11.00 H new ATOM 339 N THR A 22 5.955 2.869 -7.517 1.00 5.37 N ATOM 340 CA THR A 22 5.289 4.042 -6.813 1.00 6.01 C ATOM 341 C THR A 22 4.206 3.480 -5.944 1.00 8.01 C ATOM 342 O THR A 22 3.743 2.356 -6.079 1.00 8.11 O ATOM 343 CB THR A 22 4.622 5.079 -7.753 1.00 8.92 C ATOM 344 OG1 THR A 22 3.683 4.536 -8.712 1.00 10.22 O ATOM 345 CG2 THR A 22 5.760 5.731 -8.534 1.00 9.65 C ATOM 0 H THR A 22 5.566 2.674 -8.440 1.00 5.37 H new ATOM 0 HA THR A 22 6.077 4.568 -6.274 1.00 6.01 H new ATOM 0 HB THR A 22 4.042 5.758 -7.128 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.315 5.263 -9.257 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.352 6.476 -9.218 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.448 6.214 -7.840 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.294 4.970 -9.103 1.00 9.65 H new ATOM 353 N ILE A 23 3.828 4.322 -4.959 1.00 8.32 N ATOM 354 CA ILE A 23 2.735 4.008 -4.069 1.00 9.92 C ATOM 355 C ILE A 23 1.402 3.867 -4.790 1.00 10.01 C ATOM 356 O ILE A 23 0.598 3.025 -4.443 1.00 8.71 O ATOM 357 CB ILE A 23 2.609 5.104 -2.979 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.904 5.259 -2.235 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.432 4.935 -1.988 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.993 4.246 -1.049 1.00 12.30 C ATOM 0 H ILE A 23 4.276 5.220 -4.775 1.00 8.32 H new ATOM 0 HA ILE A 23 2.967 3.043 -3.619 1.00 9.92 H new ATOM 0 HB ILE A 23 2.375 6.014 -3.532 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.740 5.101 -2.916 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.990 6.277 -1.856 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.440 5.756 -1.271 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.490 4.942 -2.537 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.536 3.988 -1.458 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.940 4.379 -0.527 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.169 4.423 -0.357 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.931 3.228 -1.434 1.00 12.30 H new ATOM 372 N GLU A 24 1.154 4.670 -5.771 1.00 9.54 N ATOM 373 CA GLU A 24 0.084 4.579 -6.724 1.00 11.81 C ATOM 374 C GLU A 24 0.068 3.187 -7.377 1.00 11.14 C ATOM 375 O GLU A 24 -1.017 2.577 -7.432 1.00 10.62 O ATOM 376 CB GLU A 24 0.300 5.695 -7.829 1.00 19.24 C ATOM 377 CG GLU A 24 -0.890 5.754 -8.839 1.00 27.76 C ATOM 378 CD GLU A 24 -0.686 6.644 -10.008 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.394 6.772 -10.621 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.689 7.323 -10.417 1.00 34.80 O ATOM 0 H GLU A 24 1.746 5.482 -5.946 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.871 4.730 -6.222 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.415 6.666 -7.347 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.225 5.496 -8.370 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.088 4.745 -9.201 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.782 6.081 -8.305 1.00 27.76 H new ATOM 387 N ASN A 25 1.257 2.617 -7.807 1.00 9.43 N ATOM 388 CA ASN A 25 1.472 1.359 -8.416 1.00 10.96 C ATOM 389 C ASN A 25 1.169 0.138 -7.504 1.00 9.68 C ATOM 390 O ASN A 25 0.608 -0.887 -7.872 1.00 9.33 O ATOM 391 CB ASN A 25 2.884 1.299 -9.026 1.00 16.78 C ATOM 392 CG ASN A 25 3.036 0.058 -9.930 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.725 -0.925 -9.633 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.318 0.040 -11.055 1.00 24.70 N ATOM 0 H ASN A 25 2.136 3.123 -7.698 1.00 9.43 H new ATOM 0 HA ASN A 25 0.737 1.275 -9.217 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.074 2.202 -9.606 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.628 1.269 -8.230 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.341 -0.780 -11.661 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.747 0.846 -11.308 1.00 24.70 H new ATOM 401 N VAL A 26 1.448 0.335 -6.199 1.00 6.52 N ATOM 402 CA VAL A 26 1.218 -0.602 -5.163 1.00 5.53 C ATOM 403 C VAL A 26 -0.292 -0.769 -4.967 1.00 4.42 C ATOM 404 O VAL A 26 -0.749 -1.880 -4.969 1.00 3.40 O ATOM 405 CB VAL A 26 1.891 -0.263 -3.835 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.281 -1.061 -2.677 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.433 -0.651 -4.111 1.00 8.12 C ATOM 0 H VAL A 26 1.859 1.204 -5.858 1.00 6.52 H new ATOM 0 HA VAL A 26 1.679 -1.536 -5.484 1.00 5.53 H new ATOM 0 HB VAL A 26 1.767 0.777 -3.533 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.784 -0.795 -1.747 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.219 -0.829 -2.595 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.406 -2.127 -2.865 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.024 -0.449 -3.218 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.503 -1.710 -4.361 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.815 -0.056 -4.941 1.00 8.12 H new ATOM 417 N LYS A 27 -1.024 0.366 -4.926 1.00 2.64 N ATOM 418 CA LYS A 27 -2.448 0.308 -4.878 1.00 4.14 C ATOM 419 C LYS A 27 -3.050 -0.315 -6.093 1.00 5.58 C ATOM 420 O LYS A 27 -4.118 -1.014 -6.083 1.00 4.11 O ATOM 421 CB LYS A 27 -3.053 1.673 -4.442 1.00 3.97 C ATOM 422 CG LYS A 27 -2.462 2.237 -3.145 1.00 7.45 C ATOM 423 CD LYS A 27 -3.085 3.595 -2.765 1.00 9.02 C ATOM 424 CE LYS A 27 -2.601 4.724 -3.674 1.00 12.90 C ATOM 425 NZ LYS A 27 -2.804 6.024 -2.991 1.00 15.47 N ATOM 0 H LYS A 27 -0.632 1.307 -4.926 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.735 -0.388 -4.089 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.901 2.397 -5.242 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.130 1.557 -4.317 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.623 1.526 -2.335 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.384 2.352 -3.259 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.171 3.524 -2.823 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.836 3.831 -1.730 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.547 4.587 -3.914 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.147 4.706 -4.617 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.155 6.724 -3.675 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.498 5.909 -2.225 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -1.901 6.352 -2.593 1.00 15.47 H new ATOM 439 N ALA A 28 -2.361 -0.125 -7.255 1.00 6.61 N ATOM 440 CA ALA A 28 -2.843 -0.718 -8.491 1.00 7.74 C ATOM 441 C ALA A 28 -2.590 -2.236 -8.475 1.00 9.17 C ATOM 442 O ALA A 28 -3.417 -3.031 -8.965 1.00 11.45 O ATOM 443 CB ALA A 28 -2.152 -0.030 -9.679 1.00 7.68 C ATOM 0 H ALA A 28 -1.502 0.418 -7.340 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.918 -0.569 -8.591 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.508 -0.469 -10.611 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.384 1.035 -9.668 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.073 -0.167 -9.602 1.00 7.68 H new ATOM 449 N LYS A 29 -1.478 -2.721 -7.833 1.00 8.96 N ATOM 450 CA LYS A 29 -1.179 -4.118 -7.639 1.00 7.90 C ATOM 451 C LYS A 29 -2.031 -4.773 -6.577 1.00 6.92 C ATOM 452 O LYS A 29 -2.255 -5.981 -6.574 1.00 6.87 