USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 124:sc= 0.577 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.524 USER MOD Set 2.1: A 7 THR OG1 : rot -32:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 0.929 (180deg=-0.2) USER MOD Set 3.2: A 12 THR OG1 : rot 120:sc= 0.727 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00995) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.39 (180deg=2.11) USER MOD Single : A 2 GLN : amide:sc= -0.63 K(o=-0.63,f=-2.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0117 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.6 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ -99:sc= 1.18 (180deg=0.0646) USER MOD Single : A 31 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.672) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= -0.351 K(o=-0.35,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 1.19 (180deg=0.296) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.452 USER MOD Single : A 60 ASN : amide:sc=-0.000178 X(o=-0.00018,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.412 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.154 K(o=0.15,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.991 -7.641 -5.066 1.00 9.67 N ATOM 2 CA MET A 1 10.989 -7.868 -3.560 1.00 10.38 C ATOM 3 C MET A 1 9.614 -8.068 -2.959 1.00 9.62 C ATOM 4 O MET A 1 8.645 -7.329 -3.302 1.00 9.62 O ATOM 5 CB MET A 1 11.750 -6.660 -2.838 1.00 13.77 C ATOM 6 CG MET A 1 11.038 -5.291 -2.815 1.00 16.29 C ATOM 7 SD MET A 1 12.101 -4.074 -2.067 1.00 17.17 S ATOM 8 CE MET A 1 10.736 -2.852 -2.019 1.00 16.11 C ATOM 0 H1 MET A 1 11.967 -7.682 -5.422 1.00 9.67 H new ATOM 0 H2 MET A 1 10.422 -8.378 -5.529 1.00 9.67 H new ATOM 0 H3 MET A 1 10.585 -6.707 -5.277 1.00 9.67 H new ATOM 0 HA MET A 1 11.514 -8.808 -3.389 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.950 -6.954 -1.808 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.716 -6.530 -3.325 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.779 -4.988 -3.830 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.105 -5.365 -2.257 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.109 -1.905 -1.628 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.348 -2.701 -3.026 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.939 -3.222 -1.374 1.00 16.11 H new ATOM 20 N GLN A 2 9.421 -8.944 -2.004 1.00 9.27 N ATOM 21 CA GLN A 2 8.166 -9.115 -1.285 1.00 9.07 C ATOM 22 C GLN A 2 7.827 -8.025 -0.330 1.00 8.72 C ATOM 23 O GLN A 2 8.719 -7.494 0.394 1.00 8.22 O ATOM 24 CB GLN A 2 8.140 -10.414 -0.507 1.00 14.46 C ATOM 25 CG GLN A 2 7.963 -11.605 -1.542 1.00 17.01 C ATOM 26 CD GLN A 2 7.916 -12.927 -0.827 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.901 -13.609 -0.690 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.103 -13.328 -0.318 1.00 19.49 N ATOM 0 H GLN A 2 10.152 -9.582 -1.690 1.00 9.27 H new ATOM 0 HA GLN A 2 7.423 -9.105 -2.082 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.063 -10.537 0.060 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.321 -10.410 0.213 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.047 -11.463 -2.115 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.788 -11.600 -2.254 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.933 -12.748 -0.442 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.168 -14.210 0.190 1.00 19.49 H new ATOM 37 N ILE A 3 6.523 -7.638 -0.163 1.00 5.87 N ATOM 38 CA ILE A 3 6.084 -6.773 0.940 1.00 5.07 C ATOM 39 C ILE A 3 4.749 -7.312 1.477 1.00 4.01 C ATOM 40 O ILE A 3 4.068 -8.128 0.845 1.00 4.61 O ATOM 41 CB ILE A 3 5.783 -5.304 0.561 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.869 -5.251 -0.643 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.154 -4.603 0.480 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.494 -3.811 -0.962 1.00 10.83 C ATOM 0 H ILE A 3 5.770 -7.922 -0.789 1.00 5.87 H new ATOM 0 HA ILE A 3 6.916 -6.784 1.644 1.00 5.07 H new ATOM 0 HB ILE A 3 5.201 -4.745 1.294 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.363 -5.704 -1.503 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.968 -5.834 -0.450 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.012 -3.555 0.214 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.653 -4.668 1.447 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.767 -5.090 -0.279 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.836 -3.790 -1.831 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.980 -3.371 -0.107 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.397 -3.239 -1.177 1.00 10.83 H new ATOM 56 N PHE A 4 4.391 -6.906 2.695 1.00 4.55 N ATOM 57 CA PHE A 4 3.187 -7.455 3.376 1.00 4.68 C ATOM 58 C PHE A 4 2.243 -6.252 3.581 1.00 5.30 C ATOM 59 O PHE A 4 2.688 -5.168 3.993 1.00 5.58 O ATOM 60 CB PHE A 4 3.515 -8.044 4.827 1.00 4.83 C ATOM 61 CG PHE A 4 4.587 -9.152 4.715 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.269 -10.438 4.286 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.914 -8.887 5.091 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.275 -11.406 4.119 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.920 -9.900 4.947 1.00 10.61 C ATOM 66 CZ PHE A 4 6.566 -11.111 4.442 1.00 8.90 C ATOM 0 H PHE A 4 4.901 -6.208 3.236 1.00 4.55 H new ATOM 0 HA PHE A 4 2.771 -8.263 2.774 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.870 -7.247 5.481 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.609 -8.447 5.279 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.240 -10.694 4.080 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.178 -7.918 5.489 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.025 -12.384 3.735 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.942 -9.703 5.235 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.329 -11.861 4.292 1.00 8.90 H new ATOM 76 N VAL A 5 0.965 -6.412 3.257 1.00 4.44 N ATOM 77 CA VAL A 5 -0.037 -5.397 3.445 1.00 3.87 C ATOM 78 C VAL A 5 -1.118 -6.009 4.280 1.00 4.93 C ATOM 79 O VAL A 5 -1.847 -6.923 3.895 1.00 6.84 O ATOM 80 CB VAL A 5 -0.592 -4.789 2.229 