USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 127:sc= 0.337 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.319 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.264 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.139 X(o=0.4,f=0.1) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.419 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.0147 (180deg=-0.0181) USER MOD Single : A 1 MET N :NH3+ 170:sc= 2.14 (180deg=1.88) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 THR OG1 : rot 95:sc= 0.0266 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00976 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.885 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 2.29 (180deg=2.29) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0.286 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -0.245 (180deg=-0.837) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.3 K(o=1.3,f=-3.5!) 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=-0.15) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= -0.0937 K(o=-0.094,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.6 K(o=0.6,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.217 -6.776 -4.586 1.00 9.67 N ATOM 2 CA MET A 1 11.180 -7.223 -3.118 1.00 10.38 C ATOM 3 C MET A 1 9.757 -7.482 -2.651 1.00 9.62 C ATOM 4 O MET A 1 8.792 -6.945 -3.200 1.00 9.62 O ATOM 5 CB MET A 1 11.957 -6.190 -2.220 1.00 13.77 C ATOM 6 CG MET A 1 11.255 -4.865 -2.135 1.00 16.29 C ATOM 7 SD MET A 1 12.389 -3.627 -1.387 1.00 17.17 S ATOM 8 CE MET A 1 11.128 -2.361 -1.285 1.00 16.11 C ATOM 0 H1 MET A 1 12.174 -6.446 -4.824 1.00 9.67 H new ATOM 0 H2 MET A 1 10.964 -7.577 -5.199 1.00 9.67 H new ATOM 0 H3 MET A 1 10.538 -6.001 -4.730 1.00 9.67 H new ATOM 0 HA MET A 1 11.695 -8.179 -3.021 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.075 -6.601 -1.217 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.959 -6.042 -2.624 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.946 -4.539 -3.128 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.350 -4.957 -1.534 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.558 -1.452 -0.866 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.740 -2.152 -2.282 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.316 -2.707 -0.645 1.00 16.11 H new ATOM 20 N GLN A 2 9.633 -8.380 -1.691 1.00 9.27 N ATOM 21 CA GLN A 2 8.319 -8.622 -1.048 1.00 9.07 C ATOM 22 C GLN A 2 7.884 -7.571 -0.016 1.00 8.72 C ATOM 23 O GLN A 2 8.559 -7.415 0.979 1.00 8.22 O ATOM 24 CB GLN A 2 8.195 -9.979 -0.345 1.00 14.46 C ATOM 25 CG GLN A 2 8.720 -11.211 -1.236 1.00 17.01 C ATOM 26 CD GLN A 2 8.509 -12.516 -0.554 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.248 -12.537 0.640 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.645 -13.595 -1.273 1.00 19.49 N ATOM 0 H GLN A 2 10.398 -8.952 -1.333 1.00 9.27 H new ATOM 0 HA GLN A 2 7.666 -8.575 -1.919 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.758 -9.949 0.588 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.151 -10.149 -0.082 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.201 -11.214 -2.194 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.781 -11.079 -1.449 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.863 -13.522 -2.267 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.533 -14.513 -0.842 1.00 19.49 H new ATOM 37 N ILE A 3 6.701 -6.989 -0.286 1.00 5.87 N ATOM 38 CA ILE A 3 6.058 -6.233 0.776 1.00 5.07 C ATOM 39 C ILE A 3 4.780 -6.873 1.147 1.00 4.01 C ATOM 40 O ILE A 3 4.134 -7.443 0.254 1.00 4.61 O ATOM 41 CB ILE A 3 6.004 -4.714 0.437 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.317 -4.379 -0.901 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.353 -4.086 0.400 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.538 -3.033 -0.926 1.00 10.83 C ATOM 0 H ILE A 3 6.205 -7.027 -1.176 1.00 5.87 H new ATOM 0 HA ILE A 3 6.656 -6.262 1.687 1.00 5.07 H new ATOM 0 HB ILE A 3 5.406 -4.308 1.253 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.074 -4.357 -1.685 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.626 -5.185 -1.148 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.255 -3.027 0.159 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.831 -4.194 1.373 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.962 -4.576 -0.360 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.092 -2.889 -1.910 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.753 -3.053 -0.171 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.223 -2.212 -0.715 1.00 10.83 H new ATOM 56 N PHE A 4 4.359 -6.869 2.427 1.00 4.55 N ATOM 57 CA PHE A 4 3.198 -7.462 2.964 1.00 4.68 C ATOM 58 C PHE A 4 2.225 -6.359 3.236 1.00 5.30 C ATOM 59 O PHE A 4 2.548 -5.324 3.846 1.00 5.58 O ATOM 60 CB PHE A 4 3.621 -8.206 4.204 1.00 4.83 C ATOM 61 CG PHE A 4 4.497 -9.351 3.795 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.893 -9.213 3.528 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.901 -10.592 3.625 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.611 -10.382 3.107 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.662 -11.732 3.332 1.00 9.10 C ATOM 66 CZ PHE A 4 5.975 -11.603 3.002 1.00 8.90 C ATOM 0 H PHE A 4 4.901 -6.396 3.150 1.00 4.55 H new ATOM 0 HA PHE A 4 2.712 -8.173 2.296 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.158 -7.541 4.880 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.747 -8.571 4.743 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.391 -8.261 3.639 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.829 -10.682 3.720 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.662 -10.306 2.869 1.00 10.61 H new ATOM 0 HE2 PHE A 4 4.207 -12.711 3.368 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.526 -12.464 2.654 1.00 8.90 H new ATOM 76 N VAL A 5 0.967 -6.553 2.832 1.00 4.44 N ATOM 77 CA VAL A 5 -0.098 -5.587 3.048 1.00 3.87 C ATOM 78 C VAL A 5 -1.192 -6.272 3.970 1.00 4.93 C ATOM 79 O VAL A 5 -1.949 -7.190 3.502 1.00 6.84 O ATOM 80 CB VAL A 5 -0.688 -4.949 1.821 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.907 -4.061 2.153 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.401 -4.208 1.011 1.00 9.13 C ATOM 0 H VAL A 5 0.663 -7.394 2.342 1.00 4.44 H new ATOM 0 HA VAL A 5 0.351 -4.724 3.540 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.075 -5.743 1.182 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.298 -3.622 1.235 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.681 -4.667 2.624 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.603 -3.266 2.834 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.048 -3.754 0.128 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.849 -3.431 1.630 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.171 -4.916 0.703 1.00 9.13 H new ATOM 92 N LYS A 6 -1.272 -5.841 5.236 1.00 6.04 N ATOM 93 CA LYS A 6 -2.101 -6.512 6.221 1.00 6.12 C ATOM 94 C LYS A 6 -3.326 -5.662 6.591 1.00 6.57 C ATOM 95 O LYS A 6 -3.466 -4.452 6.405 1.00 5.76 O ATOM 96 CB LYS A 6 -1.302 -6.832 7.527 1.00 7.45 C ATOM 97 CG LYS A 6 -0.368 -8.096 7.419 1.00 11.12 C ATOM 98 CD LYS A 6 0.317 -8.387 8.793 1.00 14.54 C ATOM 99 CE LYS A 6 1.432 -9.463 8.812 1.00 18.84 C ATOM 100 NZ LYS A 6 0.744 -10.788 8.728 1.00 20.55 N ATOM 0 H LYS A 6 -0.769 -5.029 5.593 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.428 -7.446 5.764 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.694 -5.966 7.789 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.008 -6.984 8.343 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.952 -8.962 7.106 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.391 -7.931 6.655 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.741 -7.454 9.164 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.456 -8.689 9.499 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.116 -9.327 7.975 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.025 -9.391 9.724 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.414 -11.506 8.385 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.398 -11.060 9.670 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.059 -10.721 8.070 1.00 20.55 H new ATOM 114 N THR A 7 -4.331 -6.344 7.179 1.00 7.41 N ATOM 115 CA THR A 7 -5.575 -5.704 7.583 1.00 7.48 C ATOM 116 C THR A 7 -6.112 -6.432 8.789 1.00 8.75 C ATOM 117 O THR A 7 -5.807 -7.582 9.045 1.00 8.58 O ATOM 118 CB THR A 7 -6.603 -5.388 6.455 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.614 -4.573 6.957 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.194 -6.650 5.770 1.00 9.17 C ATOM 0 H THR A 7 -4.293 -7.343 7.380 1.00 7.41 H new ATOM 0 HA THR A 7 -5.345 -4.678 7.870 1.00 7.48 H new ATOM 0 HB THR A 7 -6.058 -4.863 5.671 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.398 -3.635 6.775 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.900 -6.347 4.997 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.389 -7.230 5.319 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.708 -7.260 6.513 1.00 9.17 H new ATOM 128 N LEU A 8 -6.892 -5.760 9.637 1.00 9.84 N ATOM 129 CA LEU A 8 -7.348 -6.170 10.988 1.00 14.15 C ATOM 130 C LEU A 8 -8.087 -7.461 10.995 1.00 17.37 C ATOM 131 O LEU A 8 -8.071 -8.258 11.955 1.00 17.01 O ATOM 132 CB LEU A 8 -8.225 -4.992 11.602 1.00 16.63 C ATOM 133 CG LEU A 8 -7.682 -3.611 11.480 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.660 -2.584 12.088 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.331 -3.601 12.213 1.00 18.59 C ATOM 0 H LEU A 8 -7.256 -4.840 9.388 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.468 -6.347 11.606 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.204 -5.014 11.124 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.382 -5.202 12.660 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.551 -3.331 10.435 