USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -46:sc= 1.71 USER MOD Set 1.2: A 57 SER OG : rot -37:sc= 0.98 USER MOD Set 2.1: A 22 THR OG1 : rot -35:sc= 0.224 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.03 K(o=1.3,f=-5.4!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -145:sc= 0.835 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.733 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.208 (180deg=-0.371) USER MOD Single : A 1 MET N :NH3+ 165:sc= 2.02 (180deg=1.57) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.918 (180deg=0.554) 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 27 LYS NZ :NH3+ -108:sc= 1.03 (180deg=0.0289) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0.0482 K(o=0.048,f=-3.7!) 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=-0.097) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.765 USER MOD Single : A 60 ASN : amide:sc= -0.185 K(o=-0.19,f=-0.74) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0396) USER MOD Single : A 65 SER OG : rot 108:sc= 0.458 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.227 -7.312 -5.052 1.00 9.67 N ATOM 2 CA MET A 1 11.244 -7.901 -3.634 1.00 10.38 C ATOM 3 C MET A 1 9.874 -8.108 -3.061 1.00 9.62 C ATOM 4 O MET A 1 8.941 -7.509 -3.517 1.00 9.62 O ATOM 5 CB MET A 1 11.964 -6.978 -2.630 1.00 13.77 C ATOM 6 CG MET A 1 11.293 -5.548 -2.502 1.00 16.29 C ATOM 7 SD MET A 1 12.217 -4.299 -1.583 1.00 17.17 S ATOM 8 CE MET A 1 10.805 -3.333 -1.114 1.00 16.11 C ATOM 0 H1 MET A 1 12.175 -6.959 -5.293 1.00 9.67 H new ATOM 0 H2 MET A 1 10.950 -8.049 -5.731 1.00 9.67 H new ATOM 0 H3 MET A 1 10.545 -6.528 -5.094 1.00 9.67 H new ATOM 0 HA MET A 1 11.760 -8.853 -3.758 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.974 -7.456 -1.650 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.003 -6.858 -2.937 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.111 -5.166 -3.507 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.320 -5.670 -2.026 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.100 -2.597 -0.366 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.407 -2.821 -1.990 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.039 -3.987 -0.697 1.00 16.11 H new ATOM 20 N GLN A 2 9.707 -9.059 -2.090 1.00 9.27 N ATOM 21 CA GLN A 2 8.464 -9.420 -1.444 1.00 9.07 C ATOM 22 C GLN A 2 8.131 -8.521 -0.250 1.00 8.72 C ATOM 23 O GLN A 2 8.814 -8.524 0.769 1.00 8.22 O ATOM 24 CB GLN A 2 8.506 -10.934 -1.077 1.00 14.46 C ATOM 25 CG GLN A 2 7.101 -11.429 -0.824 1.00 17.01 C ATOM 26 CD GLN A 2 7.039 -12.942 -0.782 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.128 -13.600 0.273 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.994 -13.602 -1.953 1.00 19.49 N ATOM 0 H GLN A 2 10.494 -9.605 -1.740 1.00 9.27 H new ATOM 0 HA GLN A 2 7.643 -9.254 -2.142 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.963 -11.503 -1.886 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.122 -11.088 -0.191 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.737 -11.024 0.120 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.438 -11.059 -1.607 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.921 -13.083 -2.828 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.033 -14.621 -1.966 1.00 19.49 H new ATOM 37 N ILE A 3 7.034 -7.785 -0.404 1.00 5.87 N ATOM 38 CA ILE A 3 6.433 -7.202 0.816 1.00 5.07 C ATOM 39 C ILE A 3 5.020 -7.644 1.037 1.00 4.01 C ATOM 40 O ILE A 3 4.305 -8.183 0.211 1.00 4.61 O ATOM 41 CB ILE A 3 6.390 -5.663 0.832 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.441 -5.089 -0.208 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.830 -5.135 0.680 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.275 -3.584 0.048 1.00 10.83 C ATOM 0 H ILE A 3 6.563 -7.582 -1.286 1.00 5.87 H new ATOM 0 HA ILE A 3 7.098 -7.567 1.599 1.00 5.07 H new ATOM 0 HB ILE A 3 5.983 -5.327 1.786 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.832 -5.260 -1.211 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.474 -5.590 -0.154 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.821 -4.045 0.689 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.440 -5.500 1.506 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.249 -5.486 -0.263 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.596 -3.162 -0.693 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.866 -3.428 1.046 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.245 -3.093 -0.028 1.00 10.83 H new ATOM 56 N PHE A 4 4.553 -7.401 2.303 1.00 4.55 N ATOM 57 CA PHE A 4 3.223 -7.784 2.826 1.00 4.68 C ATOM 58 C PHE A 4 2.402 -6.491 3.093 1.00 5.30 C ATOM 59 O PHE A 4 2.818 -5.614 3.861 1.00 5.58 O ATOM 60 CB PHE A 4 3.156 -8.685 4.091 1.00 4.83 C ATOM 61 CG PHE A 4 4.014 -9.923 3.891 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.889 -10.778 2.764 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.050 -10.166 4.799 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.831 -11.797 2.566 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.032 -11.134 4.571 1.00 10.61 C ATOM 66 CZ PHE A 4 5.942 -11.996 3.416 1.00 8.90 C ATOM 0 H PHE A 4 5.119 -6.917 3.000 1.00 4.55 H new ATOM 0 HA PHE A 4 2.815 -8.420 2.040 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.502 -8.129 4.963 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.124 -8.975 4.287 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.076 -10.644 2.066 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.093 -9.585 5.708 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.701 -12.461 1.724 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.858 -11.237 5.259 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.685 -12.753 3.213 1.00 8.90 H new ATOM 76 N VAL A 5 1.182 -6.497 2.613 1.00 4.44 N ATOM 77 CA VAL A 5 0.236 -5.423 2.839 1.00 3.87 C ATOM 78 C VAL A 5 -0.880 -6.053 3.660 1.00 4.93 C ATOM 79 O VAL A 5 -1.323 -7.130 3.265 1.00 6.84 O ATOM 80 CB VAL A 5 -0.347 -4.849 1.548 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.652 -4.063 1.703 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.766 -3.934 0.935 1.00 9.13 C ATOM 0 H VAL A 5 0.810 -7.258 2.045 1.00 4.44 H new ATOM 0 HA VAL A 5 0.731 -4.587 3.333 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.625 -5.685 0.906 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.977 -3.701 0.727 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.420 -4.712 2.123 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.489 -3.215 2.369 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.404 -3.494 0.006 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.014 -3.140 1.640 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.656 -4.530 0.732 1.00 9.13 H new ATOM 92 N LYS A 6 -1.264 -5.502 4.855 1.00 6.04 N ATOM 93 CA LYS A 6 -1.990 -6.167 5.895 1.00 6.12 C ATOM 94 C LYS A 6 -3.254 -5.427 6.202 1.00 6.57 C ATOM 95 O LYS A 6 -3.265 -4.210 6.442 1.00 5.76 O ATOM 96 CB LYS A 6 -1.023 -6.176 7.091 1.00 7.45 C ATOM 97 CG LYS A 6 -1.276 -7.268 8.070 1.00 11.12 C ATOM 98 CD LYS A 6 -0.844 -8.739 7.715 1.00 14.54 C ATOM 99 CE LYS A 6 -0.973 -9.699 8.949 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.766 -11.130 8.597 1.00 20.55 N ATOM 0 H LYS A 6 -1.047 -4.534 5.093 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.298 -7.177 5.623 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.003 -6.266 6.719 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.091 -5.218 7.606 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.777 -6.996 9.000 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.346 -7.282 8.275 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.462 -9.112 6.898 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.187 -8.739 7.361 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.245 -9.408 9.706 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.961 -9.579 9.394 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.388 -11.725 9.182 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.991 -11.276 7.592 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.226 -11.390 8.771 1.00 20.55 H new ATOM 114 N THR A 7 -4.371 -6.096 6.027 1.00 7.41 N ATOM 115 CA THR A 7 -5.661 -5.473 6.046 1.00 7.48 C ATOM 116 C THR A 7 -6.108 -5.087 7.440 1.00 8.75 C ATOM 117 O THR A 7 -5.445 -5.464 8.403 1.00 8.58 O ATOM 118 CB THR A 7 -6.830 -6.190 5.337 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.189 -7.412 5.871 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.297 -6.519 3.892 1.00 9.17 C ATOM 0 H THR A 7 -4.402 -7.103 5.866 1.00 7.41 H new ATOM 0 HA THR A 7 -5.454 -4.595 5.435 1.00 7.48 H new ATOM 0 HB THR A 7 -7.699 -5.536 5.411 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.936 -7.786 5.358 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.075 -7.031 3.325 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.028 -5.593 3.384 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.419 -7.161 3.965 1.00 9.17 H new ATOM 128 N LEU A 8 -7.248 -4.383 7.601 1.00 9.84 N ATOM 129 CA LEU A 8 -7.847 -3.993 8.847 1.00 14.15 C ATOM 130 C LEU A 8 -8.024 -5.238 9.712 1.00 17.37 