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.639 -3.761 2.549 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.474 -4.183 1.460 1.00 9.13 C ATOM 0 H VAL A 5 0.600 -7.272 2.849 1.00 4.44 H new ATOM 0 HA VAL A 5 0.451 -4.551 3.929 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.069 -5.577 1.646 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.025 -3.334 1.623 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.454 -4.231 3.100 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.199 -2.970 3.157 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.061 -3.732 0.558 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.963 -3.414 2.059 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.202 -4.946 1.184 1.00 9.13 H new ATOM 92 N LYS A 6 -1.162 -5.605 5.546 1.00 6.04 N ATOM 93 CA LYS A 6 -2.013 -6.191 6.616 1.00 6.12 C ATOM 94 C LYS A 6 -3.296 -5.564 6.693 1.00 6.57 C ATOM 95 O LYS A 6 -3.378 -4.292 6.679 1.00 5.76 O ATOM 96 CB LYS A 6 -1.223 -6.129 7.937 1.00 7.45 C ATOM 97 CG LYS A 6 -0.017 -7.084 7.909 1.00 11.12 C ATOM 98 CD LYS A 6 0.606 -7.510 9.260 1.00 14.54 C ATOM 99 CE LYS A 6 1.573 -8.697 9.088 1.00 18.84 C ATOM 100 NZ LYS A 6 0.883 -9.954 8.777 1.00 20.55 N ATOM 0 H LYS A 6 -0.589 -4.831 5.884 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.237 -7.233 6.387 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.879 -5.109 8.111 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.878 -6.390 8.768 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.320 -7.988 7.381 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.766 -6.615 7.314 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.139 -6.666 9.698 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.186 -7.783 9.957 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.281 -8.470 8.291 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.152 -8.823 10.003 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.580 -10.671 8.490 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.371 -10.286 9.619 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.208 -9.797 8.001 1.00 20.55 H new ATOM 114 N THR A 7 -4.287 -6.393 6.860 1.00 7.41 N ATOM 115 CA THR A 7 -5.692 -5.966 7.019 1.00 7.48 C ATOM 116 C THR A 7 -6.196 -6.336 8.353 1.00 8.75 C ATOM 117 O THR A 7 -5.730 -7.279 9.041 1.00 8.58 O ATOM 118 CB THR A 7 -6.630 -6.511 5.869 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.955 -7.850 6.025 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.980 -6.305 4.522 1.00 9.17 C ATOM 0 H THR A 7 -4.164 -7.405 6.893 1.00 7.41 H new ATOM 0 HA THR A 7 -5.711 -4.880 6.933 1.00 7.48 H new ATOM 0 HB THR A 7 -7.558 -5.942 5.930 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.210 -8.319 6.455 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.637 -6.685 3.739 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.803 -5.241 4.362 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.031 -6.840 4.490 1.00 9.17 H new ATOM 128 N LEU A 8 -7.225 -5.623 8.774 1.00 9.84 N ATOM 129 CA LEU A 8 -7.923 -5.929 10.009 1.00 14.15 C ATOM 130 C LEU A 8 -8.848 -7.051 9.947 1.00 17.37 C ATOM 131 O LEU A 8 -9.218 -7.583 11.016 1.00 17.01 O ATOM 132 CB LEU A 8 -8.620 -4.620 10.566 1.00 16.63 C ATOM 133 CG LEU A 8 -7.576 -3.552 10.996 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.397 -2.240 11.370 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.672 -4.002 12.141 1.00 18.59 C ATOM 0 H LEU A 8 -7.599 -4.818 8.271 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.158 -6.271 10.706 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.274 -4.202 9.801 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.250 -4.877 11.418 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.885 -3.369 10.173 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.707 -1.455 11.680 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.962 -1.904 10.500 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.085 -2.462 12.186 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.970 -3.205 12.385 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.280 -4.231 13.016 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.119 -4.892 11.840 1.00 18.59 H new ATOM 147 N THR A 9 -9.205 -7.604 8.811 1.00 18.33 N ATOM 148 CA THR A 9 -10.354 -8.584 8.744 1.00 19.24 C ATOM 149 C THR A 9 -9.788 -9.937 8.504 1.00 19.48 C ATOM 150 O THR A 9 -10.422 -10.827 7.869 1.00 23.14 O ATOM 151 CB THR A 9 -11.410 -8.159 7.722 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.788 -8.043 6.403 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.965 -6.775 8.027 1.00 19.70 C ATOM 0 H THR A 9 -8.750 -7.421 7.917 1.00 18.33 H new ATOM 0 HA THR A 9 -10.896 -8.603 9.689 1.00 19.24 H new ATOM 0 HB THR A 9 -12.201 -8.908 7.757 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.463 -7.772 5.746 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.712 -6.509 7.279 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.426 -6.777 9.015 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.155 -6.046 8.006 1.00 19.70 H new ATOM 161 N GLY A 10 -8.546 -10.211 8.952 1.00 19.43 N ATOM 162 CA GLY A 10 -7.933 -11.515 9.109 1.00 18.74 C ATOM 163 C GLY A 10 -7.227 -11.952 7.791 1.00 17.62 C ATOM 164 O GLY A 10 -7.199 -13.120 7.424 1.00 19.74 O ATOM 0 H GLY A 10 -7.912 -9.462 9.230 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.209 -11.487 9.923 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.691 -12.249 9.382 1.00 18.74 H new ATOM 168 N LYS A 11 -6.584 -11.008 7.090 1.00 13.56 N ATOM 169 CA LYS A 11 -5.838 -11.171 5.895 1.00 11.91 C ATOM 170 C LYS A 11 -4.527 -10.245 5.798 1.00 10.18 C ATOM 171 O LYS A 11 -4.621 -9.065 6.117 1.00 9.10 O ATOM 172 CB LYS A 11 -6.768 -11.013 4.639 1.00 13.43 C ATOM 173 CG LYS A 11 -6.139 -11.486 3.268 1.00 16.69 C ATOM 174 CD LYS A 11 -7.221 -11.608 2.214 1.00 17.92 C ATOM 175 CE LYS A 11 -6.663 -11.979 0.820 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.086 -13.346 0.695 1.00 21.93 N ATOM 0 H LYS A 11 -6.591 -10.035 7.396 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.449 -12.189 