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.244 -1.582 11.988 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.614 -2.635 11.563 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.815 -2.809 13.143 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.891 -2.606 12.152 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.483 -3.867 13.259 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.660 -4.324 11.749 1.00 18.59 H new ATOM 147 N THR A 9 -8.830 -7.772 9.937 1.00 18.33 N ATOM 148 CA THR A 9 -9.653 -8.977 9.778 1.00 19.24 C ATOM 149 C THR A 9 -8.951 -10.209 9.268 1.00 19.48 C ATOM 150 O THR A 9 -9.496 -11.160 8.666 1.00 23.14 O ATOM 151 CB THR A 9 -10.821 -8.663 8.897 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.368 -8.111 7.625 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.809 -7.641 9.508 1.00 19.70 C ATOM 0 H THR A 9 -8.880 -7.161 9.122 1.00 18.33 H new ATOM 0 HA THR A 9 -9.957 -9.241 10.791 1.00 19.24 H new ATOM 0 HB THR A 9 -11.340 -9.613 8.769 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.144 -7.913 7.060 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.628 -7.465 8.811 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.207 -8.034 10.443 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.289 -6.703 9.701 1.00 19.70 H new ATOM 161 N GLY A 10 -7.653 -10.361 9.612 1.00 19.43 N ATOM 162 CA GLY A 10 -6.843 -11.546 9.416 1.00 18.74 C ATOM 163 C GLY A 10 -6.271 -11.731 8.043 1.00 17.62 C ATOM 164 O GLY A 10 -5.710 -12.785 7.731 1.00 19.74 O ATOM 0 H GLY A 10 -7.129 -9.608 10.058 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.020 -11.522 10.131 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.449 -12.420 9.657 1.00 18.74 H new ATOM 168 N LYS A 11 -6.263 -10.683 7.201 1.00 13.56 N ATOM 169 CA LYS A 11 -5.820 -10.777 5.811 1.00 11.91 C ATOM 170 C LYS A 11 -4.422 -10.203 5.669 1.00 10.18 C ATOM 171 O LYS A 11 -4.157 -9.043 5.969 1.00 9.10 O ATOM 172 CB LYS A 11 -6.724 -10.196 4.740 1.00 13.43 C ATOM 173 CG LYS A 11 -8.085 -10.861 4.726 1.00 16.69 C ATOM 174 CD LYS A 11 -9.087 -10.391 3.711 1.00 17.92 C ATOM 175 CE LYS A 11 -8.595 -10.237 2.268 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.735 -9.937 1.405 1.00 21.93 N ATOM 0 H LYS A 11 -6.566 -9.747 7.472 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.849 -11.849 5.614 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.845 -9.126 4.909 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.253 -10.314 3.764 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.933 -11.930 4.576 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.527 -10.738 5.714 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.923 -11.090 3.711 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.477 -9.428 4.041 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.856 -9.439 2.206 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.104 -11.153 1.938 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.409 -9.831 0.423 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.425 -10.713 1.459 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.184 -9.053 1.718 1.00 21.93 H new ATOM 190 N THR A 12 -3.473 -11.093 5.297 1.00 9.63 N ATOM 191 CA THR A 12 -2.181 -10.731 4.763 1.00 9.85 C ATOM 192 C THR A 12 -2.011 -11.092 3.326 1.00 11.66 C ATOM 193 O THR A 12 -2.046 -12.258 3.018 1.00 12.33 O ATOM 194 CB THR A 12 -1.025 -11.397 5.419 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.180 -11.239 6.820 1.00 10.91 O ATOM 196 CG2 THR A 12 0.333 -10.728 5.116 1.00 9.63 C ATOM 0 H THR A 12 -3.608 -12.101 5.370 1.00 9.63 H new ATOM 0 HA THR A 12 -2.177 -9.655 4.937 1.00 9.85 H new ATOM 0 HB THR A 12 -1.018 -12.425 5.056 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.078 -12.108 7.261 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.128 -11.270 5.629 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.516 -10.747 4.042 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.315 -9.695 5.463 1.00 9.63 H new ATOM 204 N ILE A 13 -1.740 -10.136 2.474 1.00 10.42 N ATOM 205 CA ILE A 13 -1.334 -10.367 1.045 1.00 11.84 C ATOM 206 C ILE A 13 0.120 -10.029 0.831 1.00 10.55 C ATOM 207 O ILE A 13 0.668 -9.312 1.660 1.00 11.92 O ATOM 208 CB ILE A 13 -2.265 -9.600 0.085 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.275 -8.118 0.412 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.643 -10.265 0.076 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.809 -7.390 -0.788 1.00 16.46 C ATOM 0 H ILE A 13 -1.786 -9.148 2.724 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.443 -11.428 0.820 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.892 -9.655 -0.938 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.897 -7.923 1.286 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.270 -7.773 0.653 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.303 -9.725 -0.602 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.546 -11.298 -0.258 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.062 -10.247 1.082 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.829 -6.319 -0.585 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.167 -7.584 -1.647 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.819 -7.737 -1.004 1.00 16.46 H new ATOM 223 N THR A 14 0.754 -10.613 -0.187 1.00 9.39 N ATOM 224 CA THR A 14 2.209 -10.425 -0.358 1.00 9.63 C ATOM 225 C THR A 14 2.340 -9.823 -1.749 1.00 11.20 C ATOM 226 O THR A 14 1.720 -10.353 -2.674 1.00 11.63 O ATOM 227 CB THR A 14 3.039 -11.703 -0.473 1.00 10.38 C ATOM 228 OG1 THR A 14 3.009 -12.476 0.698 1.00 16.30 O ATOM 229 CG2 THR A 14 4.524 -11.348 -0.610 1.00 11.66 C ATOM 0 H THR A 14 0.307 -11.203 -0.889 1.00 9.39 H new ATOM 0 HA THR A 14 2.561 -9.863 0.507 1.00 9.63 H new ATOM 0 HB THR A 14 2.620 -12.240 -1.324 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.587 -12.066 1.375 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.111 -12.263 -0.692 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.672 -10.741 -1.503 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.846 -10.787 0.267 1.00 11.66 H new ATOM 237 N LEU A 15 3.087 -8.715 -1.888 1.00 8.29 N ATOM 238 CA LEU A 15 3.273 -8.058 -3.155 1.00 9.03 C ATOM 239 C LEU A 15 4.763 -8.024 -3.492 1.00 8.59 C ATOM 240 O LEU A 15 5.566 -7.603 -2.668 1.00 7.79 O ATOM 241 CB LEU A 15 2.760 -6.582 -3.167 1.00 11.08 C ATOM 242 CG LEU A 15 1.233 -6.395 -2.947 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.010 -4.912 -2.874 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.382 -7.201 -3.913 1.00 15.27 C ATOM 0 H LEU A 15 3.572 -8.263 -1.113 1.00 8.29 H new ATOM 0 HA LEU A 15 2.695 -8.628 -3.883 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.290 -6.027 -2.393 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.028 -6.132 -4.123 1.00 11.08 H new ATOM 0 HG LEU A 15 0.881 -6.828 -2.010 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.050 -4.711 -2.719 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.583 -4.498 -2.044 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.335 -4.449 -3.806 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.673 -7.024 -3.704 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.605 -6.897 -4.936 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.602 -8.262 -3.794 1.00 15.27 H new ATOM 256 N GLU A 16 5.143 -8.447 -4.691 1.00 11.04 N ATOM 257 CA GLU A 16 6.489 -8.357 -5.109 1.00 11.50 C ATOM 258 C GLU A 16 6.654 -7.156 -6.051 1.00 10.13 C ATOM 259 O GLU A 16 6.180 -7.152 -7.189 1.00 9.83 O ATOM 260 CB GLU A 16 6.832 -9.631 -5.973 1.00 17.22 C ATOM 261 CG GLU A 16 8.351 -9.689 -6.379 1.00 23.33 C ATOM 262 CD GLU A 16 9.377 -10.090 -5.347 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.215 -11.250 -4.792 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.377 -9.371 -5.079 1.00 28.90 O ATOM 0 H GLU A 16 4.512 -8.856 -5.380 1.00 11.04 H new ATOM 0 HA GLU A 16 7.127 -8.266 -4.230 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.575 -10.528 -5.410 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.218 -9.632 -6.873 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.440 -10.382 -7.216 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.629 -8.703 -6.751 1.00 23.33 H new ATOM 271 N VAL A 17 7.395 -6.122 -5.666 1.00 8.99 N ATOM 272 CA VAL A 17 7.692 -4.875 -6.371 1.00 8.85 C ATOM 273 C VAL A 17 9.060 -4.360 -6.006 1.00 8.04 C ATOM 274 O VAL A 17 9.599 -4.644 -4.920 1.00 8.99 O ATOM 275 CB VAL A 17 6.734 -3.749 -5.920 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.353 -3.979 -6.557 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.537 -3.671 -4.431 1.00 10.54 C ATOM 0 H VAL A 17 7.852 -6.137 -4.754 1.00 8.99 H new ATOM 0 HA VAL A 17 7.603 -5.103 -7.433 1.00 8.85 H new ATOM 0 HB VAL A 17 7.196 -2.815 -6.241 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.671 -3.188 -6.243 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.447 -3.968 -7.643 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.961 -4.944 -6.237 1.00 12.05 H new ATOM 0 HG21 VAL A 17 5.852 -2.856 -4.197 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.120 -4.611 -4.069 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.496 -3.489 -3.946 1.00 10.54 H new ATOM 287 N GLU A 18 9.784 -3.708 -6.962 1.00 7.29 N ATOM 288 CA GLU A 18 11.029 -2.974 -6.757 1.00 7.08 C ATOM 289 C GLU A 18 10.886 -1.694 -5.916 1.00 6.45 C ATOM 290 O GLU A 18 9.819 -1.059 -5.918 1.00 5.28 O ATOM 291 CB GLU A 18 11.791 -2.585 -8.060 1.00 10.28 C ATOM 292 CG GLU A 18 12.094 -3.786 -8.939 1.00 12.65 C ATOM 293 CD GLU A 18 13.041 -4.779 -8.218 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.073 -4.373 -7.662 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.816 -6.000 -8.270 1.00 14.33 O ATOM 0 H GLU A 18 9.484 -3.691 -7.937 1.00 7.29 H new ATOM 0 