C ATOM 131 O LEU A 8 -7.691 -5.301 10.900 1.00 17.01 O ATOM 132 CB LEU A 8 -9.122 -3.078 8.609 1.00 16.63 C ATOM 133 CG LEU A 8 -9.737 -2.446 9.880 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.481 -3.478 10.774 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.728 -1.622 10.648 1.00 18.59 C ATOM 0 H LEU A 8 -7.791 -4.063 6.799 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.200 -3.335 9.427 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.849 -2.277 7.922 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.888 -3.675 8.114 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.506 -1.754 9.537 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.890 -2.973 11.649 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.292 -3.934 10.206 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.783 -4.252 11.094 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.203 -1.197 11.532 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.896 -2.257 10.952 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.357 -0.817 10.013 1.00 18.59 H new ATOM 147 N THR A 9 -8.567 -6.332 9.122 1.00 18.33 N ATOM 148 CA THR A 9 -8.988 -7.534 9.868 1.00 19.24 C ATOM 149 C THR A 9 -7.788 -8.557 9.875 1.00 19.48 C ATOM 150 O THR A 9 -7.879 -9.679 10.359 1.00 23.14 O ATOM 151 CB THR A 9 -10.262 -8.235 9.375 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.226 -8.596 7.985 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.574 -7.392 9.599 1.00 19.70 C ATOM 0 H THR A 9 -8.723 -6.401 8.116 1.00 18.33 H new ATOM 0 HA THR A 9 -9.251 -7.181 10.865 1.00 19.24 H new ATOM 0 HB THR A 9 -10.289 -9.136 9.988 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.066 -9.038 7.740 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.433 -7.950 9.227 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.703 -7.195 10.663 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.495 -6.447 9.062 1.00 19.70 H new ATOM 161 N GLY A 10 -6.655 -8.169 9.286 1.00 19.43 N ATOM 162 CA GLY A 10 -5.374 -8.870 9.307 1.00 18.74 C ATOM 163 C GLY A 10 -5.195 -9.873 8.219 1.00 17.62 C ATOM 164 O GLY A 10 -4.288 -10.699 8.305 1.00 19.74 O ATOM 0 H GLY A 10 -6.607 -7.303 8.749 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.572 -8.135 9.241 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.266 -9.373 10.268 1.00 18.74 H new ATOM 168 N LYS A 11 -5.965 -9.840 7.133 1.00 13.56 N ATOM 169 CA LYS A 11 -5.642 -10.611 5.967 1.00 11.91 C ATOM 170 C LYS A 11 -4.295 -10.165 5.390 1.00 10.18 C ATOM 171 O LYS A 11 -4.070 -8.933 5.304 1.00 9.10 O ATOM 172 CB LYS A 11 -6.758 -10.425 4.806 1.00 13.43 C ATOM 173 CG LYS A 11 -6.586 -11.508 3.721 1.00 16.69 C ATOM 174 CD LYS A 11 -7.660 -11.455 2.597 1.00 17.92 C ATOM 175 CE LYS A 11 -7.360 -12.498 1.508 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.425 -12.681 0.501 1.00 21.93 N ATOM 0 H LYS A 11 -6.815 -9.282 7.051 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.604 -11.655 6.277 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.757 -10.489 5.238 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.667 -9.435 4.359 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.599 -11.403 3.271 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.618 -12.490 4.194 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.647 -11.639 3.021 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.683 -10.458 2.156 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.443 -12.210 0.995 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.168 -13.457 1.989 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.036 -13.168 -0.331 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.194 -13.251 0.908 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.797 -11.752 0.216 1.00 21.93 H new ATOM 190 N THR A 12 -3.427 -11.126 4.963 1.00 9.63 N ATOM 191 CA THR A 12 -2.199 -10.793 4.313 1.00 9.85 C ATOM 192 C THR A 12 -2.312 -10.766 2.864 1.00 11.66 C ATOM 193 O THR A 12 -2.837 -11.736 2.262 1.00 12.33 O ATOM 194 CB THR A 12 -1.080 -11.811 4.659 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.197 -12.285 6.002 1.00 10.91 O ATOM 196 CG2 THR A 12 0.339 -11.190 4.441 1.00 9.63 C ATOM 0 H THR A 12 -3.587 -12.127 5.074 1.00 9.63 H new ATOM 0 HA THR A 12 -1.952 -9.796 4.678 1.00 9.85 H new ATOM 0 HB THR A 12 -1.202 -12.657 3.982 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.478 -12.925 6.187 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.101 -11.928 4.692 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.450 -10.894 3.398 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.456 -10.315 5.081 1.00 9.63 H new ATOM 204 N ILE A 13 -1.786 -9.706 2.251 1.00 10.42 N ATOM 205 CA ILE A 13 -1.722 -9.695 0.790 1.00 11.84 C ATOM 206 C ILE A 13 -0.257 -9.694 0.470 1.00 10.55 C ATOM 207 O ILE A 13 0.570 -8.944 1.049 1.00 11.92 O ATOM 208 CB ILE A 13 -2.441 -8.464 0.160 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.817 -8.146 0.881 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.570 -8.569 -1.400 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.432 -6.805 0.471 1.00 16.46 C ATOM 0 H ILE A 13 -1.413 -8.879 2.717 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.241 -10.557 0.370 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.799 -7.602 0.338 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.526 -8.944 0.659 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.661 -8.149 1.960 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.079 -7.684 -1.783 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.577 -8.637 -1.843 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.145 -9.458 -1.659 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.371 -6.657 1.005 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.743 -5.998 0.718 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.621 -6.804 -0.602 1.00 16.46 H new ATOM 223 N THR A 14 0.157 -10.505 -0.484 1.00 9.39 N ATOM 224 CA THR A 14 1.601 -10.704 -0.775 1.00 9.63 C ATOM 225 C THR A 14 1.858 -10.052 -2.137 1.00 11.20 C ATOM 226 O THR A 14 1.318 -10.440 -3.149 1.00 11.63 O ATOM 227 CB THR A 14 1.876 -12.218 -0.857 1.00 10.38 C ATOM 228 OG1 THR A 14 1.550 -12.834 0.362 1.00 16.30 O ATOM 229 CG2 THR A 14 3.356 -12.533 -1.079 1.00 11.66 C ATOM 0 H THR A 14 -0.469 -11.045 -1.081 1.00 9.39 H new ATOM 0 HA THR A 14 2.243 -10.270 -0.008 1.00 9.63 H new ATOM 0 HB THR A 14 1.277 -12.581 -1.692 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.726 -13.796 0.300 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.495 -13.613 -1.129 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.688 -12.081 -2.013 1.00 11.66 H new ATOM 0 HG23 THR A 14 3.942 -12.130 -0.253 1.00 11.66 H new ATOM 237 N LEU A 15 2.738 -9.005 -2.178 1.00 8.29 N ATOM 238 CA LEU A 15 3.038 -8.265 -3.382 1.00 9.03 C ATOM 239 C LEU A 15 4.532 -8.504 -3.806 1.00 8.59 C ATOM 240 O LEU A 15 5.390 -8.719 -2.971 1.00 7.79 O ATOM 241 CB LEU A 15 2.699 -6.714 -3.258 1.00 11.08 C ATOM 242 CG LEU A 15 1.313 -6.396 -2.732 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.102 -4.847 -2.563 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.222 -7.025 -3.711 1.00 15.27 C ATOM 0 H LEU A 15 3.246 -8.673 -1.358 1.00 8.29 H new ATOM 0 HA LEU A 15 2.387 -8.645 -4.169 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.435 -6.249 -2.602 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.812 -6.254 -4.240 1.00 11.08 H new ATOM 0 HG LEU A 15 1.202 -6.838 -1.742 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.098 -4.656 -2.184 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.836 -4.454 -1.859 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.225 -4.356 -3.528 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.776 -6.799 -3.337 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.340 -6.601 -4.708 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.356 -8.106 -3.758 1.00 15.27 H new ATOM 256 N GLU A 16 4.867 -8.436 -5.103 1.00 11.04 N ATOM 257 CA GLU A 16 6.229 -8.312 -5.572 1.00 11.50 C ATOM 258 C GLU A 16 6.323 -6.835 -5.947 1.00 10.13 C ATOM 259 O GLU A 16 5.559 -6.377 -6.761 1.00 9.83 O ATOM 260 CB GLU A 16 6.559 -9.181 -6.814 1.00 17.22 C ATOM 261 CG GLU A 16 7.761 -8.896 -7.643 1.00 23.33 C ATOM 262 CD GLU A 16 9.123 -9.234 -6.930 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.141 -10.354 -6.390 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.098 -8.460 -7.006 1.00 28.86 O ATOM 0 H GLU A 16 4.179 -8.467 -5.856 1.00 11.04 H new ATOM 0 HA GLU A 16 6.933 -8.651 -4.811 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.643 -10.212 -6.471 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.694 -9.135 -7.476 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.695 -9.467 -8.569 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.758 -7.841 -7.918 1.00 23.33 H new ATOM 271 N VAL A 17 7.344 -6.129 -5.420 1.00 8.99 N ATOM 272 CA VAL A 17 7.548 -4.701 -5.619 1.00 8.85 C ATOM 273 C VAL A 17 9.027 -4.385 -5.855 1.00 8.04 C ATOM 274 O VAL A 17 9.880 -5.160 -5.543 1.00 8.99 O ATOM 275 CB VAL A 17 7.092 -3.815 -4.439 