5.917 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.684 -11.577 4.813 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.051 -9.965 4.547 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.381 -10.774 2.942 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.639 -12.446 3.400 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.941 -12.365 2.525 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.761 -10.664 2.144 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.465 -11.876 0.089 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.893 -11.255 0.553 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.742 -13.490 -0.276 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.295 -13.451 1.362 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.817 -14.053 0.912 1.00 21.93 H new ATOM 190 N THR A 12 -3.421 -10.828 5.310 1.00 9.63 N ATOM 191 CA THR A 12 -2.216 -10.218 4.858 1.00 9.85 C ATOM 192 C THR A 12 -1.943 -10.651 3.469 1.00 11.66 C ATOM 193 O THR A 12 -1.776 -11.833 3.211 1.00 12.33 O ATOM 194 CB THR A 12 -1.023 -10.577 5.742 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.277 -10.158 7.065 1.00 10.91 O ATOM 196 CG2 THR A 12 0.240 -9.772 5.267 1.00 9.63 C ATOM 0 H THR A 12 -3.371 -11.843 5.225 1.00 9.63 H new ATOM 0 HA THR A 12 -2.351 -9.137 4.906 1.00 9.85 H new ATOM 0 HB THR A 12 -0.861 -11.653 5.683 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.259 -10.934 7.663 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.092 -10.027 5.897 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.465 -10.026 4.231 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.040 -8.703 5.343 1.00 9.63 H new ATOM 204 N ILE A 13 -1.877 -9.716 2.538 1.00 10.42 N ATOM 205 CA ILE A 13 -1.531 -10.032 1.143 1.00 11.84 C ATOM 206 C ILE A 13 -0.009 -9.876 1.028 1.00 10.55 C ATOM 207 O ILE A 13 0.541 -8.812 1.469 1.00 11.92 O ATOM 208 CB ILE A 13 -2.259 -9.187 0.166 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.184 -7.645 0.527 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.728 -9.652 0.137 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.161 -6.767 -0.248 1.00 16.46 C ATOM 0 H ILE A 13 -2.057 -8.727 2.712 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.836 -11.049 0.897 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.791 -9.301 -0.812 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.374 -7.525 1.594 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.170 -7.290 0.342 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.288 -9.046 -0.575 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.772 -10.699 -0.164 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.164 -9.541 1.130 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.041 -5.729 0.062 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.959 -6.853 -1.316 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.182 -7.091 -0.044 1.00 16.46 H new ATOM 223 N THR A 14 0.671 -10.847 0.358 1.00 9.39 N ATOM 224 CA THR A 14 2.095 -10.668 -0.051 1.00 9.63 C ATOM 225 C THR A 14 2.180 -10.182 -1.453 1.00 11.20 C ATOM 226 O THR A 14 1.685 -10.798 -2.407 1.00 11.63 O ATOM 227 CB THR A 14 2.823 -11.985 0.042 1.00 10.38 C ATOM 228 OG1 THR A 14 2.740 -12.569 1.344 1.00 16.30 O ATOM 229 CG2 THR A 14 4.333 -11.688 -0.186 1.00 11.66 C ATOM 0 H THR A 14 0.267 -11.745 0.093 1.00 9.39 H new ATOM 0 HA THR A 14 2.550 -9.936 0.616 1.00 9.63 H new ATOM 0 HB THR A 14 2.378 -12.664 -0.685 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.225 -13.420 1.352 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.900 -12.617 -0.127 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.471 -11.241 -1.170 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.688 -10.998 0.579 1.00 11.66 H new ATOM 237 N LEU A 15 2.899 -9.092 -1.720 1.00 8.29 N ATOM 238 CA LEU A 15 2.946 -8.413 -2.968 1.00 9.03 C ATOM 239 C LEU A 15 4.380 -8.337 -3.402 1.00 8.59 C ATOM 240 O LEU A 15 5.259 -7.876 -2.684 1.00 7.79 O ATOM 241 CB LEU A 15 2.333 -7.014 -2.984 1.00 11.08 C ATOM 242 CG LEU A 15 0.948 -6.888 -2.324 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.646 -5.398 -2.135 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.121 -7.703 -3.074 1.00 15.27 C ATOM 0 H LEU A 15 3.490 -8.652 -1.015 1.00 8.29 H new ATOM 0 HA LEU A 15 2.328 -8.993 -3.653 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.018 -6.331 -2.483 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.254 -6.683 -4.020 1.00 11.08 H new ATOM 0 HG LEU A 15 0.938 -7.340 -1.332 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.332 -5.281 -1.668 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.408 -4.950 -1.497 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.647 -4.901 -3.105 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.083 -7.587 -2.576 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.198 -7.344 -4.100 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.161 -8.756 -3.078 1.00 15.27 H new ATOM 256 N GLU A 16 4.661 -8.827 -4.649 1.00 11.04 N ATOM 257 CA GLU A 16 5.976 -8.607 -5.233 1.00 11.50 C ATOM 258 C GLU A 16 5.996 -7.228 -5.857 1.00 10.13 C ATOM 259 O GLU A 16 5.213 -6.913 -6.757 1.00 9.83 O ATOM 260 CB GLU A 16 6.137 -9.623 -6.433 1.00 17.22 C ATOM 261 CG GLU A 16 7.559 -9.751 -7.117 1.00 23.33 C ATOM 262 CD GLU A 16 8.647 -10.168 -6.248 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.471 -11.194 -5.584 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.725 -9.522 -6.335 1.00 28.90 O ATOM 0 H GLU A 16 4.008 -9.353 -5.230 1.00 11.04 H new ATOM 0 HA GLU A 16 6.751 -8.722 -4.476 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.850 -10.611 -6.074 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.420 -9.344 -7.205 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.483 -10.463 -7.938 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.818 -8.787 -7.554 1.00 23.33 H new ATOM 271 N VAL A 17 6.972 -6.410 -5.396 1.00 8.99 N ATOM 272 CA VAL A 17 7.178 -4.978 -5.779 1.00 8.85 C ATOM 273 C VAL A 17 8.647 -4.691 -6.098 1.00 8.04 C ATOM 274 O VAL A 17 9.454 -5.605 -5.974 