USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 137:sc= 0.959 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.803 USER MOD Set 2.1: A 7 THR OG1 : rot 111:sc= 0.386 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.108 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 179:sc=-0.00698 (180deg=-0.00975) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.21 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.012) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.33 (180deg=-0.166!) USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.118 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000613 USER MOD Single : A 25 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.248 (180deg=0.137) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.816 (180deg=0.816) USER MOD Single : A 31 GLN : amide:sc=-0.00148 X(o=-0.0015,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.0116 (180deg=-0.094) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 41 GLN : amide:sc= 1.19 K(o=1.2,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.00814 K(o=0.0081,f=-0.94) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.618 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+ 180:sc= 0 (180deg=0) 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 HD1:sc= -0.0327 X(o=-0.033,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.578 -6.932 -4.916 1.00 9.67 N ATOM 2 CA MET A 1 11.539 -7.551 -3.580 1.00 10.38 C ATOM 3 C MET A 1 10.168 -7.949 -3.093 1.00 9.62 C ATOM 4 O MET A 1 9.155 -7.660 -3.725 1.00 9.62 O ATOM 5 CB MET A 1 12.229 -6.573 -2.567 1.00 13.77 C ATOM 6 CG MET A 1 11.413 -5.250 -2.240 1.00 16.29 C ATOM 7 SD MET A 1 12.442 -3.894 -1.716 1.00 17.17 S ATOM 8 CE MET A 1 11.230 -2.528 -1.382 1.00 16.11 C ATOM 0 H1 MET A 1 12.384 -6.277 -4.972 1.00 9.67 H new ATOM 0 H2 MET A 1 11.683 -7.672 -5.639 1.00 9.67 H new ATOM 0 H3 MET A 1 10.695 -6.408 -5.082 1.00 9.67 H new ATOM 0 HA MET A 1 12.075 -8.497 -3.655 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.409 -7.109 -1.635 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.203 -6.290 -2.966 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.853 -4.950 -3.125 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.684 -5.466 -1.459 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.765 -1.644 -1.033 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.691 -2.288 -2.298 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.522 -2.849 -0.618 1.00 16.11 H new ATOM 20 N GLN A 2 10.000 -8.461 -1.845 1.00 9.27 N ATOM 21 CA GLN A 2 8.753 -8.908 -1.269 1.00 9.07 C ATOM 22 C GLN A 2 8.268 -7.826 -0.263 1.00 8.72 C ATOM 23 O GLN A 2 9.101 -7.193 0.361 1.00 8.22 O ATOM 24 CB GLN A 2 8.920 -10.266 -0.632 1.00 14.46 C ATOM 25 CG GLN A 2 7.659 -10.962 -0.130 1.00 17.01 C ATOM 26 CD GLN A 2 7.737 -12.468 -0.052 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.169 -13.032 0.962 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.266 -13.184 -1.054 1.00 19.49 N ATOM 0 H GLN A 2 10.784 -8.568 -1.201 1.00 9.27 H new ATOM 0 HA GLN A 2 7.992 -9.029 -2.040 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.402 -10.922 -1.357 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.606 -10.162 0.209 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.422 -10.576 0.861 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.830 -10.692 -0.784 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.910 -12.720 -1.890 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.258 -14.202 -0.994 1.00 19.49 H new ATOM 37 N ILE A 3 6.965 -7.606 -0.122 1.00 5.87 N ATOM 38 CA ILE A 3 6.374 -6.766 0.903 1.00 5.07 C ATOM 39 C ILE A 3 5.076 -7.518 1.259 1.00 4.01 C ATOM 40 O ILE A 3 4.646 -8.375 0.490 1.00 4.61 O ATOM 41 CB ILE A 3 6.111 -5.263 0.611 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.208 -5.059 -0.624 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.477 -4.485 0.660 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.669 -3.596 -0.674 1.00 10.83 C ATOM 0 H ILE A 3 6.271 -8.024 -0.742 1.00 5.87 H new ATOM 0 HA ILE A 3 7.103 -6.646 1.704 1.00 5.07 H new ATOM 0 HB ILE A 3 5.503 -4.805 1.391 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.770 -5.276 -1.532 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.373 -5.759 -0.591 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.302 -3.429 0.456 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.923 -4.595 1.649 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.155 -4.892 -0.091 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.035 -3.472 -1.552 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.088 -3.391 0.225 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.507 -2.901 -0.731 1.00 10.83 H new ATOM 56 N PHE A 4 4.500 -7.094 2.399 1.00 4.55 N ATOM 57 CA PHE A 4 3.357 -7.625 3.081 1.00 4.68 C ATOM 58 C PHE A 4 2.330 -6.489 3.262 1.00 5.30 C ATOM 59 O PHE A 4 2.652 -5.431 3.812 1.00 5.58 O ATOM 60 CB PHE A 4 3.612 -8.385 4.378 1.00 4.83 C ATOM 61 CG PHE A 4 4.541 -9.467 4.065 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.151 -10.525 3.287 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.842 -9.403 4.515 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.003 -11.623 3.024 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.718 -10.437 4.201 1.00 10.61 C ATOM 66 CZ PHE A 4 6.301 -11.558 3.433 1.00 8.90 C ATOM 0 H PHE A 4 4.880 -6.289 2.897 1.00 4.55 H new ATOM 0 HA PHE A 4 2.968 -8.417 2.441 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.032 -7.724 5.136 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.680 -8.782 4.782 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.159 -10.521 2.860 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.177 -8.562 5.103 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.632 -12.496 2.509 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.739 -10.387 4.549 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.999 -12.342 3.179 1.00 8.90 H new ATOM 76 N VAL A 5 1.043 -6.670 2.888 1.00 4.44 N ATOM 77 CA VAL A 5 -0.078 -5.813 3.197 1.00 3.87 C ATOM 78 C VAL A 5 -1.053 -6.628 4.135 1.00 4.93 C ATOM 79 O VAL A 5 -1.285 -7.835 4.016 1.00 6.84 O ATOM 80 CB VAL A 5 -0.804 -5.264 1.915 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.025 -4.345 2.285 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.164 -4.539 0.985 1.00 9.13 C ATOM 0 H VAL A 5 0.763 -7.475 2.328 1.00 4.44 H new ATOM 0 HA VAL A 5 0.278 -4.919 3.709 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.193 -6.129 1.378 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.500 -3.986 1.372 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.747 -4.916 2.869 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.676 -3.495 2.871 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.375 -4.174 0.111 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.613 -3.697 1.512 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.947 -5.227 0.667 1.00 9.13 H new ATOM 92 N LYS A 6 -1.578 -5.934 5.135 1.00 6.04 N ATOM 93 CA LYS A 6 -2.339 -6.605 6.223 1.00 6.12 C ATOM 94 C LYS A 6 -3.618 -5.883 6.340 1.00 6.57 C ATOM 95 O LYS A 6 -3.612 -4.691 6.621 1.00 5.76 O ATOM 96 CB LYS A 6 -1.622 -6.715 7.605 1.00 7.45 C ATOM 97 CG LYS A 6 -0.562 -7.788 7.562 1.00 11.12 C ATOM 98 CD LYS A 6 -0.014 -8.075 8.939 1.00 14.54 C ATOM 99 CE LYS A 6 0.810 -9.341 9.195 1.00 18.84 C ATOM 100 NZ LYS A 6 0.064 -10.546 9.108 1.00 20.55 N ATOM 0 H LYS A 6 -1.503 -4.921 5.231 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.463 -7.651 5.942 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.170 -5.758 7.865 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.350 -6.945 8.383 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.982 -8.700 7.138 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.249 -7.475 6.904 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.605 -7.224 9.224 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.861 -8.097 9.625 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.628 -9.380 8.476 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.259 -9.275 10.186 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.702 -11.359 9.226 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.658 -10.562 9.856 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.399 -10.601 8.178 1.00 20.55 H new ATOM 114 N THR A 7 -4.688 -6.647 6.156 1.00 7.41 N ATOM 115 CA THR A 7 -6.076 -6.147 6.258 1.00 7.48 C ATOM 116 C THR A 7 -6.528 -6.076 7.741 1.00 8.75 C ATOM 117 O THR A 7 -6.035 -6.785 8.615 1.00 8.58 O ATOM 118 CB THR A 7 -7.036 -6.856 5.276 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.574 -8.127 5.753 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.411 -6.996 3.868 1.00 9.17 C ATOM 0 H THR A 7 -4.629 -7.640 5.930 1.00 7.41 H new ATOM 0 HA THR A 7 -6.112 -5.114 5.912 1.00 7.48 H new ATOM 0 HB THR A 7 -7.900 -6.195 5.208 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.532 -8.030 5.933 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.115 -7.499 3.206 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.183 -6.007 3.471 