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.519 -3.883 -4.227 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.887 -4.180 -3.156 1.00 10.54 C ATOM 0 H VAL A 17 8.060 -6.557 -4.832 1.00 8.99 H new ATOM 0 HA VAL A 17 6.931 -4.468 -6.487 1.00 8.85 H new ATOM 0 HB VAL A 17 7.315 -2.775 -4.678 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.237 -3.247 -3.388 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.015 -3.538 -5.130 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.224 -4.911 -4.018 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.557 -3.549 -2.331 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.712 -5.226 -2.905 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.951 -4.022 -3.330 1.00 10.54 H new ATOM 287 N GLU A 18 9.414 -3.302 -6.601 1.00 7.29 N ATOM 288 CA GLU A 18 10.724 -2.749 -6.739 1.00 7.08 C ATOM 289 C GLU A 18 10.807 -1.466 -5.881 1.00 6.45 C ATOM 290 O GLU A 18 9.763 -0.831 -5.824 1.00 5.28 O ATOM 291 CB GLU A 18 10.981 -2.451 -8.259 1.00 10.28 C ATOM 292 CG GLU A 18 12.404 -2.218 -8.681 1.00 12.65 C ATOM 293 CD GLU A 18 13.364 -3.346 -8.272 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.001 -4.535 -8.535 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.524 -3.084 -7.794 1.00 18.17 O ATOM 0 H GLU A 18 8.732 -2.780 -7.151 1.00 7.29 H new ATOM 0 HA GLU A 18 11.490 -3.442 -6.392 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.589 -3.287 -8.838 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.399 -1.572 -8.534 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.437 -2.100 -9.764 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.753 -1.281 -8.247 1.00 12.65 H new ATOM 302 N PRO A 19 11.852 -1.088 -5.220 1.00 7.24 N ATOM 303 CA PRO A 19 11.735 -0.020 -4.172 1.00 7.07 C ATOM 304 C PRO A 19 11.458 1.338 -4.830 1.00 6.65 C ATOM 305 O PRO A 19 11.011 2.254 -4.151 1.00 6.37 O ATOM 306 CB PRO A 19 13.115 0.051 -3.531 1.00 7.61 C ATOM 307 CG PRO A 19 13.608 -1.409 -3.600 1.00 8.16 C ATOM 308 CD PRO A 19 13.093 -1.890 -4.979 1.00 7.49 C ATOM 0 HA PRO A 19 10.933 -0.240 -3.467 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.777 0.726 -4.073 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.064 0.411 -2.504 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.694 -1.471 -3.531 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.202 -2.010 -2.786 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.833 -1.719 -5.760 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.879 -2.959 -4.971 1.00 7.49 H new ATOM 316 N SER A 20 11.641 1.453 -6.213 1.00 6.80 N ATOM 317 CA SER A 20 11.222 2.550 -7.053 1.00 6.28 C ATOM 318 C SER A 20 9.757 2.547 -7.465 1.00 8.45 C ATOM 319 O SER A 20 9.340 3.434 -8.167 1.00 7.26 O ATOM 320 CB SER A 20 11.974 2.468 -8.415 1.00 8.57 C ATOM 321 OG SER A 20 13.364 2.417 -8.171 1.00 11.13 O ATOM 0 H SER A 20 12.112 0.723 -6.747 1.00 6.80 H new ATOM 0 HA SER A 20 11.427 3.431 -6.444 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.656 1.584 -8.968 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.732 3.334 -9.032 1.00 8.57 H new ATOM 0 HG SER A 20 13.844 2.364 -9.024 1.00 11.13 H new ATOM 327 N ASP A 21 8.943 1.545 -7.104 1.00 7.50 N ATOM 328 CA ASP A 21 7.473 1.474 -7.307 1.00 7.70 C ATOM 329 C ASP A 21 6.811 2.518 -6.353 1.00 7.08 C ATOM 330 O ASP A 21 7.247 2.674 -5.220 1.00 8.11 O ATOM 331 CB ASP A 21 6.902 0.053 -7.137 1.00 11.00 C ATOM 332 CG ASP A 21 7.192 -0.905 -8.258 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.441 -0.469 -9.418 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.119 -2.164 -8.022 1.00 18.03 O ATOM 0 H ASP A 21 9.303 0.713 -6.637 1.00 7.50 H new ATOM 0 HA ASP A 21 7.238 1.722 -8.342 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.296 -0.369 -6.212 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.821 0.128 -7.018 1.00 11.00 H new ATOM 339 N THR A 22 5.786 3.196 -6.831 1.00 5.37 N ATOM 340 CA THR A 22 5.097 4.226 -6.079 1.00 6.01 C ATOM 341 C THR A 22 3.889 3.611 -5.353 1.00 8.01 C ATOM 342 O THR A 22 3.405 2.524 -5.758 1.00 8.11 O ATOM 343 CB THR A 22 4.592 5.497 -6.837 1.00 8.92 C ATOM 344 OG1 THR A 22 3.774 5.261 -7.969 1.00 10.22 O ATOM 345 CG2 THR A 22 5.745 6.347 -7.335 1.00 9.65 C ATOM 0 H THR A 22 5.404 3.045 -7.764 1.00 5.37 H new ATOM 0 HA THR A 22 5.883 4.595 -5.420 1.00 6.01 H new ATOM 0 HB THR A 22 3.992 5.994 -6.075 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.076 4.449 -8.427 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.354 7.221 -7.856 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.351 6.670 -6.489 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.360 5.762 -8.019 1.00 9.65 H new ATOM 353 N ILE A 23 3.374 4.267 -4.292 1.00 8.32 N ATOM 354 CA ILE A 23 2.181 3.958 -3.623 1.00 9.92 C ATOM 355 C ILE A 23 0.986 3.798 -4.518 1.00 10.01 C ATOM 356 O ILE A 23 0.257 2.846 -4.449 1.00 8.71 O ATOM 357 CB ILE A 23 1.851 4.802 -2.475 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.097 5.026 -1.608 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.663 4.315 -1.590 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.611 3.672 -1.031 1.00 12.30 C ATOM 0 H ILE A 23 3.845 5.075 -3.885 1.00 8.32 H new ATOM 0 HA ILE A 23 2.423 2.977 -3.214 1.00 9.92 H new ATOM 0 HB ILE A 23 1.504 5.738 -2.913 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.881 5.496 -2.202 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.862 5.710 -0.792 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.509 5.017 -0.770 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.242 4.259 -2.195 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.891 3.329 -1.185 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.495 3.850 -0.419 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.831 3.218 -0.420 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.866 3.001 -1.851 1.00 12.30 H new ATOM 372 N GLU A 24 0.886 4.683 -5.551 1.00 9.54 N ATOM 373 CA GLU A 24 -0.007 4.560 -6.698 1.00 11.81 C ATOM 374 C GLU A 24 0.143 3.305 -7.515 1.00 11.14 C ATOM 375 O GLU A 24 -0.917 2.691 -7.816 1.00 10.62 O ATOM 376 CB GLU A 24 0.206 5.823 -7.580 1.00 19.24 C ATOM 377 CG GLU A 24 -0.654 5.875 -8.803 1.00 27.76 C ATOM 378 CD GLU A 24 -0.423 7.202 -9.521 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.576 7.353 -10.189 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.348 8.052 -9.521 1.00 34.80 O ATOM 0 H GLU A 24 1.456 5.528 -5.591 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.023 4.485 -6.310 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.012 6.710 -6.976 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.252 5.867 -7.884 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.416 5.043 -9.465 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.704 5.774 -8.529 1.00 27.76 H new ATOM 387 N ASN A 25 1.380 2.827 -7.905 1.00 9.43 N ATOM 388 CA ASN A 25 1.542 1.456 -8.352 1.00 10.96 C ATOM 389 C ASN A 25 1.087 0.353 -7.318 1.00 9.68 C ATOM 390 O ASN A 25 0.472 -0.644 -7.700 1.00 9.33 O ATOM 391 CB ASN A 25 3.036 1.115 -8.698 1.00 16.78 C ATOM 392 CG ASN A 25 3.706 2.049 -9.737 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.705 2.676 -9.450 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.233 2.032 -11.001 1.00 24.70 N ATOM 0 H ASN A 25 2.236 3.381 -7.907 1.00 9.43 H new ATOM 0 HA ASN A 25 0.893 1.422 -9.227 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.620 1.144 -7.778 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.081 0.092 -9.072 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.717 2.552 -11.734 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.392 1.499 -11.224 1.00 24.70 H new ATOM 401 N VAL A 26 1.420 0.411 -6.039 1.00 6.52 N ATOM 402 CA VAL A 26 1.084 -0.580 -4.998 1.00 5.53 C ATOM 403 C VAL A 26 -0.448 -0.779 -4.887 1.00 4.42 C ATOM 404 O VAL A 26 -0.958 -1.899 -4.979 1.00 3.40 O ATOM 405 CB VAL A 26 1.682 -0.101 -3.667 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.110 -0.948 -2.526 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.208 -0.192 -3.803 1.00 8.12 C ATOM 0 H VAL A 26 1.963 1.190 -5.666 1.00 6.52 H new ATOM 0 HA VAL A 26 1.506 -1.550 -5.262 1.00 5.53 H new ATOM 0 HB VAL A 26 1.423 0.931 -3.432 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.531 -0.613 -1.578 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.026 -0.839 -2.500 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.366 -1.995 -2.687 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.676 0.140 -2.876 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.494 -1.224 -4.005 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.539 0.443 -4.625 1.00 8.12 H new ATOM 417 N LYS A 27 -1.275 0.283 -4.965 1.00 2.64 N ATOM 418 CA LYS A 27 -2.731 0.225 -5.028 1.00 4.14 C ATOM 419 C LYS A 27 -3.182 -0.571 -6.330 1.00 5.58 C ATOM 420 O LYS A 27 -4.091 -1.399 -6.240 1.00 4.11 O ATOM 421 CB LYS A 27 -3.288 1.681 -4.971 1.00 3.97 C ATOM 422 CG LYS A 27 -2.988 2.407 -3.714 1.00 7.45 C ATOM 423 CD LYS A 27 -3.822 3.749 -3.679 1.00 9.02 C ATOM 424 CE LYS A 27 -3.045 4.867 -4.435 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.839 