O ATOM 453 CB LYS A 29 0.295 -4.205 -7.400 1.00 10.28 C ATOM 454 CG LYS A 29 0.942 -5.601 -7.139 1.00 14.94 C ATOM 455 CD LYS A 29 2.437 -5.569 -7.363 1.00 19.69 C ATOM 456 CE LYS A 29 2.644 -5.924 -8.800 1.00 22.63 C ATOM 457 NZ LYS A 29 4.132 -5.888 -9.207 1.00 24.98 N ATOM 0 H LYS A 29 -0.767 -2.106 -7.438 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.439 -4.698 -8.524 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.794 -3.768 -8.265 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.527 -3.571 -6.544 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.733 -5.915 -6.116 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.490 -6.342 -7.798 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.844 -4.582 -7.142 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.945 -6.277 -6.709 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.243 -6.920 -8.987 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.082 -5.232 -9.427 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.312 -6.614 -9.930 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.364 -4.950 -9.592 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.725 -6.076 -8.373 1.00 24.98 H new ATOM 471 N ILE A 30 -2.595 -4.019 -5.621 1.00 4.57 N ATOM 472 CA ILE A 30 -3.648 -4.449 -4.697 1.00 5.58 C ATOM 473 C ILE A 30 -4.916 -4.650 -5.496 1.00 7.26 C ATOM 474 O ILE A 30 -5.556 -5.683 -5.415 1.00 9.46 O ATOM 475 CB ILE A 30 -3.865 -3.471 -3.470 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.534 -3.610 -2.667 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.116 -3.898 -2.569 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.618 -2.731 -1.405 1.00 2.00 C ATOM 0 H ILE A 30 -2.315 -3.050 -5.467 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.338 -5.386 -4.234 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.083 -2.451 -3.788 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.368 -4.651 -2.391 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.688 -3.305 -3.283 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.224 -3.198 -1.741 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.022 -3.886 -3.175 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.956 -4.902 -2.176 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.692 -2.821 -0.837 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.766 -1.691 -1.695 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.455 -3.058 -0.789 1.00 2.00 H new ATOM 490 N GLN A 31 -5.343 -3.714 -6.330 1.00 7.06 N ATOM 491 CA GLN A 31 -6.469 -3.822 -7.250 1.00 8.67 C ATOM 492 C GLN A 31 -6.421 -4.986 -8.197 1.00 10.90 C ATOM 493 O GLN A 31 -7.494 -5.642 -8.358 1.00 9.63 O ATOM 494 CB GLN A 31 -6.681 -2.473 -8.033 1.00 9.12 C ATOM 495 CG GLN A 31 -8.050 -2.278 -8.678 1.00 10.76 C ATOM 496 CD GLN A 31 -7.943 -1.038 -9.565 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.864 -0.588 -9.939 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.120 -0.612 -10.100 1.00 14.76 N ATOM 0 H GLN A 31 -4.886 -2.804 -6.387 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.329 -4.022 -6.611 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.505 -1.646 -7.345 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.922 -2.406 -8.812 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.329 -3.152 -9.266 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.821 -2.146 -7.919 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.002 -1.004 -9.770 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.120 0.099 -10.831 1.00 14.76 H new ATOM 507 N ASP A 32 -5.297 -5.236 -8.769 1.00 10.93 N ATOM 508 CA ASP A 32 -5.116 -6.401 -9.575 1.00 14.01 C ATOM 509 C ASP A 32 -5.347 -7.665 -8.779 1.00 14.04 C ATOM 510 O ASP A 32 -5.825 -8.676 -9.298 1.00 13.39 O ATOM 511 CB ASP A 32 -3.690 -6.332 -10.223 1.00 18.01 C ATOM 512 CG ASP A 32 -3.564 -7.285 -11.404 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.335 -7.144 -12.402 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.813 -8.274 -11.300 1.00 25.17 O ATOM 0 H ASP A 32 -4.472 -4.640 -8.694 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.858 -6.429 -10.373 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.489 -5.313 -10.554 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.937 -6.578 -9.474 1.00 18.01 H new ATOM 519 N LYS A 33 -4.895 -7.684 -7.464 1.00 14.22 N ATOM 520 CA LYS A 33 -4.931 -8.929 -6.625 1.00 14.00 C ATOM 521 C LYS A 33 -6.295 -9.133 -6.022 1.00 12.37 C ATOM 522 O LYS A 33 -6.890 -10.237 -6.171 1.00 12.17 O ATOM 523 CB LYS A 33 -3.922 -8.867 -5.467 1.00 18.62 C ATOM 524 CG LYS A 33 -3.734 -10.200 -4.733 1.00 24.00 C ATOM 525 CD LYS A 33 -2.780 -10.153 -3.508 1.00 27.61 C ATOM 526 CE LYS A 33 -2.282 -11.523 -3.037 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.659 -12.300 -4.101 1.00 30.06 N ATOM 0 H LYS A 33 -4.514 -6.868 -6.985 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.678 -9.752 -7.293 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.958 -8.539 -5.856 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.251 -8.113 -4.752 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.710 -10.553 -4.400 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.353 -10.936 -5.441 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.919 -9.534 -3.758 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.295 -9.664 -2.681 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.564 -11.384 -2.228 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.120 -12.086 -2.626 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.082 -13.058 -3.685 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.397 -12.717 -4.704 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.053 -11.679 -4.675 1.00 30.06 H new ATOM 541 N GLU A 34 -6.786 -8.171 -5.274 1.00 10.11 N ATOM 542 CA GLU A 34 -7.862 -8.334 -4.349 1.00 10.07 C ATOM 543 C GLU A 34 -9.091 -7.519 -4.805 1.00 9.32 C ATOM 544 O GLU A 34 -10.128 -7.701 -4.207 1.00 11.61 O ATOM 545 CB GLU A 34 -7.489 -7.767 -2.997 1.00 14.77 C ATOM 546 CG GLU A 34 -6.468 -8.627 -2.218 1.00 18.75 C ATOM 547 CD GLU A 34 -6.986 -10.021 -1.827 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.994 -10.172 -1.060 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.413 -10.991 -2.398 1.00 25.19 O ATOM 0 H GLU A 34 -6.425 -7.218 -5.302 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.076 -9.402 -4.297 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.077 -6.767 -3.134 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.393 -7.660 -2.397 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.570 -8.743 -2.824 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.176 -8.094 -1.314 1.00 18.75 H new ATOM 556 N GLY A 35 -8.963 -6.661 -5.880 1.00 7.22 N ATOM 557 CA GLY A 35 -10.136 -6.101 -6.563 1.00 6.29 C ATOM 558 C GLY A 35 -10.693 -4.806 -5.860 1.00 6.93 C ATOM 559 O GLY A 35 -11.828 -4.440 -6.166 1.00 7.41 O ATOM 0 H GLY A 35 -8.068 -6.362 -6.267 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.872 -5.864 -7.594 