HA GLU A 18 11.613 -3.713 -6.208 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.196 -1.867 -8.624 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.724 -2.088 -7.796 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.165 -4.291 -9.203 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.552 -3.453 -9.870 1.00 12.65 H new ATOM 302 N PRO A 19 11.923 -1.322 -5.185 1.00 7.24 N ATOM 303 CA PRO A 19 11.811 -0.020 -4.410 1.00 7.07 C ATOM 304 C PRO A 19 11.718 1.223 -5.259 1.00 6.65 C ATOM 305 O PRO A 19 11.458 2.308 -4.764 1.00 6.37 O ATOM 306 CB PRO A 19 13.050 -0.026 -3.505 1.00 7.61 C ATOM 307 CG PRO A 19 14.019 -0.882 -4.319 1.00 8.16 C ATOM 308 CD PRO A 19 13.211 -1.993 -4.944 1.00 7.49 C ATOM 0 HA PRO A 19 10.873 0.022 -3.857 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.436 0.978 -3.332 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.841 -0.460 -2.527 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.510 -0.284 -5.087 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.804 -1.288 -3.681 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.662 -2.358 -5.867 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.109 -2.850 -4.278 1.00 7.49 H new ATOM 316 N SER A 20 11.882 1.129 -6.609 1.00 6.80 N ATOM 317 CA SER A 20 11.777 2.239 -7.556 1.00 6.28 C ATOM 318 C SER A 20 10.428 2.419 -8.154 1.00 8.45 C ATOM 319 O SER A 20 10.211 3.316 -8.961 1.00 7.26 O ATOM 320 CB SER A 20 12.814 2.061 -8.629 1.00 8.57 C ATOM 321 OG SER A 20 12.772 0.769 -9.337 1.00 11.13 O ATOM 0 H SER A 20 12.097 0.243 -7.066 1.00 6.80 H new ATOM 0 HA SER A 20 11.953 3.153 -6.989 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.698 2.861 -9.360 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.801 2.179 -8.181 1.00 8.57 H new ATOM 0 HG SER A 20 13.479 0.744 -10.015 1.00 11.13 H new ATOM 327 N ASP A 21 9.482 1.534 -7.757 1.00 7.50 N ATOM 328 CA ASP A 21 8.103 1.663 -8.164 1.00 7.70 C ATOM 329 C ASP A 21 7.360 2.581 -7.258 1.00 7.08 C ATOM 330 O ASP A 21 7.857 2.789 -6.081 1.00 8.11 O ATOM 331 CB ASP A 21 7.392 0.333 -8.394 1.00 11.00 C ATOM 332 CG ASP A 21 7.747 -0.222 -9.734 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.169 0.178 -10.759 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.624 -1.135 -9.817 1.00 18.03 O ATOM 0 H ASP A 21 9.670 0.731 -7.156 1.00 7.50 H new ATOM 0 HA ASP A 21 8.116 2.123 -9.152 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.671 -0.376 -7.614 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.313 0.473 -8.326 1.00 11.00 H new ATOM 339 N THR A 22 6.181 3.174 -7.670 1.00 5.37 N ATOM 340 CA THR A 22 5.434 4.035 -6.690 1.00 6.01 C ATOM 341 C THR A 22 4.336 3.370 -5.749 1.00 8.01 C ATOM 342 O THR A 22 3.930 2.246 -6.027 1.00 8.11 O ATOM 343 CB THR A 22 4.664 5.240 -7.407 1.00 8.92 C ATOM 344 OG1 THR A 22 3.700 4.760 -8.260 1.00 10.22 O ATOM 345 CG2 THR A 22 5.728 5.966 -8.214 1.00 9.65 C ATOM 0 H THR A 22 5.760 3.081 -8.595 1.00 5.37 H new ATOM 0 HA THR A 22 6.272 4.330 -6.058 1.00 6.01 H new ATOM 0 HB THR A 22 4.169 5.885 -6.681 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.239 5.511 -8.688 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.276 6.809 -8.737 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.507 6.330 -7.544 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.165 5.280 -8.940 1.00 9.65 H new ATOM 353 N ILE A 23 3.817 4.117 -4.745 1.00 8.32 N ATOM 354 CA ILE A 23 2.697 3.643 -3.884 1.00 9.92 C ATOM 355 C ILE A 23 1.397 3.420 -4.655 1.00 10.01 C ATOM 356 O ILE A 23 0.637 2.486 -4.441 1.00 8.71 O ATOM 357 CB ILE A 23 2.426 4.606 -2.735 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.637 5.086 -1.868 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.398 4.088 -1.674 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.562 3.950 -1.410 1.00 12.30 C ATOM 0 H ILE A 23 4.153 5.050 -4.508 1.00 8.32 H new ATOM 0 HA ILE A 23 3.028 2.682 -3.492 1.00 9.92 H new ATOM 0 HB ILE A 23 2.054 5.434 -3.338 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.219 5.807 -2.442 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.258 5.609 -0.990 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.269 4.840 -0.895 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.440 3.899 -2.158 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.768 3.164 -1.229 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.377 4.362 -0.815 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.995 3.240 -0.808 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.972 3.440 -2.282 1.00 12.30 H new ATOM 372 N GLU A 24 1.265 4.274 -5.672 1.00 9.54 N ATOM 373 CA GLU A 24 0.213 4.169 -6.615 1.00 11.81 C ATOM 374 C GLU A 24 0.224 2.926 -7.498 1.00 11.14 C ATOM 375 O GLU A 24 -0.790 2.288 -7.678 1.00 10.62 O ATOM 376 CB GLU A 24 0.211 5.459 -7.502 1.00 19.24 C ATOM 377 CG GLU A 24 -0.776 5.303 -8.715 1.00 27.76 C ATOM 378 CD GLU A 24 -0.912 6.615 -9.435 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.046 7.387 -9.579 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.986 6.806 -10.110 1.00 36.51 O ATOM 0 H GLU A 24 1.902 5.053 -5.842 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.701 4.068 -6.029 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.080 6.319 -6.899 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.218 5.654 -7.870 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.407 4.539 -9.399 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.751 4.970 -8.361 1.00 27.76 H new ATOM 387 N ASN A 25 1.449 2.529 -7.980 1.00 9.43 N ATOM 388 CA ASN A 25 1.695 1.238 -8.635 1.00 10.96 C ATOM 389 C ASN A 25 1.496 0.039 -7.669 1.00 9.68 C ATOM 390 O ASN A 25 1.140 -1.026 -8.232 1.00 9.33 O ATOM 391 CB ASN A 25 3.077 1.108 -9.332 1.00 16.78 C ATOM 392 CG ASN A 25 2.985 1.783 -10.663 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.121 1.030 -11.620 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.892 3.151 -10.799 1.00 24.70 N ATOM 0 H ASN A 25 2.283 3.113 -7.914 1.00 9.43 H new ATOM 0 HA ASN A 25 0.941 1.209 -9.421 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.856 1.568 -8.724 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.346 0.059 -9.454 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.936 3.576 -11.725 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.779 3.739 -9.973 1.00 24.70 H new ATOM 401 N VAL A 26 1.687 0.191 -6.371 1.00 6.52 N ATOM 402 CA VAL A 26 1.310 -0.785 -5.357 1.00 5.53 C ATOM 403 C VAL A 26 -0.215 -0.910 -5.211 1.00 4.42 C ATOM 404 O VAL A 26 -0.652 -2.033 -5.324 1.00 3.40 O ATOM 405 CB VAL A 26 2.001 -0.477 -4.006 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.511 -1.462 -2.885 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.485 -0.753 -4.202 1.00 8.12 C ATOM 0 H VAL A 26 2.123 1.025 -5.977 1.00 6.52 H new ATOM 0 HA VAL A 26 1.665 -1.759 -5.693 1.00 5.53 H new ATOM 0 HB VAL A 26 1.780 0.549 -3.713 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.012 -1.224 -1.947 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.433 -1.360 -2.757 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.747 -2.487 -3.172 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.019 -0.550 -3.274 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.627 -1.797 -4.481 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.873 -0.110 -4.992 1.00 8.12 H new ATOM 417 N LYS A 27 -0.924 0.200 -5.132 1.00 2.64 N ATOM 418 CA LYS A 27 -2.376 0.143 -5.158 1.00 4.14 C ATOM 419 C LYS A 27 -2.965 -0.378 -6.465 1.00 5.58 C ATOM 420 O LYS A 27 -3.948 -1.092 -6.444 1.00 4.11 O ATOM 421 CB LYS A 27 -2.967 1.530 -4.817 1.00 3.97 C ATOM 422 CG LYS A 27 -2.503 1.983 -3.434 1.00 7.45 C ATOM 423 CD LYS A 27 -3.204 3.383 -3.158 1.00 9.02 C ATOM 424 CE LYS A 27 -2.624 4.056 -1.950 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.413 5.266 -1.626 1.00 15.47 N ATOM 0 H LYS A 27 -0.529 1.137 -5.051 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.659 -0.587 -4.399 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.658 2.258 -5.567 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.056 1.485 -4.845 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.781 1.253 -2.673 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.418 2.080 -3.401 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.086 4.029 -4.028 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.274 3.234 -3.015 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.628 3.370 -1.103 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.585 4.327 -2.136 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.008 5.730 -0.788 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.388 5.923 -2.432 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.398 4.996 -1.430 1.00 15.47 H new ATOM 439 N ALA A 28 -2.317 -0.242 -7.662 1.00 6.61 N ATOM 440 CA ALA A 28 -2.682 -0.987 -8.894 1.00 7.74 C ATOM 441 C ALA A 28 -2.552 -2.497 -8.820 1.00 9.17 C ATOM 442 O ALA A 28 -3.416 -3.251 -9.283 1.00 11.45 O ATOM 443 CB ALA A 28 -1.851 -0.533 -10.064 1.00 7.68 C ATOM 0 H ALA A 28 -1.527 0.390 -7.792 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.741 -0.757 -9.015 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.138 -1.094 -10.953 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.016 0.530 -10.237 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.796 -0.706 -9.850 1.00 7.68 H new ATOM 449 N LYS A 29 -1.465 -3.013 -8.136 1.00 8.96 N ATOM 450 CA LYS A 29 -1.319 -4.418 -7.875 1.00 7.90 C ATOM 451 C LYS A 29 -2.370 -4.964 -6.827 1.00 6.92 C ATOM 452 O LYS A 29 -2.807 -6.092 -6.992 1.00 6.87 O ATOM 453 CB LYS A 29 0.147 -4.735 -7.462 1.00 10.28 C ATOM 454 CG LYS A 29 0.669 -6.111 -7.656 1.00 14.94 C ATOM 455 CD LYS A 29 2.213 -6.061 -7.503 1.00 19.69 C ATOM 456 CE LYS A 29 3.009 -7.353 -7.301 1.00 22.63 C ATOM 457 NZ LYS