6.078 -4.368 1.00 15.47 N ATOM 0 H LYS A 27 -0.922 1.240 -4.986 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.143 -0.319 -4.178 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.878 2.246 -5.808 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.369 1.648 -5.107 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.238 1.787 -2.853 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.922 2.625 -3.651 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.798 3.595 -4.140 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.001 4.051 -2.647 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.066 5.026 -3.982 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.873 4.579 -5.472 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.247 6.278 -5.304 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.605 5.953 -3.676 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.235 6.873 -4.077 1.00 15.47 H new ATOM 439 N ALA A 28 -2.483 -0.399 -7.455 1.00 6.61 N ATOM 440 CA ALA A 28 -2.728 -1.195 -8.665 1.00 7.74 C ATOM 441 C ALA A 28 -2.330 -2.616 -8.493 1.00 9.17 C ATOM 442 O ALA A 28 -3.052 -3.529 -8.936 1.00 11.45 O ATOM 443 CB ALA A 28 -2.040 -0.553 -9.911 1.00 7.68 C ATOM 0 H ALA A 28 -1.737 0.289 -7.555 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.804 -1.191 -8.839 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.239 -1.164 -10.791 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.436 0.450 -10.069 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.964 -0.496 -9.744 1.00 7.68 H new ATOM 449 N LYS A 29 -1.215 -2.959 -7.765 1.00 8.96 N ATOM 450 CA LYS A 29 -0.897 -4.330 -7.397 1.00 7.90 C ATOM 451 C LYS A 29 -1.897 -4.968 -6.414 1.00 6.92 C ATOM 452 O LYS A 29 -2.211 -6.154 -6.645 1.00 6.87 O ATOM 453 CB LYS A 29 0.558 -4.497 -6.948 1.00 10.28 C ATOM 454 CG LYS A 29 1.666 -4.089 -7.991 1.00 14.94 C ATOM 455 CD LYS A 29 3.130 -4.221 -7.478 1.00 19.69 C ATOM 456 CE LYS A 29 4.216 -3.483 -8.271 1.00 22.63 C ATOM 457 NZ LYS A 29 4.271 -3.802 -9.719 1.00 24.98 N ATOM 0 H LYS A 29 -0.534 -2.277 -7.433 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.009 -4.900 -8.319 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.706 -3.906 -6.044 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.713 -5.541 -6.676 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.551 -4.707 -8.881 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.495 -3.057 -8.296 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.161 -3.865 -6.448 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.387 -5.280 -7.457 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.060 -2.410 -8.158 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.185 -3.712 -7.828 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.034 -3.255 -10.166 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.454 -4.818 -9.844 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.363 -3.556 -10.163 1.00 24.98 H new ATOM 471 N ILE A 30 -2.449 -4.254 -5.381 1.00 4.57 N ATOM 472 CA ILE A 30 -3.451 -4.811 -4.491 1.00 5.58 C ATOM 473 C ILE A 30 -4.759 -5.051 -5.228 1.00 7.26 C ATOM 474 O ILE A 30 -5.475 -6.063 -5.046 1.00 9.46 O ATOM 475 CB ILE A 30 -3.774 -3.845 -3.357 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.537 -3.985 -2.437 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.048 -4.259 -2.581 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.319 -2.689 -1.652 1.00 2.00 C ATOM 0 H ILE A 30 -2.196 -3.289 -5.167 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.037 -5.743 -4.107 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.966 -2.834 -3.716 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.678 -4.818 -1.748 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.653 -4.211 -3.034 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.238 -3.541 -1.783 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.899 -4.278 -3.262 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.906 -5.250 -2.151 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.447 -2.796 -1.007 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.157 -1.865 -2.347 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.198 -2.481 -1.042 1.00 2.00 H new ATOM 490 N GLN A 31 -5.065 -4.199 -6.276 1.00 7.06 N ATOM 491 CA GLN A 31 -6.300 -4.278 -7.107 1.00 8.67 C ATOM 492 C GLN A 31 -6.379 -5.599 -7.909 1.00 10.90 C ATOM 493 O GLN A 31 -7.400 -6.299 -7.975 1.00 9.63 O ATOM 494 CB GLN A 31 -6.266 -3.177 -8.150 1.00 9.12 C ATOM 495 CG GLN A 31 -7.621 -2.980 -8.865 1.00 10.76 C ATOM 496 CD GLN A 31 -7.793 -1.743 -9.807 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.892 -0.916 -10.023 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.018 -1.634 -10.269 1.00 14.76 N ATOM 0 H GLN A 31 -4.447 -3.438 -6.557 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.145 -4.199 -6.422 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.974 -2.241 -7.673 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.501 -3.410 -8.891 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.819 -3.876 -9.454 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.395 -2.924 -8.100 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.710 -2.351 -10.053 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.277 -0.832 -10.844 1.00 14.76 H new ATOM 507 N ASP A 32 -5.162 -6.002 -8.471 1.00 10.93 N ATOM 508 CA ASP A 32 -5.109 -7.333 -9.025 1.00 14.01 C ATOM 509 C ASP A 32 -5.333 -8.391 -8.002 1.00 14.04 C ATOM 510 O ASP A 32 -6.023 -9.344 -8.346 1.00 13.39 O ATOM 511 CB ASP A 32 -3.848 -7.617 -9.823 1.00 18.01 C ATOM 512 CG ASP A 32 -3.572 -6.770 -11.071 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.495 -6.008 -11.513 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.440 -6.826 -11.642 1.00 25.17 O ATOM 0 H ASP A 32 -4.308 -5.447 -8.528 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.940 -7.365 -9.730 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.997 -7.506 -9.151 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.877 -8.662 -10.130 1.00 18.01 H new ATOM 519 N LYS A 33 -4.819 -8.345 -6.746 1.00 14.22 N ATOM 520 CA LYS A 33 -4.850 -9.428 -5.767 1.00 14.00 C ATOM 521 C LYS A 33 -6.287 -9.586 -5.284 1.00 12.37 C ATOM 522 O LYS A 33 -6.830 -10.665 -5.168 1.00 12.17 O ATOM 523 CB LYS A 33 -3.845 -9.102 -4.654 1.00 18.62 C ATOM 524 CG LYS A 33 -2.374 -9.213 -5.141 1.00 24.00 C ATOM 525 CD LYS A 33 -2.080 -10.676 -5.616 1.00 27.61 C ATOM 526 CE LYS A 33 -0.612 -10.973 -5.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.584 -12.443 -5.975 1.00 30.06 N ATOM 0 H LYS A 33 -4.355 -7.511 -6.387 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.549 -10.388 -6.187 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.029 -8.093 -4.285 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.001 -9.781 -3.816 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.198 -8.514 -5.958 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.693 -8.939 -4.335 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.476 -11.373 -4.877 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.617 -10.859 -6.546 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.227 -10.474 -6.721 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.005 -10.638 -4.991 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.395 -12.758 -6.130 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.956 -12.883 -5.109 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.171 -12.724 -6.786 1.00 30.06 H new ATOM 541 N GLU A 34 -6.922 -8.496 -5.006 1.00 10.11 N ATOM 542 CA GLU A 34 -8.065 -8.481 -4.117 1.00 10.07 C ATOM 543 C GLU A 34 -9.171 -7.537 -4.658 1.00 9.32 C ATOM 544 O GLU A 34 -10.211 -7.385 -3.979 1.00 11.61 O ATOM 545 CB GLU A 34 -7.612 -7.921 -2.723 1.00 14.77 C ATOM 546 CG GLU A 34 -6.938 -8.839 -1.649 1.00 18.75 C ATOM 547 CD GLU A 34 -7.712 -10.080 -1.321 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.738 -10.095 -0.572 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.205 -11.190 -1.630 1.00 21.95 O ATOM 0 H GLU A 34 -6.672 -7.582 -5.383 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.453 -9.496 -4.038 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.918 -7.104 -2.921 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.495 -7.484 -2.256 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.948 -9.126 -2.004 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.794 -8.263 -0.735 1.00 18.75 H new ATOM 556 N GLY A 35 -8.949 -6.870 -5.776 1.00 7.22 N ATOM 557 CA GLY A 35 -9.981 -6.291 -6.492 1.00 6.29 C ATOM 558 C GLY A 35 -10.335 -4.891 -6.084 1.00 6.93 C ATOM 559 O GLY A 35 -11.270 -4.338 -6.653 1.00 7.41 O ATOM 0 H GLY A 35 -8.024 -6.735 -6.185 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.712 -6.287 -7.548 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.868 -6.917 -6.391 1.00 6.29 H new ATOM 563 N ILE A 36 -9.590 -4.344 -5.140 1.00 5.86 N ATOM 564 CA ILE A 36 -9.910 -3.073 -4.482 1.00 6.07 C ATOM 565 C ILE A 36 -9.590 -1.895 -5.380 1.00 6.36 C ATOM 566 O ILE A 36 -8.394 -1.755 -5.626 1.00 6.18 O ATOM 