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.494 -7.581 3.934 1.00 9.17 H new ATOM 128 N LEU A 8 -7.549 -5.246 7.988 1.00 9.84 N ATOM 129 CA LEU A 8 -8.171 -5.190 9.318 1.00 14.15 C ATOM 130 C LEU A 8 -8.861 -6.509 9.764 1.00 17.37 C ATOM 131 O LEU A 8 -8.991 -6.871 10.937 1.00 17.01 O ATOM 132 CB LEU A 8 -9.216 -3.989 9.255 1.00 16.63 C ATOM 133 CG LEU A 8 -8.604 -2.535 9.122 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.713 -1.470 8.841 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.718 -2.248 10.337 1.00 18.59 C ATOM 0 H LEU A 8 -7.957 -4.614 7.299 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.397 -5.038 10.070 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.882 -4.159 8.409 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.829 -4.021 10.155 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.956 -2.473 8.248 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.257 -0.484 8.756 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.225 -1.715 7.910 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.431 -1.468 9.661 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.294 -1.248 10.250 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.316 -2.311 11.246 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.912 -2.981 10.381 1.00 18.59 H new ATOM 147 N THR A 9 -9.274 -7.313 8.739 1.00 18.33 N ATOM 148 CA THR A 9 -10.013 -8.528 8.833 1.00 19.24 C ATOM 149 C THR A 9 -9.100 -9.719 8.647 1.00 19.48 C ATOM 150 O THR A 9 -9.547 -10.881 8.411 1.00 23.14 O ATOM 151 CB THR A 9 -11.107 -8.717 7.806 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.626 -8.499 6.515 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.213 -7.610 7.968 1.00 19.70 C ATOM 0 H THR A 9 -9.063 -7.076 7.770 1.00 18.33 H new ATOM 0 HA THR A 9 -10.467 -8.460 9.821 1.00 19.24 H new ATOM 0 HB THR A 9 -11.482 -9.730 7.954 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.352 -8.629 5.869 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.992 -7.762 7.221 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.649 -7.674 8.965 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.765 -6.626 7.831 1.00 19.70 H new ATOM 161 N GLY A 10 -7.783 -9.555 8.768 1.00 19.43 N ATOM 162 CA GLY A 10 -6.845 -10.689 9.038 1.00 18.74 C ATOM 163 C GLY A 10 -6.228 -11.301 7.810 1.00 17.62 C ATOM 164 O GLY A 10 -5.557 -12.315 7.892 1.00 19.74 O ATOM 0 H GLY A 10 -7.321 -8.649 8.686 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.047 -10.335 9.691 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.382 -11.465 9.583 1.00 18.74 H new ATOM 168 N LYS A 11 -6.470 -10.752 6.653 1.00 13.56 N ATOM 169 CA LYS A 11 -5.872 -11.219 5.399 1.00 11.91 C ATOM 170 C LYS A 11 -4.421 -10.654 5.380 1.00 10.18 C ATOM 171 O LYS A 11 -4.062 -9.531 5.764 1.00 9.10 O ATOM 172 CB LYS A 11 -6.696 -10.771 4.142 1.00 13.43 C ATOM 173 CG LYS A 11 -6.143 -11.362 2.871 1.00 16.69 C ATOM 174 CD LYS A 11 -7.196 -11.375 1.801 1.00 17.92 C ATOM 175 CE LYS A 11 -6.921 -12.475 0.774 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.917 -12.451 -0.354 1.00 21.93 N ATOM 0 H LYS A 11 -7.095 -9.955 6.535 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.870 -12.308 5.352 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.736 -11.075 4.262 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.688 -9.683 4.071 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.282 -10.782 2.537 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.791 -12.377 3.057 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.176 -11.531 2.252 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.225 -10.406 1.302 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.915 -12.354 0.373 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.953 -13.447 1.266 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.471 -12.819 -1.219 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.735 -13.044 -0.107 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.234 -11.474 -0.517 1.00 21.93 H new ATOM 190 N THR A 12 -3.453 -11.494 4.884 1.00 9.63 N ATOM 191 CA THR A 12 -2.082 -10.992 4.684 1.00 9.85 C ATOM 192 C THR A 12 -1.752 -11.203 3.249 1.00 11.66 C ATOM 193 O THR A 12 -1.755 -12.329 2.762 1.00 12.33 O ATOM 194 CB THR A 12 -1.027 -11.652 5.568 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.345 -11.463 6.953 1.00 10.91 O ATOM 196 CG2 THR A 12 0.352 -10.968 5.374 1.00 9.63 C ATOM 0 H THR A 12 -3.601 -12.471 4.631 1.00 9.63 H new ATOM 0 HA THR A 12 -2.062 -9.941 4.971 1.00 9.85 H new ATOM 0 HB THR A 12 -1.002 -12.706 5.293 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.006 -12.222 7.473 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.091 -11.452 6.012 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.659 -11.057 4.332 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.276 -9.914 5.641 1.00 9.63 H new ATOM 204 N ILE A 13 -1.556 -10.074 2.544 1.00 10.42 N ATOM 205 CA ILE A 13 -1.385 -10.070 1.085 1.00 11.84 C ATOM 206 C ILE A 13 0.039 -9.797 0.785 1.00 10.55 C ATOM 207 O ILE A 13 0.614 -8.815 1.152 1.00 11.92 O ATOM 208 CB ILE A 13 -2.331 -9.015 0.463 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.741 -9.289 0.971 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.264 -9.121 -1.078 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.714 -8.142 0.548 1.00 16.46 C ATOM 0 H ILE A 13 -1.512 -9.147 2.968 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.647 -11.035 0.651 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.037 -8.005 0.747 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.097 -10.240 0.574 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.730 -9.381 2.057 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.928 -8.380 -1.523 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.242 -8.939 -1.411 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.574 -10.119 -1.388 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.715 -8.358 0.921 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.367 -7.197 0.967 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.740 -8.069 -0.539 1.00 16.46 H new ATOM 223 N THR A 14 0.685 -10.775 0.130 1.00 9.39 N ATOM 224 CA THR A 14 2.120 -10.741 -0.307 1.00 9.63 C ATOM 225 C THR A 14 2.080 -10.026 -1.667 1.00 11.20 C ATOM 226 O THR A 14 1.349 -10.388 -2.572 1.00 11.63 O ATOM 227 CB THR A 14 2.772 -12.074 -0.523 1.00 10.38 C ATOM 228 OG1 THR A 14 2.668 -12.742 0.724 1.00 16.30 O ATOM 229 CG2 THR A 14 4.257 -11.816 -0.840 1.00 11.66 C ATOM 0 H THR A 14 0.221 -11.647 -0.126 1.00 9.39 H new ATOM 0 HA THR A 14 2.704 -10.265 0.480 1.00 9.63 H new ATOM 0 HB THR A 14 2.322 -12.652 -1.330 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.178 -12.251 1.402 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.765 -12.767 -1.004 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.336 -11.203 -1.738 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.723 -11.295 -0.003 1.00 11.66 H new ATOM 237 N LEU A 15 2.811 -8.853 -1.823 1.00 8.29 N ATOM 238 CA LEU A 15 3.069 -8.239 -3.123 1.00 9.03 C ATOM 239 C LEU A 15 4.563 -8.389 -3.450 1.00 8.59 C ATOM 240 O LEU A 15 5.443 -8.536 -2.653 1.00 7.79 O ATOM 241 CB LEU A 15 2.737 -6.753 -3.091 1.00 11.08 C ATOM 242 CG LEU A 15 1.342 -6.392 -2.669 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.165 -4.907 -2.704 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.278 -7.122 -3.459 1.00 15.27 C ATOM 0 H LEU A 15 3.217 -8.341 -1.040 1.00 8.29 H new ATOM 0 HA LEU A 15 2.449 -8.730 -3.873 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.437 -6.261 -2.416 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.911 -6.342 -4.086 1.00 11.08 H new ATOM 0 HG LEU A 15 1.208 -6.728 -1.641 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.150 -4.654 -2.396 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.877 -4.440 -2.024 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.338 -4.544 -3.717 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.708 -6.819 -3.108 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.378 -6.877 -4.516 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.397 -8.197 -3.323 1.00 15.27 H new ATOM 256 N GLU A 16 4.838 -8.398 -4.762 1.00 11.04 N ATOM 257 CA GLU A 16 6.223 -8.170 -5.312 1.00 11.50 C ATOM 258 C GLU A 16 6.279 -6.707 -5.837 1.00 10.13 C ATOM 259 O GLU A 16 5.283 -6.295 -6.386 1.00 9.83 O ATOM 260 CB GLU A 16 6.610 -9.092 -6.441 1.00 17.22 C ATOM 261 CG GLU A 16 8.109 -8.960 -6.883 1.00 23.33 C ATOM 262 CD GLU A 16 8.593 -9.904 -8.011 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.221 -9.785 -9.206 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.451 -10.726 -7.673 1.00 28.86 O ATOM 0 H GLU A 16 4.132 -8.559 -5.480 1.00 11.04 H new ATOM 0 HA GLU A 16 6.925 -8.370 -4.503 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.420 -10.122 -6.138 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.969 -8.889 -7.299 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.278 -7.932 -7.205 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.737 -9.128 -6.008 1.00 23.33 H new ATOM 271 N VAL A 17 7.405 -5.958 -5.511 1.00 