A 29 3.645 -7.685 -8.585 1.00 24.98 N ATOM 0 H LYS A 29 -0.702 -2.441 -7.774 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.537 -4.950 -8.801 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.798 -4.056 -8.013 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.251 -4.490 -6.405 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.235 -6.791 -6.923 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.395 -6.488 -8.642 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.610 -5.572 -8.393 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.433 -5.410 -6.657 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.761 -7.222 -6.523 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.353 -8.161 -6.978 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.464 -8.683 -8.814 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.251 -7.080 -9.334 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.671 -7.527 -8.516 1.00 24.98 H new ATOM 471 N ILE A 30 -2.642 -4.278 -5.713 1.00 4.57 N ATOM 472 CA ILE A 30 -3.689 -4.596 -4.757 1.00 5.58 C ATOM 473 C ILE A 30 -5.052 -4.521 -5.441 1.00 7.26 C ATOM 474 O ILE A 30 -5.960 -5.325 -5.102 1.00 9.46 O ATOM 475 CB ILE A 30 -3.701 -3.650 -3.564 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.349 -3.729 -2.799 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.904 -4.059 -2.628 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.357 -2.956 -1.450 1.00 2.00 C ATOM 0 H ILE A 30 -2.110 -3.449 -5.448 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.485 -5.603 -4.392 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.828 -2.620 -3.897 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.108 -4.775 -2.609 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.557 -3.330 -3.433 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.935 -3.395 -1.764 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.840 -3.978 -3.181 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.770 -5.087 -2.291 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.384 -3.053 -0.969 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.567 -1.903 -1.636 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.126 -3.370 -0.798 1.00 2.00 H new ATOM 490 N GLN A 31 -5.260 -3.646 -6.360 1.00 7.06 N ATOM 491 CA GLN A 31 -6.500 -3.618 -7.169 1.00 8.67 C ATOM 492 C GLN A 31 -6.647 -4.855 -7.966 1.00 10.90 C ATOM 493 O GLN A 31 -7.689 -5.539 -8.039 1.00 9.63 O ATOM 494 CB GLN A 31 -6.665 -2.400 -8.075 1.00 9.12 C ATOM 495 CG GLN A 31 -7.824 -2.483 -9.049 1.00 10.76 C ATOM 496 CD GLN A 31 -8.024 -1.127 -9.760 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.946 -0.372 -9.535 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.996 -0.758 -10.577 1.00 14.76 N ATOM 0 H GLN A 31 -4.593 -2.912 -6.599 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.296 -3.545 -6.428 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.796 -1.516 -7.451 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.744 -2.258 -8.640 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.634 -3.263 -9.786 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.735 -2.761 -8.518 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.228 -1.406 -10.755 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.995 0.166 -11.010 1.00 14.76 H new ATOM 507 N ASP A 32 -5.555 -5.329 -8.641 1.00 10.93 N ATOM 508 CA ASP A 32 -5.451 -6.587 -9.282 1.00 14.01 C ATOM 509 C ASP A 32 -5.592 -7.809 -8.392 1.00 14.04 C ATOM 510 O ASP A 32 -6.215 -8.802 -8.808 1.00 13.39 O ATOM 511 CB ASP A 32 -3.991 -6.611 -9.972 1.00 18.01 C ATOM 512 CG ASP A 32 -3.857 -7.746 -10.946 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.497 -7.684 -12.064 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.099 -8.732 -10.630 1.00 25.17 O ATOM 0 H ASP A 32 -4.701 -4.778 -8.731 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.288 -6.665 -9.976 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.816 -5.666 -10.487 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.225 -6.700 -9.201 1.00 18.01 H new ATOM 519 N LYS A 33 -5.014 -7.734 -7.159 1.00 14.22 N ATOM 520 CA LYS A 33 -5.016 -8.897 -6.281 1.00 14.00 C ATOM 521 C LYS A 33 -6.199 -9.061 -5.407 1.00 12.37 C ATOM 522 O LYS A 33 -6.544 -10.147 -5.021 1.00 12.17 O ATOM 523 CB LYS A 33 -3.790 -8.870 -5.337 1.00 18.62 C ATOM 524 CG LYS A 33 -3.544 -10.107 -4.425 1.00 24.00 C ATOM 525 CD LYS A 33 -2.103 -10.238 -3.932 1.00 27.61 C ATOM 526 CE LYS A 33 -1.129 -10.809 -5.007 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.647 -12.040 -5.585 1.00 30.06 N ATOM 0 H LYS A 33 -4.561 -6.903 -6.778 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.009 -9.728 -6.986 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.900 -8.724 -5.949 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.882 -7.994 -4.695 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.208 -10.048 -3.563 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.813 -11.010 -4.974 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.746 -9.259 -3.613 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.084 -10.886 -3.055 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.978 -10.070 -5.794 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.155 -10.998 -4.556 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.861 -12.697 -5.764 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.320 -12.478 -4.924 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.131 -11.826 -6.480 1.00 30.06 H new ATOM 541 N GLU A 34 -6.921 -7.964 -5.132 1.00 10.11 N ATOM 542 CA GLU A 34 -8.058 -7.899 -4.139 1.00 10.07 C ATOM 543 C GLU A 34 -9.283 -7.216 -4.659 1.00 9.32 C ATOM 544 O GLU A 34 -10.332 -7.278 -3.987 1.00 11.61 O ATOM 545 CB GLU A 34 -7.517 -7.277 -2.852 1.00 14.77 C ATOM 546 CG GLU A 34 -6.572 -8.213 -1.965 1.00 18.75 C ATOM 547 CD GLU A 34 -7.271 -9.392 -1.341 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.442 -9.283 -0.967 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.656 -10.478 -1.121 1.00 21.95 O ATOM 0 H GLU A 34 -6.745 -7.070 -5.590 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.412 -8.910 -3.938 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.961 -6.376 -3.113 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.363 -6.964 -2.240 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.756 -8.578 -2.588 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.125 -7.611 -1.174 1.00 18.75 H new ATOM 556 N GLY A 35 -9.259 -6.615 -5.862 1.00 7.22 N ATOM 557 CA GLY A 35 -10.432 -5.902 -6.491 1.00 6.29 C ATOM 558 C GLY A 35 -10.657 -4.475 -5.994 1.00 6.93 C ATOM 559 O GLY A 35 -11.507 -3.803 -6.531 1.00 7.41 O ATOM 0 H GLY A 35 -8.424 -6.599 -6.448 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.287 -5.877 -7.571 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.335 -6.483 -6.304 1.00 6.29 H new ATOM 563 N ILE A 36 -9.883 -3.886 -5.034 1.00 5.86 N ATOM 564 CA ILE A 36 -10.294 -2.702 -4.255 1.00 6.07 C ATOM 565 C ILE A 36 -9.932 -1.398 -4.956 1.00 6.36 C ATOM 566 O ILE A 36 -8.759 -1.285 -5.198 1.00 6.18 O ATOM 567 CB ILE A 36 -9.643 -2.662 -2.893 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.786 -3.953 -2.040 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.349 -1.495 -2.157 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.911 -4.053 -0.853 1.00 9.49 C ATOM 0 H ILE A 36 -8.955 -4.229 -4.787 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.376 -2.793 -4.157 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.567 -2.547 -3.027 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.822 -4.032 -1.709 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.590 -4.811 -2.683 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.935 -1.394 -1.154 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.192 -0.568 -2.709 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.417 -1.700 -2.090 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.101 -4.995 -0.339 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.868 -4.015 -1.166 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.118 -3.223 -0.177 1.00 9.49 H new ATOM 582 N PRO A 37 -10.690 -0.365 -5.304 1.00 8.65 N ATOM 583 CA PRO A 37 -10.204 0.802 -6.009 1.00 9.18 C ATOM 584 C PRO A 37 -9.057 1.482 -5.311 1.00 9.85 C ATOM 585 O PRO A 37 -9.246 1.716 -4.093 1.00 8.51 O ATOM 586 CB PRO A 37 -11.392 1.704 -5.996 1.00 11.42 C ATOM 587 CG PRO A 37 -12.599 0.737 -6.109 1.00 9.27 C ATOM 588 CD PRO A 37 -12.158 -0.495 -5.319 1.00 8.33 C ATOM 0 HA PRO A 37 -9.823 0.544 -6.997 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.436 2.292 -5.079 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.367 2.409 -6.827 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.504 1.177 -5.690 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.816 0.489 -7.148 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.574 -0.500 -4.311 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.477 -1.420 -5.800 1.00 8.33 H new ATOM 596 N PRO A 38 -7.947 1.896 -5.864 1.00 8.71 N ATOM 597 CA PRO A 38 -6.926 2.723 -5.224 1.00 9.08 C ATOM 598 C PRO A 38 -7.390 3.998 -4.649 1.00 9.28 C ATOM 599 O PRO A 38 -6.612 4.543 -3.828 1.00 6.50 O ATOM 600 CB PRO A 38 -5.992 3.114 -6.363 1.00 10.31 C ATOM 601 CG PRO A 38 -5.999 1.852 -7.249 1.00 10.81 C ATOM 602 CD PRO A 38 -7.460 1.474 -7.175 1.00 12.00 C ATOM 0 HA PRO A 38 -6.510 2.146 -4.398 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.354 3.990 -6.902 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.991 3.352 -6.003 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.675 2.059 -8.269 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.348 1.069 -6.861 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.024 1.960 -7.970 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.587 