567 CB ILE A 36 -9.278 -2.942 -3.057 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.386 -4.275 -2.199 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.980 -1.701 -2.389 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.534 -4.226 -0.958 1.00 9.49 C ATOM 0 H ILE A 36 -8.729 -4.771 -4.798 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.987 -3.066 -4.314 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.201 -2.784 -3.120 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.426 -4.440 -1.917 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.083 -5.124 -2.812 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.581 -1.554 -1.385 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.792 -0.810 -2.988 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.054 -1.878 -2.330 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.642 -5.159 -0.406 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.490 -4.089 -1.239 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.853 -3.394 -0.330 1.00 9.49 H new ATOM 582 N PRO A 37 -10.509 -1.013 -5.800 1.00 8.65 N ATOM 583 CA PRO A 37 -10.127 0.211 -6.489 1.00 9.18 C ATOM 584 C PRO A 37 -9.092 1.060 -5.742 1.00 9.85 C ATOM 585 O PRO A 37 -9.227 1.188 -4.539 1.00 8.51 O ATOM 586 CB PRO A 37 -11.447 1.037 -6.727 1.00 11.42 C ATOM 587 CG PRO A 37 -12.470 -0.143 -6.768 1.00 9.27 C ATOM 588 CD PRO A 37 -11.976 -1.134 -5.700 1.00 8.33 C ATOM 0 HA PRO A 37 -9.636 -0.063 -7.423 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.652 1.744 -5.923 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.425 1.608 -7.655 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.480 0.202 -6.549 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.499 -0.607 -7.754 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.337 -0.871 -4.706 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.313 -2.150 -5.903 1.00 8.33 H new ATOM 596 N PRO A 38 -8.121 1.693 -6.362 1.00 8.71 N ATOM 597 CA PRO A 38 -7.122 2.532 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.698 3.711 -5.054 1.00 9.28 C ATOM 599 O PRO A 38 -7.203 4.019 -3.981 1.00 6.50 O ATOM 600 CB PRO A 38 -6.121 2.962 -6.801 1.00 10.31 C ATOM 601 CG PRO A 38 -6.175 1.732 -7.761 1.00 10.81 C ATOM 602 CD PRO A 38 -7.631 1.312 -7.710 1.00 12.00 C ATOM 0 HA PRO A 38 -6.644 1.965 -4.903 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.425 3.884 -7.296 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.120 3.129 -6.403 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.868 1.998 -8.773 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.514 0.932 -7.427 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.208 1.810 -8.490 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.733 0.239 -7.873 1.00 12.00 H new ATOM 610 N ASP A 39 -8.786 4.391 -5.662 1.00 11.20 N ATOM 611 CA ASP A 39 -9.500 5.481 -4.885 1.00 14.96 C ATOM 612 C ASP A 39 -10.324 5.035 -3.661 1.00 13.99 C ATOM 613 O ASP A 39 -10.959 5.863 -3.022 1.00 13.75 O ATOM 614 CB ASP A 39 -10.270 6.319 -5.851 1.00 24.16 C ATOM 615 CG ASP A 39 -9.320 6.767 -6.971 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.663 7.797 -6.698 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.263 6.145 -8.040 1.00 35.55 O ATOM 0 H ASP A 39 -9.144 4.211 -6.600 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.727 6.076 -4.398 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.103 5.751 -6.265 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.695 7.186 -5.345 1.00 24.16 H new ATOM 622 N GLN A 40 -10.288 3.715 -3.260 1.00 11.60 N ATOM 623 CA GLN A 40 -10.902 3.245 -1.985 1.00 10.76 C ATOM 624 C GLN A 40 -9.862 2.736 -1.011 1.00 8.01 C ATOM 625 O GLN A 40 -10.222 2.046 -0.051 1.00 8.96 O ATOM 626 CB GLN A 40 -11.963 2.084 -2.243 1.00 11.14 C ATOM 627 CG GLN A 40 -13.129 2.578 -3.122 1.00 14.85 C ATOM 628 CD GLN A 40 -14.103 1.412 -3.263 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.829 0.282 -2.816 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.241 1.751 -3.951 1.00 18.16 N ATOM 0 H GLN A 40 -9.843 2.975 -3.803 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.403 4.112 -1.554 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.472 1.240 -2.727 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.350 1.724 -1.290 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.619 3.438 -2.665 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.767 2.899 -4.099 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.374 2.708 -4.277 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.954 1.046 -4.136 1.00 18.16 H new ATOM 639 N GLN A 41 -8.587 3.062 -1.272 1.00 6.52 N ATOM 640 CA GLN A 41 -7.504 2.504 -0.431 1.00 3.87 C ATOM 641 C GLN A 41 -6.763 3.611 0.318 1.00 4.79 C ATOM 642 O GLN A 41 -6.503 4.654 -0.255 1.00 6.34 O ATOM 643 CB GLN A 41 -6.454 1.685 -1.205 1.00 4.20 C ATOM 644 CG GLN A 41 -6.999 0.395 -1.815 1.00 3.20 C ATOM 645 CD GLN A 41 -5.849 -0.292 -2.561 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.661 -0.142 -2.183 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.096 -0.903 -3.718 1.00 7.13 N ATOM 0 H GLN A 41 -8.283 3.681 -2.023 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.018 1.831 0.255 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.039 2.304 -2.001 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.633 1.438 -0.532 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.394 -0.258 -1.037 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.821 0.612 -2.497 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.058 -1.029 -4.033 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.323 -1.245 -4.289 1.00 7.13 H new ATOM 656 N ARG A 42 -6.376 3.368 1.561 1.00 5.73 N ATOM 657 CA ARG A 42 -5.536 4.282 2.317 1.00 6.97 C ATOM 658 C ARG A 42 -4.483 3.389 3.038 1.00 7.15 C ATOM 659 O ARG A 42 -4.760 2.236 3.401 1.00 7.33 O ATOM 660 CB ARG A 42 -6.322 5.201 3.232 1.00 13.23 C ATOM 661 CG ARG A 42 -5.435 5.945 4.233 1.00 21.27 C ATOM 662 CD ARG A 42 -6.334 6.624 5.313 1.00 26.14 C ATOM 663 NE ARG A 42 -6.666 7.962 4.736 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.845 8.596 4.738 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.942 7.989 5.144 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.924 9.851 4.329 1.00 36.39 N ATOM 0 H ARG A 42 -6.638 2.527 2.075 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.033 4.995 1.664 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.868 5.926 2.629 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.064 4.616 3.776 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.740 5.252 4.706 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.836 6.696 3.718 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.234 6.040 5.505 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.809 6.721 6.263 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.896 8.455 4.283 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.901 7.021 5.463 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.832 8.487 5.139 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.086 10.338 4.011 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.823 10.332 4.331 1.00 36.39 H new ATOM 680 N LEU A 43 -3.251 3.823 3.054 1.00 4.65 N ATOM 681 CA LEU A 43 -2.032 3.085 3.353 1.00 3.51 C ATOM 682 C LEU A 43 -1.274 3.748 4.497 1.00 5.56 C ATOM 683 O LEU A 43 -1.021 4.900 4.487 1.00 4.19 O ATOM 684 CB LEU A 43 -1.114 3.044 2.060 1.00 3.74 C ATOM 685 CG LEU A 43 -1.400 2.063 0.965 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.379 0.562 1.398 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.664 2.453 0.101 1.00 6.41 C ATOM 0 H LEU A 43 -3.046 4.798 2.838 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.296 2.071 3.652 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.136 4.039 1.616 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.092 2.866 2.395 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.541 2.148 0.300 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.597 -0.068 0.536 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.394 0.311 1.791 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.131 0.395 2.169 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.819 1.704 -0.676 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -3.544 2.498 0.743 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.502 3.427 -0.361 1.00 6.41 H new ATOM 699 N ILE A 44 -0.969 2.939 5.488 1.00 4.58 N ATOM 700 CA ILE A 44 -0.455 3.272 6.747 1.00 5.55 C ATOM 701 C ILE A 44 0.859 2.537 6.997 1.00 5.46 C ATOM 702 O ILE A 44 0.906 1.326 6.990 1.00 6.04 O ATOM 703 CB ILE A 44 -1.449 3.072 7.918 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.928 3.444 7.551 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.941 3.857 9.165 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.187 4.909 7.200 1.00 13.90 C ATOM 0 H ILE A 44 -1.098 1.932 5.395 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.268 4.346 6.721 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.479 2.007 8.150 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.236 2.829 6.705 