USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 122:sc= 0.61 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.544 USER MOD Set 2.1: A 7 THR OG1 : rot -52:sc= 1.54 USER MOD Set 2.2: A 9 THR OG1 : rot -12:sc= 1.28 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 138:sc= 0.89 (180deg=-0.658) USER MOD Set 3.2: A 12 THR OG1 : rot 142:sc= 0.696 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.03 (180deg=-0.03) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.52 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 0.533 (180deg=-0.887!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 25 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.077) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 2.14 (180deg=1.74) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.152 K(o=-0.15,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0.845 K(o=0.85,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00745 X(o=-0.0075,f=-0.29) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.289 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=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 98:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.463 -7.249 -5.192 1.00 9.67 N ATOM 2 CA MET A 1 11.504 -7.689 -3.757 1.00 10.38 C ATOM 3 C MET A 1 10.115 -8.034 -3.203 1.00 9.62 C ATOM 4 O MET A 1 9.146 -7.582 -3.804 1.00 9.62 O ATOM 5 CB MET A 1 12.140 -6.546 -2.827 1.00 13.77 C ATOM 6 CG MET A 1 11.401 -5.141 -2.811 1.00 16.29 C ATOM 7 SD MET A 1 12.264 -3.906 -1.893 1.00 17.17 S ATOM 8 CE MET A 1 10.906 -2.723 -2.001 1.00 16.11 C ATOM 0 H1 MET A 1 12.433 -7.176 -5.560 1.00 9.67 H new ATOM 0 H2 MET A 1 10.931 -7.944 -5.753 1.00 9.67 H new ATOM 0 H3 MET A 1 10.997 -6.322 -5.258 1.00 9.67 H new ATOM 0 HA MET A 1 12.121 -8.587 -3.739 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.177 -6.922 -1.805 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.170 -6.384 -3.144 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.270 -4.796 -3.837 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.404 -5.268 -2.388 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.182 -1.804 -1.484 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.699 -2.502 -3.048 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.016 -3.148 -1.537 1.00 16.11 H new ATOM 20 N GLN A 2 9.988 -8.774 -2.085 1.00 9.27 N ATOM 21 CA GLN A 2 8.688 -9.114 -1.557 1.00 9.07 C ATOM 22 C GLN A 2 8.413 -8.137 -0.413 1.00 8.72 C ATOM 23 O GLN A 2 9.334 -7.609 0.228 1.00 8.22 O ATOM 24 CB GLN A 2 8.782 -10.538 -0.818 1.00 14.46 C ATOM 25 CG GLN A 2 9.751 -10.574 0.398 1.00 17.01 C ATOM 26 CD GLN A 2 9.799 -12.055 0.853 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.718 -12.668 0.925 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.969 -12.661 1.023 1.00 19.49 N ATOM 0 H GLN A 2 10.774 -9.137 -1.546 1.00 9.27 H new ATOM 0 HA GLN A 2 7.948 -9.103 -2.357 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.786 -10.824 -0.480 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.101 -11.288 -1.542 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.743 -10.218 0.119 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.395 -9.929 1.201 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.835 -12.126 0.957 1.00 19.49 H new ATOM 0 HE22 GLN A 2 11.001 -13.661 1.220 1.00 19.49 H new ATOM 37 N ILE A 3 7.118 -7.883 -0.094 1.00 5.87 N ATOM 38 CA ILE A 3 6.583 -6.951 0.881 1.00 5.07 C ATOM 39 C ILE A 3 5.186 -7.347 1.329 1.00 4.01 C ATOM 40 O ILE A 3 4.420 -7.913 0.564 1.00 4.61 O ATOM 41 CB ILE A 3 6.562 -5.394 0.594 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.664 -4.970 -0.539 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.970 -4.853 0.356 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.244 -3.446 -0.491 1.00 10.83 C ATOM 0 H ILE A 3 6.367 -8.383 -0.569 1.00 5.87 H new ATOM 0 HA ILE A 3 7.354 -7.061 1.644 1.00 5.07 H new ATOM 0 HB ILE A 3 6.139 -4.960 1.500 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.171 -5.167 -1.484 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.764 -5.585 -0.525 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.920 -3.782 0.162 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.583 -5.034 1.239 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.413 -5.357 -0.503 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.599 -3.220 -1.340 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.708 -3.245 0.437 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.136 -2.821 -0.537 1.00 10.83 H new ATOM 56 N PHE A 4 4.918 -7.044 2.587 1.00 4.55 N ATOM 57 CA PHE A 4 3.717 -7.635 3.253 1.00 4.68 C ATOM 58 C PHE A 4 2.619 -6.586 3.553 1.00 5.30 C ATOM 59 O PHE A 4 2.853 -5.595 4.219 1.00 5.58 O ATOM 60 CB PHE A 4 4.119 -8.333 4.538 1.00 4.83 C ATOM 61 CG PHE A 4 5.256 -9.213 4.291 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.286 -10.106 3.206 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.315 -9.344 5.248 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.411 -10.847 2.905 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.393 -10.199 5.030 1.00 10.61 C ATOM 66 CZ PHE A 4 7.433 -10.947 3.823 1.00 8.90 C ATOM 0 H PHE A 4 5.476 -6.420 3.169 1.00 4.55 H new ATOM 0 HA PHE A 4 3.295 -8.356 2.553 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.378 -7.595 5.297 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.280 -8.910 4.927 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.405 -10.215 2.591 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.276 -8.766 6.160 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.490 -11.348 1.951 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.181 -10.291 5.763 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.271 -11.599 3.624 1.00 8.90 H new ATOM 76 N VAL A 5 1.359 -6.792 3.207 1.00 4.44 N ATOM 77 CA VAL A 5 0.264 -5.842 3.325 1.00 3.87 C ATOM 78 C VAL A 5 -0.798 -6.419 4.199 1.00 4.93 C ATOM 79 O VAL A 5 -1.448 -7.443 3.855 1.00 6.84 O ATOM 80 CB VAL A 5 -0.306 -5.324 1.966 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.482 -4.360 2.327 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.752 -4.582 1.214 1.00 9.13 C ATOM 0 H VAL A 5 1.054 -7.682 2.812 1.00 4.44 H new ATOM 0 HA VAL A 5 0.675 -4.944 3.788 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.643 -6.147 1.336 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.922 -3.964 1.412 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.241 -4.906 2.888 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.104 -3.537 2.933 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.344 -4.225 0.268 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.091 -3.732 1.806 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.593 -5.247 1.018 1.00 9.13 H new ATOM 92 N LYS A 6 -1.032 -5.888 5.476 1.00 6.04 N ATOM 93 CA LYS A 6 -2.034 -6.372 6.400 1.00 6.12 C ATOM 94 C LYS A 6 -3.274 -5.543 6.261 1.00 6.57 C ATOM 95 O LYS A 6 -3.172 -4.315 6.041 1.00 5.76 O ATOM 96 CB LYS A 6 -1.550 -6.489 7.887 1.00 7.45 C ATOM 97 CG LYS A 6 -0.600 -7.667 8.011 1.00 11.12 C ATOM 98 CD LYS A 6 -0.273 -7.976 9.505 1.00 14.54 C ATOM 99 CE LYS A 6 0.791 -9.077 9.668 1.00 18.84 C ATOM 100 NZ LYS A 6 0.530 -10.456 9.070 1.00 20.55 N ATOM 0 H LYS A 6 -0.496 -5.104 5.847 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.254 -7.404 6.125 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.051 -5.570 8.193 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.404 -6.624 8.551 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.044 -8.546 7.544 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.322 -7.452 7.472 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.076 -7.065 9.992 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.186 -8.281 10.016 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.720 -8.703 9.237 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.966 -9.210 10.736 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.399 -10.809 8.620 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.238 -11.111 9.823 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.225 -10.388 8.358 1.00 20.55 H new ATOM 114 N THR A 7 -4.427 -6.132 6.337 1.00 7.41 N ATOM 115 CA THR A 7 -5.687 -5.489 6.129 1.00 7.48 C ATOM 116 C THR A 7 -6.542 -5.660 7.397 1.00 8.75 C ATOM 117 O THR A 7 -6.095 -6.287 8.369 1.00 8.58 O ATOM 118 CB THR A 7 -6.543 -5.963 4.942 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.088 -7.274 5.215 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.682 -6.190 3.652 1.00 9.17 C ATOM 0 H THR A 7 -4.519 -7.124 6.557 1.00 7.41 H new ATOM 0 HA THR A 7 -5.414 -4.460 5.895 1.00 7.48 H new ATOM 0 HB THR A 7 -7.299 -5.191 4.799 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.365 -7.880 5.480 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.326 -6.524 2.839 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.196 -5.256 3.370 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.924 -6.948 3.849 1.00 9.17 H new ATOM 128 N LEU A 8 -7.763 -5.121 7.463 1.00 9.84 N ATOM 129 CA LEU A 8 -8.697 -5.447 8.597 1.00 14.15 C ATOM 130 C LEU A 8 -9.694 -6.352 7.943 1.00 17.37 C ATOM 131 O LEU A 8 -10.722 -6.657 8.549 1.00 17.01 O ATOM 132 CB LEU A 8 -9.332 -4.226 9.211 1.00 16.63 C ATOM 133 CG LEU A 8 -8.327 -3.356 10.033 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.842 -1.979 10.040 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.891 -3.965 11.392 1.00 18.59 C ATOM 0 H LEU A 8 -8.141 -4.471 6.774 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.191 -5.905 9.447 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.769 -3.616 8.421 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.149 -4.538 9.862 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.351 -3.339 9.547 