0.399 -7.305 1.00 12.00 H new ATOM 610 N ASP A 39 -8.565 4.501 -4.962 1.00 11.20 N ATOM 611 CA ASP A 39 -9.028 5.690 -4.272 1.00 14.96 C ATOM 612 C ASP A 39 -9.740 5.392 -2.958 1.00 13.99 C ATOM 613 O ASP A 39 -9.964 6.360 -2.232 1.00 13.75 O ATOM 614 CB ASP A 39 -10.107 6.430 -5.149 1.00 24.16 C ATOM 615 CG ASP A 39 -9.375 7.185 -6.197 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.606 8.139 -5.931 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.671 6.861 -7.388 1.00 34.22 O ATOM 0 H ASP A 39 -9.200 4.123 -5.665 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.129 6.279 -4.088 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.794 5.714 -5.599 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.705 7.104 -4.536 1.00 24.16 H new ATOM 622 N GLN A 40 -10.110 4.099 -2.795 1.00 11.60 N ATOM 623 CA GLN A 40 -10.550 3.506 -1.508 1.00 10.76 C ATOM 624 C GLN A 40 -9.387 3.137 -0.556 1.00 8.01 C ATOM 625 O GLN A 40 -9.510 3.171 0.702 1.00 8.96 O ATOM 626 CB GLN A 40 -11.517 2.308 -1.767 1.00 11.14 C ATOM 627 CG GLN A 40 -12.548 2.129 -0.640 1.00 14.85 C ATOM 628 CD GLN A 40 -13.423 0.924 -0.825 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.727 0.530 -1.929 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.903 0.259 0.264 1.00 18.16 N ATOM 0 H GLN A 40 -10.111 3.429 -3.564 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.098 4.281 -0.973 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.039 2.464 -2.711 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.936 1.392 -1.872 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.025 2.047 0.313 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.174 3.020 -0.584 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.659 0.575 1.203 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.506 -0.554 0.140 1.00 18.16 H new ATOM 639 N GLN A 41 -8.255 2.747 -1.139 1.00 6.52 N ATOM 640 CA GLN A 41 -7.080 2.279 -0.453 1.00 3.87 C ATOM 641 C GLN A 41 -6.312 3.449 0.212 1.00 4.79 C ATOM 642 O GLN A 41 -5.697 4.304 -0.412 1.00 6.34 O ATOM 643 CB GLN A 41 -6.140 1.489 -1.409 1.00 4.20 C ATOM 644 CG GLN A 41 -6.819 0.236 -2.059 1.00 3.20 C ATOM 645 CD GLN A 41 -5.852 -0.429 -3.033 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.676 -0.447 -2.711 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.233 -0.842 -4.312 1.00 7.13 N ATOM 0 H GLN A 41 -8.140 2.754 -2.152 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.415 1.600 0.331 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.795 2.156 -2.199 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.258 1.168 -0.855 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.114 -0.472 -1.284 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.728 0.534 -2.581 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.217 -0.827 -4.581 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.527 -1.159 -4.977 1.00 7.13 H new ATOM 656 N ARG A 42 -6.267 3.455 1.569 1.00 5.73 N ATOM 657 CA ARG A 42 -5.268 4.196 2.435 1.00 6.97 C ATOM 658 C ARG A 42 -4.312 3.106 2.811 1.00 7.15 C ATOM 659 O ARG A 42 -4.691 2.021 3.161 1.00 7.33 O ATOM 660 CB ARG A 42 -5.996 4.899 3.579 1.00 13.23 C ATOM 661 CG ARG A 42 -6.945 5.903 2.915 1.00 21.27 C ATOM 662 CD ARG A 42 -7.406 6.860 4.043 1.00 26.14 C ATOM 663 NE ARG A 42 -8.037 8.055 3.464 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.943 8.849 4.036 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.442 8.624 5.291 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.344 9.913 3.347 1.00 36.39 N ATOM 0 H ARG A 42 -6.942 2.931 2.126 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.727 5.019 1.969 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.548 4.184 4.189 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.291 5.405 4.239 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.440 6.451 2.120 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.796 5.395 2.461 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.110 6.349 4.699 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.553 7.150 4.656 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.749 8.305 2.518 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.121 7.820 5.831 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.134 9.260 5.686 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.960 10.094 2.420 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.036 10.548 3.746 1.00 36.39 H new ATOM 680 N LEU A 43 -2.998 3.316 2.842 1.00 4.65 N ATOM 681 CA LEU A 43 -1.995 2.329 3.277 1.00 3.51 C ATOM 682 C LEU A 43 -1.052 3.018 4.177 1.00 5.56 C ATOM 683 O LEU A 43 -0.682 4.160 3.954 1.00 4.19 O ATOM 684 CB LEU A 43 -1.157 1.774 2.057 1.00 3.74 C ATOM 685 CG LEU A 43 -1.805 1.007 0.848 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.752 0.688 -0.123 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.448 -0.257 1.390 1.00 6.41 C ATOM 0 H LEU A 43 -2.582 4.203 2.558 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.511 1.499 3.759 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.627 2.627 1.633 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.404 1.108 2.477 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.563 1.610 0.349 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.186 0.155 -0.969 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.289 1.610 -0.474 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.003 0.061 0.352 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.907 -0.811 0.572 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.688 -0.876 1.866 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.211 0.008 2.122 1.00 6.41 H new ATOM 699 N ILE A 44 -0.776 2.382 5.338 1.00 4.58 N ATOM 700 CA ILE A 44 -0.148 3.034 6.482 1.00 5.55 C ATOM 701 C ILE A 44 1.077 2.206 6.872 1.00 5.46 C ATOM 702 O ILE A 44 0.984 1.005 7.150 1.00 6.04 O ATOM 703 CB ILE A 44 -0.988 3.226 7.712 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.387 3.730 7.305 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.257 4.257 8.657 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.213 4.415 8.401 1.00 13.90 C ATOM 0 H ILE A 44 -0.988 1.397 5.496 1.00 4.58 H new ATOM 0 HA ILE A 44 0.074 4.045 6.141 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.115 2.285 8.247 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.270 4.430 6.478 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.958 2.882 6.927 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.852 4.410 9.557 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.723 3.867 8.932 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.137 5.207 8.136 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.175 4.724 7.992 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.375 3.718 9.223 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.676 5.290 8.768 1.00 13.90 H new ATOM 718 N PHE A 45 2.256 2.837 6.960 1.00 6.75 N ATOM 719 CA PHE A 45 3.524 2.210 7.383 1.00 4.70 C ATOM 720 C PHE A 45 4.335 3.190 8.244 1.00 6.34 C ATOM 721 O PHE A 45 4.574 4.335 7.922 1.00 5.45 O ATOM 722 CB PHE A 45 4.294 1.740 6.106 1.00 5.51 C ATOM 723 CG PHE A 45 5.726 1.297 6.305 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.733 2.242 6.286 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.023 -0.062 6.467 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.020 1.901 6.576 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.410 -0.396 6.750 1.00 6.68 C ATOM 728 CZ PHE A 45 8.399 0.558 6.678 1.00 6.84 C ATOM 0 H PHE A 45 2.361 3.826 6.733 1.00 6.75 H new ATOM 0 HA PHE A 45 3.338 1.335 8.006 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.741 0.914 5.659 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.287 2.556 5.384 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.497 3.266 6.038 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.261 -0.823 6.386 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.756 2.676 6.729 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.668 -1.409 7.021 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.442 0.277 6.700 1.00 6.84 H new ATOM 738 N ALA A 46 4.748 2.712 9.440 1.00 6.53 N ATOM 739 CA ALA A 46 5.346 3.445 10.558 1.00 7.15 C ATOM 740 C ALA A 46 4.666 4.695 11.021 1.00 9.00 C ATOM 741 O ALA A 46 5.294 5.677 11.433 1.00 11.15 O ATOM 742 CB ALA A 46 6.824 3.771 10.213 1.00 8.99 C ATOM 0 H ALA A 46 4.660 1.719 9.657 1.00 6.53 H new ATOM 0 HA ALA A 46 5.234 2.765 11.402 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.279 4.317 11.040 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.372 2.844 10.046 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.861 4.382 9.311 1.00 8.99 H new ATOM 748 N GLY A 47 3.334 4.657 11.014 1.00 9.35 N ATOM 749 CA GLY A 47 2.343 5.661 11.254 1.00 11.68 C ATOM 750 C GLY A 47 2.176 6.662 10.237 1.00 11.14 C ATOM 751 O GLY A 47 1.540 7.695 10.475 1.00 13.93 O ATOM 0 H GLY A 47 2.874 3.771 10.804 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.384 5.164 11.402 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.589 6.164 12.189 1.00 11.68 H new ATOM 755 N LYS A 48 2.817 6.466 9.034 1.00 10.47 N ATOM 756 CA LYS A 48 2.712 7.357 7.931 1.00 8.82 C ATOM 757 C LYS A 48 1.756 6.782 6.929 1.00 7.68 C ATOM 758 O LYS A 48 1.949 5.666 6.462 1.00 6.47 O ATOM 759 CB LYS A 48 4.075 7.309 7.172 1.00 9.74 C ATOM 760 CG LYS A 48 5.240 7.732 7.989 1.00 14.14 C ATOM 761 CD LYS A 48 6.556 7.640 7.150 1.00 16.32 C ATOM 762 CE LYS A 48 7.714 8.304 7.983 1.00 20.04 C ATOM 763 NZ LYS A 48 8.974 7.965 7.276 1.00 23.92 N ATOM 0 H LYS A 48 3.416 5.661 8.850 1.00 10.47 H new ATOM 0 HA LYS A 48 2.419 8.344 8.290 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.245 6.293 6.816 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.011 7.949 6.292 