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.568 3.174 8.391 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.638 3.718 9.991 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.042 3.485 9.454 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.871 4.918 8.924 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.242 5.046 6.964 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.920 5.539 8.048 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.583 5.188 6.336 1.00 13.90 H new ATOM 718 N PHE A 45 1.918 3.293 7.276 1.00 6.75 N ATOM 719 CA PHE A 45 3.164 2.695 7.719 1.00 4.70 C ATOM 720 C PHE A 45 3.668 3.593 8.749 1.00 6.34 C ATOM 721 O PHE A 45 3.806 4.806 8.553 1.00 5.45 O ATOM 722 CB PHE A 45 4.189 2.484 6.541 1.00 5.51 C ATOM 723 CG PHE A 45 5.526 1.757 6.985 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.557 2.586 7.583 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.750 0.400 6.758 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.829 2.004 7.797 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.969 -0.134 7.060 1.00 6.68 C ATOM 728 CZ PHE A 45 8.015 0.641 7.582 1.00 6.84 C ATOM 0 H PHE A 45 1.934 4.310 7.203 1.00 6.75 H new ATOM 0 HA PHE A 45 3.009 1.689 8.108 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.711 1.899 5.755 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.439 3.453 6.110 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.360 3.612 7.855 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.968 -0.222 6.348 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.655 2.617 8.127 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.134 -1.188 6.892 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.964 0.181 7.817 1.00 6.84 H new ATOM 738 N ALA A 46 4.018 2.979 9.984 1.00 6.53 N ATOM 739 CA ALA A 46 4.813 3.642 11.013 1.00 7.15 C ATOM 740 C ALA A 46 4.411 5.099 11.375 1.00 9.00 C ATOM 741 O ALA A 46 5.072 6.130 11.317 1.00 11.15 O ATOM 742 CB ALA A 46 6.322 3.492 10.791 1.00 8.99 C ATOM 0 H ALA A 46 3.736 2.031 10.234 1.00 6.53 H new ATOM 0 HA ALA A 46 4.549 3.082 11.910 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.860 4.006 11.588 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.587 2.435 10.797 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.594 3.929 9.830 1.00 8.99 H new ATOM 748 N GLY A 47 3.120 5.104 11.719 1.00 9.35 N ATOM 749 CA GLY A 47 2.413 6.205 12.332 1.00 11.68 C ATOM 750 C GLY A 47 2.027 7.286 11.332 1.00 11.14 C ATOM 751 O GLY A 47 1.575 8.346 11.770 1.00 13.93 O ATOM 0 H GLY A 47 2.520 4.294 11.565 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.513 5.828 12.818 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.037 6.643 13.111 1.00 11.68 H new ATOM 755 N LYS A 48 2.026 6.990 10.056 1.00 10.47 N ATOM 756 CA LYS A 48 1.744 7.963 9.021 1.00 8.82 C ATOM 757 C LYS A 48 1.210 7.231 7.828 1.00 7.68 C ATOM 758 O LYS A 48 1.261 6.013 7.681 1.00 6.47 O ATOM 759 CB LYS A 48 2.884 8.923 8.707 1.00 9.74 C ATOM 760 CG LYS A 48 4.268 8.259 8.678 1.00 14.14 C ATOM 761 CD LYS A 48 5.409 9.113 8.087 1.00 16.32 C ATOM 762 CE LYS A 48 6.662 8.263 7.808 1.00 20.04 C ATOM 763 NZ LYS A 48 7.704 8.987 7.081 1.00 23.92 N ATOM 0 H LYS A 48 2.223 6.055 9.699 1.00 10.47 H new ATOM 0 HA LYS A 48 0.984 8.650 9.394 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.696 9.391 7.740 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.890 9.720 9.451 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.538 7.980 9.697 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.195 7.336 8.103 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.073 9.582 7.162 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.660 9.917 8.779 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.069 7.908 8.755 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.374 7.382 7.234 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.519 8.360 6.925 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.331 9.304 6.163 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.005 9.813 7.636 1.00 23.92 H new ATOM 777 N GLN A 49 0.523 8.085 7.028 1.00 8.89 N ATOM 778 CA GLN A 49 -0.093 7.686 5.819 1.00 7.18 C ATOM 779 C GLN A 49 0.959 7.639 4.657 1.00 8.23 C ATOM 780 O GLN A 49 1.986 8.292 4.846 1.00 9.70 O ATOM 781 CB GLN A 49 -1.272 8.486 5.332 1.00 11.67 C ATOM 782 CG GLN A 49 -2.519 8.314 6.292 1.00 15.82 C ATOM 783 CD GLN A 49 -3.660 9.276 6.142 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.804 9.933 5.077 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.422 9.489 7.223 1.00 20.67 N ATOM 0 H GLN A 49 0.402 9.075 7.242 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.497 6.708 6.081 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.999 9.540 5.272 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.539 8.168 4.324 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.911 7.306 6.153 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.161 8.378 7.320 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.275 8.936 8.068 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.149 10.204 7.202 1.00 20.67 H new ATOM 794 N LEU A 50 0.662 7.049 3.542 1.00 6.51 N ATOM 795 CA LEU A 50 1.583 6.983 2.420 1.00 7.41 C ATOM 796 C LEU A 50 1.010 7.741 1.263 1.00 8.27 C ATOM 797 O LEU A 50 -0.178 7.676 0.926 1.00 8.34 O ATOM 798 CB LEU A 50 2.063 5.552 2.042 1.00 7.13 C ATOM 799 CG LEU A 50 2.597 4.602 3.153 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.953 3.254 2.417 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.758 5.268 3.935 1.00 9.11 C ATOM 0 H LEU A 50 -0.233 6.591 3.370 1.00 6.51 H new ATOM 0 HA LEU A 50 2.508 7.464 2.738 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.230 5.047 1.554 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.852 5.659 1.297 1.00 7.13 H new ATOM 0 HG LEU A 50 1.867 4.388 3.934 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.337 2.535 3.141 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.058 2.850 1.944 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.711 3.444 1.657 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.116 4.586 4.706 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.573 5.499 3.249 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.403 6.188 4.400 1.00 9.11 H new ATOM 813 N GLU A 51 1.969 8.474 0.513 1.00 9.43 N ATOM 814 CA GLU A 51 1.562 9.397 -0.480 1.00 11.90 C ATOM 815 C GLU A 51 1.654 8.861 -1.860 1.00 11.49 C ATOM 816 O GLU A 51 2.562 8.073 -2.213 1.00 9.88 O ATOM 817 CB GLU A 51 2.291 10.772 -0.438 1.00 16.56 C ATOM 818 CG GLU A 51 2.006 11.476 0.961 1.00 26.06 C ATOM 819 CD GLU A 51 2.669 12.901 1.086 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.268 13.815 0.310 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.534 13.058 1.928 1.00 33.44 O ATOM 0 H GLU A 51 2.979 8.391 0.632 1.00 9.43 H new ATOM 0 HA GLU A 51 0.516 9.564 -0.222 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.363 10.632 -0.576 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.944 11.406 -1.254 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.929 11.570 1.100 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.377 10.838 1.763 1.00 26.06 H new ATOM 828 N ASP A 52 0.725 9.214 -2.722 1.00 12.71 N ATOM 829 CA ASP A 52 0.465 8.527 -3.981 1.00 16.56 C ATOM 830 C ASP A 52 1.670 8.419 -4.920 1.00 15.83 C ATOM 831 O ASP A 52 1.957 7.301 -5.353 1.00 17.21 O ATOM 832 CB ASP A 52 -0.602 9.306 -4.732 1.00 21.05 C ATOM 833 CG ASP A 52 -1.804 9.523 -3.849 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.501 8.492 -3.604 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.832 10.620 -3.230 1.00 25.82 O ATOM 0 H ASP A 52 0.108 10.011 -2.567 1.00 12.71 H new ATOM 0 HA ASP A 52 0.173 7.512 -3.710 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.201 10.266 -5.056 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.895 8.763 -5.631 1.00 21.05 H new ATOM 840 N GLY A 53 2.433 9.520 -5.113 1.00 15.00 N ATOM 841 CA GLY A 53 3.634 9.533 -5.979 1.00 11.77 C ATOM 842 C GLY A 53 4.864 9.435 -5.291 1.00 11.10 C ATOM 843 O GLY A 53 5.952 9.612 -5.913 1.00 11.25 O ATOM 0 H GLY A 53 2.234 10.420 -4.675 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.563 8.707 -6.686 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.633 10.453 -6.563 1.00 11.77 H new ATOM 847 N ARG A 54 4.897 9.097 -3.982 1.00 8.53 N ATOM 848 CA ARG A 54 6.136 8.786 -3.208 1.00 9.05 C ATOM 849 C ARG A 54 6.484 7.268 -3.371 1.00 8.96 C ATOM 850 O ARG A 54 5.554 6.490 -3.748 1.00 11.60 O ATOM 851 CB ARG A 54 6.153 9.235 -1.731 1.00 7.97 C ATOM 852 CG ARG A 54 5.961 10.717 -1.438 1.00 9.62 C ATOM 853 CD ARG A 54 7.021 11.620 -2.031 1.00 12.20 C ATOM 854 NE ARG A 54 6.465 12.980 -2.063 1.00 18.23 N ATOM 855 CZ ARG A 54 7.160 14.058 -2.408 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.067 13.945 -3.374 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.800 15.264 -1.908 1.00 23.38 N ATOM 0 H ARG A 54 4.051 9.029 -3.417 1.00 8.53 H new ATOM 0 HA ARG A 54 6.919 9.404 -3.647 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.372 8.686 -1.205 