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.165 -1.340 10.606 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.915 -1.613 9.016 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.829 -1.962 10.503 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.194 -3.288 11.887 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.767 -4.110 12.024 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.405 -4.925 11.221 1.00 18.59 H new ATOM 147 N THR A 9 -9.551 -6.718 6.653 1.00 18.33 N ATOM 148 CA THR A 9 -10.514 -7.383 5.799 1.00 19.24 C ATOM 149 C THR A 9 -10.377 -8.896 5.869 1.00 19.48 C ATOM 150 O THR A 9 -11.112 -9.669 5.175 1.00 23.14 O ATOM 151 CB THR A 9 -10.469 -6.944 4.343 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.264 -7.135 3.690 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.696 -5.458 4.246 1.00 19.70 C ATOM 0 H THR A 9 -8.680 -6.533 6.155 1.00 18.33 H new ATOM 0 HA THR A 9 -11.482 -7.078 6.196 1.00 19.24 H new ATOM 0 HB THR A 9 -11.234 -7.565 3.877 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.569 -7.359 4.344 1.00 20.24 H new ATOM 0 HG21 THR A 9 -10.662 -5.152 3.200 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.671 -5.211 4.665 1.00 19.70 H new ATOM 0 HG23 THR A 9 -9.919 -4.934 4.802 1.00 19.70 H new ATOM 161 N GLY A 10 -9.416 -9.401 6.701 1.00 19.43 N ATOM 162 CA GLY A 10 -9.195 -10.751 6.983 1.00 18.74 C ATOM 163 C GLY A 10 -8.093 -11.329 6.139 1.00 17.62 C ATOM 164 O GLY A 10 -8.178 -12.430 5.624 1.00 19.74 O ATOM 0 H GLY A 10 -8.764 -8.792 7.195 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.942 -10.865 8.037 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -10.114 -11.312 6.813 1.00 18.74 H new ATOM 168 N LYS A 11 -7.036 -10.547 5.909 1.00 13.56 N ATOM 169 CA LYS A 11 -6.000 -10.870 4.962 1.00 11.91 C ATOM 170 C LYS A 11 -4.683 -10.256 5.377 1.00 10.18 C ATOM 171 O LYS A 11 -4.577 -9.212 6.039 1.00 9.10 O ATOM 172 CB LYS A 11 -6.305 -10.543 3.438 1.00 13.43 C ATOM 173 CG LYS A 11 -7.617 -11.093 2.816 1.00 16.69 C ATOM 174 CD LYS A 11 -7.657 -11.038 1.237 1.00 17.92 C ATOM 175 CE LYS A 11 -9.009 -11.468 0.635 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.034 -11.434 -0.860 1.00 21.93 N ATOM 0 H LYS A 11 -6.886 -9.660 6.390 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.948 -11.958 4.998 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.313 -9.459 3.326 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.472 -10.919 2.844 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.753 -12.126 3.136 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.459 -10.524 3.210 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.432 -10.022 0.912 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.872 -11.681 0.840 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.243 -12.478 0.972 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.793 -10.815 1.019 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.584 -12.242 -1.216 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.474 -10.548 -1.180 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.062 -11.489 -1.225 1.00 21.93 H new ATOM 190 N THR A 12 -3.592 -10.960 5.011 1.00 9.63 N ATOM 191 CA THR A 12 -2.219 -10.453 4.850 1.00 9.85 C ATOM 192 C THR A 12 -1.849 -10.764 3.405 1.00 11.66 C ATOM 193 O THR A 12 -1.826 -11.927 2.958 1.00 12.33 O ATOM 194 CB THR A 12 -1.237 -11.113 5.781 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.542 -10.935 7.135 1.00 10.91 O ATOM 196 CG2 THR A 12 0.136 -10.576 5.579 1.00 9.63 C ATOM 0 H THR A 12 -3.653 -11.958 4.808 1.00 9.63 H new ATOM 0 HA THR A 12 -2.179 -9.390 5.088 1.00 9.85 H new ATOM 0 HB THR A 12 -1.297 -12.174 5.537 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.340 -11.758 7.627 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.825 -11.070 6.264 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.451 -10.760 4.552 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.139 -9.503 5.772 1.00 9.63 H new ATOM 204 N ILE A 13 -1.652 -9.779 2.550 1.00 10.42 N ATOM 205 CA ILE A 13 -1.377 -9.855 1.186 1.00 11.84 C ATOM 206 C ILE A 13 0.161 -9.730 1.010 1.00 10.55 C ATOM 207 O ILE A 13 0.863 -8.991 1.722 1.00 11.92 O ATOM 208 CB ILE A 13 -2.092 -8.825 0.369 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.563 -8.676 0.855 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.043 -9.183 -1.090 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.430 -7.799 0.023 1.00 16.46 C ATOM 0 H ILE A 13 -1.692 -8.809 2.863 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.743 -10.812 0.815 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.590 -7.866 0.499 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.014 -9.667 0.898 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.553 -8.286 1.873 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.568 -8.423 -1.669 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.005 -9.235 -1.417 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.521 -10.150 -1.244 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.432 -7.766 0.451 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.013 -6.792 -0.001 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.482 -8.195 -0.991 1.00 16.46 H new ATOM 223 N THR A 14 0.704 -10.470 0.101 1.00 9.39 N ATOM 224 CA THR A 14 2.143 -10.381 -0.210 1.00 9.63 C ATOM 225 C THR A 14 2.331 -9.909 -1.695 1.00 11.20 C ATOM 226 O THR A 14 1.624 -10.463 -2.578 1.00 11.63 O ATOM 227 CB THR A 14 2.902 -11.671 0.006 1.00 10.38 C ATOM 228 OG1 THR A 14 3.028 -12.157 1.338 1.00 16.30 O ATOM 229 CG2 THR A 14 4.337 -11.442 -0.486 1.00 11.66 C ATOM 0 H THR A 14 0.193 -11.154 -0.457 1.00 9.39 H new ATOM 0 HA THR A 14 2.561 -9.657 0.490 1.00 9.63 H new ATOM 0 HB THR A 14 2.313 -12.417 -0.527 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.537 -12.994 1.334 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.919 -12.353 -0.347 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.321 -11.179 -1.544 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.791 -10.631 0.083 1.00 11.66 H new ATOM 237 N LEU A 15 3.097 -8.828 -1.888 1.00 8.29 N ATOM 238 CA LEU A 15 3.300 -8.183 -3.163 1.00 9.03 C ATOM 239 C LEU A 15 4.731 -8.296 -3.568 1.00 8.59 C ATOM 240 O LEU A 15 5.607 -8.597 -2.798 1.00 7.79 O ATOM 241 CB LEU A 15 2.907 -6.700 -3.140 1.00 11.08 C ATOM 242 CG LEU A 15 1.484 -6.388 -2.687 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.279 -4.869 -2.420 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.550 -6.877 -3.719 1.00 15.27 C ATOM 0 H LEU A 15 3.603 -8.374 -1.127 1.00 8.29 H new ATOM 0 HA LEU A 15 2.656 -8.691 -3.881 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.599 -6.172 -2.484 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.045 -6.293 -4.142 1.00 11.08 H new ATOM 0 HG LEU A 15 1.291 -6.893 -1.741 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.252 -4.691 -2.100 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.965 -4.541 -1.639 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.476 -4.309 -3.334 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.474 -6.663 -3.413 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.758 -6.377 -4.665 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.675 -7.953 -3.842 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.207 -4.902 1.00 11.04 N ATOM 257 CA GLU A 16 6.199 -8.208 -5.588 1.00 11.50 C ATOM 258 C GLU A 16 6.396 -6.837 -6.188 1.00 10.13 C ATOM 259 O GLU A 16 5.619 -6.326 -6.991 1.00 9.83 O ATOM 260 CB GLU A 16 6.193 -9.264 -6.669 1.00 17.22 C ATOM 261 CG GLU A 16 7.511 -9.460 -7.352 1.00 23.33 C ATOM 262 CD GLU A 16 8.666 -9.669 -6.438 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.876 -10.808 -5.933 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.461 -8.746 -6.211 1.00 28.90 O ATOM 0 H GLU A 16 4.146 -8.128 -5.550 1.00 11.04 H new ATOM 0 HA GLU A 16 7.013 -8.435 -4.899 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.880 -10.212 -6.232 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.447 -8.996 -7.417 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.434 -10.319 -8.019 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.713 -8.589 -7.976 1.00 23.33 H new ATOM 271 N VAL A 17 7.470 -6.150 -5.715 1.00 8.99 N ATOM 272 CA VAL A 17 7.625 -4.709 -5.915 1.00 8.85 C ATOM 273 C VAL A 17 9.052 -4.385 -6.192 1.00 8.04 C ATOM 274 O VAL A 17 9.964 -5.139 -5.858 1.00 8.99 O ATOM 275 CB VAL A 17 7.187 -3.914 -4.677 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.689 -4.185 -4.344 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.034 -4.322 -3.443 1.00 10.54 C ATOM 0 H VAL A 17 8.233 -6.583 -5.195 1.00 8.99 H new ATOM 0 HA VAL A 17 6.993 -4.431 -6.759 1.00 8.85 H new ATOM 0 HB VAL A 17 7.331 -2.857 -4.901 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.402 -3.611 -3.463 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.069 -3.887 -5.189 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.547 -5.247 -4.146 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.710 -3.749 -2.574 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.901 -5.386 -3.246 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.086 -4.118 -3.641 1.00 10.54 H new ATOM 287 N GLU A 18 9.289 -3.180 -6.666 1.00 7.29 N ATOM 288 CA GLU A 18 10.578 -2.588 -6.649 1.00 7.08 C ATOM 289 C GLU A 18 10.630 -1.287 -5.791 1.00 6.45 C ATOM 290 O GLU A 18 9.560 -0.737 -5.578 1.00 5.28 O ATOM 291 CB GLU A 18 11.075 -2.288 -8.097 1.00 10.28 C ATOM 292 CG GLU A 18 11.089 -3.610 -8.945 1.00 12.65 C ATOM 293 CD GLU A 18 11.970 -3.357 -10.170 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.198 -3.156 -10.014 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.487 -3.489 -11.343 1.00 14.33 O ATOM 0 H GLU A 18 8.568 -2.587 -7.078 1.00 7.29 H new ATOM 0 HA GLU A 18 11.243 -3.316 -6.183 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.425 -1.551 -8.568 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.075 -1.856 -8.065 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.479 -4.440 -8.356 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.078 -3.882 -9.249 1.00 12.65 H new ATOM 302 N PRO A 19 11.733 -0.708 -5.316 1.00 7.24 N ATOM 303 CA PRO A 19 11.681 0.609 -4.718 1.00 7.07 C ATOM 304 C PRO A 19 11.047 1.729 -5.536 1.00 6.65 C ATOM 305 O PRO A 19 10.509 2.681 -4.972 1.00 6.37 O ATOM 306 CB PRO A 19 13.206 0.890 -4.402 1.00 7.61 C ATOM 307 CG PRO A 19 13.865 -0.498 -4.376 1.00 8.16 C ATOM 308 CD PRO A 19 13.031 -1.286 -5.334 1.00 7.49 C ATOM 0 HA PRO A 19 11.011 0.607 -3.858 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.656 1.527 -5.163 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.324 1.402 -3.447 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.908 -0.455 -4.690 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.851 -0.933 -3.377 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.456 -1.251 -6.337 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.992 -2.335 -5.041 1.00 7.49 H new ATOM 316 N SER A 20 11.122 1.602 -6.860 1.00 6.80 N ATOM 317 CA SER A 20 10.801 2.661 -7.805 1.00 6.28 C ATOM 318 C SER A 20 9.340 2.898 -8.049 1.00 8.45 C ATOM 319 O SER A 20 8.934 3.885 -8.697 1.00 7.26 O ATOM 320 CB SER A 20 11.532 2.475 -9.091 1.00 8.57 C ATOM 321 OG SER A 20 11.135 1.251 -9.680 1.00 11.13 O ATOM 0 H SER A 20 11.415 0.736 -7.313 1.00 6.80 H new ATOM 0 HA SER A 20 11.145 3.571 -7.313 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.319 3.303 -9.767 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.608 2.475 -8.915 1.00 8.57 H new ATOM 0 HG SER A 20 11.612 1.126 -10.527 1.00 11.13 H new ATOM 327 N ASP A 21 8.499 1.931 -7.543 1.00 7.50 N ATOM 328 CA ASP A 21 7.067 1.923 -7.684 1.00 7.70 C ATOM 329 C ASP A 21 6.429 2.934 -6.856 1.00 7.08 C ATOM 330 O ASP A 21 6.823 3.219 -5.729 1.00 8.11 O ATOM 331 CB ASP A 21 6.546 0.550 -7.236 1.00 11.00 C ATOM 332 CG ASP A 21 6.904 -0.610 -8.205 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.635 -0.344 -9.404 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.287 -1.707 -7.777 1.00 14.36 O ATOM 0 H ASP A 21 8.848 1.130 -7.017 1.00 7.50 H new ATOM 0 HA ASP A 21 6.831 2.133 -8.727 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.951 0.324 -6.250 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.462 0.601 -7.132 1.00 11.00 H new ATOM 339 N THR A 22 5.263 3.523 -7.345 1.00 5.37 N ATOM 340 CA THR A 22 4.646 4.535 -6.559 1.00 6.01 C ATOM 341 C THR A 22 3.622 3.881 -5.656 1.00 8.01 C ATOM 342 O THR A 22 3.307 2.687 -5.828 1.00 8.11 O ATOM 343 CB THR A 22 3.914 5.541 -7.502 1.00 8.92 C ATOM 344 OG1 THR A 22 3.120 4.845 -8.515 1.00 10.22 O ATOM 345 CG2 THR A 22 4.880 6.503 -8.173 1.00 9.65 C ATOM 0 H THR A 22 4.803 3.295 -8.226 1.00 5.37 H new ATOM 0 HA THR A 22 5.396 5.061 -5.968 1.00 6.01 H new ATOM 0 HB THR A 22 3.243 6.122 -6.869 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.673 5.502 -9.088 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.326 7.184 -8.819 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.410 7.076 -7.412 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.598 5.940 -8.770 1.00 9.65 H new ATOM 353 N ILE A 23 3.116 4.589 -4.655 1.00 8.32 N ATOM 354 CA ILE A 23 2.225 4.143 -3.671 1.00 9.92 C ATOM 355 C ILE A 23 0.929 3.736 -4.357 1.00 10.01 C ATOM 356 O ILE A 23 0.280 2.720 -4.025 1.00 8.71 O ATOM 357 CB ILE A 23 2.014 5.256 -2.664 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.326 5.638 -2.008 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.046 4.708 -1.557 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.337 4.548 -1.557 1.00 12.30 C ATOM 0 H ILE A 23 3.360 5.571 -4.528 1.00 8.32 H new ATOM 0 HA ILE A 23 2.615 3.279 -3.133 1.00 9.92 H new ATOM 0 HB ILE A 23 1.605 6.134 -3.164 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.851 6.295 -2.701 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.083 6.233 -1.128 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.870 5.483 -0.812 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.098 4.420 -2.012 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.497 3.839 -1.077 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.211 5.024 -1.112 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.865 3.896 -0.822 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.646 3.959 -2.420 1.00 12.30 H new ATOM 372 N GLU A 24 0.549 4.497 -5.341 1.00 9.54 N ATOM 373 CA GLU A 24 -0.525 4.173 -6.266 1.00 11.81 C ATOM 374 C GLU A 24 -0.446 2.878 -6.960 1.00 11.14 C ATOM 375 O GLU A 24 -1.343 2.079 -6.961 1.00 10.62 O ATOM 376 CB GLU A 24 -0.654 5.250 -7.355 1.00 19.24 C ATOM 377 CG GLU A 24 -1.845 5.028 -8.378 1.00 27.76 C ATOM 378 CD GLU A 24 -1.977 6.304 -9.152 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.078 6.716 -9.913 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.057 6.882 -9.057 1.00 36.51 O ATOM 0 H GLU A 24 0.988 5.396 -5.538 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.388 4.120 -5.603 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.785 6.219 -6.873 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.281 5.295 -7.913 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.636 4.190 -9.043 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.771 4.794 -7.852 1.00 27.76 H new ATOM 387 N ASN A 25 0.720 2.617 -7.548 1.00 9.43 N ATOM 388 CA ASN A 25 1.072 1.366 -8.147 1.00 10.96 C ATOM 389 C ASN A 25 1.068 0.197 -7.218 1.00 9.68 C ATOM 390 O ASN A 25 0.623 -0.885 -7.582 1.00 9.33 O ATOM 391 CB ASN A 25 2.406 1.478 -8.959 1.00 16.78 C ATOM 392 CG ASN A 25 2.431 0.294 -10.026 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.573 0.147 -10.862 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.526 -0.556 -9.909 1.00 24.70 N ATOM 0 H ASN A 25 1.464 3.311 -7.614 1.00 9.43 H new ATOM 0 HA ASN A 25 0.264 1.148 -8.846 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.468 2.444 -9.460 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.265 1.409 -8.292 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.629 -1.345 -10.547 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.225 -0.390 -9.185 1.00 24.70 H new ATOM 401 N VAL A 26 1.593 0.363 -5.981 1.00 6.52 N ATOM 402 CA VAL A 26 1.650 -0.592 -4.867 1.00 5.53 C ATOM 403 C VAL A 26 0.146 -0.988 -4.618 1.00 4.42 C ATOM 404 O VAL A 26 -0.238 -2.153 -4.466 1.00 3.40 O ATOM 405 CB VAL A 26 2.364 -0.137 -3.607 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.403 -1.237 -2.548 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.782 0.258 -3.867 1.00 8.12 C ATOM 0 H VAL A 26 2.024 1.251 -5.722 1.00 6.52 H new ATOM 0 HA VAL A 26 2.282 -1.436 -5.144 1.00 5.53 H new ATOM 0 HB VAL A 26 1.792 0.721 -3.254 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.922 -0.871 -1.662 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.385 -1.521 -2.281 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.929 -2.105 -2.944 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.248 0.575 -2.934 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.328 -0.593 -4.274 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.805 1.080 -4.582 1.00 8.12 H new ATOM 417 N LYS A 27 -0.744 0.065 -4.614 1.00 2.64 N ATOM 418 CA LYS A 27 -2.166 -0.210 -4.533 1.00 4.14 C ATOM 419 C LYS A 27 -2.777 -0.838 -5.791 1.00 5.58 C ATOM 420 O LYS A 27 -3.768 -1.563 -5.785 1.00 4.11 O ATOM 421 CB LYS A 27 -2.939 1.056 -4.137 1.00 3.97 C ATOM 422 CG LYS A 27 -2.572 1.587 -2.773 1.00 7.45 C ATOM 423 CD LYS A 27 -3.264 2.903 -2.529 1.00 9.02 C ATOM 424 CE LYS A 27 -2.906 4.213 -3.289 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.852 5.251 -2.951 1.00 15.47 N ATOM 0 H LYS A 27 -0.488 1.051 -4.664 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.264 -0.969 -3.757 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.755 1.831 -4.881 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.007 0.841 -4.158 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.858 0.868 -2.005 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.492 1.716 -2.702 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.326 2.728 -2.701 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.145 3.121 -1.468 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.896 4.530 -3.029 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.917 4.035 -4.364 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.760 6.038 -3.625 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.818 4.868 -2.996 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.660 5.595 -1.989 1.00 15.47 H new ATOM 439 N ALA A 28 -2.222 -0.526 -6.990 1.00 6.61 N ATOM 440 CA ALA A 28 -2.656 -1.154 -8.236 1.00 7.74 C ATOM 441 C ALA A 28 -2.426 -2.619 -8.286 1.00 9.17 C ATOM 442 O ALA A 28 -3.224 -3.388 -8.804 1.00 11.45 O ATOM 443 CB ALA A 28 -1.963 -0.541 -9.467 1.00 7.68 C ATOM 0 H ALA A 28 -1.474 0.158 -7.106 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.729 -0.964 -8.259 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.317 -1.039 -10.370 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.197 0.522 -9.524 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.884 -0.671 -9.380 1.00 7.68 H new ATOM 449 N LYS A 29 -1.305 -3.105 -7.681 1.00 8.96 N ATOM 450 CA LYS A 29 -0.945 -4.451 -7.525 1.00 7.90 C ATOM 451 C LYS A 29 -1.889 -5.167 -6.607 1.00 6.92 C ATOM 452 O LYS A 29 -2.151 -6.337 -6.799 1.00 6.87 O ATOM 453 CB LYS A 29 0.460 -4.538 -7.004 1.00 10.28 C ATOM 454 CG LYS A 29 1.543 -4.068 -8.052 1.00 14.94 C ATOM 455 CD LYS A 29 2.880 -4.182 -7.321 1.00 19.69 C ATOM 456 CE LYS A 29 4.095 -3.542 -8.057 1.00 22.63 C ATOM 457 NZ LYS A 29 4.360 -4.346 -9.250 1.00 24.98 