1.00 8.99 O ATOM 275 CB VAL A 17 6.662 -4.025 -4.656 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.109 -4.069 -4.501 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.372 -4.355 -3.282 1.00 10.54 C ATOM 0 H VAL A 17 7.667 -6.733 -4.723 1.00 8.99 H new ATOM 0 HA VAL A 17 6.599 -4.791 -6.683 1.00 8.85 H new ATOM 0 HB VAL A 17 6.920 -3.009 -4.954 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.803 -3.388 -3.707 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.641 -3.767 -5.438 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.797 -5.083 -4.250 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.001 -3.681 -2.510 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.156 -5.385 -2.999 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.449 -4.226 -3.389 1.00 10.54 H new ATOM 287 N GLU A 18 9.044 -3.446 -6.493 1.00 7.29 N ATOM 288 CA GLU A 18 10.395 -3.053 -6.806 1.00 7.08 C ATOM 289 C GLU A 18 10.622 -1.700 -6.082 1.00 6.45 C ATOM 290 O GLU A 18 9.623 -1.061 -5.696 1.00 5.28 O ATOM 291 CB GLU A 18 10.699 -2.835 -8.344 1.00 10.28 C ATOM 292 CG GLU A 18 10.564 -4.087 -9.193 1.00 12.65 C ATOM 293 CD GLU A 18 11.053 -4.013 -10.590 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.231 -3.786 -10.913 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.149 -4.291 -11.426 1.00 18.17 O ATOM 0 H GLU A 18 8.381 -2.678 -6.597 1.00 7.29 H new ATOM 0 HA GLU A 18 11.053 -3.863 -6.490 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.022 -2.073 -8.731 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.712 -2.446 -8.450 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.096 -4.895 -8.691 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.511 -4.367 -9.218 1.00 12.65 H new ATOM 302 N PRO A 19 11.823 -1.204 -5.771 1.00 7.24 N ATOM 303 CA PRO A 19 11.962 0.092 -5.164 1.00 7.07 C ATOM 304 C PRO A 19 11.473 1.300 -5.964 1.00 6.65 C ATOM 305 O PRO A 19 10.935 2.239 -5.397 1.00 6.37 O ATOM 306 CB PRO A 19 13.455 0.309 -4.871 1.00 7.61 C ATOM 307 CG PRO A 19 13.883 -1.113 -4.578 1.00 8.16 C ATOM 308 CD PRO A 19 13.061 -1.997 -5.639 1.00 7.49 C ATOM 0 HA PRO A 19 11.317 0.057 -4.286 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.987 0.736 -5.721 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.620 0.975 -4.024 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.958 -1.239 -4.703 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.645 -1.398 -3.553 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.589 -2.098 -6.587 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.867 -3.005 -5.273 1.00 7.49 H new ATOM 316 N SER A 20 11.630 1.244 -7.291 1.00 6.80 N ATOM 317 CA SER A 20 11.296 2.392 -8.188 1.00 6.28 C ATOM 318 C SER A 20 9.865 2.512 -8.607 1.00 8.45 C ATOM 319 O SER A 20 9.503 3.494 -9.176 1.00 7.26 O ATOM 320 CB SER A 20 12.108 2.278 -9.511 1.00 8.57 C ATOM 321 OG SER A 20 13.516 2.151 -9.175 1.00 11.13 O ATOM 0 H SER A 20 11.985 0.423 -7.782 1.00 6.80 H new ATOM 0 HA SER A 20 11.538 3.264 -7.581 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.776 1.414 -10.087 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.944 3.158 -10.133 1.00 8.57 H new ATOM 0 HG SER A 20 14.043 2.076 -9.998 1.00 11.13 H new ATOM 327 N ASP A 21 9.033 1.533 -8.284 1.00 7.50 N ATOM 328 CA ASP A 21 7.603 1.643 -8.296 1.00 7.70 C ATOM 329 C ASP A 21 7.032 2.682 -7.335 1.00 7.08 C ATOM 330 O ASP A 21 7.547 2.836 -6.225 1.00 8.11 O ATOM 331 CB ASP A 21 7.073 0.234 -7.859 1.00 11.00 C ATOM 332 CG ASP A 21 7.224 -0.945 -8.744 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.658 -0.804 -9.935 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.964 -2.087 -8.281 1.00 14.36 O ATOM 0 H ASP A 21 9.359 0.610 -7.997 1.00 7.50 H new ATOM 0 HA ASP A 21 7.294 1.963 -9.291 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.559 -0.011 -6.914 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.009 0.343 -7.651 1.00 11.00 H new ATOM 339 N THR A 22 5.954 3.463 -7.734 1.00 5.37 N ATOM 340 CA THR A 22 5.206 4.334 -6.850 1.00 6.01 C ATOM 341 C THR A 22 4.297 3.559 -5.892 1.00 8.01 C ATOM 342 O THR A 22 3.988 2.365 -6.186 1.00 8.11 O ATOM 343 CB THR A 22 4.390 5.428 -7.627 1.00 8.92 C ATOM 344 OG1 THR A 22 3.457 4.847 -8.566 1.00 10.22 O ATOM 345 CG2 THR A 22 5.297 6.411 -8.393 1.00 9.65 C ATOM 0 H THR A 22 5.611 3.476 -8.694 1.00 5.37 H new ATOM 0 HA THR A 22 5.955 4.849 -6.249 1.00 6.01 H new ATOM 0 HB THR A 22 3.843 5.972 -6.857 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.969 5.561 -9.027 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.681 7.145 -8.912 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.956 6.921 -7.690 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.897 5.862 -9.119 1.00 9.65 H new ATOM 353 N ILE A 23 3.763 4.269 -4.843 1.00 8.32 N ATOM 354 CA ILE A 23 2.755 3.818 -3.944 1.00 9.92 C ATOM 355 C ILE A 23 1.461 3.543 -4.702 1.00 10.01 C ATOM 356 O ILE A 23 0.737 2.545 -4.556 1.00 8.71 O ATOM 357 CB ILE A 23 2.541 4.683 -2.711 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.855 5.147 -2.049 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.717 3.949 -1.657 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.845 4.075 -1.641 1.00 12.30 C ATOM 0 H ILE A 23 4.072 5.217 -4.630 1.00 8.32 H new ATOM 0 HA ILE A 23 3.128 2.884 -3.523 1.00 9.92 H new ATOM 0 HB ILE A 23 2.010 5.563 -3.074 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.358 5.826 -2.738 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.599 5.725 -1.161 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.581 4.593 -0.788 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.743 3.690 -2.072 1.00 10.90 H new ATOM 0 HG23 ILE A 23 2.237 3.039 -1.357 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.721 4.541 -1.190 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.378 3.405 -0.919 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.149 3.507 -2.520 1.00 12.30 H new ATOM 372 N GLU A 24 1.032 4.442 -5.624 1.00 9.54 N ATOM 373 CA GLU A 24 -0.098 4.345 -6.585 1.00 11.81 C ATOM 374 C GLU A 24 -0.038 3.058 -7.445 1.00 