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.922 -6.855 -6.601 1.00 6.29 H new ATOM 563 N ILE A 36 -9.963 -4.193 -4.939 1.00 5.86 N ATOM 564 CA ILE A 36 -10.465 -3.022 -4.280 1.00 6.07 C ATOM 565 C ILE A 36 -10.056 -1.774 -5.138 1.00 6.36 C ATOM 566 O ILE A 36 -8.904 -1.673 -5.461 1.00 6.18 O ATOM 567 CB ILE A 36 -9.853 -2.878 -2.940 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.847 -4.240 -2.143 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.385 -1.687 -2.114 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.137 -4.077 -0.845 1.00 9.49 C ATOM 0 H ILE A 36 -9.034 -4.491 -4.642 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.547 -3.103 -4.173 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.811 -2.617 -3.126 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.871 -4.570 -1.966 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.361 -5.014 -2.736 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.881 -1.660 -1.148 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.193 -0.758 -2.650 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.458 -1.801 -1.960 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.141 -5.025 -0.307 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.108 -3.769 -1.029 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.641 -3.318 -0.247 1.00 9.49 H new ATOM 582 N PRO A 37 -10.875 -0.791 -5.476 1.00 8.65 N ATOM 583 CA PRO A 37 -10.431 0.450 -6.112 1.00 9.18 C ATOM 584 C PRO A 37 -9.444 1.241 -5.223 1.00 9.85 C ATOM 585 O PRO A 37 -9.590 1.498 -4.014 1.00 8.51 O ATOM 586 CB PRO A 37 -11.770 1.180 -6.315 1.00 11.42 C ATOM 587 CG PRO A 37 -12.840 0.108 -6.537 1.00 9.27 C ATOM 588 CD PRO A 37 -12.371 -0.914 -5.480 1.00 8.33 C ATOM 0 HA PRO A 37 -9.868 0.305 -7.034 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.011 1.790 -5.445 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.716 1.853 -7.171 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.850 0.474 -6.351 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.829 -0.296 -7.549 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.790 -0.691 -4.499 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.685 -1.925 -5.739 1.00 8.33 H new ATOM 596 N PRO A 38 -8.256 1.670 -5.772 1.00 8.71 N ATOM 597 CA PRO A 38 -7.325 2.575 -5.092 1.00 9.08 C ATOM 598 C PRO A 38 -7.918 3.844 -4.576 1.00 9.28 C ATOM 599 O PRO A 38 -7.536 4.291 -3.541 1.00 6.50 O ATOM 600 CB PRO A 38 -6.292 2.842 -6.185 1.00 10.31 C ATOM 601 CG PRO A 38 -6.421 1.676 -7.167 1.00 10.81 C ATOM 602 CD PRO A 38 -7.919 1.474 -7.155 1.00 12.00 C ATOM 0 HA PRO A 38 -6.934 2.128 -4.178 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.482 3.794 -6.680 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.286 2.895 -5.769 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.044 1.925 -8.159 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.880 0.790 -6.833 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.429 2.189 -7.801 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.196 0.478 -7.501 1.00 12.00 H new ATOM 610 N ASP A 39 -9.020 4.353 -5.151 1.00 11.20 N ATOM 611 CA ASP A 39 -9.740 5.482 -4.702 1.00 14.96 C ATOM 612 C ASP A 39 -10.416 5.197 -3.324 1.00 13.99 C ATOM 613 O ASP A 39 -10.709 6.091 -2.484 1.00 13.75 O ATOM 614 CB ASP A 39 -10.829 5.651 -5.797 1.00 24.16 C ATOM 615 CG ASP A 39 -10.273 6.049 -7.116 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.882 5.134 -7.857 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.176 7.292 -7.434 1.00 35.55 O ATOM 0 H ASP A 39 -9.429 3.939 -5.989 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.111 6.361 -4.561 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.374 4.713 -5.907 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.549 6.402 -5.472 1.00 24.16 H new ATOM 622 N GLN A 40 -10.498 3.887 -2.961 1.00 11.60 N ATOM 623 CA GLN A 40 -10.976 3.374 -1.632 1.00 10.76 C ATOM 624 C GLN A 40 -9.875 2.901 -0.740 1.00 8.01 C ATOM 625 O GLN A 40 -10.102 2.579 0.414 1.00 8.96 O ATOM 626 CB GLN A 40 -11.949 2.206 -1.846 1.00 11.14 C ATOM 627 CG GLN A 40 -13.204 2.631 -2.667 1.00 14.85 C ATOM 628 CD GLN A 40 -14.096 1.386 -2.964 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.956 0.391 -2.317 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.957 1.482 -3.989 1.00 18.16 N ATOM 0 H GLN A 40 -10.229 3.135 -3.595 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.460 4.219 -1.142 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.435 1.397 -2.364 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.264 1.816 -0.878 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.777 3.374 -2.112 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.895 3.099 -3.602 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.036 2.356 -4.508 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.532 0.681 -4.249 1.00 18.16 H new ATOM 639 N GLN A 41 -8.624 2.867 -1.230 1.00 6.52 N ATOM 640 CA GLN A 41 -7.485 2.262 -0.489 1.00 3.87 C ATOM 641 C GLN A 41 -6.658 3.378 0.197 1.00 4.79 C ATOM 642 O GLN A 41 -6.370 4.421 -0.371 1.00 6.34 O ATOM 643 CB GLN A 41 -6.481 1.458 -1.433 1.00 4.20 C ATOM 644 CG GLN A 41 -7.137 0.155 -2.002 1.00 3.20 C ATOM 645 CD GLN A 41 -6.100 -0.508 -2.946 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.885 -0.409 -2.657 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.564 -1.086 -4.073 1.00 7.13 N ATOM 0 H GLN A 41 -8.367 3.251 -2.139 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.926 1.570 0.229 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.167 2.097 -2.258 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.583 1.198 -0.872 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.409 -0.523 -1.193 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.054 0.391 -2.543 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.568 -1.133 -4.246 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.911 -1.476 -4.752 1.00 7.13 H new ATOM 656 N ARG A 42 -6.325 3.102 1.438 1.00 5.73 N ATOM 657 CA ARG A 42 -5.479 3.930 2.216 1.00 6.97 C ATOM 658 C ARG A 42 -4.347 3.126 2.692 1.00 7.15 C ATOM 659 O ARG A 42 -4.484 1.991 2.953 1.00 7.33 O ATOM 660 CB ARG A 42 -6.312 4.503 3.357 1.00 13.23 C ATOM 661 CG ARG A 42 -5.574 5.359 4.393 1.00 21.27 C ATOM 662 CD ARG A 42 -6.552 5.837 5.456 1.00 26.14 C ATOM 663 NE ARG A 42 -7.454 6.903 4.820 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.569 7.417 5.376 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.172 6.902 6.458 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.093 8.552 4.904 1.00 36.39 N ATOM 0 H ARG A 42 -6.652 2.271 1.932 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.070 4.761 1.641 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.110 5.107 2.925 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.788 3.673 3.880 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.775 4.779 4.855 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.106 6.214 3.905 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.149 5.004 5.828 