N ATOM 0 H LYS A 29 -0.610 -2.478 -7.276 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.002 -4.938 -8.498 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.545 -3.928 -6.105 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.669 -5.567 -6.712 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.527 -4.695 -8.944 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.358 -3.045 -8.378 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.781 -3.714 -6.341 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.094 -5.237 -7.150 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.877 -2.510 -8.331 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.970 -3.521 -7.407 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.168 -3.945 -9.767 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.579 -5.323 -8.969 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.521 -4.343 -9.864 1.00 24.98 H new ATOM 471 N ILE A 30 -2.476 -4.495 -5.616 1.00 4.57 N ATOM 472 CA ILE A 30 -3.565 -5.036 -4.764 1.00 5.58 C ATOM 473 C ILE A 30 -4.873 -5.095 -5.545 1.00 7.26 C ATOM 474 O ILE A 30 -5.585 -6.070 -5.428 1.00 9.46 O ATOM 475 CB ILE A 30 -3.721 -4.138 -3.526 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.357 -4.103 -2.678 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.898 -4.509 -2.620 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.264 -3.063 -1.577 1.00 2.00 C ATOM 0 H ILE A 30 -2.212 -3.541 -5.369 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.313 -6.049 -4.451 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.945 -3.144 -3.914 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.210 -5.086 -2.231 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.531 -3.941 -3.370 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.934 -3.825 -1.772 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.828 -4.437 -3.184 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.771 -5.529 -2.258 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.297 -3.143 -1.081 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.370 -2.067 -2.007 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.059 -3.230 -0.850 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -4.049 -6.388 1.00 7.06 N ATOM 491 CA GLN A 31 -6.444 -3.951 -7.108 1.00 8.67 C ATOM 492 C GLN A 31 -6.761 -5.094 -8.072 1.00 10.90 C ATOM 493 O GLN A 31 -7.843 -5.589 -8.162 1.00 9.63 O ATOM 494 CB GLN A 31 -6.437 -2.624 -7.948 1.00 9.12 C ATOM 495 CG GLN A 31 -7.691 -2.466 -8.778 1.00 10.76 C ATOM 496 CD GLN A 31 -7.612 -1.108 -9.479 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.630 -0.650 -10.023 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.801 -0.476 -9.647 1.00 14.76 N ATOM 0 H GLN A 31 -4.592 -3.258 -6.555 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.212 -3.984 -6.336 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.338 -1.771 -7.276 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.566 -2.616 -8.604 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.771 -3.271 -9.509 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.578 -2.520 -8.147 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.641 -0.842 -9.199 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.855 0.365 -10.221 1.00 14.76 H new ATOM 507 N ASP A 32 -5.666 -5.617 -8.721 1.00 10.93 N ATOM 508 CA ASP A 32 -5.596 -6.788 -9.522 1.00 14.01 C ATOM 509 C ASP A 32 -6.082 -8.018 -8.839 1.00 14.04 C ATOM 510 O ASP A 32 -6.924 -8.750 -9.346 1.00 13.39 O ATOM 511 CB ASP A 32 -4.141 -7.196 -10.009 1.00 18.01 C ATOM 512 CG ASP A 32 -3.685 -6.272 -11.116 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.459 -5.878 -12.021 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.414 -6.091 -11.213 1.00 26.29 O ATOM 0 H ASP A 32 -4.759 -5.155 -8.661 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.227 -6.486 -10.358 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.443 -7.148 -9.174 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.143 -8.227 -10.363 1.00 18.01 H new ATOM 519 N LYS A 33 -5.735 -8.222 -7.530 1.00 14.22 N ATOM 520 CA LYS A 33 -6.305 -9.186 -6.698 1.00 14.00 C ATOM 521 C LYS A 33 -7.668 -8.829 -6.202 1.00 12.37 C ATOM 522 O LYS A 33 -8.573 -9.686 -6.216 1.00 12.17 O ATOM 523 CB LYS A 33 -5.353 -9.430 -5.409 1.00 18.62 C ATOM 524 CG LYS A 33 -3.897 -9.741 -5.767 1.00 24.00 C ATOM 525 CD LYS A 33 -3.015 -10.056 -4.575 1.00 27.61 C ATOM 526 CE LYS A 33 -1.465 -9.896 -4.818 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.947 -10.813 -5.847 1.00 30.06 N ATOM 0 H LYS A 33 -5.017 -7.668 -7.063 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.401 -10.083 -7.309 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -5.380 -8.543 -4.776 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.757 -10.254 -4.821 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.877 -10.588 -6.453 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.476 -8.889 -6.300 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.305 -9.407 -3.749 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.212 -11.081 -4.260 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.253 -8.869 -5.115 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.936 -10.073 -3.882 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.075 -10.662 -5.963 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.121 -11.796 -5.555 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.429 -10.629 -6.750 1.00 30.06 H new ATOM 541 N GLU A 34 -7.785 -7.619 -5.537 1.00 10.11 N ATOM 542 CA GLU A 34 -8.885 -7.422 -4.631 1.00 10.07 C ATOM 543 C GLU A 34 -10.139 -6.709 -5.225 1.00 9.32 C ATOM 544 O GLU A 34 -11.227 -6.694 -4.649 1.00 11.61 O ATOM 545 CB GLU A 34 -8.449 -6.627 -3.392 1.00 14.77 C ATOM 546 CG GLU A 34 -7.407 -7.335 -2.454 1.00 18.75 C ATOM 547 CD GLU A 34 -7.956 -8.618 -1.892 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.978 -8.644 -1.143 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.294 -9.623 -2.288 1.00 25.19 O ATOM 0 H GLU A 34 -7.145 -6.830 -5.632 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.183 -8.441 -4.383 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.025 -5.679 -3.723 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.336 -6.392 -2.805 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.494 -7.542 -3.013 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.136 -6.665 -1.638 1.00 18.75 H new ATOM 556 N GLY A 35 -10.032 -6.090 -6.418 1.00 7.22 N ATOM 557 CA GLY A 35 -11.056 -5.297 -7.048 1.00 6.29 C ATOM 558 C GLY A 35 -11.402 -4.027 -6.303 1.00 6.93 C ATOM 559 O GLY A 35 -12.541 -3.676 -6.146 1.00 7.41 O ATOM 0 H GLY A 35 -9.181 -6.145 -6.978 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.730 -5.037 -8.055 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.957 -5.902 -7.150 1.00 6.29 H new ATOM 563 N ILE A 36 -10.386 -3.298 -5.738 1.00 5.86 N ATOM 564 CA ILE A 36 -10.560 -2.090 -4.946 1.00 6.07 C ATOM 565 C ILE A 36 -9.871 -0.963 -5.634 1.00 6.36 C ATOM 566 O ILE A 36 -8.730 -1.106 -5.946 1.00 6.18 O ATOM 567 CB ILE A 36 -10.077 -2.202 -3.547 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.517 -3.427 -2.760 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.505 -0.910 -2.795 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.735 -3.694 -1.483 1.00 9.49 C ATOM 0 H ILE A 36 -9.407 -3.564 -5.840 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.633 -1.914 -4.871 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.996 -2.325 -3.618 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.571 -3.315 -2.505 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.436 -4.302 -3.406 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.164 -0.961 -1.761 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.060 -0.042 -3.281 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.591 -0.820 -2.815 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.126 -4.588 -0.997 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.683 -3.844 -1.725 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.835 -2.842 -0.810 1.00 9.49 H new ATOM 582 N PRO A 37 -10.489 0.200 -5.881 1.00 8.65 N ATOM 583 CA PRO A 37 -9.786 1.389 -6.318 1.00 9.18 C ATOM 584 C PRO A 37 -8.559 1.881 -5.520 1.00 9.85 C ATOM 585 O PRO A 37 -8.801 1.953 -4.310 1.00 8.51 O ATOM 586 CB PRO A 37 -10.928 2.397 -6.284 1.00 11.42 C ATOM 587 CG PRO A 37 -12.176 1.676 -6.754 1.00 9.27 C ATOM 588 CD PRO A 37 -11.981 0.353 -5.995 1.00 8.33 C ATOM 0 HA PRO A 37 -9.287 1.208 -7.270 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.066 2.788 -5.276 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.709 3.248 -6.929 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.093 2.193 -6.473 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.204 1.542 -7.835 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.453 0.386 -5.013 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.426 -0.483 -6.535 1.00 8.33 H new ATOM 596 N PRO A 38 -7.425 2.282 -6.082 1.00 8.71 N ATOM 597 CA PRO A 38 -6.397 3.023 -5.423 1.00 9.08 C ATOM 598 C PRO A 38 -6.850 4.301 -4.762 1.00 9.28 C ATOM 599 O PRO A 38 -6.228 4.702 -3.760 1.00 6.50 O ATOM 600 CB PRO A 38 -5.353 3.229 -6.479 1.00 10.31 C ATOM 601 CG PRO A 38 -5.440 2.000 -7.333 1.00 10.81 C ATOM 602 CD PRO A 38 -6.954 1.676 -7.353 1.00 12.00 C ATOM 0 HA PRO A 38 -6.015 2.473 -4.563 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.547 4.131 -7.059 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.361 3.339 -6.041 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.056 2.181 -8.337 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.860 1.178 -6.913 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.451 2.111 -8.220 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.140 0.602 -7.385 1.00 