8.99 N ATOM 272 CA VAL A 17 7.554 -4.575 -5.716 1.00 8.85 C ATOM 273 C VAL A 17 9.017 -4.305 -5.889 1.00 8.04 C ATOM 274 O VAL A 17 9.818 -5.063 -5.344 1.00 8.99 O ATOM 275 CB VAL A 17 7.008 -3.644 -4.570 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.509 -3.784 -4.425 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.699 -4.006 -3.212 1.00 10.54 C ATOM 0 H VAL A 17 8.229 -6.381 -5.085 1.00 8.99 H new ATOM 0 HA VAL A 17 6.950 -4.331 -6.590 1.00 8.85 H new ATOM 0 HB VAL A 17 7.237 -2.612 -4.835 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.158 -3.130 -3.627 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.025 -3.505 -5.361 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.262 -4.818 -4.182 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.316 -3.357 -2.424 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.487 -5.045 -2.961 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.776 -3.868 -3.304 1.00 10.54 H new ATOM 287 N GLU A 18 9.456 -3.224 -6.597 1.00 7.29 N ATOM 288 CA GLU A 18 10.811 -2.730 -6.475 1.00 7.08 C ATOM 289 C GLU A 18 10.809 -1.422 -5.650 1.00 6.45 C ATOM 290 O GLU A 18 9.748 -0.778 -5.511 1.00 5.28 O ATOM 291 CB GLU A 18 11.467 -2.500 -7.882 1.00 10.28 C ATOM 292 CG GLU A 18 10.851 -1.334 -8.649 1.00 12.65 C ATOM 293 CD GLU A 18 11.262 -1.266 -10.118 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.118 -2.295 -10.859 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.686 -0.168 -10.569 1.00 14.33 O ATOM 0 H GLU A 18 8.874 -2.698 -7.249 1.00 7.29 H new ATOM 0 HA GLU A 18 11.410 -3.481 -5.959 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.534 -2.318 -7.753 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.368 -3.409 -8.475 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.765 -1.408 -8.590 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.134 -0.402 -8.160 1.00 12.65 H new ATOM 302 N PRO A 19 11.911 -1.004 -5.036 1.00 7.24 N ATOM 303 CA PRO A 19 11.836 -0.002 -3.997 1.00 7.07 C ATOM 304 C PRO A 19 11.594 1.317 -4.616 1.00 6.65 C ATOM 305 O PRO A 19 11.239 2.288 -3.960 1.00 6.37 O ATOM 306 CB PRO A 19 13.241 0.025 -3.339 1.00 7.61 C ATOM 307 CG PRO A 19 14.152 -0.890 -4.260 1.00 8.16 C ATOM 308 CD PRO A 19 13.214 -1.711 -5.080 1.00 7.49 C ATOM 0 HA PRO A 19 11.042 -0.219 -3.283 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.631 1.041 -3.286 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.205 -0.356 -2.319 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.798 -0.284 -4.895 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.802 -1.525 -3.658 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.572 -1.807 -6.105 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.125 -2.720 -4.678 1.00 7.49 H new ATOM 316 N SER A 20 11.742 1.395 -5.958 1.00 6.80 N ATOM 317 CA SER A 20 11.479 2.636 -6.641 1.00 6.28 C ATOM 318 C SER A 20 9.986 2.664 -7.248 1.00 8.45 C ATOM 319 O SER A 20 9.510 3.710 -7.717 1.00 7.26 O ATOM 320 CB SER A 20 12.499 2.787 -7.761 1.00 8.57 C ATOM 321 OG SER A 20 13.852 2.997 -7.338 1.00 11.13 O ATOM 0 H SER A 20 12.035 0.623 -6.557 1.00 6.80 H new ATOM 0 HA SER A 20 11.561 3.461 -5.934 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.466 1.892 -8.383 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.200 3.624 -8.391 1.00 8.57 H new ATOM 0 HG SER A 20 14.431 3.080 -8.124 1.00 11.13 H new ATOM 327 N ASP A 21 9.158 1.552 -7.069 1.00 7.50 N ATOM 328 CA ASP A 21 7.693 1.700 -7.229 1.00 7.70 C ATOM 329 C ASP A 21 6.968 2.778 -6.330 1.00 7.08 C ATOM 330 O ASP A 21 7.390 3.102 -5.230 1.00 8.11 O ATOM 331 CB ASP A 21 6.979 0.340 -7.176 1.00 11.00 C ATOM 332 CG ASP A 21 7.411 -0.686 -8.246 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.674 -0.284 -9.384 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.446 -1.913 -8.022 1.00 18.03 O ATOM 0 H ASP A 21 9.480 0.614 -6.830 1.00 7.50 H new ATOM 0 HA ASP A 21 7.601 2.125 -8.229 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.144 -0.098 -6.192 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.907 0.509 -7.274 1.00 11.00 H new ATOM 339 N THR A 22 6.021 3.483 -6.913 1.00 5.37 N ATOM 340 CA THR A 22 5.117 4.426 -6.225 1.00 6.01 C ATOM 341 C THR A 22 3.985 3.772 -5.428 1.00 8.01 C ATOM 342 O THR A 22 3.612 2.629 -5.723 1.00 8.11 O ATOM 343 CB THR A 22 4.447 5.421 -7.156 1.00 8.92 C ATOM 344 OG1 THR A 22 3.710 4.710 -8.184 1.00 10.22 O ATOM 345 CG2 THR A 22 5.512 6.380 -7.940 1.00 9.65 C ATOM 0 H THR A 22 5.840 3.424 -7.915 1.00 5.37 H new ATOM 0 HA THR A 22 5.808 4.925 -5.546 1.00 6.01 H new ATOM 0 HB THR A 22 3.804 6.034 -6.524 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.278 5.355 -8.782 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.972 7.069 -8.590 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.094 6.947 -7.214 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.182 5.765 -8.541 1.00 9.65 H new ATOM 353 N ILE A 23 3.452 4.461 -4.441 1.00 8.32 N ATOM 354 CA ILE A 23 2.211 4.030 -3.739 1.00 9.92 C ATOM 355 C ILE A 23 1.056 3.740 -4.719 1.00 10.01 C ATOM 356 O ILE A 23 0.325 2.754 -4.596 1.00 8.71 O ATOM 357 CB ILE A 23 1.848 5.029 -2.718 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.987 5.191 -1.686 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.452 4.741 -2.081 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.364 3.917 -0.899 1.00 12.30 C ATOM 0 H ILE A 23 3.846 5.333 -4.087 1.00 8.32 H new ATOM 0 HA ILE A 23 2.408 3.083 -3.236 1.00 9.92 H new ATOM 0 HB ILE A 23 1.734 5.996 -3.207 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.875 5.551 -2.206 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.700 5.964 -0.974 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.228 5.503 -1.335 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.313 4.758 -2.858 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.464 3.760 -1.605 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.172 4.144 -0.204 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.496 3.563 -0.343 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.690 3.143 -1.594 1.00 12.30 H new ATOM 372 N GLU A 24 0.825 4.599 -5.735 1.00 9.54 N ATOM 373 CA GLU A 24 -0.015 4.339 -6.818 1.00 11.81 C ATOM 374 C GLU A 24 0.017 2.910 -7.416 1.00 11.14 C ATOM 375 O GLU A 24 -0.951 2.164 -7.595 1.00 10.62 O ATOM 376 CB GLU A 24 0.198 5.356 -7.944 1.00 19.24 C ATOM 377 CG GLU A 24 -0.990 5.607 -8.937 1.00 27.76 C ATOM 378 CD GLU A 24 -2.204 6.281 -8.456 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.118 5.625 -7.927 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.296 7.526 -8.669 1.00 34.80 O ATOM 0 H GLU A 24 1.260 5.520 -5.781 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.004 4.433 -6.371 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.461 6.311 -7.488 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.060 5.034 -8.528 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.601 6.191 -9.771 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.291 4.639 -9.338 1.00 27.76 H new ATOM 387 N ASN A 25 1.192 2.522 -7.776 1.00 9.43 N ATOM 388 CA ASN A 25 1.450 1.149 -8.375 1.00 10.96 C ATOM 389 C ASN A 25 1.239 0.006 -7.352 1.00 9.68 C ATOM 390 O ASN A 25 0.681 -1.043 -7.696 1.00 9.33 O ATOM 391 CB ASN A 25 2.901 1.188 -8.844 1.00 16.78 C ATOM 392 CG ASN A 25 3.236 0.086 -9.845 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.288 -0.680 -10.240 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.472 -0.123 -10.238 1.00 24.70 N ATOM 0 H ASN A 25 2.028 3.100 -7.687 1.00 9.43 H new ATOM 0 HA ASN A 25 0.751 0.942 -9.185 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.104 2.158 -9.299 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.559 1.098 -7.979 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.684 -0.901 -10.863 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.220 0.492 -9.918 1.00 24.70 H new ATOM 401 N VAL A 26 1.491 0.268 -6.064 1.00 6.52 N ATOM 402 CA VAL A 26 1.204 -0.633 -4.971 1.00 5.53 C ATOM 403 C VAL A 26 -0.285 -0.932 -4.787 1.00 4.42 C ATOM 404 O VAL A 26 -0.776 -2.041 -4.663 1.00 3.40 O ATOM 405 CB VAL A 26 1.824 -0.098 -3.700 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.477 -0.964 -2.514 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.366 -0.079 -3.811 1.00 8.12 C ATOM 0 H VAL A 26 1.914 1.144 -5.757 1.00 6.52 H new ATOM 0 HA VAL A 26 1.652 -1.594 -5.223 1.00 5.53 H new ATOM 0 HB VAL A 26 1.431 0.909 -3.561 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.938 -0.553 -1.616 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.395 -0.990 -2.387 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.848 -1.975 -2.681 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.793 0.309 -2.886 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.731 -1.092 -3.982 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.663 0.559 -4.643 1.00 8.12 H new ATOM 417 N LYS A 27 -1.080 0.163 -4.814 1.00 2.64 N ATOM 418 CA LYS A 27 -2.539 0.123 -4.805 1.00 4.14 C ATOM 419 C LYS A 27 -3.117 -0.550 -6.088 1.00 5.58 C ATOM 420 O LYS A 27 -4.072 -1.337 -6.010 1.00 4.11 O ATOM 421 CB LYS A 27 -3.209 1.506 -4.461 1.00 