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.016 6.251 6.310 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.187 7.252 3.899 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.788 6.072 6.909 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.015 7.340 6.829 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.649 9.032 4.121 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.937 8.939 5.327 1.00 36.39 H new ATOM 680 N LEU A 43 -3.163 3.719 2.828 1.00 4.65 N ATOM 681 CA LEU A 43 -1.960 2.967 3.251 1.00 3.51 C ATOM 682 C LEU A 43 -1.222 3.700 4.351 1.00 5.56 C ATOM 683 O LEU A 43 -0.902 4.904 4.256 1.00 4.19 O ATOM 684 CB LEU A 43 -1.000 2.768 2.056 1.00 3.74 C ATOM 685 CG LEU A 43 -1.456 1.724 1.021 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.542 1.696 -0.123 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.596 0.360 1.619 1.00 6.41 C ATOM 0 H LEU A 43 -3.000 4.711 2.655 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.292 1.998 3.624 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.870 3.725 1.551 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.023 2.474 2.440 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.444 2.026 0.673 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.882 0.951 -0.843 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.523 2.677 -0.597 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.461 1.439 0.219 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.920 -0.343 0.851 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.636 0.039 2.023 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.335 0.388 2.420 1.00 6.41 H new ATOM 699 N ILE A 44 -1.069 2.914 5.497 1.00 4.58 N ATOM 700 CA ILE A 44 -0.472 3.407 6.743 1.00 5.55 C ATOM 701 C ILE A 44 0.759 2.587 6.990 1.00 5.46 C ATOM 702 O ILE A 44 0.632 1.372 6.973 1.00 6.04 O ATOM 703 CB ILE A 44 -1.357 3.326 7.964 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.811 3.850 7.707 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.703 4.052 9.145 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.016 5.367 7.663 1.00 13.90 C ATOM 0 H ILE A 44 -1.364 1.939 5.545 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.277 4.470 6.602 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.461 2.270 8.212 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.156 3.436 6.759 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.457 3.445 8.486 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.352 3.985 10.018 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.257 3.588 9.371 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.548 5.100 8.887 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.067 5.587 7.478 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.717 5.802 8.616 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.410 5.793 6.863 1.00 13.90 H new ATOM 718 N PHE A 45 1.950 3.215 7.277 1.00 6.75 N ATOM 719 CA PHE A 45 3.249 2.592 7.467 1.00 4.70 C ATOM 720 C PHE A 45 4.063 3.602 8.321 1.00 6.34 C ATOM 721 O PHE A 45 3.994 4.829 8.056 1.00 5.45 O ATOM 722 CB PHE A 45 3.966 2.110 6.175 1.00 5.51 C ATOM 723 CG PHE A 45 5.437 1.885 6.353 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.890 0.704 6.855 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.456 2.832 5.937 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.295 0.402 6.951 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.786 2.611 6.171 1.00 6.64 C ATOM 728 CZ PHE A 45 8.241 1.407 6.676 1.00 6.84 C ATOM 0 H PHE A 45 1.998 4.228 7.382 1.00 6.75 H new ATOM 0 HA PHE A 45 3.135 1.637 7.979 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.503 1.183 5.837 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.813 2.848 5.388 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.173 -0.030 7.192 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.156 3.736 5.429 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.620 -0.589 7.232 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.497 3.395 5.956 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.293 1.242 6.855 1.00 6.84 H new ATOM 738 N ALA A 46 4.870 3.165 9.289 1.00 6.53 N ATOM 739 CA ALA A 46 5.812 4.015 10.101 1.00 7.15 C ATOM 740 C ALA A 46 5.065 5.170 10.725 1.00 9.00 C ATOM 741 O ALA A 46 5.635 6.283 10.787 1.00 11.15 O ATOM 742 CB ALA A 46 6.996 4.419 9.302 1.00 8.99 C ATOM 0 H ALA A 46 4.905 2.181 9.556 1.00 6.53 H new ATOM 0 HA ALA A 46 6.213 3.427 10.927 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.657 5.031 9.915 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.531 3.530 8.969 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.671 4.993 8.434 1.00 8.99 H new ATOM 748 N GLY A 47 3.795 5.085 11.193 1.00 9.35 N ATOM 749 CA GLY A 47 3.058 6.150 11.760 1.00 11.68 C ATOM 750 C GLY A 47 2.521 7.171 10.742 1.00 11.14 C ATOM 751 O GLY A 47 2.119 8.269 11.107 1.00 13.93 O ATOM 0 H GLY A 47 3.266 4.213 11.166 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.218 5.736 12.318 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.691 6.671 12.478 1.00 11.68 H new ATOM 755 N LYS A 48 2.561 6.900 9.438 1.00 10.47 N ATOM 756 CA LYS A 48 2.271 7.840 8.372 1.00 8.82 C ATOM 757 C LYS A 48 1.258 7.299 7.354 1.00 7.68 C ATOM 758 O LYS A 48 1.163 6.074 7.085 1.00 6.47 O ATOM 759 CB LYS A 48 3.514 8.257 7.555 1.00 9.74 C ATOM 760 CG LYS A 48 4.722 8.800 8.353 1.00 14.14 C ATOM 761 CD LYS A 48 5.867 9.065 7.340 1.00 16.32 C ATOM 762 CE LYS A 48 7.101 9.703 7.973 1.00 20.04 C ATOM 763 NZ LYS A 48 7.959 10.312 6.970 1.00 23.92 N ATOM 0 H LYS A 48 2.809 5.975 9.087 1.00 10.47 H new ATOM 0 HA LYS A 48 1.866 8.698 8.909 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.847 7.394 6.979 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.209 9.020 6.838 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.454 9.717 8.878 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.037 8.081 9.109 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.154 8.123 6.872 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.497 9.715 6.547 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.791 10.458 8.696 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.662 8.947 8.522 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.788 10.736 7.433 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.273 9.586 6.295 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.430 11.050 6.463 1.00 23.92 H new ATOM 777 N GLN A 49 0.452 8.281 6.849 1.00 8.89 N ATOM 778 CA GLN A 49 -0.444 8.018 5.670 1.00 7.18 C ATOM 779 C GLN A 49 0.402 8.386 4.436 1.00 8.23 C ATOM 780 O GLN A 49 1.153 9.365 4.392 1.00 9.70 O ATOM 781 CB GLN A 49 -1.818 8.716 5.769 1.00 11.67 C ATOM 782 CG GLN A 49 -2.960 8.300 4.839 1.00 15.82 C ATOM 783 CD GLN A 49 -4.240 9.146 5.168 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.703 9.015 6.321 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.856 9.816 4.207 1.00 20.67 N ATOM 0 H GLN A 49 0.400 9.230 7.221 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.752 6.974 