12.00 H new ATOM 610 N ASP A 39 -8.006 4.860 -5.131 1.00 11.20 N ATOM 611 CA ASP A 39 -8.491 6.050 -4.462 1.00 14.96 C ATOM 612 C ASP A 39 -8.941 5.787 -3.069 1.00 13.99 C ATOM 613 O ASP A 39 -8.735 6.555 -2.156 1.00 13.75 O ATOM 614 CB ASP A 39 -9.583 6.768 -5.284 1.00 24.16 C ATOM 615 CG ASP A 39 -8.975 7.130 -6.656 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.914 6.252 -7.577 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.591 8.339 -6.866 1.00 34.22 O ATOM 0 H ASP A 39 -8.607 4.509 -5.876 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.638 6.724 -4.389 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.453 6.124 -5.409 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.923 7.666 -4.767 1.00 24.16 H new ATOM 622 N GLN A 40 -9.680 4.634 -2.944 1.00 11.60 N ATOM 623 CA GLN A 40 -10.194 4.173 -1.638 1.00 10.76 C ATOM 624 C GLN A 40 -9.085 3.554 -0.764 1.00 8.01 C ATOM 625 O GLN A 40 -8.968 3.911 0.432 1.00 8.96 O ATOM 626 CB GLN A 40 -11.259 3.120 -1.962 1.00 11.14 C ATOM 627 CG GLN A 40 -11.933 2.474 -0.749 1.00 14.85 C ATOM 628 CD GLN A 40 -12.926 1.355 -1.040 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.708 0.171 -0.883 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.192 1.806 -1.299 1.00 18.16 N ATOM 0 H GLN A 40 -9.921 4.027 -3.727 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.596 5.011 -1.068 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.028 3.584 -2.580 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.799 2.335 -2.562 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.155 2.079 -0.096 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.451 3.254 -0.191 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.361 2.803 -1.429 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.966 1.145 -1.362 1.00 18.16 H new ATOM 639 N GLN A 41 -8.211 2.735 -1.403 1.00 6.52 N ATOM 640 CA GLN A 41 -7.131 2.088 -0.714 1.00 3.87 C ATOM 641 C GLN A 41 -6.138 3.095 -0.131 1.00 4.79 C ATOM 642 O GLN A 41 -5.476 3.914 -0.748 1.00 6.34 O ATOM 643 CB GLN A 41 -6.334 1.155 -1.638 1.00 4.20 C ATOM 644 CG GLN A 41 -7.056 -0.116 -2.129 1.00 3.20 C ATOM 645 CD GLN A 41 -6.067 -0.857 -3.032 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.968 -1.267 -2.678 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.362 -1.005 -4.344 1.00 7.13 N ATOM 0 H GLN A 41 -8.257 2.524 -2.400 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.604 1.516 0.084 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.021 1.727 -2.511 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.428 0.851 -1.115 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.356 -0.741 -1.288 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.963 0.140 -2.676 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.261 -0.685 -4.704 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.685 -1.437 -4.973 1.00 7.13 H new ATOM 656 N ARG A 42 -5.906 2.966 1.189 1.00 5.73 N ATOM 657 CA ARG A 42 -4.938 3.802 1.855 1.00 6.97 C ATOM 658 C ARG A 42 -3.944 2.961 2.666 1.00 7.15 C ATOM 659 O ARG A 42 -4.243 2.147 3.519 1.00 7.33 O ATOM 660 CB ARG A 42 -5.637 4.852 2.755 1.00 13.23 C ATOM 661 CG ARG A 42 -6.257 6.004 1.909 1.00 21.27 C ATOM 662 CD ARG A 42 -7.374 6.747 2.664 1.00 26.14 C ATOM 663 NE ARG A 42 -7.719 7.969 1.816 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.350 9.082 2.348 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.907 8.986 3.524 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.380 10.181 1.648 1.00 36.39 N ATOM 0 H ARG A 42 -6.379 2.294 1.794 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.376 4.335 1.088 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.418 4.368 3.341 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.917 5.265 3.462 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.475 6.711 1.634 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.658 5.595 0.981 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.246 6.107 2.798 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.041 7.044 3.658 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.477 7.966 0.825 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.873 8.103 4.034 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.377 9.794 3.933 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.944 10.211 0.726 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.840 11.011 2.022 1.00 36.39 H new ATOM 680 N LEU A 43 -2.729 3.115 2.278 1.00 4.65 N ATOM 681 CA LEU A 43 -1.535 2.559 2.930 1.00 3.51 C ATOM 682 C LEU A 43 -0.911 3.345 4.076 1.00 5.56 C ATOM 683 O LEU A 43 -0.529 4.540 3.976 1.00 4.19 O ATOM 684 CB LEU A 43 -0.466 2.126 1.967 1.00 3.74 C ATOM 685 CG LEU A 43 -0.897 1.014 0.928 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.110 0.877 -0.217 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.238 -0.341 1.571 1.00 6.41 C ATOM 0 H LEU A 43 -2.497 3.662 1.449 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.979 1.686 3.408 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.122 3.001 1.415 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.385 1.755 2.538 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.833 1.367 0.496 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.226 0.102 -0.906 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.189 1.826 -0.748 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.085 0.605 0.187 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.524 -1.051 0.795 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.367 -0.720 2.105 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.065 -0.214 2.269 1.00 6.41 H new ATOM 699 N ILE A 44 -0.765 2.666 5.271 1.00 4.58 N ATOM 700 CA ILE A 44 -0.126 3.190 6.439 1.00 5.55 C ATOM 701 C ILE A 44 1.053 2.315 6.811 1.00 5.46 C ATOM 702 O ILE A 44 1.001 1.114 6.948 1.00 6.04 O ATOM 703 CB ILE A 44 -1.050 3.393 7.648 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.101 4.448 7.328 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.295 3.656 8.991 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.345 4.431 8.173 1.00 13.90 C ATOM 0 H ILE A 44 -1.114 1.717 5.403 1.00 4.58 H new ATOM 0 HA ILE A 44 0.208 4.193 6.171 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.562 2.448 7.827 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.638 5.430 7.421 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.395 4.332 6.285 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.019 3.789 9.795 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.349 2.807 9.219 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.312 4.556 8.897 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.015 5.227 7.850 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.846 3.469 8.064 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.077 4.585 9.218 1.00 13.90 H new ATOM 718 N PHE A 45 2.167 3.045 7.038 1.00 6.75 N ATOM 719 CA PHE A 45 3.409 2.547 7.571 1.00 4.70 C ATOM 720 C PHE A 45 3.892 3.546 8.558 1.00 6.34 C ATOM 721 O PHE A 45 4.067 4.681 8.162 1.00 5.45 O ATOM 722 CB PHE A 45 4.329 2.455 6.319 1.00 5.51 C ATOM 723 CG PHE A 45 5.602 1.866 6.689 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.681 0.499 6.870 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.776 2.584 6.901 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.890 -0.214 7.149 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.038 1.917 7.129 1.00 6.64 C ATOM 728 CZ PHE A 45 8.086 0.513 7.115 1.00 6.84 C ATOM 0 H PHE A 45 2.204 4.044 6.837 1.00 6.75 H new ATOM 0 HA PHE A 45 3.355 1.586 8.082 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.850 1.853 5.547 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.486 3.448 5.897 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.767 -0.071 6.796 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.743 3.663 6.895 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.880 -1.270 7.376 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.935 2.492 7.308 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.036 -0.000 7.078 1.00 6.84 H new ATOM 738 N ALA A 46 4.164 3.105 9.859 1.00 6.53 N ATOM 739 CA ALA A 46 4.793 3.906 10.890 1.00 7.15 C ATOM 740 C ALA A 46 3.955 5.194 11.235 1.00 9.00 C ATOM 741 O ALA A 46 4.459 6.300 11.601 1.00 11.15 O ATOM 742 CB ALA A 46 6.225 4.252 10.469 1.00 8.99 C ATOM 0 H ALA A 46 3.930 2.164 10.175 1.00 6.53 H new ATOM 0 HA ALA A 46 4.831 3.319 11.808 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.697 4.854 11.245 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.794 3.333 10.326 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.204 4.815 9.536 1.00 8.99 H new ATOM 748 N GLY A 47 2.601 4.969 11.196 1.00 9.35 N ATOM 749 CA GLY A 47 1.717 6.086 11.654 1.00 11.68 C ATOM 750 C GLY A 47 1.380 7.203 10.662 1.00 11.14 C ATOM 751 O GLY A 47 0.737 8.219 11.026 1.00 13.93 O ATOM 0 H GLY A 47 2.137 4.115 10.886 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.778 5.648 11.992 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.186 6.545 12.524 1.00 11.68 H new ATOM 755 N LYS A 48 2.016 7.021 9.445 1.00 10.47 N ATOM 756 CA LYS A 48 1.983 7.930 8.352 1.00 8.82 C ATOM 757 C LYS A 48 1.303 7.308 7.199 1.00 7.68 C ATOM 758 O LYS A 48 1.558 6.164 6.809 1.00 6.47 O ATOM 759 CB LYS A 48 3.389 8.239 7.941 1.00 9.74 C ATOM 760 CG LYS A 48 3.463 9.237 6.749 1.00 14.14 C ATOM 761 CD LYS A 48 4.904 9.640 6.359 1.00 16.32 C ATOM 762 CE LYS A 48 5.660 10.315 7.545 1.00 20.04 C ATOM 763 NZ LYS A 48 7.070 10.490 7.178 1.00 23.92 N ATOM 0 H LYS A 48 2.572 6.189 9.246 1.00 10.47 H new ATOM 0 HA LYS A 48 1.453 8.833 8.655 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.928 8.656 8.792 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.894 7.313 7.666 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.974 