3.97 C ATOM 422 CG LYS A 27 -2.648 2.145 -3.155 1.00 7.45 C ATOM 423 CD LYS A 27 -3.642 3.226 -2.641 1.00 9.02 C ATOM 424 CE LYS A 27 -3.780 4.449 -3.564 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.507 5.614 -3.017 1.00 15.47 N ATOM 0 H LYS A 27 -0.706 1.112 -4.843 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.817 -0.524 -3.973 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.055 2.195 -5.292 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.285 1.367 -4.358 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.503 1.378 -2.395 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.673 2.593 -3.346 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.623 2.769 -2.513 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.317 3.563 -1.657 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.780 4.775 -3.849 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -4.284 4.131 -4.477 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.281 6.459 -3.579 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.531 5.435 -3.057 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.221 5.769 -2.029 1.00 15.47 H new ATOM 439 N ALA A 28 -2.525 -0.356 -7.328 1.00 6.61 N ATOM 440 CA ALA A 28 -2.908 -1.152 -8.497 1.00 7.74 C ATOM 441 C ALA A 28 -2.558 -2.683 -8.432 1.00 9.17 C ATOM 442 O ALA A 28 -3.290 -3.523 -8.880 1.00 11.45 O ATOM 443 CB ALA A 28 -2.311 -0.539 -9.761 1.00 7.68 C ATOM 0 H ALA A 28 -1.799 0.337 -7.510 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.997 -1.116 -8.511 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.600 -1.136 -10.626 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.682 0.479 -9.882 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.224 -0.522 -9.679 1.00 7.68 H new ATOM 449 N LYS A 29 -1.496 -3.044 -7.679 1.00 8.96 N ATOM 450 CA LYS A 29 -1.222 -4.413 -7.336 1.00 7.90 C ATOM 451 C LYS A 29 -2.250 -5.019 -6.424 1.00 6.92 C ATOM 452 O LYS A 29 -2.819 -6.100 -6.659 1.00 6.87 O ATOM 453 CB LYS A 29 0.146 -4.688 -6.799 1.00 10.28 C ATOM 454 CG LYS A 29 1.305 -4.363 -7.830 1.00 14.94 C ATOM 455 CD LYS A 29 2.663 -4.126 -7.202 1.00 19.69 C ATOM 456 CE LYS A 29 3.707 -3.938 -8.309 1.00 22.63 C ATOM 457 NZ LYS A 29 4.233 -5.239 -8.877 1.00 24.98 N ATOM 0 H LYS A 29 -0.820 -2.379 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.275 -4.901 -8.309 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.298 -4.098 -5.895 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.211 -5.737 -6.510 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.386 -5.189 -8.537 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.026 -3.479 -8.403 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.632 -3.244 -6.562 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.936 -4.970 -6.568 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.267 -3.351 -9.115 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.543 -3.360 -7.914 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.946 -5.036 -9.607 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.667 -5.800 -8.116 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.449 -5.776 -9.299 1.00 24.98 H new ATOM 471 N ILE A 30 -2.677 -4.309 -5.293 1.00 4.57 N ATOM 472 CA ILE A 30 -3.836 -4.720 -4.490 1.00 5.58 C ATOM 473 C ILE A 30 -5.134 -4.802 -5.248 1.00 7.26 C ATOM 474 O ILE A 30 -5.881 -5.755 -5.159 1.00 9.46 O ATOM 475 CB ILE A 30 -3.993 -3.943 -3.201 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.803 -4.175 -2.292 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.335 -4.313 -2.503 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.773 -5.550 -1.623 1.00 2.00 C ATOM 0 H ILE A 30 -2.216 -3.465 -4.952 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.590 -5.746 -4.214 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.025 -2.878 -3.432 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.889 -4.047 -2.872 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.799 -3.408 -1.517 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.432 -3.745 -1.578 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.167 -4.074 -3.165 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.346 -5.379 -2.278 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.888 -5.628 -0.992 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.667 -5.677 -1.012 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.743 -6.326 -2.388 1.00 2.00 H new ATOM 490 N GLN A 31 -5.342 -3.841 -6.146 1.00 7.06 N ATOM 491 CA GLN A 31 -6.448 -3.900 -7.087 1.00 8.67 C ATOM 492 C GLN A 31 -6.400 -5.111 -8.026 1.00 10.90 C ATOM 493 O GLN A 31 -7.414 -5.824 -8.154 1.00 9.63 O ATOM 494 CB GLN A 31 -6.579 -2.583 -7.876 1.00 9.12 C ATOM 495 CG GLN A 31 -7.625 -2.642 -8.978 1.00 10.76 C ATOM 496 CD GLN A 31 -7.903 -1.342 -9.766 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.006 -0.782 -9.566 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.008 -0.774 -10.657 1.00 14.76 N ATOM 0 H GLN A 31 -4.755 -3.012 -6.238 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.345 -4.034 -6.482 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.833 -1.778 -7.186 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.613 -2.333 -8.315 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.321 -3.409 -9.690 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.564 -2.974 -8.534 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.107 -1.220 -10.829 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.250 0.090 -11.142 1.00 14.76 H new ATOM 507 N ASP A 32 -5.252 -5.402 -8.635 1.00 10.93 N ATOM 508 CA ASP A 32 -5.080 -6.563 -9.482 1.00 14.01 C ATOM 509 C ASP A 32 -5.366 -7.867 -8.661 1.00 14.04 C ATOM 510 O ASP A 32 -6.139 -8.686 -9.092 1.00 13.39 O ATOM 511 CB ASP A 32 -3.538 -6.584 -9.996 1.00 18.01 C ATOM 512 CG ASP A 32 -3.420 -7.524 -11.111 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.932 -7.213 -12.230 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.733 -8.548 -10.928 1.00 26.29 O ATOM 0 H ASP A 32 -4.413 -4.829 -8.549 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.769 -6.517 -10.326 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.233 -5.586 -10.311 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.874 -6.879 -9.183 1.00 18.01 H new ATOM 519 N LYS A 33 -4.789 -8.043 -7.467 1.00 14.22 N ATOM 520 CA LYS A 33 -5.106 -9.147 -6.692 1.00 14.00 C ATOM 521 C LYS A 33 -6.545 -9.194 -6.122 1.00 12.37 C ATOM 522 O LYS A 33 -7.190 -10.224 -6.185 1.00 12.17 O ATOM 523 CB LYS A 33 -4.072 -9.240 -5.580 1.00 18.62 C ATOM 524 CG LYS A 33 -2.613 -9.502 -6.068 1.00 24.00 C ATOM 525 CD LYS A 33 -1.680 -10.155 -4.999 1.00 27.61 C ATOM 526 CE LYS A 33 -0.245 -10.337 -5.443 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.169 -11.111 -6.738 1.00 30.06 N ATOM 0 H LYS A 33 -4.104 -7.409 -7.055 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.080 -10.012 -7.354 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.088 -8.312 -5.008 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.362 -10.040 -4.898 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.647 -10.148 -6.945 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.174 -8.556 -6.386 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.693 -9.539 -4.100 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.088 -11.128 -4.725 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.226 -9.362 -5.571 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.314 -10.862 -4.669 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.825 -11.324 -6.957 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.701 -12.000 -6.643 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.579 -10.543 -7.507 1.00 30.06 H new ATOM 541 N GLU A 34 -7.040 -8.133 -5.503 1.00 10.11 N ATOM 542 CA GLU A 34 -8.212 -8.185 -4.656 1.00 10.07 C ATOM 543 C GLU A 34 -9.407 -7.364 -5.116 1.00 9.32 C ATOM 544 O GLU A 34 -10.540 -7.634 -4.699 1.00 11.61 O ATOM 545 CB GLU A 34 -7.740 -7.737 -3.293 1.00 14.77 C ATOM 546 CG GLU A 34 -6.577 -8.489 -2.550 1.00 18.75 C ATOM 547 CD GLU A 34 -7.046 -9.820 -1.995 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.139 -9.943 -1.313 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.306 -10.824 -2.228 1.00 25.19 O ATOM 0 H GLU A 34 -6.631 -7.202 -5.579 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.605 -9.202 -4.673 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.437 -6.694 -3.387 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.607 -7.758 -2.632 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.748 -8.652 -3.239 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.199 -7.867 -1.738 1.00 18.75 H new ATOM 556 N GLY A 35 -9.230 -6.367 -6.017 1.00 7.22 N ATOM 557 CA GLY A 35 -10.292 -5.626 -6.659 1.00 6.29 C ATOM 558 C GLY A 35 -10.727 -4.442 -5.873 1.00 6.93 C ATOM 559 O GLY A 35 -11.724 -3.808 -6.204 1.00 7.41 O ATOM 0 H GLY A 35 -8.303 -6.062 -6.313 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.957 -5.299 -7.643 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.146 -6.286 -6.816 1.00 6.29 H new ATOM 563 N ILE A 36 -10.045 -4.124 -4.804 1.00 5.86 N ATOM 564 CA