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.105 8.929 -1.299 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.987 11.025 -1.817 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.943 10.861 -0.358 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.931 11.590 -1.432 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.290 11.290 -3.035 1.00 12.20 H new ATOM 0 HE ARG A 54 5.486 13.104 -1.805 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.216 13.045 -3.831 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.614 14.758 -3.658 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.004 15.336 -1.275 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.325 16.100 -2.165 1.00 23.38 H new ATOM 871 N THR A 55 7.754 6.837 -3.290 1.00 9.05 N ATOM 872 CA THR A 55 8.051 5.436 -3.499 1.00 9.03 C ATOM 873 C THR A 55 8.382 4.733 -2.205 1.00 8.15 C ATOM 874 O THR A 55 8.574 5.395 -1.217 1.00 5.91 O ATOM 875 CB THR A 55 9.305 5.219 -4.359 1.00 11.15 C ATOM 876 OG1 THR A 55 10.491 5.742 -3.796 1.00 11.95 O ATOM 877 CG2 THR A 55 9.146 5.942 -5.725 1.00 11.71 C ATOM 0 H THR A 55 8.560 7.428 -3.087 1.00 9.05 H new ATOM 0 HA THR A 55 7.153 5.046 -3.977 1.00 9.03 H new ATOM 0 HB THR A 55 9.393 4.136 -4.447 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.325 6.651 -3.469 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.040 5.782 -6.327 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.279 5.542 -6.250 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.008 7.010 -5.557 1.00 11.71 H new ATOM 885 N LEU A 56 8.486 3.418 -2.153 1.00 6.91 N ATOM 886 CA LEU A 56 8.941 2.681 -1.010 1.00 8.29 C ATOM 887 C LEU A 56 10.361 3.025 -0.618 1.00 8.05 C ATOM 888 O LEU A 56 10.627 2.961 0.566 1.00 10.17 O ATOM 889 CB LEU A 56 8.888 1.198 -1.461 1.00 6.60 C ATOM 890 CG LEU A 56 7.521 0.623 -1.860 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.638 -0.644 -2.629 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.552 0.373 -0.642 1.00 8.64 C ATOM 0 H LEU A 56 8.244 2.819 -2.942 1.00 6.91 H new ATOM 0 HA LEU A 56 8.324 2.907 -0.140 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.562 1.081 -2.310 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.286 0.586 -0.651 1.00 6.60 H new ATOM 0 HG LEU A 56 7.088 1.401 -2.490 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.643 -1.007 -2.886 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.205 -0.464 -3.542 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.152 -1.391 -2.024 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.608 -0.033 -1.005 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.010 -0.335 0.048 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.367 1.315 -0.125 1.00 8.64 H new ATOM 904 N SER A 57 11.299 3.329 -1.538 1.00 8.92 N ATOM 905 CA SER A 57 12.620 3.885 -1.165 1.00 9.00 C ATOM 906 C SER A 57 12.615 5.197 -0.390 1.00 9.44 C ATOM 907 O SER A 57 13.484 5.444 0.479 1.00 10.91 O ATOM 908 CB SER A 57 13.525 4.000 -2.409 1.00 10.32 C ATOM 909 OG SER A 57 13.163 5.065 -3.307 1.00 13.59 O ATOM 0 H SER A 57 11.169 3.200 -2.541 1.00 8.92 H new ATOM 0 HA SER A 57 13.019 3.161 -0.455 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.554 4.149 -2.083 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.497 3.056 -2.953 1.00 10.32 H new ATOM 0 HG SER A 57 12.187 5.144 -3.344 1.00 13.59 H new ATOM 915 N ASP A 58 11.604 6.084 -0.553 1.00 9.11 N ATOM 916 CA ASP A 58 11.380 7.315 0.223 1.00 7.91 C ATOM 917 C ASP A 58 11.118 7.044 1.688 1.00 9.12 C ATOM 918 O ASP A 58 11.619 7.735 2.579 1.00 8.61 O ATOM 919 CB ASP A 58 10.180 8.141 -0.453 1.00 8.41 C ATOM 920 CG ASP A 58 10.708 8.620 -1.801 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.786 9.241 -1.892 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.987 8.378 -2.794 1.00 11.70 O ATOM 0 H ASP A 58 10.889 5.948 -1.268 1.00 9.11 H new ATOM 0 HA ASP A 58 12.293 7.910 0.199 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.297 7.514 -0.580 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.885 8.984 0.173 1.00 8.41 H new ATOM 927 N TYR A 59 10.310 6.028 2.050 1.00 7.97 N ATOM 928 CA TYR A 59 9.930 5.620 3.395 1.00 8.45 C ATOM 929 C TYR A 59 10.881 4.506 3.902 1.00 10.98 C ATOM 930 O TYR A 59 10.720 4.004 4.998 1.00 12.95 O ATOM 931 CB TYR A 59 8.501 4.963 3.304 1.00 7.94 C ATOM 932 CG TYR A 59 7.471 5.864 2.794 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.154 7.056 3.541 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.954 5.771 1.517 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.315 8.019 3.025 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.004 6.677 1.015 1.00 6.52 C ATOM 937 CZ TYR A 59 5.654 7.815 1.769 1.00 6.76 C ATOM 938 OH TYR A 59 4.724 8.724 1.218 1.00 7.63 O ATOM 0 H TYR A 59 9.878 5.431 1.345 1.00 7.97 H new ATOM 0 HA TYR A 59 9.963 6.485 4.057 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.555 4.086 2.660 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.208 4.614 4.294 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.582 7.196 4.523 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.293 4.969 0.878 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.154 8.936 3.572 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.543 6.502 0.054 1.00 6.52 H new ATOM 0 HH TYR A 59 4.944 9.634 1.509 1.00 7.63 H new ATOM 948 N ASN A 60 11.879 4.156 3.061 1.00 12.38 N ATOM 949 CA ASN A 60 13.050 3.309 3.298 1.00 13.94 C ATOM 950 C ASN A 60 12.599 1.879 3.720 1.00 14.16 C ATOM 951 O ASN A 60 13.130 1.287 4.647 1.00 14.26 O ATOM 952 CB ASN A 60 13.863 3.940 4.408 1.00 19.23 C ATOM 953 CG ASN A 60 14.512 5.131 3.720 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.186 4.915 2.687 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.195 6.373 4.198 1.00 24.09 N ATOM 0 H ASN A 60 11.876 4.501 2.101 1.00 12.38 H new ATOM 0 HA ASN A 60 13.646 3.226 2.389 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.235 4.249 5.243 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.606 3.250 4.807 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.513 7.206 3.703 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.640 6.466 5.049 1.00 24.09 H new ATOM 962 N ILE A 61 11.604 1.322 3.031 1.00 11.08 N ATOM 963 CA ILE A 61 10.982 0.040 3.287 1.00 11.78 C ATOM 964 C ILE A 61 11.710 -1.029 2.451 1.00 13.74 C ATOM 965 O ILE A 61 11.770 -0.856 1.247 1.00 14.60 O ATOM 966 CB ILE A 61 9.480 0.140 2.831 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.655 1.329 3.534 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.735 -1.202 2.974 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.344 1.718 2.794 1.00 11.42 C ATOM 0 H ILE A 61 11.189 1.793 2.227 1.00 11.08 H new ATOM 0 HA ILE A 61 11.037 -0.227 4.342 1.00 11.78 H new ATOM 0 HB ILE A 61 9.533 0.392 1.772 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.409 1.032 4.554 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.295 2.209 3.603 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.702 -1.082 2.647 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.225 -1.957 2.359 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.751 -1.517 4.017 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.848 2.526 3.332 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.581 2.048 1.783 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.682 0.853 2.748 1.00 11.42 H new ATOM 981 N GLN A 62 12.341 -2.058 3.120 1.00 13.97 N ATOM 982 CA GLN A 62 12.951 -3.241 2.532 1.00 15.52 C ATOM 983 C GLN A 62 11.984 -4.386 2.613 1.00 13.94 C ATOM 984 O GLN A 62 10.953 -4.252 3.251 1.00 12.15 O ATOM 985 CB GLN A 62 14.233 -3.636 3.214 1.00 19.53 C ATOM 986 CG GLN A 62 15.235 -2.506 3.154 1.00 26.38 C ATOM 987 CD GLN A 62 16.555 -2.817 3.875 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.298 -3.697 3.410 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.844 -2.027 4.978 1.00 32.71 N ATOM 0 H GLN A 62 12.425 -2.053 4.137 1.00 13.97 H new ATOM 0 HA GLN A 62 13.191 -3.000 1.497 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.033 -3.898 4.253 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.648 -4.523 2.736 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.447 -2.274 2.110 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.791 -1.614 3.595 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.174 -1.326 5.293 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.727 -2.148 5.474 1.00 32.71 H new ATOM 998 N LYS A 63 12.252 -5.488 1.891 1.00 11.73 N ATOM 999 CA LYS A 63 11.535 -6.790 1.942 1.00 11.97 C ATOM 1000 C LYS A 63 10.934 -7.235 3.347 1.00 10.41 C ATOM 1001 O LYS A 63 11.461 -6.959 4.414 1.00 9.59 O ATOM 1002 CB LYS A 63 12.308 -7.955 1.220 1.00 13.73 C ATOM 1003 CG LYS A 63 13.618 -8.333 1.871 1.00 16.98 C ATOM 1004 CD LYS A 63 14.417 -9.258 0.866 1.00 20.19 C ATOM 1005 CE LYS A 63 15.804 -9.639 1.337 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.791 -10.225 2.703 1.00 25.97 N ATOM 0 H LYS A 63 13.016 -5.503 1.216 1.00 11.73 H new ATOM 0 HA LYS A 63 10.641 -6.573 1.357 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.666 -8.835 1.187 