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.095 8.754 8.339 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.320 7.100 8.874 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.794 6.600 6.929 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.434 8.149 6.194 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.580 9.384 8.045 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.726 7.925 9.005 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.780 8.381 7.785 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.084 6.931 7.238 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.942 8.345 6.308 1.00 23.92 H new ATOM 777 N GLN A 49 0.635 7.512 6.704 1.00 8.89 N ATOM 778 CA GLN A 49 -0.223 7.191 5.613 1.00 7.18 C ATOM 779 C GLN A 49 0.472 7.505 4.243 1.00 8.23 C ATOM 780 O GLN A 49 0.933 8.634 4.103 1.00 9.70 O ATOM 781 CB GLN A 49 -1.502 7.998 5.737 1.00 11.67 C ATOM 782 CG GLN A 49 -2.623 7.567 4.796 1.00 15.82 C ATOM 783 CD GLN A 49 -3.940 8.319 5.150 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.605 7.977 6.154 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.304 9.355 4.409 1.00 20.67 N ATOM 0 H GLN A 49 0.336 8.306 7.270 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.449 6.125 5.642 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.861 7.928 6.764 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.273 9.047 5.550 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.342 7.776 3.764 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.778 6.491 4.872 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.750 9.619 3.594 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.138 9.889 4.653 1.00 20.67 H new ATOM 794 N LEU A 50 0.595 6.506 3.374 1.00 6.51 N ATOM 795 CA LEU A 50 1.513 6.649 2.284 1.00 7.41 C ATOM 796 C LEU A 50 0.889 7.379 1.158 1.00 8.27 C ATOM 797 O LEU A 50 -0.257 7.213 0.752 1.00 8.34 O ATOM 798 CB LEU A 50 1.964 5.290 1.727 1.00 7.13 C ATOM 799 CG LEU A 50 2.667 4.471 2.831 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.869 2.978 2.442 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.967 5.056 3.262 1.00 9.11 C ATOM 0 H LEU A 50 0.084 5.624 3.411 1.00 6.51 H new ATOM 0 HA LEU A 50 2.367 7.194 2.686 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.103 4.740 1.348 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.642 5.439 0.887 1.00 7.13 H new ATOM 0 HG LEU A 50 1.981 4.516 3.677 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.368 2.454 3.257 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.900 2.517 2.253 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.481 2.916 1.542 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.407 4.431 4.039 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.644 5.106 2.409 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.802 6.060 3.653 1.00 9.11 H new ATOM 813 N GLU A 51 1.625 8.267 0.566 1.00 9.43 N ATOM 814 CA GLU A 51 1.141 9.142 -0.529 1.00 11.90 C ATOM 815 C GLU A 51 1.391 8.584 -1.916 1.00 11.49 C ATOM 816 O GLU A 51 2.567 8.291 -2.189 1.00 9.88 O ATOM 817 CB GLU A 51 1.822 10.610 -0.466 1.00 16.56 C ATOM 818 CG GLU A 51 1.372 11.613 -1.582 1.00 26.06 C ATOM 819 CD GLU A 51 1.767 13.035 -1.291 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.107 13.724 -0.468 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.726 13.463 -1.979 1.00 33.44 O ATOM 0 H GLU A 51 2.601 8.430 0.813 1.00 9.43 H new ATOM 0 HA GLU A 51 0.065 9.203 -0.366 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.601 11.052 0.505 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.904 10.492 -0.524 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.808 11.308 -2.533 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.289 11.559 -1.696 1.00 26.06 H new ATOM 828 N ASP A 52 0.358 8.560 -2.764 1.00 12.71 N ATOM 829 CA ASP A 52 0.307 7.858 -3.988 1.00 16.56 C ATOM 830 C ASP A 52 1.521 8.033 -4.962 1.00 15.83 C ATOM 831 O ASP A 52 2.141 7.046 -5.353 1.00 17.21 O ATOM 832 CB ASP A 52 -0.915 8.335 -4.784 1.00 21.05 C ATOM 833 CG ASP A 52 -2.189 8.150 -3.954 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.475 6.932 -3.640 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.827 9.163 -3.622 1.00 25.82 O ATOM 0 H ASP A 52 -0.504 9.072 -2.574 1.00 12.71 H new ATOM 0 HA ASP A 52 0.290 6.813 -3.677 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.796 9.385 -5.053 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.994 7.774 -5.715 1.00 21.05 H new ATOM 840 N GLY A 53 1.961 9.341 -5.137 1.00 15.00 N ATOM 841 CA GLY A 53 3.011 9.705 -6.056 1.00 11.77 C ATOM 842 C GLY A 53 4.405 9.547 -5.712 1.00 11.10 C ATOM 843 O GLY A 53 5.279 9.681 -6.527 1.00 11.25 O ATOM 0 H GLY A 53 1.571 10.133 -4.627 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.844 9.135 -6.970 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.864 10.756 -6.305 1.00 11.77 H new ATOM 847 N ARG A 54 4.679 9.215 -4.455 1.00 8.53 N ATOM 848 CA ARG A 54 5.976 8.767 -3.963 1.00 9.05 C ATOM 849 C ARG A 54 6.487 7.413 -4.413 1.00 8.96 C ATOM 850 O ARG A 54 5.717 6.454 -4.651 1.00 11.60 O ATOM 851 CB ARG A 54 5.918 8.697 -2.464 1.00 7.97 C ATOM 852 CG ARG A 54 5.260 9.929 -1.757 1.00 9.62 C ATOM 853 CD ARG A 54 5.999 11.243 -2.008 1.00 12.20 C ATOM 854 NE ARG A 54 5.218 12.340 -1.377 1.00 18.23 N ATOM 855 CZ ARG A 54 5.381 12.764 -0.130 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.239 12.236 0.768 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.655 13.786 0.253 1.00 23.38 N ATOM 0 H ARG A 54 3.973 9.253 -3.720 1.00 8.53 H new ATOM 0 HA ARG A 54 6.662 9.501 -4.385 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.367 7.800 -2.181 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.933 8.581 -2.083 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.231 10.029 -2.102 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.220 9.743 -0.684 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.004 11.201 -1.588 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.108 11.420 -3.078 1.00 12.20 H new ATOM 0 HE ARG A 54 4.505 12.800 -1.944 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.828 11.446 0.507 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.298 12.627 1.708 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.000 14.219 -0.398 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.745 14.148 1.202 1.00 23.38 H new ATOM 871 N THR A 55 7.809 7.217 -4.433 1.00 9.05 N ATOM 872 CA THR A 55 8.387 5.826 -4.482 1.00 9.03 C ATOM 873 C THR A 55 8.570 5.156 -3.226 1.00 8.15 C ATOM 874 O THR A 55 8.503 5.817 -2.192 1.00 5.91 O ATOM 875 CB THR A 55 9.732 5.663 -5.253 1.00 11.15 C ATOM 876 OG1 THR A 55 10.756 6.621 -4.855 1.00 11.95 O ATOM 877 CG2 THR A 55 9.413 5.936 -6.740 1.00 11.71 C ATOM 0 H THR A 55 8.501 7.966 -4.417 1.00 9.05 H new ATOM 0 HA THR A 55 7.574 5.355 -5.035 1.00 9.03 H new ATOM 0 HB THR A 55 10.122 4.666 -5.046 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.578 6.142 -4.621 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.323 5.836 -7.332 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.671 5.219 -7.091 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.020 6.947 -6.848 1.00 11.71 H new ATOM 885 N LEU A 56 8.690 3.788 -3.242 1.00 6.91 N ATOM 886 CA LEU A 56 9.062 3.042 -2.070 1.00 8.29 C ATOM 887 C LEU A 56 10.388 3.371 -1.421 1.00 8.05 C ATOM 888 O LEU A 56 10.499 3.457 -0.203 1.00 10.17 O ATOM 889 CB LEU A 56 9.050 1.468 -2.366 1.00 6.60 C ATOM 890 CG LEU A 56 7.608 0.854 -2.249 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.647 1.258 -3.334 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.808 -0.690 -2.306 1.00 8.64 C ATOM 0 H LEU A 56 8.527 3.214 -4.069 1.00 6.91 H new ATOM 0 HA LEU A 56 8.298 3.350 -1.356 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.441 1.285 -3.367 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.716 0.963 -1.666 1.00 6.60 H new ATOM 0 HG LEU A 56 7.157 1.222 -1.327 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.682 0.781 -3.161 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.523 2.341 -3.326 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.038 0.945 -4.302 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.840 -1.185 -2.230 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.281 -0.961 -3.250 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.443 -1.005 -1.478 1.00 8.64 H new ATOM 904 N SER A 57 11.378 3.665 -2.261 1.00 8.92 N ATOM 905 CA SER A 57 12.707 4.104 -1.933 1.00 9.00 C ATOM 906 C SER A 57 12.639 5.436 -1.186 1.00 9.44 C ATOM 907 O SER A 57 13.491 5.663 -0.283 1.00 10.91 O ATOM 908 CB SER A 57 13.700 4.097 -3.122 1.00 10.32 C ATOM 909 OG SER A 57 13.211 4.929 -4.179 1.00 13.59 O ATOM 0 H SER A 57 11.246 3.592 -3.270 1.00 8.92 H new ATOM 0 HA SER A 57 13.141 3.362 -1.263 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.676 4.452 -2.792 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.837 3.078 -3.485 1.00 10.32 H new ATOM 0 HG SER A 57 13.847 4.918 -4.925 1.00 13.59 H new ATOM 915 N ASP A 58 11.684 6.336 -1.526 1.00 9.11 N ATOM 916 CA ASP A 58 11.630 7.673 -0.957 1.00 7.91 C ATOM 917 C ASP A 58 11.002 7.588 0.446 1.00 9.12 C ATOM 918 O ASP A 58 11.212 8.426 1.274 1.00 8.61 O ATOM 919 CB ASP A 58 10.905 8.503 -2.017 1.00 8.41 C ATOM 920 CG ASP A 58 11.038 9.959 -1.672 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.185 10.371 -1.668 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.037 10.579 -1.286 1.00 11.70 O ATOM 0 H ASP A 58 10.942 6.142 -2.199 1.00 9.11 H new ATOM 0 HA ASP A 58 12.585 8.161 -0.761 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.329 8.309 -3.002 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.853 8.221 -2.062 1.00 8.41 H new ATOM 927 N TYR A 59 10.281 6.485 0.821 1.00 7.97 N ATOM 928 CA TYR A 59 9.672 6.326 2.138 