ILE A 36 -10.263 -2.935 -4.020 1.00 6.07 C ATOM 565 C ILE A 36 -9.923 -1.634 -4.805 1.00 6.36 C ATOM 566 O ILE A 36 -8.729 -1.523 -5.255 1.00 6.18 O ATOM 567 CB ILE A 36 -9.558 -2.941 -2.663 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.642 -4.306 -1.865 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.243 -1.810 -1.803 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.103 -4.175 -0.438 1.00 9.49 C ATOM 0 H ILE A 36 -9.293 -4.709 -4.441 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.333 -2.943 -3.813 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.495 -2.783 -2.844 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.678 -4.642 -1.831 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.076 -5.071 -2.397 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.777 -1.769 -0.819 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.121 -0.849 -2.303 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.305 -2.030 -1.693 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.181 -5.136 0.070 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.058 -3.866 -0.471 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.685 -3.430 0.104 1.00 9.49 H new ATOM 582 N PRO A 37 -10.812 -0.642 -5.020 1.00 8.65 N ATOM 583 CA PRO A 37 -10.476 0.516 -5.885 1.00 9.18 C ATOM 584 C PRO A 37 -9.379 1.383 -5.271 1.00 9.85 C ATOM 585 O PRO A 37 -9.603 1.700 -4.064 1.00 8.51 O ATOM 586 CB PRO A 37 -11.866 1.187 -6.151 1.00 11.42 C ATOM 587 CG PRO A 37 -12.851 0.070 -5.929 1.00 9.27 C ATOM 588 CD PRO A 37 -12.256 -0.729 -4.737 1.00 8.33 C ATOM 0 HA PRO A 37 -10.013 0.263 -6.839 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.045 2.020 -5.471 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.932 1.583 -7.164 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.844 0.455 -5.695 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.952 -0.555 -6.817 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.514 -0.285 -3.776 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.609 -1.760 -4.717 1.00 8.33 H new ATOM 596 N PRO A 38 -8.229 1.729 -5.905 1.00 8.71 N ATOM 597 CA PRO A 38 -7.193 2.592 -5.360 1.00 9.08 C ATOM 598 C PRO A 38 -7.700 3.805 -4.610 1.00 9.28 C ATOM 599 O PRO A 38 -7.045 4.061 -3.647 1.00 6.50 O ATOM 600 CB PRO A 38 -6.291 2.925 -6.592 1.00 10.31 C ATOM 601 CG PRO A 38 -6.447 1.664 -7.488 1.00 10.81 C ATOM 602 CD PRO A 38 -7.919 1.419 -7.242 1.00 12.00 C ATOM 0 HA PRO A 38 -6.635 2.092 -4.568 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.624 3.828 -7.104 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.253 3.088 -6.301 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.216 1.855 -8.536 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.817 0.834 -7.169 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.518 2.031 -7.917 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.165 0.378 -7.452 1.00 12.00 H new ATOM 610 N ASP A 39 -8.807 4.541 -5.018 1.00 11.20 N ATOM 611 CA ASP A 39 -9.230 5.802 -4.297 1.00 14.96 C ATOM 612 C ASP A 39 -9.790 5.396 -2.923 1.00 13.99 C ATOM 613 O ASP A 39 -9.535 6.039 -1.911 1.00 13.75 O ATOM 614 CB ASP A 39 -10.105 6.623 -5.192 1.00 24.16 C ATOM 615 CG ASP A 39 -10.396 8.017 -4.624 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.411 8.762 -4.359 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.590 8.351 -4.390 1.00 35.55 O ATOM 0 H ASP A 39 -9.397 4.290 -5.811 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.405 6.479 -4.074 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.626 6.725 -6.166 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.046 6.098 -5.353 1.00 24.16 H new ATOM 622 N GLN A 40 -10.481 4.237 -2.749 1.00 11.60 N ATOM 623 CA GLN A 40 -10.918 3.716 -1.469 1.00 10.76 C ATOM 624 C GLN A 40 -9.628 3.398 -0.644 1.00 8.01 C ATOM 625 O GLN A 40 -9.530 3.768 0.524 1.00 8.96 O ATOM 626 CB GLN A 40 -11.819 2.422 -1.603 1.00 11.14 C ATOM 627 CG GLN A 40 -13.266 2.666 -2.149 1.00 14.85 C ATOM 628 CD GLN A 40 -14.245 2.896 -0.989 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.961 3.548 0.016 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.476 2.326 -1.049 1.00 18.16 N ATOM 0 H GLN A 40 -10.746 3.639 -3.531 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.544 4.459 -0.974 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.315 1.715 -2.262 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.893 1.948 -0.624 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.270 3.530 -2.813 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.588 1.809 -2.740 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.745 1.779 -1.867 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.131 2.445 -0.276 1.00 18.16 H new ATOM 639 N GLN A 41 -8.673 2.650 -1.244 1.00 6.52 N ATOM 640 CA GLN A 41 -7.486 2.126 -0.560 1.00 3.87 C ATOM 641 C GLN A 41 -6.599 3.243 0.006 1.00 4.79 C ATOM 642 O GLN A 41 -6.199 4.185 -0.714 1.00 6.34 O ATOM 643 CB GLN A 41 -6.624 1.329 -1.539 1.00 4.20 C ATOM 644 CG GLN A 41 -7.196 -0.041 -1.995 1.00 3.20 C ATOM 645 CD GLN A 41 -6.114 -0.690 -2.837 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.023 -0.964 -2.272 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.267 -0.851 -4.119 1.00 7.13 N ATOM 0 H GLN A 41 -8.714 2.395 -2.231 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.854 1.503 0.255 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.455 1.942 -2.424 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.651 1.158 -1.079 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.447 -0.664 -1.136 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.111 0.091 -2.572 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.159 -0.623 -4.559 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.495 -1.205 -4.684 1.00 7.13 H new ATOM 656 N ARG A 42 -6.146 3.113 1.236 1.00 5.73 N ATOM 657 CA ARG A 42 -5.208 3.984 1.935 1.00 6.97 C ATOM 658 C ARG A 42 -4.239 2.969 2.557 1.00 7.15 C ATOM 659 O ARG A 42 -4.619 1.798 2.872 1.00 7.33 O ATOM 660 CB ARG A 42 -5.736 4.853 3.086 1.00 13.23 C ATOM 661 CG ARG A 42 -6.522 6.141 2.537 1.00 21.27 C ATOM 662 CD ARG A 42 -5.626 7.160 1.866 1.00 26.14 C ATOM 663 NE ARG A 42 -6.466 8.278 1.273 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.583 9.461 1.860 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.238 9.636 3.141 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.168 10.405 1.158 1.00 36.39 N ATOM 0 H ARG A 42 -6.445 2.335 1.824 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.832 4.716 1.221 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.400 4.261 3.715 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.904 5.173 3.713 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.283 5.816 1.827 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.043 6.619 3.367 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -4.920 7.568 2.589 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.038 6.681 1.083 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.956 8.113 0.394 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.878 8.851 3.684 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.335 10.554 3.575 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.503 10.206 0.215 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.287 11.337 1.556 1.00 36.39 H new ATOM 680 N LEU A 43 -3.014 3.391 2.743 1.00 4.65 N ATOM 681 CA LEU A 43 -1.948 2.555 3.184 1.00 3.51 C ATOM 682 C LEU A 43 -1.054 3.284 4.173 1.00 5.56 C ATOM 683 O LEU A 43 -0.705 4.459 3.933 1.00 4.19 O ATOM 684 CB LEU A 43 -1.316 1.901 1.938 1.00 3.74 C ATOM 685 CG LEU A 43 -0.401 0.696 2.230 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.164 -0.573 2.705 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.523 0.289 1.043 1.00 6.41 C ATOM 0 H LEU A 43 -2.732 4.358 2.584 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.275 1.714 3.795 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.115 1.578 1.271 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.739 2.655 1.403 1.00 3.74 H new ATOM 0 HG LEU A 43 0.219 1.069 3.045 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.452 -1.378 2.890 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.706 -0.349 3.624 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.870 -0.883 1.934 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.133 -0.566 1.333 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.088 0.023 0.181 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.172 1.126 0.783 1.00 6.41 H new ATOM 699 N ILE A 44 -0.690 2.659 5.295 1.00 4.58 N ATOM 700 CA ILE A 44 0.003 3.182 6.473 1.00 5.55 C ATOM 701 C ILE A 44 1.370 2.433 6.549 1.00 5.46 C ATOM 702 O ILE A 44 1.371 1.175 6.463 1.00 6.04 O ATOM 703 CB ILE A 44 -0.836 3.046 7.764 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.911 4.179 7.689 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.036 3.149 9.030 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.788 4.294 8.932 1.00 13.90 C ATOM 0 H ILE A 44 -0.896 1.667 5.412 1.00 4.58 H new ATOM 0 HA ILE A 44 0.166 4.256 6.381 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.306 