11.14 C ATOM 375 O GLU A 24 -1.061 2.417 -7.634 1.00 10.62 O ATOM 376 CB GLU A 24 -0.071 5.520 -7.550 1.00 19.24 C ATOM 377 CG GLU A 24 -1.440 5.740 -8.215 1.00 27.76 C ATOM 378 CD GLU A 24 -1.430 6.885 -9.207 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.415 8.106 -8.864 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.537 6.561 -10.454 1.00 34.80 O ATOM 0 H GLU A 24 1.512 5.336 -5.723 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.005 4.337 -5.981 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.224 6.423 -7.016 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.683 5.344 -8.318 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.743 4.825 -8.725 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.186 5.938 -7.445 1.00 27.76 H new ATOM 387 N ASN A 25 1.170 2.667 -7.819 1.00 9.43 N ATOM 388 CA ASN A 25 1.415 1.381 -8.474 1.00 10.96 C ATOM 389 C ASN A 25 1.104 0.118 -7.643 1.00 9.68 C ATOM 390 O ASN A 25 0.590 -0.878 -8.186 1.00 9.33 O ATOM 391 CB ASN A 25 2.863 1.378 -9.037 1.00 16.78 C ATOM 392 CG ASN A 25 3.157 0.155 -10.020 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.504 -0.924 -9.508 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.082 0.412 -11.314 1.00 24.70 N ATOM 0 H ASN A 25 2.011 3.228 -7.680 1.00 9.43 H new ATOM 0 HA ASN A 25 0.686 1.306 -9.281 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.040 2.313 -9.569 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.568 1.345 -8.206 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.321 -0.311 -11.992 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.785 1.334 -11.635 1.00 24.70 H new ATOM 401 N VAL A 26 1.412 0.138 -6.320 1.00 6.52 N ATOM 402 CA VAL A 26 1.004 -0.872 -5.378 1.00 5.53 C ATOM 403 C VAL A 26 -0.452 -0.961 -5.166 1.00 4.42 C ATOM 404 O VAL A 26 -1.113 -2.005 -5.219 1.00 3.40 O ATOM 405 CB VAL A 26 1.820 -0.743 -4.053 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.582 -1.876 -3.056 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.354 -0.681 -4.271 1.00 8.12 C ATOM 0 H VAL A 26 1.964 0.884 -5.895 1.00 6.52 H new ATOM 0 HA VAL A 26 1.246 -1.835 -5.828 1.00 5.53 H new ATOM 0 HB VAL A 26 1.447 0.198 -3.649 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.187 -1.709 -2.164 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.528 -1.902 -2.780 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.862 -2.826 -3.511 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.855 -0.592 -3.307 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.688 -1.591 -4.771 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.599 0.183 -4.889 1.00 8.12 H new ATOM 417 N LYS A 27 -1.111 0.178 -5.022 1.00 2.64 N ATOM 418 CA LYS A 27 -2.584 0.253 -5.050 1.00 4.14 C ATOM 419 C LYS A 27 -3.196 -0.315 -6.315 1.00 5.58 C ATOM 420 O LYS A 27 -4.169 -1.067 -6.216 1.00 4.11 O ATOM 421 CB LYS A 27 -3.147 1.692 -4.923 1.00 3.97 C ATOM 422 CG LYS A 27 -2.668 2.309 -3.605 1.00 7.45 C ATOM 423 CD LYS A 27 -3.233 3.681 -3.293 1.00 9.02 C ATOM 424 CE LYS A 27 -3.139 3.940 -1.801 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.462 5.316 -1.462 1.00 15.47 N ATOM 0 H LYS A 27 -0.653 1.079 -4.882 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.859 -0.343 -4.180 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.815 2.300 -5.764 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.236 1.673 -4.954 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.927 1.633 -2.790 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.580 2.378 -3.628 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.683 4.446 -3.841 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.272 3.741 -3.619 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.817 3.269 -1.274 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.131 3.710 -1.457 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.934 5.597 -0.611 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.201 5.939 -2.253 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.482 5.398 -1.279 1.00 15.47 H new ATOM 439 N ALA A 28 -2.573 -0.088 -7.484 1.00 6.61 N ATOM 440 CA ALA A 28 -2.916 -0.761 -8.735 1.00 7.74 C ATOM 441 C ALA A 28 -2.693 -2.285 -8.712 1.00 9.17 C ATOM 442 O ALA A 28 -3.459 -3.153 -9.253 1.00 11.45 O ATOM 443 CB ALA A 28 -2.253 -0.049 -9.878 1.00 7.68 C ATOM 0 H ALA A 28 -1.807 0.579 -7.581 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.994 -0.689 -8.879 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.506 -0.548 -10.813 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.599 0.984 -9.913 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.172 -0.066 -9.739 1.00 7.68 H new ATOM 449 N LYS A 29 -1.589 -2.723 -8.028 1.00 8.96 N ATOM 450 CA LYS A 29 -1.305 -4.192 -7.819 1.00 7.90 C ATOM 451 C LYS A 29 -2.228 -4.926 -6.840 1.00 6.92 C ATOM 452 O LYS A 29 -2.623 -6.053 -7.091 1.00 6.87 O ATOM 453 CB LYS A 29 0.173 -4.350 -7.380 1.00 10.28 C ATOM 454 CG LYS A 29 0.704 -5.816 -7.248 1.00 14.94 C ATOM 455 CD LYS A 29 2.244 -5.916 -7.309 1.00 19.69 C ATOM 456 CE LYS A 29 2.759 -5.641 -8.729 1.00 22.63 C ATOM 457 NZ LYS A 29 4.229 -5.661 -8.843 1.00 24.98 N ATOM 0 H LYS A 29 -0.893 -2.100 -7.619 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.505 -4.671 -8.778 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.801 -3.822 -8.097 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.299 -3.852 -6.418 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.357 -6.237 -6.305 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.276 -6.423 -8.045 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.686 -5.202 -6.614 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.560 -6.909 -6.990 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.341 -6.385 -9.407 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.392 -4.669 -9.057 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.592 -4.686 -8.826 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.632 -6.195 -8.046 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.502 -6.116 -9.737 1.00 24.98 H new ATOM 471 N ILE A 30 -2.629 -4.291 -5.753 1.00 4.57 N ATOM 472 CA ILE A 30 -3.718 -4.717 -4.889 1.00 5.58 C ATOM 473 C ILE A 30 -4.951 -4.801 -5.642 1.00 7.26 C ATOM 474 O ILE A 30 -5.743 -5.739 -5.479 1.00 9.46 O ATOM 475 CB ILE A 30 -3.868 -3.821 -3.663 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.542 -3.959 -2.810 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.075 -4.267 -2.760 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.272 -2.759 -1.851 1.00 2.00 C ATOM 0 H ILE A 30 -2.187 -3.429 -5.434 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.475 -5.711 -4.513 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.048 -2.798 -3.994 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.595 -4.875 -2.222 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.696 -4.065 -3.489 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.148 -3.604 -1.898 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.999 -4.216 -3.336 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.916 -5.290 -2.419 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.345 -2.932 -1.304 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.184 -1.841 -2.432 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.098 -2.664 -1.146 1.00 2.00 H new ATOM 490 N GLN A 31 -5.263 -3.860 -6.514 1.00 7.06 N ATOM 491 CA GLN A 31 -6.470 -3.917 -7.388 1.00 8.67 C ATOM 492 C GLN A 31 -6.418 -5.116 -8.389 1.00 10.90 C ATOM 493 O GLN A 31 -7.356 -5.893 -8.375 1.00 9.63 O ATOM 494 CB GLN A 31 -6.682 -2.628 -8.158 1.00 9.12 C ATOM 495 CG GLN A 31 -7.784 -2.546 -9.232 1.00 10.76 C ATOM 496 CD GLN A 31 -8.013 -1.106 -9.687 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.117 -0.564 -9.559 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.979 -0.693 -10.462 1.00 14.76 N ATOM 0 H GLN A 31 -4.698 -3.022 -6.653 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.314 -4.062 -6.713 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.881 -1.843 -7.428 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.738 -2.380 -8.643 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.506 -3.160 -10.089 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.713 -2.956 -8.835 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.112 -1.230 -10.484 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.069 0.154 -11.023 1.00 14.76 H new ATOM 507 N ASP A 32 -5.289 -5.445 -9.056 1.00 10.93 N ATOM 508 CA ASP A 32 -5.158 -6.704 -9.820 1.00 14.01 C ATOM 509 C ASP A 32 -5.299 -7.994 -8.986 1.00 14.04 C ATOM 510 O ASP A 32 -6.080 -8.900 -9.338 1.00 13.39 O ATOM 511 CB ASP A 32 -3.713 -6.667 -10.329 1.00 18.01 C ATOM 512 CG ASP A 32 -3.453 -5.603 -11.394 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.405 -5.478 -12.222 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.321 -5.139 -11.495 1.00 25.17 O ATOM 0 H ASP A 32 -4.457 -4.856 -9.080 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.947 -6.745 -10.570 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.046 -6.491 -9.485 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.458 -7.645 -10.738 1.00 18.01 H new ATOM 519 N LYS A 33 -4.687 -8.018 -7.779 1.00 14.22 N ATOM 520 CA LYS A 33 -4.809 -9.160 -6.965 1.00 14.00 C ATOM 521 C LYS A 33 -6.176 -9.355 -6.297 1.00 12.37 C ATOM 522 O LYS A 33 -6.830 -10.400 -6.495 1.00 12.17 O ATOM 523 CB LYS A 33 -3.707 -9.093 -5.839 1.00 18.62 C ATOM 524 CG LYS A 33 -3.525 -10.399 -5.017 1.00 24.00 C ATOM 525 CD LYS A 33 -2.813 -10.185 -3.660 1.00 27.61 C ATOM 526 CE LYS A 33 -2.402 -11.498 -2.985 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.588 -12.335 -2.784 1.00 30.06 N ATOM 0 H LYS A 33 -4.126 -7.260 -7.390 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.685 -10.011 -7.634 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.753 -8.836 -6.300 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.958 -8.283 -5.154 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.504 -10.844 -4.838 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.953 -11.114 -5.609 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.927 -9.569 -3.814 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.474 -9.631 -2.993 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.673 -12.024 -3.601 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.922 -11.293 -2.028 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.386 -13.055 -2.062 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.382 -11.742 -2.469 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.839 -12.802 -3.679 1.00 30.06 H new ATOM 541 N GLU A 34 -6.695 -8.275 -5.650 1.00 10.11 N ATOM 542 CA GLU A 34 -7.827 -8.359 -4.775 1.00 10.07 C ATOM 543 C GLU A 34 -9.097 -7.638 -5.167 1.00 9.32 C ATOM 544 O GLU A 34 -10.166 -7.832 -4.550 1.00 11.61 O ATOM 545 CB GLU A 34 -7.415 -7.793 -3.394 1.00 14.77 C ATOM 546 CG GLU A 34 -6.233 -8.446 -2.630 1.00 18.75 C ATOM 547 CD GLU A 34 -6.659 -9.871 -2.320 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.867 -10.160 -1.973 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.832 -10.849 -2.501 1.00 21.95 O ATOM 0 H GLU A 34 -6.316 -7.333 -5.742 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.081 -9.419 -4.801 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.175 -6.738 -3.530 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.290 -7.840 -2.746 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.326 -8.434 -3.234 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.013 -7.898 -1.714 1.00 18.75 H new ATOM 556 N GLY A 35 -9.030 -6.856 -6.272 1.00 7.22 N ATOM 557 CA GLY A 35 -10.128 -6.146 -6.868 1.00 6.29 C ATOM 558 C GLY A 35 -10.517 -4.935 -6.086 1.00 6.93 C ATOM 559 O GLY A 35 -11.539 -4.337 -6.347 1.00 7.41 O ATOM 0 H GLY A 35 -8.155 -6.713 -6.777 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.857 -5.849 -7.881 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.986 -6.813 -6.950 1.00 6.29 H new ATOM 563 N ILE A 36 -9.787 -4.502 -5.114 1.00 5.86 N ATOM 564 CA ILE A 36 -10.102 -3.389 -4.218 1.00 6.07 C ATOM 565 C ILE A 36 -9.822 -2.085 -4.887 1.00 6.36 C ATOM 566 O ILE A 36 -8.712 -1.877 -5.348 1.00 6.18 O ATOM 567 CB ILE A 36 -9.392 -3.451 -2.887 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.677 -4.820 -2.152 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.912 -2.257 -2.089 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.735 -5.058 -0.999 1.00 9.49 C ATOM 0 H ILE A 36 -8.889 -4.931 -4.891 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.166 -3.477 -4.000 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.309 -3.403 -3.003 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.704 -4.827 -1.786 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.588 -5.639 -2.866 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.437 -2.240 -1.108 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.679 -1.335 -2.621 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.992 -2.343 -1.968 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.972 -6.011 -0.527 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.709 -5.080 -1.366 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.843 -4.255 -0.270 1.00 9.49 H new ATOM 582 N PRO A 37 -10.726 -1.115 -5.028 1.00 8.65 N ATOM 583 CA PRO A 37 -10.416 0.168 -5.604 1.00 9.18 C ATOM 584 C PRO A 37 -9.211 1.067 -5.102 1.00 9.85 C ATOM 585 O PRO A 37 -9.216 1.257 -3.873 1.00 8.51 O ATOM 586 CB PRO A 37 -11.746 0.954 -5.406 1.00 11.42 C ATOM 587 CG PRO A 37 -12.783 -0.154 -5.658 1.00 9.27 C ATOM 588 CD PRO A 37 -12.207 -1.301 -4.863 1.00 8.33 C ATOM 0 HA PRO A 37 -10.049 -0.047 -6.607 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.830 1.377 -4.405 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.846 1.780 -6.110 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.776 0.128 -5.308 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.875 -0.395 -6.717 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.505 -1.256 -3.816 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.538 -2.266 -5.248 1.00 8.33 H new ATOM 596 N PRO A 38 -8.211 1.609 -5.837 1.00 8.71 N ATOM 597 CA PRO A 38 -7.182 2.497 -5.276 1.00 9.08 C ATOM 598 C PRO A 38 -7.716 3.774 -4.591 1.00 9.28 C ATOM 599 O PRO A 38 -7.013 4.288 -3.659 1.00 6.50 O ATOM 600 CB PRO A 38 -6.383 2.919 -6.527 1.00 10.31 C ATOM 601 CG PRO A 38 -6.447 1.616 -7.305 1.00 10.81 C ATOM 602 CD PRO A 38 -7.817 0.981 -7.093 1.00 12.00 C ATOM 0 HA PRO A 38 -6.630 1.978 -4.493 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.845 3.750 -7.060 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.362 3.219 -6.292 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.278 1.802 -8.366 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.662 0.938 -6.971 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.509 1.208 -7.904 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.763 -0.105 -7.014 1.00 12.00 H new ATOM 610 N ASP A 39 -8.876 4.325 -4.993 1.00 11.20 N ATOM 611 CA ASP A 39 -9.396 5.516 -4.290 1.00 14.96 C ATOM 612 C ASP A 39 -9.721 5.254 -2.809 1.00 13.99 C ATOM 613 O ASP A 39 -9.317 6.051 -1.954 1.00 13.75 O ATOM 614 CB ASP A 39 -10.618 6.091 -5.126 1.00 24.16 C ATOM 615 CG ASP A 39 -10.121 6.556 -6.495 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.120 7.295 -6.500 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.799 6.251 -7.471 1.00 35.55 O ATOM 0 H ASP A 39 -9.450 3.986 -5.765 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.617 6.277 -4.241 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.384 5.325 -5.246 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.079 6.922 -4.592 1.00 24.16 H new ATOM 622 N GLN A 40 -10.421 4.084 -2.543 1.00 11.60 N ATOM 623 CA GLN A 40 -10.640 3.617 -1.193 1.00 10.76 C ATOM 624 C GLN A 40 -9.417 3.301 -0.340 1.00 8.01 C ATOM 625 O GLN A 40 -9.402 3.570 0.892 1.00 8.96 O ATOM 626 CB GLN A 40 -11.502 2.299 -1.254 1.00 11.14 C ATOM 627 CG GLN A 40 -13.010 2.363 -1.701 1.00 14.85 C ATOM 628 CD GLN A 40 -13.812 1.057 -1.449 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.292 0.366 -2.379 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.065 0.808 -0.155 1.00 18.16 N ATOM 0 H GLN A 40 -10.821 3.485 -3.265 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.120 4.466 -0.706 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.993 1.610 -1.928 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.477 1.850 -0.261 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.498 3.182 -1.173 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.051 2.600 -2.764 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.652 1.397 0.568 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.670 0.029 0.106 1.00 18.16 H new ATOM 639 N GLN A 41 -8.363 2.732 -0.992 1.00 6.52 N ATOM 640 CA GLN A 41 -7.137 2.359 -0.272 1.00 3.87 C ATOM 641 C GLN A 41 -6.320 3.475 0.441 1.00 4.79 C ATOM 642 O GLN A 41 -5.925 4.473 -0.143 1.00 6.34 O ATOM 643 CB GLN A 41 -6.267 1.767 -1.352 1.00 4.20 C ATOM 644 CG GLN A 41 -6.729 0.365 -1.809 1.00 3.20 C ATOM 645 CD GLN A 41 -5.836 -0.283 -2.812 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.581 -0.275 -2.658 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.351 -0.780 -3.932 1.00 7.13 N ATOM 0 H GLN A 41 -8.348 2.530 -1.992 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.434 1.717 0.558 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.260 2.438 -2.211 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.241 1.703 -0.989 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.803 -0.282 -0.935 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.731 0.446 -2.231 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.362 -0.792 -4.067 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.735 -1.150 -4.656 1.00 7.13 H new ATOM 656 N ARG A 42 -6.074 3.230 1.750 1.00 5.73 N ATOM 657 CA ARG A 42 -5.213 4.034 2.558 1.00 6.97 C ATOM 658 C ARG A 42 -4.180 3.101 3.133 1.00 7.15 C ATOM 659 O ARG A 42 -4.419 2.157 3.898 1.00 7.33 O ATOM 660 CB ARG A 42 -5.967 4.740 3.649 1.00 13.23 C ATOM 661 CG ARG A 42 -5.993 6.323 3.603 1.00 21.27 C ATOM 662 CD ARG A 42 -6.217 6.901 4.939 1.00 26.14 C ATOM 663 NE ARG A 42 -6.495 8.351 4.820 