1.00 8.45 C ATOM 929 C TYR A 59 10.447 5.445 3.073 1.00 10.98 C ATOM 930 O TYR A 59 10.068 5.183 4.249 1.00 12.95 O ATOM 931 CB TYR A 59 8.273 5.804 1.915 1.00 7.94 C ATOM 932 CG TYR A 59 7.166 6.859 1.969 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.979 7.667 3.062 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.285 6.978 0.852 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.824 8.507 3.183 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.166 7.855 0.918 1.00 6.52 C ATOM 937 CZ TYR A 59 4.903 8.600 2.110 1.00 6.76 C ATOM 938 OH TYR A 59 3.732 9.407 2.282 1.00 7.63 O ATOM 0 H TYR A 59 10.119 5.692 0.200 1.00 7.97 H new ATOM 0 HA TYR A 59 9.664 7.294 2.639 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.237 5.312 0.943 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.063 5.042 2.666 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.719 7.670 3.849 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.468 6.402 -0.043 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.656 9.068 4.090 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.513 7.958 0.064 1.00 6.52 H new ATOM 0 HH TYR A 59 3.639 10.016 1.520 1.00 7.63 H new ATOM 948 N ASN A 60 11.560 4.881 2.539 1.00 12.38 N ATOM 949 CA ASN A 60 12.365 3.908 3.238 1.00 13.94 C ATOM 950 C ASN A 60 11.563 2.620 3.551 1.00 14.16 C ATOM 951 O ASN A 60 11.637 2.077 4.621 1.00 14.26 O ATOM 952 CB ASN A 60 13.090 4.454 4.483 1.00 19.23 C ATOM 953 CG ASN A 60 13.981 5.568 3.978 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.730 5.354 2.999 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.847 6.747 4.620 1.00 24.09 N ATOM 0 H ASN A 60 11.906 5.105 1.606 1.00 12.38 H new ATOM 0 HA ASN A 60 13.164 3.648 2.544 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.378 4.825 5.220 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.675 3.674 4.970 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.384 7.558 4.313 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.209 6.827 5.412 1.00 24.09 H new ATOM 962 N ILE A 61 10.745 2.138 2.602 1.00 11.08 N ATOM 963 CA ILE A 61 9.955 0.848 2.681 1.00 11.78 C ATOM 964 C ILE A 61 10.956 -0.213 2.254 1.00 13.74 C ATOM 965 O ILE A 61 11.620 0.026 1.207 1.00 14.60 O ATOM 966 CB ILE A 61 8.696 0.821 1.903 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.713 1.916 2.367 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.041 -0.591 1.886 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.660 2.350 1.378 1.00 11.42 C ATOM 0 H ILE A 61 10.594 2.632 1.723 1.00 11.08 H new ATOM 0 HA ILE A 61 9.569 0.689 3.688 1.00 11.78 H new ATOM 0 HB ILE A 61 8.959 1.048 0.870 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.209 1.561 3.266 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.293 2.794 2.653 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.121 -0.558 1.303 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.730 -1.306 1.437 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.813 -0.899 2.907 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.035 3.122 1.827 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.142 2.747 0.484 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.041 1.495 1.107 1.00 11.42 H new ATOM 981 N GLN A 62 11.120 -1.307 3.004 1.00 13.97 N ATOM 982 CA GLN A 62 12.125 -2.374 2.693 1.00 15.52 C ATOM 983 C GLN A 62 11.547 -3.797 2.492 1.00 13.94 C ATOM 984 O GLN A 62 10.356 -4.000 2.613 1.00 12.15 O ATOM 985 CB GLN A 62 13.126 -2.389 3.874 1.00 19.53 C ATOM 986 CG GLN A 62 12.464 -2.480 5.284 1.00 26.38 C ATOM 987 CD GLN A 62 13.553 -2.377 6.270 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.747 -2.484 5.964 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.200 -2.344 7.560 1.00 32.71 N ATOM 0 H GLN A 62 10.572 -1.494 3.843 1.00 13.97 H new ATOM 0 HA GLN A 62 12.579 -2.127 1.733 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.803 -3.234 3.749 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.734 -1.485 3.830 1.00 19.53 H new ATOM 0 HG2 GLN A 62 11.739 -1.678 5.423 1.00 26.38 H new ATOM 0 HG3 GLN A 62 11.926 -3.421 5.399 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.217 -2.256 7.818 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.914 -2.407 8.286 1.00 32.71 H new ATOM 998 N LYS A 63 12.426 -4.748 2.120 1.00 11.73 N ATOM 999 CA LYS A 63 11.983 -6.136 1.945 1.00 11.97 C ATOM 1000 C LYS A 63 11.397 -6.736 3.215 1.00 10.41 C ATOM 1001 O LYS A 63 11.851 -6.459 4.318 1.00 9.59 O ATOM 1002 CB LYS A 63 13.160 -7.082 1.413 1.00 13.73 C ATOM 1003 CG LYS A 63 14.334 -7.293 2.382 1.00 16.98 C ATOM 1004 CD LYS A 63 15.468 -8.178 1.761 1.00 20.19 C ATOM 1005 CE LYS A 63 16.590 -8.555 2.761 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.154 -9.552 3.705 1.00 25.97 N ATOM 0 H LYS A 63 13.417 -4.584 1.941 1.00 11.73 H new ATOM 0 HA LYS A 63 11.195 -6.089 1.194 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.736 -8.056 1.167 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.549 -6.661 0.486 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.746 -6.325 2.665 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.968 -7.763 3.295 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.026 -9.092 1.365 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.910 -7.646 0.918 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.455 -8.928 2.213 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.913 -7.663 3.298 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.933 -9.777 4.357 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.344 -9.187 4.246 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.870 -10.412 3.195 1.00 25.97 H new ATOM 1020 N GLU A 64 10.262 -7.443 3.135 1.00 10.04 N ATOM 1021 CA GLU A 64 9.606 -8.081 4.245 1.00 10.94 C ATOM 1022 C GLU A 64 8.757 -7.135 5.103 1.00 9.74 C ATOM 1023 O GLU A 64 8.126 -7.540 6.103 1.00 9.42 O ATOM 1024 CB GLU A 64 10.474 -9.163 5.004 1.00 18.31 C ATOM 1025 CG GLU A 64 11.289 -10.035 4.001 1.00 24.16 C ATOM 1026 CD GLU A 64 11.730 -11.360 4.496 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.059 -11.439 5.672 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.718 -12.373 3.710 1.00 31.72 O ATOM 0 H GLU A 64 9.770 -7.582 2.253 1.00 10.04 H new ATOM 0 HA GLU A 64 8.844 -8.716 3.793 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.155 -8.667 5.696 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.823 -9.802 5.601 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.683 -10.187 3.108 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.171 -9.472 3.696 1.00 24.16 H new ATOM 1035 N SER A 65 8.589 -5.863 4.703 1.00 6.85 N ATOM 1036 CA SER A 65 7.792 -4.805 5.343 1.00 6.90 C ATOM 1037 C SER A 65 6.327 -5.101 5.457 1.00 4.72 C ATOM 1038 O SER A 65 5.773 -5.786 4.595 1.00 3.91 O ATOM 1039 CB SER A 65 7.944 -3.443 4.594 1.00 7.28 C ATOM 1040 OG SER A 65 9.248 -2.962 4.805 1.00 10.56 O ATOM 0 H SER A 65 9.044 -5.522 3.856 1.00 6.85 H new ATOM 0 HA SER A 65 8.199 -4.751 6.353 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.756 -3.574 3.528 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.211 -2.725 4.961 1.00 7.28 H new ATOM 0 HG SER A 65 9.878 -3.473 4.255 1.00 10.56 H new ATOM 1046 N THR A 66 5.700 -4.599 6.534 1.00 4.48 N ATOM 1047 CA THR A 66 4.311 -4.805 6.739 1.00 3.80 C ATOM 1048 C THR A 66 3.681 -3.423 6.598 1.00 4.60 C ATOM 1049 O THR A 66 3.883 -2.559 7.492 1.00 5.33 O ATOM 1050 CB THR A 66 3.951 -5.302 8.230 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.517 -6.594 8.427 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.424 -5.443 8.378 1.00 3.40 C ATOM 0 H THR A 66 6.160 -4.051 7.261 1.00 4.48 H new ATOM 0 HA THR A 66 3.962 -5.563 6.038 1.00 3.80 H new ATOM 0 HB THR A 66 4.338 -4.581 8.951 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.307 -6.909 9.331 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.186 -5.779 9.387 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.950 -4.479 8.195 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.054 -6.171 7.656 1.00 3.40 H new ATOM 1060 N LEU A 67 2.788 -3.234 5.589 1.00 4.17 N ATOM 1061 CA LEU A 67 1.926 -2.087 5.484 1.00 3.85 C ATOM 1062 C LEU A 67 0.600 -2.470 6.126 1.00 3.80 C ATOM 1063 O LEU A 67 0.315 -3.635 6.174 1.00 5.54 O ATOM 1064 CB LEU A 67 1.620 -1.646 4.028 1.00 7.18 C ATOM 1065 CG LEU A 67 2.867 -1.614 3.052 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.370 -0.981 1.750 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.110 -0.905 3.630 1.00 11.66 C ATOM 0 H LEU A 67 2.666 -3.901 4.827 1.00 4.17 H new ATOM 0 HA LEU A 67 2.437 -1.254 5.967 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.871 -2.320 3.612 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.174 -0.652 4.054 1.00 7.18 H new ATOM 0 HG LEU A 67 3.231 -2.628 2.885 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.190 -0.931 1.033 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.563 -1.586 1.336 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.003 0.025 1.952 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.916 -0.929 2.897 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.862 0.131 3.864 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.430 -1.415 4.538 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.236 -1.452 6.422 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.550 -1.623 7.039 1.00 4.17 C ATOM 1081 C HIS A 68 -2.537 -1.039 6.064 1.00 5.32 C ATOM 1082 O HIS A 68 -2.405 0.115 5.696 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.761 -0.983 8.417 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.727 -1.391 9.400 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.486 -0.690 9.463 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.658 -2.407 10.295 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.216 -1.296 10.432 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.571 -2.330 10.952 1.00 16.30 N ATOM 0 H HIS A 68 -0.005 -0.477 6.232 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.672 -2.688 7.237 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.752 0.102 8.315 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.745 -1.259 8.795 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.763 0.112 8.896 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.423 -3.149 10.470 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.200 -0.976 10.741 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.551 -1.843 5.712 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.616 -1.346 4.758 1.00 3.97 C ATOM 1098 C LEU A 69 -5.827 -0.794 5.427 1.00 5.07 C ATOM 1099 O LEU A 69 -6.537 -1.585 6.155 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.046 -2.561 3.936 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.104 -2.345 2.810 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.649 -1.552 1.538 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.673 -3.739 2.415 1.00 9.96 C ATOM 0 H LEU A 69 -3.676 -2.800 6.042 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.193 -0.531 4.171 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.153 -2.988 3.478 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.439 -3.308 4.625 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.858 -1.685 3.240 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.482 -1.477 0.839 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.327 -0.552 1.828 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.821 -2.075 1.060 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.417 -3.618 1.628 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.863 -4.374 2.055 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.138 -4.202 3.285 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.127 0.534 5.221 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.344 1.146 5.771 1.00 6.26 C ATOM 1117 C VAL A 70 -8.193 1.465 4.612 1.00 9.22 C ATOM 1118 O VAL A 70 -7.736 1.982 3.598 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.064 2.410 6.594 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.328 3.139 7.177 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.185 1.999 7.790 1.00 8.54 C ATOM 0 H VAL A 70 -5.540 1.173 4.685 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.825 0.455 6.464 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.596 3.115 5.907 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.014 4.018 7.740 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.980 3.446 6.359 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.868 2.460 7.836 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.966 2.876 8.399 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.714 1.261 8.394 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.253 1.568 7.425 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.475 1.182 4.676 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.274 1.355 3.499 1.00 16.06 C ATOM 1133 C LEU A 71 -11.188 2.509 3.771 1.00 18.09 C ATOM 1134 O LEU A 71 -12.020 2.487 4.697 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.124 0.151 3.092 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.281 -1.007 2.753 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.103 -2.287 2.527 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.316 -0.648 1.555 1.00 19.57 C ATOM 0 H LEU A 71 -9.967 0.843 5.503 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.587 1.510 2.667 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.798 -0.113 3.907 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.746 0.414 2.236 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.650 -1.238 3.611 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.433 -3.111 2.280 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.656 -2.529 3.434 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.803 -2.130 1.706 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.698 -1.513 1.314 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.907 -0.370 0.682 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.676 0.187 1.841 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.117 3.539 2.943 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.087 4.604 2.896 1.00 25.83 C ATOM 1152 C ARG A 72 -13.572 4.245 2.766 1.00 27.74 C ATOM 1153 O ARG A 72 -14.004 3.534 1.884 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.658 5.511 1.698 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.181 6.971 1.855 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.508 7.861 0.777 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.107 9.210 0.943 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.278 10.188 0.042 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.431 10.226 -0.951 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.112 11.170 0.274 1.00 35.02 N ATOM 0 H ARG A 72 -10.360 3.654 2.270 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.062 5.075 3.879 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.571 5.521 1.622 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.038 5.088 0.768 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.265 6.998 1.744 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.954 7.348 2.852 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.427 7.892 0.914 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.692 7.471 -0.224 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.438 9.425 1.884 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.686 9.532 -1.012 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.515 10.949 -1.665 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.639 11.196 1.147 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.235 11.909 -0.418 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.421 4.792 3.646 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.848 4.654 3.535 1.00 30.76 C ATOM 1176 C LEU A 73 -16.452 5.664 2.559 1.00 32.18 C ATOM 1177 O LEU A 73 -15.834 6.738 2.352 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.583 4.843 4.960 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.345 3.786 6.010 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.953 4.134 7.364 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.581 2.333 5.617 1.00 29.11 C ATOM 0 H LEU A 73 -14.120 5.341 4.451 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.012 3.643 3.163 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.275 5.803 5.373 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.656 4.903 4.780 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.260 3.824 6.110 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.745 3.332 8.073 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.518 5.064 7.730 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.031 4.255 7.258 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.371 1.687 6.469 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.619 2.203 5.310 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.922 2.068 4.790 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.602 5.370 1.936 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.100 6.305 0.943 1.00 35.33 C ATOM 1195 C ARG A 74 -18.454 7.663 1.524 1.00 36.22 C ATOM 1196 O ARG A 74 -18.276 8.707 0.853 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.445 5.828 0.314 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.369 4.503 -0.513 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.309 4.407 -1.603 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.735 3.238 -2.453 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.389 1.935 -2.324 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.537 1.527 -1.393 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.711 1.025 -3.244 1.00 41.93 N ATOM 0 H ARG A 74 -18.171 4.538 2.095 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.283 6.365 0.223 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.173 5.695 1.114 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.824 6.619 -0.334 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.208 3.681 0.185 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.342 4.341 -0.977 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.260 5.325 -2.189 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.318 4.247 -1.178 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.365 3.456 -3.225 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.123 2.202 -0.750 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.296 0.539 -1.320 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.233 1.303 -4.075 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.435 0.051 -3.117 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.959 7.773 2.758 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.360 8.984 3.437 1.00 36.07 C ATOM 1219 C GLY A 75 -18.256 9.875 3.851 1.00 36.16 C ATOM 1220 O GLY A 75 -18.392 11.051 4.197 1.00 36.26 O ATOM 0 H GLY A 75 -19.104 6.949 3.341 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.029 9.543 2.782 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.935 8.711 4.322 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.009 9.409 3.803 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.763 10.053 4.342 1.00 36.19 C ATOM 1226 C GLY A 76 -14.777 10.081 3.132 1.00 36.20 C ATOM 1227 O GLY A 76 -15.098 10.745 2.103 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.708 9.447 3.206 1.00 0.00 O ATOM 0 H GLY A 76 -16.804 8.513 3.361 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.965 11.058 4.712 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.351 9.484 5.175 1.00 36.19 H new TER 1232 GLY A 76