5.613 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.172 8.590 6.792 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.651 9.783 5.619 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.669 8.451 3.799 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.173 7.238 4.960 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.430 9.890 3.283 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.757 10.258 4.390 1.00 20.67 H new ATOM 794 N LEU A 50 0.469 7.414 3.463 1.00 6.51 N ATOM 795 CA LEU A 50 1.444 7.539 2.395 1.00 7.41 C ATOM 796 C LEU A 50 0.953 8.276 1.209 1.00 8.27 C ATOM 797 O LEU A 50 -0.259 8.441 1.033 1.00 8.34 O ATOM 798 CB LEU A 50 1.918 6.164 1.922 1.00 7.13 C ATOM 799 CG LEU A 50 2.242 5.193 3.065 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.629 3.828 2.539 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.224 5.762 4.090 1.00 9.11 C ATOM 0 H LEU A 50 -0.123 6.585 3.421 1.00 6.51 H new ATOM 0 HA LEU A 50 2.260 8.112 2.836 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.148 5.722 1.290 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.806 6.290 1.302 1.00 7.13 H new ATOM 0 HG LEU A 50 1.321 5.055 3.631 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.852 3.166 3.375 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.804 3.415 1.958 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.510 3.919 1.904 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.407 5.022 4.869 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.164 6.008 3.596 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.802 6.662 4.537 1.00 9.11 H new ATOM 813 N GLU A 51 1.829 8.783 0.343 1.00 9.43 N ATOM 814 CA GLU A 51 1.478 9.649 -0.794 1.00 11.90 C ATOM 815 C GLU A 51 1.718 8.922 -2.087 1.00 11.49 C ATOM 816 O GLU A 51 2.750 8.294 -2.329 1.00 9.88 O ATOM 817 CB GLU A 51 2.339 10.954 -0.778 1.00 16.56 C ATOM 818 CG GLU A 51 2.061 11.774 0.532 1.00 26.06 C ATOM 819 CD GLU A 51 2.897 13.016 0.695 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.707 14.089 0.067 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.921 12.939 1.464 1.00 33.44 O ATOM 0 H GLU A 51 2.830 8.601 0.410 1.00 9.43 H new ATOM 0 HA GLU A 51 0.424 9.913 -0.708 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.397 10.700 -0.839 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.106 11.562 -1.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.009 12.058 0.549 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.230 11.125 1.391 1.00 26.06 H new ATOM 828 N ASP A 52 0.722 8.938 -3.022 1.00 12.71 N ATOM 829 CA ASP A 52 0.625 8.168 -4.272 1.00 16.56 C ATOM 830 C ASP A 52 1.848 8.306 -5.188 1.00 15.83 C ATOM 831 O ASP A 52 2.185 7.315 -5.810 1.00 17.21 O ATOM 832 CB ASP A 52 -0.526 8.742 -5.132 1.00 21.05 C ATOM 833 CG ASP A 52 -1.787 8.684 -4.362 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.963 9.402 -3.364 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.703 7.989 -4.833 1.00 25.82 O ATOM 0 H ASP A 52 -0.091 9.541 -2.899 1.00 12.71 H new ATOM 0 HA ASP A 52 0.500 7.133 -3.953 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.306 9.772 -5.414 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.624 8.172 -6.056 1.00 21.05 H new ATOM 840 N GLY A 53 2.415 9.541 -5.281 1.00 15.00 N ATOM 841 CA GLY A 53 3.433 9.934 -6.220 1.00 11.77 C ATOM 842 C GLY A 53 4.785 9.620 -5.869 1.00 11.10 C ATOM 843 O GLY A 53 5.716 9.854 -6.647 1.00 11.25 O ATOM 0 H GLY A 53 2.142 10.304 -4.662 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.212 9.464 -7.178 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.361 11.011 -6.369 1.00 11.77 H new ATOM 847 N ARG A 54 5.011 9.129 -4.622 1.00 8.53 N ATOM 848 CA ARG A 54 6.240 8.746 -4.063 1.00 9.05 C ATOM 849 C ARG A 54 6.509 7.255 -4.391 1.00 8.96 C ATOM 850 O ARG A 54 5.798 6.545 -5.057 1.00 11.60 O ATOM 851 CB ARG A 54 6.413 9.109 -2.571 1.00 7.97 C ATOM 852 CG ARG A 54 6.126 10.532 -2.200 1.00 9.62 C ATOM 853 CD ARG A 54 6.449 10.998 -0.813 1.00 12.20 C ATOM 854 NE ARG A 54 5.721 12.263 -0.618 1.00 18.23 N ATOM 855 CZ ARG A 54 6.245 13.475 -0.900 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.362 13.707 -1.594 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.632 14.542 -0.334 1.00 23.38 N ATOM 0 H ARG A 54 4.243 8.998 -3.964 1.00 8.53 H new ATOM 0 HA ARG A 54 7.020 9.346 -4.533 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.761 8.463 -1.983 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.437 8.878 -2.279 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.669 11.170 -2.897 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.064 10.708 -2.368 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.144 10.257 -0.074 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.522 11.145 -0.693 1.00 12.20 H new ATOM 0 HE ARG A 54 4.770 12.221 -0.250 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.903 12.926 -1.965 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.674 14.665 -1.753 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.820 14.404 0.268 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.982 15.484 -0.510 1.00 23.38 H new ATOM 871 N THR A 55 7.698 6.747 -4.026 1.00 9.05 N ATOM 872 CA THR A 55 8.054 5.329 -4.266 1.00 9.03 C ATOM 873 C THR A 55 8.432 4.697 -2.951 1.00 8.15 C ATOM 874 O THR A 55 8.667 5.319 -1.934 1.00 5.91 O ATOM 875 CB THR A 55 9.324 5.242 -5.063 1.00 11.15 C ATOM 876 OG1 THR A 55 10.473 5.892 -4.518 1.00 11.95 O ATOM 877 CG2 THR A 55 9.036 5.807 -6.423 1.00 11.71 C ATOM 0 H THR A 55 8.429 7.290 -3.566 1.00 9.05 H new ATOM 0 HA THR A 55 7.208 4.855 -4.764 1.00 9.03 H new ATOM 0 HB THR A 55 9.600 4.188 -5.070 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.220 6.778 -4.184 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.937 5.761 -7.034 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.245 5.226 -6.898 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.716 6.844 -6.326 1.00 11.71 H new ATOM 885 N LEU A 56 8.408 3.335 -2.881 1.00 6.91 N ATOM 886 CA LEU A 56 8.685 2.489 -1.797 1.00 8.29 C ATOM 887 C LEU A 56 10.004 2.693 -1.144 1.00 8.05 C ATOM 888 O LEU A 56 10.156 2.816 0.103 1.00 10.17 O ATOM 889 CB LEU A 56 8.567 1.027 -2.217 1.00 6.60 C ATOM 890 CG LEU A 56 7.125 0.616 -2.713 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.260 -0.888 -3.168 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.053 0.787 -1.702 1.00 8.64 C ATOM 0 H LEU A 56 8.159 2.790 -3.706 1.00 6.91 H new ATOM 0 HA LEU A 56 7.935 2.756 -1.052 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.284 0.829 -3.014 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.844 0.394 -1.374 1.00 6.60 H new ATOM 0 HG LEU A 56 6.810 1.276 -3.521 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.296 -1.247 -3.527 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.996 -0.961 -3.969 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.582 -1.496 -2.323 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.098 0.481 -2.129 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.274 