2.065 7.833 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.407 5.132 7.524 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.549 4.002 6.823 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.593 3.048 9.914 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.782 2.355 9.023 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.537 4.117 9.049 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.506 5.103 8.797 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.323 3.357 9.088 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.163 4.504 9.800 1.00 13.90 H new ATOM 718 N PHE A 45 2.450 3.127 6.916 1.00 6.75 N ATOM 719 CA PHE A 45 3.678 2.588 7.364 1.00 4.70 C ATOM 720 C PHE A 45 4.301 3.701 8.143 1.00 6.34 C ATOM 721 O PHE A 45 4.241 4.855 7.664 1.00 5.45 O ATOM 722 CB PHE A 45 4.632 1.964 6.309 1.00 5.51 C ATOM 723 CG PHE A 45 6.069 1.616 6.734 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.238 0.558 7.522 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.208 2.386 6.346 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.454 0.230 8.086 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.466 2.080 6.840 1.00 6.64 C ATOM 728 CZ PHE A 45 8.635 1.010 7.764 1.00 6.84 C ATOM 0 H PHE A 45 2.461 4.147 6.896 1.00 6.75 H new ATOM 0 HA PHE A 45 3.477 1.692 7.951 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.165 1.051 5.939 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.693 2.654 5.468 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.386 -0.072 7.730 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.088 3.213 5.662 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.527 -0.606 8.766 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.323 2.656 6.523 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.596 0.789 8.204 1.00 6.84 H new ATOM 738 N ALA A 46 4.891 3.392 9.280 1.00 6.53 N ATOM 739 CA ALA A 46 5.478 4.305 10.216 1.00 7.15 C ATOM 740 C ALA A 46 4.486 5.173 10.879 1.00 9.00 C ATOM 741 O ALA A 46 4.743 6.346 11.166 1.00 11.15 O ATOM 742 CB ALA A 46 6.651 5.071 9.602 1.00 8.99 C ATOM 0 H ALA A 46 4.974 2.423 9.588 1.00 6.53 H new ATOM 0 HA ALA A 46 5.898 3.703 11.022 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.068 5.752 10.343 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.419 4.366 9.284 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.302 5.641 8.741 1.00 8.99 H new ATOM 748 N GLY A 47 3.270 4.606 11.051 1.00 9.35 N ATOM 749 CA GLY A 47 2.133 5.279 11.765 1.00 11.68 C ATOM 750 C GLY A 47 1.565 6.469 11.037 1.00 11.14 C ATOM 751 O GLY A 47 0.937 7.285 11.665 1.00 13.93 O ATOM 0 H GLY A 47 3.038 3.675 10.705 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.337 4.551 11.925 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.475 5.599 12.749 1.00 11.68 H new ATOM 755 N LYS A 48 1.783 6.618 9.763 1.00 10.47 N ATOM 756 CA LYS A 48 1.271 7.636 8.910 1.00 8.82 C ATOM 757 C LYS A 48 0.813 7.029 7.607 1.00 7.68 C ATOM 758 O LYS A 48 1.203 5.945 7.170 1.00 6.47 O ATOM 759 CB LYS A 48 2.208 8.840 8.714 1.00 9.74 C ATOM 760 CG LYS A 48 3.539 8.802 8.034 1.00 14.14 C ATOM 761 CD LYS A 48 3.896 10.228 7.489 1.00 16.32 C ATOM 762 CE LYS A 48 5.303 10.415 6.943 1.00 20.04 C ATOM 763 NZ LYS A 48 5.640 11.682 6.294 1.00 23.92 N ATOM 0 H LYS A 48 2.380 5.966 9.254 1.00 10.47 H new ATOM 0 HA LYS A 48 0.409 8.070 9.418 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.623 9.588 8.179 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.396 9.236 9.712 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.306 8.467 8.733 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.519 8.084 7.214 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.188 10.478 6.699 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.744 10.948 8.293 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.000 10.270 7.768 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.488 9.616 6.225 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.630 11.657 5.976 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.017 11.829 5.474 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.513 12.463 6.969 1.00 23.92 H new ATOM 777 N GLN A 49 -0.134 7.665 6.895 1.00 8.89 N ATOM 778 CA GLN A 49 -0.568 7.350 5.561 1.00 7.18 C ATOM 779 C GLN A 49 0.428 7.727 4.474 1.00 8.23 C ATOM 780 O GLN A 49 1.243 8.665 4.561 1.00 9.70 O ATOM 781 CB GLN A 49 -1.933 7.938 5.230 1.00 11.67 C ATOM 782 CG GLN A 49 -2.987 7.608 6.280 1.00 15.82 C ATOM 783 CD GLN A 49 -4.415 8.118 5.870 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.235 7.332 5.358 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.638 9.415 6.146 1.00 20.67 N ATOM 0 H GLN A 49 -0.638 8.464 7.280 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.644 6.263 5.566 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.845 9.020 5.138 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.261 7.561 4.261 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.019 6.529 6.434 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.702 8.057 7.231 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.901 9.981 6.567 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.544 9.833 5.934 1.00 20.67 H new ATOM 794 N LEU A 50 0.481 6.929 3.421 1.00 6.51 N ATOM 795 CA LEU A 50 1.448 6.985 2.357 1.00 7.41 C ATOM 796 C LEU A 50 0.742 7.481 1.087 1.00 8.27 C ATOM 797 O LEU A 50 -0.280 6.934 0.683 1.00 8.34 O ATOM 798 CB LEU A 50 2.066 5.558 2.105 1.00 7.13 C ATOM 799 CG LEU A 50 2.629 4.815 3.325 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.863 3.336 2.975 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.990 5.327 3.925 1.00 9.11 C ATOM 0 H LEU A 50 -0.197 6.179 3.285 1.00 6.51 H new ATOM 0 HA LEU A 50 2.256 7.664 2.628 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.297 4.932 1.652 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.866 5.660 1.372 1.00 7.13 H new ATOM 0 HG LEU A 50 1.863 4.994 4.079 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.262 2.815 3.845 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.919 2.878 2.680 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.574 3.265 2.152 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.266 4.710 4.780 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.769 5.264 3.165 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.879 6.363 4.246 1.00 9.11 H new ATOM 813 N GLU A 51 1.255 8.554 0.457 1.00 9.43 N ATOM 814 CA GLU A 51 0.656 9.249 -0.672 1.00 11.90 C ATOM 815 C GLU A 51 0.942 8.688 -2.028 1.00 11.49 C ATOM 816 O GLU A 51 2.091 8.286 -2.230 1.00 9.88 O ATOM 817 CB GLU A 51 1.140 10.713 -0.525 1.00 16.56 C ATOM 818 CG GLU A 51 0.676 11.675 -1.668 1.00 26.06 C ATOM 819 CD GLU A 51 1.266 13.079 -1.401 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.826 13.657 -0.391 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.223 13.477 -2.088 1.00 33.44 O ATOM 0 H GLU A 51 2.141 8.971 0.743 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.428 9.140 -0.629 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.784 11.105 0.428 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.229 10.718 -0.484 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.011 11.302 -2.636 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.412 11.723 -1.704 1.00 26.06 H new ATOM 828 N ASP A 52 0.037 8.695 -3.012 1.00 12.71 N ATOM 829 CA ASP A 52 0.117 8.035 -4.289 1.00 16.56 C ATOM 830 C ASP A 52 1.285 8.344 -5.208 1.00 15.83 C ATOM 831 O ASP A 52 1.835 7.507 -5.932 1.00 17.21 O ATOM 832 CB ASP A 52 -1.339 8.275 -4.950 1.00 21.05 C ATOM 833 CG ASP A 52 -1.660 9.765 -4.926 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.154 10.255 -3.892 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.389 10.527 -5.879 1.00 28.37 O ATOM 0 H ASP A 52 -0.838 9.210 -2.912 1.00 12.71 H new ATOM 0 HA ASP A 52 0.359 6.985 -4.124 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.352 7.904 -5.975 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.098 7.718 -4.400 1.00 21.05 H new ATOM 840 N GLY A 53 1.748 9.622 -5.270 1.00 15.00 N ATOM 841 CA GLY A 53 2.818 10.086 -6.141 1.00 11.77 C ATOM 842 C GLY A 53 4.314 9.836 -5.660 1.00 11.10 C ATOM 843 O GLY A 53 5.227 10.291 -6.374 1.00 11.25 O ATOM 0 H GLY A 53 1.362 10.367 -4.689 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.692 9.608 -7.113 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.688 11.157 -6.293 1.00 11.77 H new ATOM 847 N ARG A 54 4.470 9.132 -4.469 1.00 8.53 N ATOM 848 CA ARG A 54 5.658 9.058 -3.727 1.00 9.05 C ATOM 849 C ARG A 54 6.062 7.578 -3.733 1.00 8.96 C ATOM 850 O ARG A 54 5.162 6.758 -4.054 1.00 11.60 O ATOM 851 CB ARG A 54 5.290 9.361 -2.242 1.00 7.97 C ATOM 852 CG ARG A 54 4.724 10.759 -1.957 1.00 9.62 C ATOM 853 CD ARG A 54 5.539 11.915 -2.527 1.00 12.20 C ATOM 854 NE ARG A 54 4.849 13.202 -2.239 1.00 18.23 N ATOM 855 CZ ARG A 54 5.409 14.271 -1.670 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.737 14.410 -1.600 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.579 15.144 -1.116 1.00 23.38 N ATOM 0 H ARG A 54 3.706 8.607 -4.044 1.00 8.53 H new ATOM 0 HA ARG A 54 6.423 9.728 -4.118 