8.791 5.883 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.901 10.135 7.004 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.453 8.756 6.035 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.873 10.325 5.512 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.209 11.280 7.778 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.578 9.700 8.442 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.580 10.940 7.965 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.494 9.562 6.976 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.137 11.092 6.333 1.00 23.92 H new ATOM 777 N GLN A 49 0.341 8.012 6.578 1.00 8.89 N ATOM 778 CA GLN A 49 -0.402 7.704 5.396 1.00 7.18 C ATOM 779 C GLN A 49 0.425 8.040 4.145 1.00 8.23 C ATOM 780 O GLN A 49 0.978 9.179 4.085 1.00 9.70 O ATOM 781 CB GLN A 49 -1.819 8.301 5.406 1.00 11.67 C ATOM 782 CG GLN A 49 -2.677 7.655 4.343 1.00 15.82 C ATOM 783 CD GLN A 49 -4.170 7.862 4.585 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.822 7.087 5.235 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.726 9.061 4.219 1.00 20.67 N ATOM 0 H GLN A 49 0.050 8.913 6.957 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.580 6.629 5.371 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.274 8.155 6.386 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.767 9.376 5.235 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.411 8.065 3.369 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.463 6.587 4.309 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.185 9.727 3.668 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.681 9.287 4.498 1.00 20.67 H new ATOM 794 N LEU A 50 0.628 7.057 3.270 1.00 6.51 N ATOM 795 CA LEU A 50 1.515 7.127 2.139 1.00 7.41 C ATOM 796 C LEU A 50 0.700 7.725 1.009 1.00 8.27 C ATOM 797 O LEU A 50 -0.476 7.435 0.905 1.00 8.34 O ATOM 798 CB LEU A 50 2.179 5.736 1.753 1.00 7.13 C ATOM 799 CG LEU A 50 2.758 4.981 3.027 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.182 3.625 2.565 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.886 5.804 3.685 1.00 9.11 C ATOM 0 H LEU A 50 0.153 6.157 3.344 1.00 6.51 H new ATOM 0 HA LEU A 50 2.379 7.748 2.376 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.439 5.104 1.262 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.981 5.904 1.035 1.00 7.13 H new ATOM 0 HG LEU A 50 2.011 4.866 3.813 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.589 3.064 3.407 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.322 3.094 2.157 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.945 3.726 1.794 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.267 5.269 4.554 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.693 5.953 2.968 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.495 6.772 3.998 1.00 9.11 H new ATOM 813 N GLU A 51 1.338 8.589 0.255 1.00 9.43 N ATOM 814 CA GLU A 51 0.606 9.410 -0.689 1.00 11.90 C ATOM 815 C GLU A 51 0.963 8.963 -2.079 1.00 11.49 C ATOM 816 O GLU A 51 2.113 8.668 -2.371 1.00 9.88 O ATOM 817 CB GLU A 51 0.986 10.915 -0.396 1.00 16.56 C ATOM 818 CG GLU A 51 0.582 11.271 1.058 1.00 26.06 C ATOM 819 CD GLU A 51 0.901 12.728 1.392 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.228 13.590 0.751 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.747 13.038 2.259 1.00 33.44 O ATOM 0 H GLU A 51 2.346 8.743 0.273 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.475 9.312 -0.592 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.056 11.066 -0.536 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.477 11.574 -1.099 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.485 11.091 1.194 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.107 10.615 1.753 1.00 26.06 H new ATOM 828 N ASP A 52 -0.047 8.771 -2.920 1.00 12.71 N ATOM 829 CA ASP A 52 -0.055 8.141 -4.229 1.00 16.56 C ATOM 830 C ASP A 52 1.204 8.305 -5.136 1.00 15.83 C ATOM 831 O ASP A 52 1.885 7.356 -5.556 1.00 17.21 O ATOM 832 CB ASP A 52 -1.268 8.571 -5.065 1.00 21.05 C ATOM 833 CG ASP A 52 -2.461 8.048 -4.292 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.032 8.712 -3.398 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.998 6.914 -4.674 1.00 28.37 O ATOM 0 H ASP A 52 -0.983 9.090 -2.670 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.083 7.090 -3.940 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.310 9.654 -5.176 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.229 8.149 -6.069 1.00 21.05 H new ATOM 840 N GLY A 53 1.548 9.549 -5.458 1.00 15.00 N ATOM 841 CA GLY A 53 2.561 10.047 -6.410 1.00 11.77 C ATOM 842 C GLY A 53 3.986 9.986 -5.877 1.00 11.10 C ATOM 843 O GLY A 53 4.950 10.215 -6.630 1.00 11.25 O ATOM 0 H GLY A 53 1.072 10.332 -5.009 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.501 9.463 -7.329 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.324 11.078 -6.672 1.00 11.77 H new ATOM 847 N ARG A 54 4.223 9.632 -4.596 1.00 8.53 N ATOM 848 CA ARG A 54 5.496 9.233 -3.941 1.00 9.05 C ATOM 849 C ARG A 54 5.849 7.791 -4.289 1.00 8.96 C ATOM 850 O ARG A 54 5.005 7.007 -4.690 1.00 11.60 O ATOM 851 CB ARG A 54 5.403 9.423 -2.420 1.00 7.97 C ATOM 852 CG ARG A 54 5.283 10.881 -2.036 1.00 9.62 C ATOM 853 CD ARG A 54 6.651 11.603 -1.909 1.00 12.20 C ATOM 854 NE ARG A 54 6.359 12.974 -1.447 1.00 18.23 N ATOM 855 CZ ARG A 54 7.322 13.903 -1.372 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.624 13.607 -1.219 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.977 15.211 -1.451 1.00 23.38 N ATOM 0 H ARG A 54 3.455 9.615 -3.925 1.00 8.53 H new ATOM 0 HA ARG A 54 6.293 9.876 -4.315 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.541 8.876 -2.039 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.287 8.995 -1.947 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.677 11.396 -2.782 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.752 10.956 -1.087 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.299 11.085 -1.202 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.172 11.619 -2.866 1.00 12.20 H new ATOM 0 HE ARG A 54 5.406 13.219 -1.180 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.921 12.634 -1.154 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.315 14.356 -1.168 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.998 15.474 -1.566 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.696 15.932 -1.396 1.00 23.38 H new ATOM 871 N THR A 55 7.083 7.358 -4.117 1.00 9.05 N ATOM 872 CA THR A 55 7.542 6.027 -4.263 1.00 9.03 C ATOM 873 C THR A 55 8.008 5.372 -3.006 1.00 8.15 C ATOM 874 O THR A 55 8.289 6.098 -2.024 1.00 5.91 O ATOM 875 CB THR A 55 8.666 5.862 -5.362 1.00 11.15 C ATOM 876 OG1 THR A 55 9.844 6.579 -4.958 1.00 11.95 O ATOM 877 CG2 THR A 55 8.242 6.426 -6.680 1.00 11.71 C ATOM 0 H THR A 55 7.835 7.994 -3.851 1.00 9.05 H new ATOM 0 HA THR A 55 6.637 5.513 -4.587 1.00 9.03 H new ATOM 0 HB THR A 55 8.857 4.794 -5.465 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.602 5.960 -4.905 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.043 6.292 -7.407 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.347 5.909 -7.026 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.027 7.489 -6.569 1.00 11.71 H new ATOM 885 N LEU A 56 8.074 4.017 -2.943 1.00 6.91 N ATOM 886 CA LEU A 56 8.665 3.213 -1.857 1.00 8.29 C ATOM 887 C LEU A 56 10.038 3.645 -1.469 1.00 8.05 C ATOM 888 O LEU A 56 10.405 3.603 -0.283 1.00 10.17 O ATOM 889 CB LEU A 56 8.666 1.665 -2.075 1.00 6.60 C ATOM 890 CG LEU A 56 7.327 0.891 -2.275 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.486 -0.474 -2.802 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.449 0.878 -0.976 1.00 8.64 C ATOM 0 H LEU A 56 7.696 3.432 -3.688 1.00 6.91 H new ATOM 0 HA LEU A 56 7.974 3.419 -1.040 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.287 1.464 -2.948 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.169 1.220 -1.217 1.00 6.60 H new ATOM 0 HG LEU A 56 6.803 1.457 -3.046 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.506 -0.939 -2.910 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.978 -0.434 -3.774 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.092 -1.062 -2.113 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.527 0.328 -1.165 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.001 0.396 -0.169 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.208 1.902 -0.690 1.00 8.64 H new ATOM 904 N SER A 57 10.845 4.195 -2.437 1.00 8.92 N ATOM 905 CA SER A 57 12.128 4.787 -2.223 1.00 9.00 C ATOM 906 C SER A 57 12.088 6.181 -1.580 1.00 9.44 C ATOM 907 O SER A 57 13.052 6.576 -0.997 1.00 10.91 O ATOM 908 CB SER A 57 13.049 4.748 -3.486 1.00 10.32 C ATOM 909 OG SER A 57 12.452 5.345 -4.609 1.00 13.59 O ATOM 0 H SER A 57 10.567 4.217 -3.418 1.00 8.92 H new ATOM 0 HA SER A 57 12.591 4.139 -1.478 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.986 5.258 -3.263 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.297 3.712 -3.718 1.00 10.32 H new ATOM 0 HG SER A 57 13.067 5.297 -5.371 1.00 13.59 H new ATOM 915 N ASP A 58 10.991 6.952 -1.560 1.00 9.11 N ATOM 916 CA ASP A 58 11.016 8.273 -0.950 1.00 7.91 C ATOM 917 C ASP A 58 10.577 8.102 0.455 1.00 9.12 C ATOM 918 O ASP A 58 10.896 8.883 1.356 1.00 8.61 O ATOM 919 CB ASP A 58 9.898 9.033 -1.753 1.00 8.41 C ATOM 920 CG ASP A 58 9.987 10.490 -1.648 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.778 11.118 -0.581 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.300 11.117 -2.717 1.00 10.05 O ATOM 0 H ASP A 58 10.091 6.681 -1.956 1.00 9.11 H new ATOM 0 HA ASP A 58 11.980 8.781 -0.967 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.960 8.749 -2.803 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.921 8.710 -1.393 1.00 8.41 H new ATOM 927 N TYR A 59 9.899 6.958 0.709 1.00 7.97 N ATOM 928 CA TYR A 59 9.754 6.614 2.103 