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.500 -7.662 0.188 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.197 -7.440 2.109 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.439 -8.857 2.810 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.842 -10.168 0.693 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.500 -8.746 -0.093 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.239 -10.356 0.640 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.444 -8.757 1.328 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.740 -10.579 2.938 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.513 -9.496 3.391 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.110 -11.010 2.737 1.00 25.97 H new ATOM 1020 N GLU A 64 9.822 -8.031 3.313 1.00 10.04 N ATOM 1021 CA GLU A 64 9.216 -8.801 4.412 1.00 10.94 C ATOM 1022 C GLU A 64 8.622 -7.992 5.476 1.00 9.74 C ATOM 1023 O GLU A 64 7.802 -8.438 6.265 1.00 9.42 O ATOM 1024 CB GLU A 64 10.224 -9.839 4.975 1.00 18.31 C ATOM 1025 CG GLU A 64 10.716 -10.817 3.882 1.00 24.16 C ATOM 1026 CD GLU A 64 11.461 -11.998 4.388 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.629 -11.898 4.799 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.951 -13.116 4.293 1.00 31.72 O ATOM 0 H GLU A 64 9.298 -8.150 2.446 1.00 10.04 H new ATOM 0 HA GLU A 64 8.371 -9.327 3.968 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.078 -9.318 5.407 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.753 -10.402 5.781 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.854 -11.166 3.313 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.356 -10.272 3.189 1.00 24.16 H new ATOM 1035 N SER A 65 8.893 -6.677 5.487 1.00 6.85 N ATOM 1036 CA SER A 65 8.339 -5.631 6.249 1.00 6.90 C ATOM 1037 C SER A 65 6.894 -5.368 5.917 1.00 4.72 C ATOM 1038 O SER A 65 6.553 -5.107 4.757 1.00 3.91 O ATOM 1039 CB SER A 65 9.090 -4.298 6.078 1.00 7.28 C ATOM 1040 OG SER A 65 10.476 -4.572 6.159 1.00 10.56 O ATOM 0 H SER A 65 9.611 -6.311 4.861 1.00 6.85 H new ATOM 0 HA SER A 65 8.431 -5.981 7.277 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.846 -3.842 5.119 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.794 -3.590 6.852 1.00 7.28 H new ATOM 0 HG SER A 65 10.878 -4.491 5.269 1.00 10.56 H new ATOM 1046 N THR A 66 6.021 -5.494 6.916 1.00 4.48 N ATOM 1047 CA THR A 66 4.567 -5.354 6.862 1.00 3.80 C ATOM 1048 C THR A 66 4.211 -3.921 6.542 1.00 4.60 C ATOM 1049 O THR A 66 4.811 -2.991 7.061 1.00 5.33 O ATOM 1050 CB THR A 66 3.827 -5.898 8.132 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.236 -7.217 8.522 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.309 -6.032 7.839 1.00 3.40 C ATOM 0 H THR A 66 6.339 -5.714 7.860 1.00 4.48 H new ATOM 0 HA THR A 66 4.204 -5.994 6.058 1.00 3.80 H new ATOM 0 HB THR A 66 4.067 -5.184 8.920 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.737 -7.492 9.319 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.799 -6.411 8.725 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.902 -5.056 7.575 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.158 -6.724 7.010 1.00 3.40 H new ATOM 1060 N LEU A 67 3.171 -3.647 5.770 1.00 4.17 N ATOM 1061 CA LEU A 67 2.494 -2.420 5.423 1.00 3.85 C ATOM 1062 C LEU A 67 1.053 -2.621 5.852 1.00 3.80 C ATOM 1063 O LEU A 67 0.583 -3.805 5.878 1.00 5.54 O ATOM 1064 CB LEU A 67 2.575 -2.064 3.896 1.00 7.18 C ATOM 1065 CG LEU A 67 3.776 -1.131 3.442 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.150 -1.792 3.646 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.671 -0.570 2.031 1.00 11.66 C ATOM 0 H LEU A 67 2.711 -4.423 5.295 1.00 4.17 H new ATOM 0 HA LEU A 67 2.972 -1.578 5.924 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.636 -2.995 3.333 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.641 -1.579 3.610 1.00 7.18 H new ATOM 0 HG LEU A 67 3.687 -0.276 4.112 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.934 -1.109 3.319 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.289 -2.025 4.702 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.202 -2.711 3.062 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.541 0.053 1.821 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.632 -1.391 1.315 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.765 0.030 1.945 1.00 11.66 H new ATOM 1079 N HIS A 68 0.362 -1.589 6.218 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.022 -1.690 6.699 1.00 4.17 C ATOM 1081 C HIS A 68 -1.939 -0.943 5.774 1.00 5.32 C ATOM 1082 O HIS A 68 -1.601 0.175 5.383 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.137 -1.162 8.174 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.332 -2.082 9.081 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.859 -3.162 9.746 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.909 -1.838 9.610 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.127 -3.637 10.598 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.207 -2.869 10.488 1.00 16.30 N ATOM 0 H HIS A 68 0.724 -0.636 6.200 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.322 -2.738 6.704 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.762 -0.141 8.241 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.181 -1.139 8.488 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.542 -0.993 9.383 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.033 -4.495 11.248 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.097 -3.013 10.965 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.068 -1.573 5.427 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.112 -1.069 4.563 1.00 3.97 C ATOM 1098 C LEU A 69 -5.406 -0.802 5.229 1.00 5.07 C ATOM 1099 O LEU A 69 -5.883 -1.599 6.056 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.298 -2.149 3.382 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.308 -1.789 2.323 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.924 -0.550 1.485 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.640 -2.930 1.320 1.00 9.96 C ATOM 0 H LEU A 69 -3.278 -2.510 5.772 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.800 -0.091 4.196 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.333 -2.304 2.900 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.588 -3.101 3.827 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.189 -1.576 2.929 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.701 -0.356 0.745 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.823 0.315 2.140 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.977 -0.733 0.977 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.375 -2.576 0.597 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.732 -3.230 0.797 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.046 -3.784 1.862 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.065 0.310 4.933 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.426 0.709 5.356 1.00 6.26 C ATOM 1117 C VAL A 70 -8.275 1.217 4.218 1.00 9.22 C ATOM 1118 O VAL A 70 -7.765 1.721 3.214 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.474 1.714 6.516 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.085 1.047 7.860 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.724 3.086 6.333 1.00 8.54 C ATOM 0 H VAL A 70 -5.638 1.024 4.343 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.847 -0.226 5.725 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.523 2.009 6.522 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.129 1.787 8.659 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.779 0.235 8.078 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.073 0.650 7.789 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.846 3.690 7.232 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.664 2.901 6.161 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.142 3.618 5.479 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.613 1.049 4.337 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.590 1.592 3.458 1.00 16.06 C ATOM 1133 C LEU A 71 -10.586 3.098 3.422 1.00 18.09 C ATOM 1134 O LEU A 71 -10.296 3.732 4.469 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.989 1.080 3.882 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.204 1.572 2.999 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.035 0.966 1.646 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.509 1.012 3.681 1.00 19.57 C ATOM 0 H LEU A 71 -10.025 0.502 5.093 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.342 1.258 2.450 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.974 -0.010 3.869 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.168 1.384 4.913 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.258 2.657 2.913 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.856 1.281 1.001 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.089 1.295 1.216 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.037 -0.121 1.731 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.382 1.325 3.108 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.465 -0.077 3.711 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.584 1.400 4.697 1.00 19.57 H new