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.560 8.622 -1.912 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.183 9.222 -1.632 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.713 10.814 -2.360 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.644 10.889 -0.878 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.537 11.920 -2.089 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.663 11.790 -3.603 1.00 12.20 H new ATOM 0 HE ARG A 54 3.865 13.273 -2.499 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.346 13.689 -1.987 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.141 15.237 -1.160 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.573 14.978 -1.141 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.947 15.982 -0.665 1.00 23.38 H new ATOM 871 N THR A 55 7.306 7.238 -3.539 1.00 9.05 N ATOM 872 CA THR A 55 7.850 5.952 -3.655 1.00 9.03 C ATOM 873 C THR A 55 7.959 5.247 -2.326 1.00 8.15 C ATOM 874 O THR A 55 7.965 5.718 -1.201 1.00 5.91 O ATOM 875 CB THR A 55 9.127 5.779 -4.414 1.00 11.15 C ATOM 876 OG1 THR A 55 10.179 6.504 -3.809 1.00 11.95 O ATOM 877 CG2 THR A 55 8.997 6.208 -5.869 1.00 11.71 C ATOM 0 H THR A 55 8.009 7.928 -3.274 1.00 9.05 H new ATOM 0 HA THR A 55 7.099 5.485 -4.292 1.00 9.03 H new ATOM 0 HB THR A 55 9.355 4.713 -4.390 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.989 5.952 -3.792 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.950 6.063 -6.378 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.230 5.608 -6.358 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.718 7.261 -5.914 1.00 11.71 H new ATOM 885 N LEU A 56 8.072 3.900 -2.401 1.00 6.91 N ATOM 886 CA LEU A 56 8.513 3.014 -1.396 1.00 8.29 C ATOM 887 C LEU A 56 9.871 3.436 -0.800 1.00 8.05 C ATOM 888 O LEU A 56 10.066 3.496 0.412 1.00 10.17 O ATOM 889 CB LEU A 56 8.595 1.642 -2.021 1.00 6.60 C ATOM 890 CG LEU A 56 7.169 1.075 -2.362 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.172 -0.205 -3.248 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.235 0.746 -1.159 1.00 8.64 C ATOM 0 H LEU A 56 7.826 3.402 -3.257 1.00 6.91 H new ATOM 0 HA LEU A 56 7.811 3.022 -0.562 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.195 1.691 -2.930 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.104 0.961 -1.339 1.00 6.60 H new ATOM 0 HG LEU A 56 6.773 1.936 -2.900 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.146 -0.523 -3.431 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.660 0.011 -4.198 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.713 -1.001 -2.736 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.284 0.364 -1.530 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.707 -0.007 -0.527 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.060 1.650 -0.577 1.00 8.64 H new ATOM 904 N SER A 57 10.807 3.841 -1.620 1.00 8.92 N ATOM 905 CA SER A 57 12.126 4.413 -1.299 1.00 9.00 C ATOM 906 C SER A 57 12.136 5.681 -0.524 1.00 9.44 C ATOM 907 O SER A 57 12.787 5.769 0.479 1.00 10.91 O ATOM 908 CB SER A 57 13.161 4.480 -2.487 1.00 10.32 C ATOM 909 OG SER A 57 12.765 5.461 -3.469 1.00 13.59 O ATOM 0 H SER A 57 10.669 3.780 -2.629 1.00 8.92 H new ATOM 0 HA SER A 57 12.479 3.641 -0.615 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.149 4.728 -2.099 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.241 3.501 -2.959 1.00 10.32 H new ATOM 0 HG SER A 57 13.424 5.483 -4.194 1.00 13.59 H new ATOM 915 N ASP A 58 11.243 6.649 -0.859 1.00 9.11 N ATOM 916 CA ASP A 58 10.972 7.908 -0.241 1.00 7.91 C ATOM 917 C ASP A 58 10.479 7.717 1.159 1.00 9.12 C ATOM 918 O ASP A 58 10.828 8.490 2.080 1.00 8.61 O ATOM 919 CB ASP A 58 10.011 8.655 -1.233 1.00 8.41 C ATOM 920 CG ASP A 58 10.073 10.152 -1.034 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.009 10.731 -0.429 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.162 10.850 -1.597 1.00 11.70 O ATOM 0 H ASP A 58 10.640 6.517 -1.671 1.00 9.11 H new ATOM 0 HA ASP A 58 11.852 8.533 -0.090 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.283 8.411 -2.260 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.989 8.308 -1.083 1.00 8.41 H new ATOM 927 N TYR A 59 9.635 6.688 1.439 1.00 7.97 N ATOM 928 CA TYR A 59 9.049 6.407 2.734 1.00 8.45 C ATOM 929 C TYR A 59 9.867 5.490 3.539 1.00 10.98 C ATOM 930 O TYR A 59 9.580 5.115 4.681 1.00 12.95 O ATOM 931 CB TYR A 59 7.671 5.723 2.729 1.00 7.94 C ATOM 932 CG TYR A 59 6.631 6.733 2.264 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.322 7.881 3.041 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.900 6.608 1.085 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.466 8.862 2.621 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.906 7.581 0.670 1.00 6.52 C ATOM 937 CZ TYR A 59 4.759 8.703 1.471 1.00 6.76 C ATOM 938 OH TYR A 59 3.810 9.716 1.123 1.00 7.63 O ATOM 0 H TYR A 59 9.347 6.018 0.726 1.00 7.97 H new ATOM 0 HA TYR A 59 8.973 7.417 3.137 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.680 4.857 2.067 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.425 5.359 3.727 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.786 7.985 4.011 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.080 5.751 0.453 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.352 9.764 3.204 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.310 7.438 -0.219 1.00 6.52 H new ATOM 0 HH TYR A 59 4.110 10.580 1.474 1.00 7.63 H new ATOM 948 N ASN A 60 11.115 5.173 3.011 1.00 12.38 N ATOM 949 CA ASN A 60 12.136 4.360 3.632 1.00 13.94 C ATOM 950 C ASN A 60 11.814 2.918 3.870 1.00 14.16 C ATOM 951 O ASN A 60 12.384 2.213 4.683 1.00 14.26 O ATOM 952 CB ASN A 60 12.652 4.931 5.080 1.00 19.23 C ATOM 953 CG ASN A 60 12.879 6.495 4.985 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.644 6.921 4.156 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.180 7.217 5.850 1.00 24.09 N ATOM 0 H ASN A 60 11.405 5.516 2.095 1.00 12.38 H new ATOM 0 HA ASN A 60 12.902 4.427 2.859 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.917 4.706 5.853 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.579 4.436 5.368 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.265 8.233 5.852 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.557 6.756 6.514 1.00 24.09 H new ATOM 962 N ILE A 61 10.887 2.325 3.059 1.00 11.08 N ATOM 963 CA ILE A 61 10.477 0.934 3.193 1.00 11.78 C ATOM 964 C ILE A 61 11.520 -0.010 2.632 1.00 13.74 C ATOM 965 O ILE A 61 11.955 0.118 1.507 1.00 14.60 O ATOM 966 CB ILE A 61 9.120 0.737 2.527 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.065 1.569 3.283 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.706 -0.767 2.226 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.812 1.938 2.329 1.00 11.42 C ATOM 0 H ILE A 61 10.416 2.818 2.300 1.00 11.08 H new ATOM 0 HA ILE A 61 10.383 0.695 4.252 1.00 11.78 H new ATOM 0 HB ILE A 61 9.195 1.120 1.509 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.712 1.011 4.150 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.522 2.485 3.658 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.724 -0.786 1.753 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.440 -1.220 1.559 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.670 -1.328 3.160 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.086 2.525 2.892 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.163 2.518 1.475 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.341 1.021 1.976 1.00 11.42 H new ATOM 981 N GLN A 62 11.940 -1.059 3.364 1.00 13.97 N ATOM 982 CA GLN A 62 12.856 -2.104 2.890 1.00 15.52 C ATOM 983 C GLN A 62 12.327 -3.502 2.984 1.00 13.94 C ATOM 984 O GLN A 62 11.494 -3.815 3.807 1.00 12.15 O ATOM 985 CB GLN A 62 14.170 -2.122 3.716 1.00 19.53 C ATOM 986 CG GLN A 62 14.937 -0.795 3.790 1.00 26.38 C ATOM 987 CD GLN A 62 15.709 -0.616 2.481 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.376 0.033 1.505 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.927 -1.233 2.413 1.00 32.71 N ATOM 0 H GLN A 62 11.641 -1.203 4.328 1.00 13.97 H new ATOM 0 HA GLN A 62 13.005 -1.838 1.843 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.933 -2.439 4.732 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.831 -2.878 3.293 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.247 0.035 3.941 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.622 -0.798 4.638 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.261 -1.791 3.199 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.502 -1.136 1.576 1.00 32.71 H new ATOM 998 N LYS A 63 12.721 -4.377 2.001 1.00 11.73 N ATOM 999 CA LYS A 63 12.328 -5.750 1.766 1.00 11.97 C ATOM 1000 C LYS A 63 11.794 -6.565 2.955 1.00 10.41 C ATOM 1001 O LYS A 63 12.405 -6.725 4.019 1.00 9.59 O ATOM 1002 CB LYS A 63 13.376 -6.499 0.941 1.00 13.73 C ATOM 1003 CG LYS A 63 14.653 -6.812 1.627 1.00 16.98 C ATOM 1004 CD LYS A 63 15.639 -7.760 0.908 1.00 20.19 C ATOM 1005 CE LYS A 63 15.731 -7.644 -0.634 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.247 -8.847 -1.352 1.00 25.97 N ATOM 0 H LYS A 63 13.393 -4.074 1.296 1.00 11.73 H new ATOM 0 HA LYS A 63 11.419 -5.644 1.174 