1.00 8.45 C ATOM 929 C TYR A 59 10.763 5.595 2.581 1.00 10.98 C ATOM 930 O TYR A 59 10.720 5.147 3.746 1.00 12.95 O ATOM 931 CB TYR A 59 8.315 5.978 2.325 1.00 7.94 C ATOM 932 CG TYR A 59 7.219 6.900 2.059 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.934 7.932 2.961 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.366 6.759 0.890 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.860 8.804 2.770 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.338 7.704 0.631 1.00 6.52 C ATOM 937 CZ TYR A 59 5.079 8.702 1.575 1.00 6.76 C ATOM 938 OH TYR A 59 4.021 9.550 1.244 1.00 7.63 O ATOM 0 H TYR A 59 9.486 6.323 0.025 1.00 7.97 H new ATOM 0 HA TYR A 59 9.906 7.535 2.665 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.209 5.106 1.679 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.239 5.624 3.353 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.563 8.057 3.830 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.515 5.930 0.214 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.621 9.547 3.516 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.764 7.652 -0.283 1.00 6.52 H new ATOM 0 HH TYR A 59 4.370 10.440 1.029 1.00 7.63 H new ATOM 948 N ASN A 60 11.780 5.217 1.758 1.00 12.38 N ATOM 949 CA ASN A 60 12.780 4.161 2.022 1.00 13.94 C ATOM 950 C ASN A 60 12.239 2.810 2.596 1.00 14.16 C ATOM 951 O ASN A 60 12.786 2.209 3.542 1.00 14.26 O ATOM 952 CB ASN A 60 13.888 4.728 2.991 1.00 19.23 C ATOM 953 CG ASN A 60 14.460 6.030 2.389 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.419 7.053 3.069 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.128 5.883 1.178 1.00 24.09 N ATOM 0 H ASN A 60 11.926 5.665 0.853 1.00 12.38 H new ATOM 0 HA ASN A 60 13.172 3.903 1.038 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.464 4.923 3.976 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.683 3.994 3.126 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.643 6.669 0.781 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.103 4.989 0.687 1.00 24.09 H new ATOM 962 N ILE A 61 11.155 2.204 2.011 1.00 11.08 N ATOM 963 CA ILE A 61 10.549 0.964 2.549 1.00 11.78 C ATOM 964 C ILE A 61 11.232 -0.113 1.730 1.00 13.74 C ATOM 965 O ILE A 61 11.248 -0.048 0.501 1.00 14.60 O ATOM 966 CB ILE A 61 9.007 0.815 2.329 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.132 1.927 2.983 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.469 -0.572 2.639 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.967 2.438 2.078 1.00 11.42 C ATOM 0 H ILE A 61 10.695 2.561 1.173 1.00 11.08 H new ATOM 0 HA ILE A 61 10.679 0.932 3.631 1.00 11.78 H new ATOM 0 HB ILE A 61 8.908 0.962 1.253 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.713 1.544 3.914 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.771 2.770 3.244 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.394 -0.593 2.462 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.957 -1.304 1.996 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.669 -0.815 3.682 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.407 3.210 2.607 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.377 2.853 1.157 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.302 1.608 1.837 1.00 11.42 H new ATOM 981 N GLN A 62 11.744 -1.112 2.436 1.00 13.97 N ATOM 982 CA GLN A 62 12.652 -2.137 1.947 1.00 15.52 C ATOM 983 C GLN A 62 11.985 -3.506 2.046 1.00 13.94 C ATOM 984 O GLN A 62 10.899 -3.587 2.642 1.00 12.15 O ATOM 985 CB GLN A 62 14.009 -2.094 2.699 1.00 19.53 C ATOM 986 CG GLN A 62 14.798 -0.770 2.541 1.00 26.38 C ATOM 987 CD GLN A 62 16.124 -0.954 3.154 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.402 -1.782 4.022 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.150 -0.252 2.585 1.00 32.71 N ATOM 0 H GLN A 62 11.522 -1.234 3.424 1.00 13.97 H new ATOM 0 HA GLN A 62 12.874 -1.942 0.898 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.826 -2.267 3.760 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.631 -2.916 2.344 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.898 -0.510 1.487 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.266 0.050 3.023 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.955 0.441 1.863 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.111 -0.422 2.883 1.00 32.71 H new ATOM 998 N LYS A 63 12.565 -4.563 1.436 1.00 11.73 N ATOM 999 CA LYS A 63 12.039 -5.881 1.439 1.00 11.97 C ATOM 1000 C LYS A 63 11.633 -6.469 2.789 1.00 10.41 C ATOM 1001 O LYS A 63 12.289 -6.150 3.813 1.00 9.59 O ATOM 1002 CB LYS A 63 13.150 -6.759 0.880 1.00 13.73 C ATOM 1003 CG LYS A 63 14.442 -6.781 1.770 1.00 16.98 C ATOM 1004 CD LYS A 63 15.613 -7.524 1.032 1.00 20.19 C ATOM 1005 CE LYS A 63 16.901 -7.574 1.991 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.589 -6.269 1.989 1.00 25.97 N ATOM 0 H LYS A 63 13.441 -4.484 0.920 1.00 11.73 H new ATOM 0 HA LYS A 63 11.112 -5.844 0.867 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.777 -7.777 0.771 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.412 -6.407 -0.118 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.744 -5.761 2.006 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.229 -7.278 2.717 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.306 -8.535 0.764 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.857 -7.009 0.103 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.598 -7.832 3.006 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.584 -8.354 1.654 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.420 -6.314 2.613 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.894 -6.039 1.022 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.939 -5.533 2.331 1.00 25.97 H new ATOM 1020 N GLU A 64 10.521 -7.260 2.851 1.00 10.04 N ATOM 1021 CA GLU A 64 10.022 -7.948 4.019 1.00 10.94 C ATOM 1022 C GLU A 64 9.492 -7.068 5.159 1.00 9.74 C ATOM 1023 O GLU A 64 9.823 -7.249 6.354 1.00 9.42 O ATOM 1024 CB GLU A 64 10.947 -9.053 4.645 1.00 18.31 C ATOM 1025 CG GLU A 64 11.581 -9.941 3.612 1.00 24.16 C ATOM 1026 CD GLU A 64 12.597 -10.921 4.159 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.206 -11.824 4.970 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.730 -10.786 3.676 1.00 31.72 O ATOM 0 H GLU A 64 9.939 -7.425 2.030 1.00 10.04 H new ATOM 0 HA GLU A 64 9.177 -8.445 3.542 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.729 -8.574 5.234 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.361 -9.664 5.331 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.796 -10.499 3.101 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.066 -9.315 2.863 1.00 24.16 H new ATOM 1035 N SER A 65 8.764 -6.016 4.768 1.00 6.85 N ATOM 1036 CA SER A 65 8.295 -5.001 5.690 1.00 6.90 C ATOM 1037 C SER A 65 6.782 -5.111 5.848 1.00 4.72 C ATOM 1038 O SER A 65 6.121 -5.455 4.900 1.00 3.91 O ATOM 1039 CB SER A 65 8.609 -3.575 5.321 1.00 7.28 C ATOM 1040 OG SER A 65 10.042 -3.391 5.311 1.00 10.56 O ATOM 0 H SER A 65 8.488 -5.853 3.800 1.00 6.85 H new ATOM 0 HA SER A 65 8.840 -5.208 6.611 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.193 -3.341 4.341 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.148 -2.892 6.034 1.00 7.28 H new ATOM 0 HG SER A 65 10.374 -3.456 4.391 1.00 10.56 H new ATOM 1046 N THR A 66 6.179 -4.986 7.052 1.00 4.48 N ATOM 1047 CA THR A 66 4.730 -5.039 7.158 1.00 3.80 C ATOM 1048 C THR A 66 4.198 -3.622 7.034 1.00 4.60 C ATOM 1049 O THR A 66 4.621 -2.753 7.777 1.00 5.33 O ATOM 1050 CB THR A 66 4.246 -5.641 8.535 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.496 -7.046 8.649 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.700 -5.619 8.635 1.00 3.40 C ATOM 0 H THR A 66 6.671 -4.851 7.935 1.00 4.48 H new ATOM 0 HA THR A 66 4.355 -5.688 6.366 1.00 3.80 H new ATOM 0 HB THR A 66 4.773 -5.043 9.278 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.179 -7.365 9.520 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.391 -6.039 9.592 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.345 -4.591 8.558 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.275 -6.211 7.825 1.00 3.40 H new ATOM 1060 N LEU A 67 3.337 -3.380 5.966 1.00 4.17 N ATOM 1061 CA LEU A 67 2.534 -2.133 5.762 1.00 3.85 C ATOM 1062 C LEU A 67 1.076 -2.501 6.062 1.00 3.80 C ATOM 1063 O LEU A 67 0.685 -3.678 6.014 1.00 5.54 O ATOM 1064 CB LEU A 67 2.520 -1.514 4.323 1.00 7.18 C ATOM 1065 CG LEU A 67 3.817 -1.032 3.731 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.778 -2.231 3.488 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.513 -0.305 2.437 1.00 11.66 C ATOM 0 H LEU A 67 3.192 -4.065 5.224 1.00 4.17 H new ATOM 0 HA LEU A 67 3.000 -1.388 6.407 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.105 -2.261 3.646 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.828 -0.672 4.332 1.00 7.18 H new ATOM 0 HG LEU A 67 4.314 -0.349 4.420 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.712 -1.868 3.060 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.983 -2.731 4.435 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.313 -2.936 2.799 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.442 0.052 1.993 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.018 -0.986 1.745 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.859 0.543 2.641 1.00 11.66 H new ATOM 1079 N HIS A 68 0.196 -1.482 6.316 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.152 -1.658 6.738 1.00 4.17 C ATOM 1081 C HIS A 68 -2.123 -0.985 5.807 1.00 5.32 C ATOM 1082 O HIS A 68 -1.949 0.167 5.496 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.321 -1.046 8.192 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.133 -1.235 9.164 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.072 -0.569 9.088 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.066 -1.909 10.329 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.831 -0.909 10.114 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.162 -1.714 10.918 1.00 16.30 N ATOM 0 H HIS A 68 0.456 -0.501 6.217 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.370 -2.726 6.737 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.513 0.022 8.092 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.207 -1.488 8.647 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.337 0.086 8.352 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.860 -2.514 10.740 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.847 -0.578 10.271 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.158 -1.621 5.341 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.158 -1.055 4.467 1.00 3.97 C ATOM 1098 C LEU A 69 -5.459 -0.797 5.199 1.00 5.07 C ATOM 1099 O LEU A 69 -5.987 -1.637 5.890 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.488 -2.113 3.365 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.666 -1.906 2.376 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.352 -0.713 1.511 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.768 -3.131 1.478 1.00 9.96 C ATOM 0 H LEU A 69 -3.342 -2.598 5.569 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.765 -0.120 4.068 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.587 -2.238 2.764 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.664 -3.060 3.876 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.598 -1.755 2.921 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.168 -0.549 0.807 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.231 0.170 2.139 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.429 -0.896 0.960 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.592 -3.000 0.777 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.837 -3.255 0.925 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.948 -4.016 2.089 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.043 0.401 4.964 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.238 0.923 5.591 1.00 6.26 C ATOM 1117 C VAL A 70 -8.058 1.396 4.428 1.00 9.22 C ATOM 1118 O VAL A 70 -7.565 2.002 3.448 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.925 1.972 6.691 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.435 1.345 7.984 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.053 3.196 6.313 1.00 8.54 C ATOM 0 H VAL A 70 -5.653 1.055 4.286 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.797 0.190 6.172 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.915 2.405 6.837 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.233 2.128 8.714 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.199 0.673 8.375 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.521 0.783 7.792 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.925 3.835 7.187 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.078 2.855 5.966 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.543 3.761 5.520 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.336 1.000 4.500 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.181 1.244 3.355 1.00 16.06 C ATOM 1133 C LEU A 71 -11.298 2.241 3.572 1.00 18.09 C ATOM 1134 O LEU A 71 -12.222 2.066 4.329 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.772 -0.106 2.890 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.687 -1.085 2.456 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.205 -2.516 2.346 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.096 -0.703 1.080 1.00 19.57 C ATOM 0 H LEU A 71 -9.776 0.537 5.295 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.543 1.701 2.598 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.354 -0.545 3.700 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.459 0.065 2.061 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.922 -1.030 3.231 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.394 -3.174 2.034 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.584 -2.841 3.315 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.008 -2.557 1.610 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.326 -1.423 0.802 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.887 -0.710 0.330 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.658 0.294 1.136 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.182 3.359 2.867 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.070 4.546 2.973 1.00 25.83 C ATOM 1152 C ARG A 72 -13.538 4.257 2.885 1.00 27.74 C ATOM 1153 O ARG A 72 -14.010 3.560 1.949 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.629 5.500 1.870 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.367 6.823 1.959 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.928 7.971 1.020 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.600 9.218 1.427 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.315 10.384 0.920 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.559 10.613 -0.131 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.918 11.437 1.446 1.00 35.02 N ATOM 0 H ARG A 72 -10.444 3.485 2.175 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.962 4.973 3.970 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.556 5.674 1.944 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.811 5.044 0.897 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.423 6.628 1.774 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.284 7.182 2.985 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.846 8.097 1.062 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.181 7.729 -0.012 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.325 9.166 2.142 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.132 9.834 -0.632 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.400 11.570 -0.446 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.575 11.316 2.217 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.726 12.370 1.081 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.370 4.718 3.805 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.786 4.662 3.827 1.00 30.76 C ATOM 1176 C LEU A 73 -16.468 5.243 2.615 1.00 32.18 C ATOM 1177 O LEU A 73 -16.051 6.316 2.142 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.354 5.346 5.032 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.958 4.749 6.360 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.042 5.846 7.452 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.944 3.634 6.734 1.00 29.11 C ATOM 0 H LEU A 73 -14.009 5.188 4.636 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.989 3.591 3.845 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.045 6.391 5.016 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.441 5.334 4.957 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.946 4.351 6.288 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.757 5.423 8.415 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.365 6.663 7.200 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.062 6.225 7.509 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.658 3.202 7.693 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.950 4.047 6.807 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.925 2.859 5.968 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.478 4.614 2.001 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.173 5.127 0.843 1.00 35.33 C ATOM 1195 C ARG A 74 -18.805 6.484 1.003 1.00 36.22 C ATOM 1196 O ARG A 74 -18.813 7.282 0.092 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.190 4.034 0.392 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.530 2.690 -0.041 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.602 1.680 -0.554 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.926 0.386 -0.598 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.953 0.054 -1.449 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.694 0.699 -2.584 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.153 -1.003 -1.068 1.00 41.93 N ATOM 0 H ARG A 74 -17.834 3.711 2.314 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.432 5.321 0.067 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.884 3.839 1.210 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.779 4.422 -0.439 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.797 2.877 -0.826 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.991 2.257 0.802 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.464 1.650 0.112 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.970 1.965 -1.540 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.221 -0.321 0.076 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.258 1.506 -2.852 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.932 0.387 -3.186 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.324 -1.479 -0.182 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.390 -1.309 -1.672 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.332 6.789 2.243 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.773 8.134 2.609 1.00 36.07 C ATOM 1219 C GLY A 75 -18.724 9.061 3.149 1.00 36.16 C ATOM 1220 O GLY A 75 -18.961 10.212 3.484 1.00 36.26 O ATOM 0 H GLY A 75 -19.450 6.100 2.986 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.217 8.598 1.729 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.563 8.043 3.354 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.521 8.549 3.422 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.520 9.273 4.185 1.00 36.19 C ATOM 1226 C GLY A 76 -15.200 9.533 3.406 1.00 36.20 C ATOM 1227 O GLY A 76 -15.276 10.207 2.381 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.140 9.077 3.807 1.00 0.00 O ATOM 0 H GLY A 76 -17.221 7.623 3.118 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.939 10.229 4.500 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.291 8.711 5.091 1.00 36.19 H new TER 1232 GLY A 76