0.172 -0.830 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.998 1.834 -1.404 1.00 8.64 H new ATOM 904 N SER A 57 11.053 2.977 -1.955 1.00 8.92 N ATOM 905 CA SER A 57 12.302 3.504 -1.501 1.00 9.00 C ATOM 906 C SER A 57 12.344 4.892 -0.811 1.00 9.44 C ATOM 907 O SER A 57 13.105 5.113 0.098 1.00 10.91 O ATOM 908 CB SER A 57 13.367 3.576 -2.640 1.00 10.32 C ATOM 909 OG SER A 57 12.980 4.366 -3.781 1.00 13.59 O ATOM 0 H SER A 57 11.022 2.831 -2.964 1.00 8.92 H new ATOM 0 HA SER A 57 12.513 2.767 -0.726 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.290 3.985 -2.229 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.588 2.563 -2.976 1.00 10.32 H new ATOM 0 HG SER A 57 12.058 4.677 -3.666 1.00 13.59 H new ATOM 915 N ASP A 58 11.371 5.751 -1.097 1.00 9.11 N ATOM 916 CA ASP A 58 11.375 7.051 -0.429 1.00 7.91 C ATOM 917 C ASP A 58 10.989 6.920 1.014 1.00 9.12 C ATOM 918 O ASP A 58 11.221 7.837 1.846 1.00 8.61 O ATOM 919 CB ASP A 58 10.430 8.044 -1.113 1.00 8.41 C ATOM 920 CG ASP A 58 10.891 8.394 -2.485 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.055 8.921 -2.625 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.070 8.239 -3.434 1.00 10.05 O ATOM 0 H ASP A 58 10.606 5.587 -1.751 1.00 9.11 H new ATOM 0 HA ASP A 58 12.394 7.433 -0.497 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.429 7.616 -1.165 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.359 8.950 -0.512 1.00 8.41 H new ATOM 927 N TYR A 59 10.358 5.743 1.442 1.00 7.97 N ATOM 928 CA TYR A 59 9.906 5.491 2.781 1.00 8.45 C ATOM 929 C TYR A 59 10.763 4.498 3.519 1.00 10.98 C ATOM 930 O TYR A 59 10.422 4.084 4.592 1.00 12.95 O ATOM 931 CB TYR A 59 8.417 4.925 2.660 1.00 7.94 C ATOM 932 CG TYR A 59 7.465 6.038 2.239 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.918 6.907 3.193 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.986 6.056 0.921 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.889 7.777 2.862 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.982 6.938 0.582 1.00 6.52 C ATOM 937 CZ TYR A 59 5.449 7.830 1.527 1.00 6.76 C ATOM 938 OH TYR A 59 4.452 8.738 1.183 1.00 7.63 O ATOM 0 H TYR A 59 10.173 4.964 0.809 1.00 7.97 H new ATOM 0 HA TYR A 59 9.959 6.417 3.353 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.386 4.115 1.932 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.100 4.507 3.615 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.304 6.899 4.202 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.399 5.387 0.180 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.434 8.402 3.616 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.599 6.943 -0.428 1.00 6.52 H new ATOM 0 HH TYR A 59 4.688 9.627 1.522 1.00 7.63 H new ATOM 948 N ASN A 60 11.873 4.049 2.951 1.00 12.38 N ATOM 949 CA ASN A 60 12.712 2.976 3.509 1.00 13.94 C ATOM 950 C ASN A 60 12.021 1.644 3.735 1.00 14.16 C ATOM 951 O ASN A 60 12.223 0.963 4.753 1.00 14.26 O ATOM 952 CB ASN A 60 13.497 3.472 4.675 1.00 19.23 C ATOM 953 CG ASN A 60 14.406 4.590 4.287 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.111 5.786 4.493 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.549 4.294 3.641 1.00 24.09 N ATOM 0 H ASN A 60 12.230 4.422 2.072 1.00 12.38 H new ATOM 0 HA ASN A 60 13.421 2.714 2.724 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.816 3.810 5.456 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.083 2.654 5.095 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.165 5.043 3.325 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.799 3.321 3.468 1.00 24.09 H new ATOM 962 N ILE A 61 11.205 1.203 2.763 1.00 11.08 N ATOM 963 CA ILE A 61 10.450 -0.048 2.770 1.00 11.78 C ATOM 964 C ILE A 61 11.272 -1.069 2.132 1.00 13.74 C ATOM 965 O ILE A 61 11.684 -0.959 0.978 1.00 14.60 O ATOM 966 CB ILE A 61 9.033 0.119 2.139 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.203 1.240 2.817 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.253 -1.198 2.141 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.902 1.797 2.116 1.00 11.42 C ATOM 0 H ILE A 61 11.051 1.741 1.911 1.00 11.08 H new ATOM 0 HA ILE A 61 10.242 -0.365 3.792 1.00 11.78 H new ATOM 0 HB ILE A 61 9.200 0.419 1.105 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.909 0.875 3.801 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.872 2.086 2.977 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.272 -1.040 1.694 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.799 -1.945 1.565 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.132 -1.548 3.166 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.458 2.574 2.738 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.163 2.216 1.144 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.186 0.986 1.981 1.00 11.42 H new ATOM 981 N GLN A 62 11.608 -2.123 2.895 1.00 13.97 N ATOM 982 CA GLN A 62 12.615 -3.062 2.555 1.00 15.52 C ATOM 983 C GLN A 62 11.945 -4.409 2.376 1.00 13.94 C ATOM 984 O GLN A 62 10.884 -4.585 2.940 1.00 12.15 O ATOM 985 CB GLN A 62 13.731 -3.218 3.611 1.00 19.53 C ATOM 986 CG GLN A 62 14.538 -1.922 3.803 1.00 26.38 C ATOM 987 CD GLN A 62 15.677 -2.085 4.892 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.576 -1.599 6.011 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.749 -2.858 4.553 1.00 32.71 N ATOM 0 H GLN A 62 11.155 -2.324 3.786 1.00 13.97 H new ATOM 0 HA GLN A 62 13.098 -2.693 1.650 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.289 -3.513 4.563 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.404 -4.021 3.310 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.985 -1.630 2.853 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.865 -1.117 4.100 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.816 -3.254 3.616 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.484 -3.039 5.237 1.00 32.71 H new ATOM 998 N LYS A 63 12.559 -5.370 1.637 1.00 11.73 N ATOM 999 CA LYS A 63 12.026 -6.717 1.436 1.00 11.97 C ATOM 1000 C LYS A 63 11.471 -7.440 2.673 1.00 10.41 C ATOM 1001 O LYS A 63 12.265 -7.710 3.615 1.00 9.59 O ATOM 1002 CB LYS A 63 13.161 -7.587 0.877 1.00 13.73 C ATOM 1003 CG LYS A 63 12.800 -9.047 0.458 1.00 16.98 C ATOM 1004 CD LYS A 63 13.443 -10.080 1.374 1.00 20.19 C ATOM 1005 CE LYS A 63 13.516 -11.505 0.680 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.967 -12.504 1.582 1.00 25.97 N ATOM 0 H LYS A 63 13.449 -5.215 1.164 1.00 11.73 H new ATOM 0 HA LYS A 63 11.173 -6.584 0.771 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.579 -7.079 0.008 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.950 -7.636 1.627 1.00 13.73 H new ATOM 0 HG2 LYS A 63 11.717 -9.172 0.475 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.125 -9.220 -0.568 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.447 -9.754 1.644 1.00 20.19 H new ATOM 0 HD3 LYS A 63 12.872 -10.153 2.299 1.00 20.19 H new ATOM 0 HE2 LYS A 63 12.531 -11.776 0.299 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.187 -11.459 -0.177 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.858 -13.441 1.145 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.969 -12.341 1.807 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.404 -12.462 2.456 1.00 25.97 H new ATOM 1020 N GLU A 64 10.131 -7.737 2.662 1.00 10.04 N ATOM 1021 CA GLU A 64 9.497 -8.532 3.695 1.00 10.94 C ATOM 1022 C GLU A 64 8.947 -7.695 4.835 1.00 9.74 C ATOM 1023 O GLU A 64 8.480 -8.219 5.868 1.00 9.42 O ATOM 1024 CB GLU A 64 10.257 -9.878 4.160 1.00 18.31 C ATOM 1025 CG GLU A 64 10.184 -10.945 3.004 1.00 24.16 C ATOM 1026 CD GLU A 64 10.794 -12.234 3.326 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.023 -12.403 3.585 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.025 -13.210 3.282 1.00 32.61 O ATOM 0 H GLU A 64 9.492 -7.422 1.932 1.00 10.04 H new ATOM 0 HA GLU A 64 8.634 -8.953 3.179 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.297 -9.657 4.401 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.797 -10.274 5.065 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.138 -11.108 2.743 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.673 -10.537 2.120 1.00 24.16 H new ATOM 1035 N SER A 65 8.991 -6.373 4.635 1.00 6.85 N ATOM 1036 CA SER A 65 8.494 -5.342 5.533 1.00 6.90 C ATOM 1037 C SER A 65 7.016 -5.210 5.350 1.00 4.72 C ATOM 1038 O SER A 65 6.442 -5.664 4.393 1.00 3.91 O ATOM 1039 CB SER A 65 9.208 -4.009 5.421 1.00 7.28 C ATOM 1040 OG SER A 65 8.935 -3.054 6.432 1.00 10.56 O ATOM 0 H SER A 65 9.401 -5.978 3.789 1.00 6.85 H new ATOM 0 HA SER A 65 8.714 -5.665 6.550 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.282 -4.198 5.412 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.954 -3.567 4.458 1.00 7.28 H new ATOM 0 HG SER A 65 9.450 -2.238 6.259 1.00 10.56 H new ATOM 1046 N THR A 66 6.354 -4.603 6.359 1.00 4.48 N ATOM 1047 CA THR A 66 4.910 -4.746 6.559 1.00 3.80 C ATOM 1048 C THR A 66 4.233 -3.428 6.371 1.00 4.60 C ATOM 1049 O THR A 66 4.639 -2.390 6.928 1.00 5.33 O ATOM 1050 CB THR A 66 4.478 -5.327 7.902 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.187 -6.547 8.117 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.002 -5.541 8.088 1.00 3.40 C ATOM 0 H THR A 66 6.809 -4.006 7.049 1.00 4.48 H new ATOM 0 HA THR A 66 4.607 -5.475 5.808 1.00 3.80 H new ATOM 0 HB THR A 66 4.726 -4.570 8.646 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.921 -6.932 8.978 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.817 -5.957 9.078 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.481 -4.588 7.991 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.636 -6.233 7.330 1.00 3.40 H new ATOM 1060 N LEU A 67 3.078 -3.415 5.705 1.00 4.17 N ATOM 1061 CA LEU A 67 2.356 -2.188 5.492 1.00 3.85 C ATOM 1062 C LEU A 67 0.953 -2.516 6.023 1.00 3.80 C ATOM 1063 O LEU A 67 0.508 -3.677 6.115 1.00 5.54 O ATOM 1064 CB LEU A 67 2.255 -1.759 4.060 1.00 7.18 C ATOM 1065 CG LEU A 67 3.598 -1.693 3.316 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.312 -1.087 1.961 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.666 -0.828 3.925 1.00 11.66 C ATOM 0 H LEU A 67 2.634 -4.244 5.310 1.00 4.17 H new ATOM 0 HA LEU A 67 2.866 -1.359 5.983 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.596 -2.449 3.533 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.784 -0.777 4.021 1.00 7.18 H new ATOM 0 HG LEU A 67 3.983 -2.713 3.324 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.238 -1.018 1.390 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.601 -1.715 1.424 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.890 -0.090 2.090 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.562 -0.867 3.306 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.311 0.201 3.985 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.900 -1.190 4.926 1.00 11.66 H new ATOM 1079 N HIS A 68 0.199 -1.452 6.446 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.198 -1.642 6.785 1.00 4.17 C ATOM 1081 C HIS A 68 -2.100 -1.195 5.684 1.00 5.32 C ATOM 1082 O HIS A 68 -1.878 -0.118 5.087 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.580 -0.906 8.116 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.592 -1.208 9.185 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.525 -0.468 9.528 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.608 -2.241 10.067 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.142 -1.050 10.598 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.493 -2.159 10.935 1.00 16.30 N ATOM 0 H HIS A 68 0.545 -0.498 6.549 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.335 -2.713 6.931 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.620 0.170 7.944 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.575 -1.215 8.436 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.839 0.380 9.056 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.360 -3.015 10.097 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.022 -0.668 11.094 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.192 -1.924 5.334 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.124 -1.474 4.341 1.00 3.97 C ATOM 1098 C LEU A 69 -5.488 -1.301 4.898 1.00 5.07 C ATOM 1099 O LEU A 69 -6.142 -2.227 5.365 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.242 -2.491 3.210 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.390 -2.394 2.196 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.394 -1.093 1.407 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.475 -3.602 1.172 1.00 9.96 C ATOM 0 H LEU A 69 -3.424 -2.828 5.745 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.741 -0.520 3.980 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.310 -2.456 2.646 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.300 -3.478 3.669 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.271 -2.432 2.837 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.232 -1.093 0.710 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.493 -0.252 2.093 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.460 -1.001 0.852 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.315 -3.447 0.495 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.551 -3.657 0.596 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.617 -4.534 1.719 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.867 -0.021 4.822 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.055 0.542 5.438 1.00 6.26 C ATOM 1117 C VAL A 70 -7.969 0.899 4.272 1.00 9.22 C ATOM 1118 O VAL A 70 -7.547 1.383 3.209 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.657 1.696 6.345 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.900 2.269 7.033 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.489 1.383 7.307 1.00 8.54 C ATOM 0 H VAL A 70 -5.326 0.673 4.306 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.592 -0.135 6.102 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.235 2.477 5.713 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.609 3.095 7.681 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.600 2.629 6.279 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.377 1.491 