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.935 -7.434 0.596 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.601 -5.906 0.054 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.170 -5.872 1.819 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.415 -7.248 2.597 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.634 -7.590 1.320 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.363 -8.785 1.154 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.739 -7.413 -1.021 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.373 -6.797 -0.877 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.266 -8.659 -2.375 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.209 -9.062 -1.021 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.625 -9.659 -1.161 1.00 25.97 H new ATOM 1020 N GLU A 64 10.520 -7.060 2.842 1.00 10.04 N ATOM 1021 CA GLU A 64 9.733 -7.829 3.853 1.00 10.94 C ATOM 1022 C GLU A 64 9.292 -6.912 4.994 1.00 9.74 C ATOM 1023 O GLU A 64 9.077 -7.344 6.146 1.00 9.42 O ATOM 1024 CB GLU A 64 10.396 -9.231 4.381 1.00 18.31 C ATOM 1025 CG GLU A 64 10.481 -10.223 3.238 1.00 24.16 C ATOM 1026 CD GLU A 64 10.532 -11.674 3.597 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.774 -12.155 4.521 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.443 -12.402 3.019 1.00 32.61 O ATOM 0 H GLU A 64 9.985 -6.921 1.985 1.00 10.04 H new ATOM 0 HA GLU A 64 8.853 -8.183 3.316 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.390 -9.043 4.786 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.795 -9.646 5.190 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.620 -10.065 2.589 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.369 -9.988 2.652 1.00 24.16 H new ATOM 1035 N SER A 65 9.039 -5.610 4.608 1.00 6.85 N ATOM 1036 CA SER A 65 8.223 -4.783 5.463 1.00 6.90 C ATOM 1037 C SER A 65 6.741 -5.116 5.376 1.00 4.72 C ATOM 1038 O SER A 65 6.240 -5.480 4.311 1.00 3.91 O ATOM 1039 CB SER A 65 8.352 -3.283 5.088 1.00 7.28 C ATOM 1040 OG SER A 65 7.753 -2.297 6.010 1.00 10.56 O ATOM 0 H SER A 65 9.382 -5.167 3.756 1.00 6.85 H new ATOM 0 HA SER A 65 8.590 -4.980 6.470 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.412 -3.051 4.989 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.902 -3.142 4.105 1.00 7.28 H new ATOM 0 HG SER A 65 7.903 -1.392 5.664 1.00 10.56 H new ATOM 1046 N THR A 66 6.087 -4.931 6.532 1.00 4.48 N ATOM 1047 CA THR A 66 4.671 -5.058 6.675 1.00 3.80 C ATOM 1048 C THR A 66 3.952 -3.691 6.567 1.00 4.60 C ATOM 1049 O THR A 66 4.060 -2.881 7.478 1.00 5.33 O ATOM 1050 CB THR A 66 4.305 -5.702 8.022 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.633 -7.069 7.975 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.816 -5.707 8.303 1.00 3.40 C ATOM 0 H THR A 66 6.560 -4.684 7.401 1.00 4.48 H new ATOM 0 HA THR A 66 4.337 -5.698 5.858 1.00 3.80 H new ATOM 0 HB THR A 66 4.838 -5.123 8.776 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.405 -7.490 8.830 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.630 -6.176 9.269 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.445 -4.682 8.320 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.300 -6.267 7.523 1.00 3.40 H new ATOM 1060 N LEU A 67 3.168 -3.412 5.514 1.00 4.17 N ATOM 1061 CA LEU A 67 2.358 -2.255 5.355 1.00 3.85 C ATOM 1062 C LEU A 67 0.934 -2.492 5.876 1.00 3.80 C ATOM 1063 O LEU A 67 0.393 -3.597 5.947 1.00 5.54 O ATOM 1064 CB LEU A 67 2.341 -1.782 3.896 1.00 7.18 C ATOM 1065 CG LEU A 67 3.760 -1.712 3.241 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.666 -1.031 1.904 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.719 -0.897 4.036 1.00 11.66 C ATOM 0 H LEU A 67 3.098 -4.045 4.717 1.00 4.17 H new ATOM 0 HA LEU A 67 2.802 -1.461 5.956 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.714 -2.456 3.312 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.880 -0.796 3.848 1.00 7.18 H new ATOM 0 HG LEU A 67 4.111 -2.742 3.173 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.656 -0.983 1.450 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.995 -1.594 1.255 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.279 -0.021 2.037 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.687 -0.883 3.535 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.343 0.122 4.127 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.831 -1.332 5.029 1.00 11.66 H new ATOM 1079 N HIS A 68 0.238 -1.417 6.285 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.996 -1.515 6.997 1.00 4.17 C ATOM 1081 C HIS A 68 -2.064 -0.869 6.144 1.00 5.32 C ATOM 1082 O HIS A 68 -1.908 0.281 5.742 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.854 -0.795 8.387 1.00 5.57 C ATOM 1084 CG HIS A 68 0.232 -1.257 9.331 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.498 -0.967 9.019 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.235 -2.100 10.406 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.284 -1.543 9.978 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.560 -2.295 10.836 1.00 16.30 N ATOM 0 H HIS A 68 0.540 -0.458 6.117 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.266 -2.553 7.191 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.697 0.267 8.196 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.807 -0.888 8.907 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.641 -2.546 10.854 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.354 -1.413 10.042 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.895 -2.868 11.611 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.167 -1.684 5.774 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.184 -1.272 4.852 1.00 3.97 C ATOM 1098 C LEU A 69 -5.407 -0.821 5.549 1.00 5.07 C ATOM 1099 O LEU A 69 -6.004 -1.471 6.423 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.580 -2.371 3.843 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.629 -2.112 2.714 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.065 -1.335 1.555 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.291 -3.430 2.190 1.00 9.96 C ATOM 0 H LEU A 69 -3.310 -2.624 6.143 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.737 -0.444 4.302 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.662 -2.694 3.352 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.945 -3.217 4.425 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.400 -1.504 3.187 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.841 -1.187 0.804 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.710 -0.366 1.905 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.235 -1.888 1.115 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.011 -3.190 1.407 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.522 -4.088 1.786 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.802 -3.932 3.011 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.930 0.358 5.104 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.079 1.055 5.713 1.00 6.26 C ATOM 1117 C VAL A 70 -7.779 1.648 4.460 1.00 9.22 C ATOM 1118 O VAL A 70 -7.415 1.430 3.289 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.792 2.041 6.796 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.692 1.241 8.154 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.556 2.866 6.404 1.00 8.54 C ATOM 0 H VAL A 70 -5.550 0.851 4.296 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.698 0.377 6.301 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.582 2.779 6.937 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.482 1.933 8.969 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.635 0.730 8.345 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.889 0.507 8.086 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.338 3.590 7.189 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.701 2.202 6.275 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.751 3.392 5.470 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.864 2.403 4.692 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.767 2.903 3.679 1.00 16.06 C ATOM 1133 C LEU A 71 -10.137 4.380 3.939 1.00 18.09 C ATOM 1134 O LEU A 71 -10.288 4.830 5.059 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.084 2.104 3.645 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.981 0.560 3.166 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.346 -0.006 3.126 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.215 0.399 1.836 1.00 19.57 C ATOM 0 H LEU A 71 -9.135 2.686 5.634 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.240 2.800 2.730 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.520 2.123 4.644 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.779 2.621 2.984 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.387 -0.004 3.885 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.299 -1.047 2.805 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.791 0.048 4.119 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.955 0.563 2.424 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.177 -0.656 1.563 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.726 0.958 1.052 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.201 0.781 1.952 1.00 19.57 H new