7.629 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.273 2.261 7.915 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.765 0.552 7.956 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.604 1.115 6.730 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.223 0.576 4.362 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.239 1.241 3.536 1.00 16.06 C ATOM 1133 C LEU A 71 -10.568 2.601 4.012 1.00 18.09 C ATOM 1134 O LEU A 71 -10.895 2.823 5.165 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.487 0.415 3.457 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.143 -0.920 2.720 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.418 -1.678 2.425 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.340 -0.738 1.373 1.00 19.57 C ATOM 0 H LEU A 71 -9.587 -0.139 4.991 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.804 1.341 2.541 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.871 0.210 4.456 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.267 0.955 2.921 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.491 -1.470 3.398 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.177 -2.609 1.911 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.933 -1.902 3.359 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.064 -1.070 1.792 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.145 -1.715 0.931 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.926 -0.136 0.679 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.394 -0.238 1.578 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.473 3.542 3.067 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.162 4.800 3.196 1.00 25.83 C ATOM 1152 C ARG A 72 -12.664 4.636 3.189 1.00 27.74 C ATOM 1153 O ARG A 72 -13.385 5.244 3.960 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.660 5.706 2.088 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.023 7.183 2.151 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.425 7.960 0.928 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.504 9.337 1.240 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.056 10.338 0.483 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.186 10.080 -0.507 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.398 11.595 0.655 1.00 35.02 N ATOM 0 H ARG A 72 -9.924 3.443 2.213 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.945 5.252 4.164 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.573 5.630 2.062 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.030 5.312 1.141 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.107 7.295 2.163 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.648 7.614 3.079 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.392 7.663 0.749 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.983 7.737 0.018 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.944 9.587 2.126 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.873 9.124 -0.675 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.838 10.840 -1.091 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.042 11.850 1.403 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.019 12.315 0.040 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.183 3.738 2.376 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.614 3.393 2.346 1.00 30.76 C ATOM 1176 C LEU A 73 -15.204 2.984 3.637 1.00 32.18 C ATOM 1177 O LEU A 73 -14.721 2.095 4.354 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.823 2.304 1.273 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.253 2.101 0.888 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.824 3.168 -0.034 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.368 0.828 0.078 1.00 29.11 C ATOM 0 H LEU A 73 -12.625 3.213 1.703 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.150 4.310 2.102 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.251 2.569 0.384 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.419 1.361 1.642 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.794 2.105 1.834 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.865 2.936 -0.258 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.766 4.140 0.455 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.250 3.193 -0.961 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.408 0.671 -0.208 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.754 0.911 -0.819 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.025 -0.016 0.676 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.330 3.652 4.069 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.024 3.326 5.272 1.00 35.33 C ATOM 1195 C ARG A 74 -17.565 1.854 5.171 1.00 36.22 C ATOM 1196 O ARG A 74 -17.421 1.054 6.109 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.060 4.485 5.547 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.556 4.637 7.038 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.215 3.444 7.695 1.00 39.75 C ATOM 1200 NE ARG A 74 -20.366 3.149 6.818 1.00 41.13 N ATOM 1201 CZ ARG A 74 -20.997 1.969 6.811 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -20.922 1.027 7.746 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -21.818 1.739 5.813 1.00 41.93 N ATOM 0 H ARG A 74 -16.746 4.429 3.556 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.399 3.294 6.164 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.609 5.428 5.238 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.931 4.324 4.911 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.698 4.922 7.647 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.261 5.468 7.072 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.533 2.596 7.759 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.535 3.673 8.711 1.00 39.75 H new ATOM 0 HE ARG A 74 -20.696 3.880 6.187 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -20.338 1.172 8.570 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -21.448 0.160 7.640 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -21.951 2.445 5.089 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -22.323 0.854 5.762 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.158 1.517 4.046 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.472 0.124 3.688 1.00 36.07 C ATOM 1219 C GLY A 75 -17.284 -0.756 3.516 1.00 36.16 C ATOM 1220 O GLY A 75 -16.148 -0.326 3.546 1.00 36.26 O ATOM 0 H GLY A 75 -18.443 2.196 3.340 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.113 -0.300 4.461 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.046 0.122 2.762 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.539 -2.038 3.201 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.399 -2.898 2.865 1.00 36.19 C ATOM 1226 C GLY A 76 -16.891 -4.315 2.685 1.00 36.20 C ATOM 1227 O GLY A 76 -16.160 -5.073 2.035 1.00 0.00 O ATOM 1228 OXT GLY A 76 -17.928 -4.671 3.332 1.00 0.00 O ATOM 0 H GLY A 76 -18.460 -2.476 3.173 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.918 -2.547 1.952 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.650 -2.857 3.656 1.00 36.19 H new TER 1232 GLY A 76