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.801 9.155 5.905 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.874 8.632 7.104 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.995 10.424 5.738 1.00 36.39 N ATOM 0 H ARG A 42 -6.490 2.447 2.255 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.751 4.820 1.960 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.997 4.385 3.632 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.541 4.437 4.605 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.049 6.691 3.200 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.780 6.655 2.926 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.054 6.400 5.426 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.340 6.740 5.566 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.459 8.778 3.894 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.706 7.635 7.237 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.099 9.222 7.905 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.923 10.833 4.806 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.220 11.015 6.538 1.00 36.39 H new ATOM 680 N LEU A 43 -2.926 3.378 2.800 1.00 4.65 N ATOM 681 CA LEU A 43 -1.909 2.582 3.231 1.00 3.51 C ATOM 682 C LEU A 43 -1.037 3.284 4.262 1.00 5.56 C ATOM 683 O LEU A 43 -0.631 4.448 4.142 1.00 4.19 O ATOM 684 CB LEU A 43 -0.985 2.309 1.973 1.00 3.74 C ATOM 685 CG LEU A 43 -1.618 1.369 1.009 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.713 1.291 -0.243 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.005 -0.006 1.562 1.00 6.41 C ATOM 0 H LEU A 43 -2.640 4.170 2.224 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.331 1.681 3.677 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.769 3.252 1.471 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.031 1.899 2.306 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.595 1.777 0.752 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.154 0.607 -0.968 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.621 2.282 -0.688 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.274 0.929 0.044 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.456 -0.603 0.770 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.114 -0.512 1.935 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.720 0.117 2.376 1.00 6.41 H new ATOM 699 N ILE A 44 -0.855 2.621 5.404 1.00 4.58 N ATOM 700 CA ILE A 44 -0.122 3.141 6.628 1.00 5.55 C ATOM 701 C ILE A 44 1.169 2.344 6.713 1.00 5.46 C ATOM 702 O ILE A 44 1.211 1.138 6.674 1.00 6.04 O ATOM 703 CB ILE A 44 -0.911 3.001 7.925 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.330 3.731 7.830 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.072 3.668 9.029 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.531 2.909 7.290 1.00 13.90 C ATOM 0 H ILE A 44 -1.213 1.675 5.538 1.00 4.58 H new ATOM 0 HA ILE A 44 0.046 4.212 6.516 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.099 1.947 8.132 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.590 4.089 8.826 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.213 4.610 7.196 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.598 3.593 9.981 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.892 3.166 9.107 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.084 4.718 8.783 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.425 3.533 7.283 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.315 2.572 6.276 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.698 2.044 7.932 1.00 13.90 H new ATOM 718 N PHE A 45 2.283 3.020 6.757 1.00 6.75 N ATOM 719 CA PHE A 45 3.608 2.423 6.899 1.00 4.70 C ATOM 720 C PHE A 45 4.342 3.223 7.868 1.00 6.34 C ATOM 721 O PHE A 45 4.410 4.470 7.805 1.00 5.45 O ATOM 722 CB PHE A 45 4.281 2.257 5.490 1.00 5.51 C ATOM 723 CG PHE A 45 5.753 1.853 5.582 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.240 0.568 6.052 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.774 2.795 5.327 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.566 0.214 6.117 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.105 2.514 5.448 1.00 6.64 C ATOM 728 CZ PHE A 45 8.533 1.209 5.766 1.00 6.84 C ATOM 0 H PHE A 45 2.309 4.038 6.694 1.00 6.75 H new ATOM 0 HA PHE A 45 3.578 1.406 7.291 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.737 1.505 4.919 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.200 3.195 4.940 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.509 -0.160 6.373 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.487 3.790 5.020 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.867 -0.777 6.421 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.834 3.297 5.299 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.584 0.962 5.745 1.00 6.84 H new ATOM 738 N ALA A 46 4.984 2.560 8.842 1.00 6.53 N ATOM 739 CA ALA A 46 5.885 3.078 9.839 1.00 7.15 C ATOM 740 C ALA A 46 5.358 4.358 10.584 1.00 9.00 C ATOM 741 O ALA A 46 6.108 5.351 10.696 1.00 11.15 O ATOM 742 CB ALA A 46 7.288 3.235 9.342 1.00 8.99 C ATOM 0 H ALA A 46 4.862 1.553 8.946 1.00 6.53 H new ATOM 0 HA ALA A 46 5.918 2.301 10.603 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.915 3.629 10.142 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.672 2.266 9.024 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.300 3.925 8.498 1.00 8.99 H new ATOM 748 N GLY A 47 4.128 4.398 11.050 1.00 9.35 N ATOM 749 CA GLY A 47 3.469 5.509 11.712 1.00 11.68 C ATOM 750 C GLY A 47 3.044 6.604 10.826 1.00 11.14 C ATOM 751 O GLY A 47 2.539 7.587 11.328 1.00 13.93 O ATOM 0 H GLY A 47 3.511 3.590 10.970 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.594 5.129 12.239 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.144 5.914 12.466 1.00 11.68 H new ATOM 755 N LYS A 48 3.205 6.437 9.461 1.00 10.47 N ATOM 756 CA LYS A 48 2.901 7.381 8.375 1.00 8.82 C ATOM 757 C LYS A 48 1.824 6.935 7.359 1.00 7.68 C ATOM 758 O LYS A 48 1.948 5.819 6.845 1.00 6.47 O ATOM 759 CB LYS A 48 4.245 7.666 7.641 1.00 9.74 C ATOM 760 CG LYS A 48 5.310 8.409 8.532 1.00 14.14 C ATOM 761 CD LYS A 48 6.689 8.522 7.837 1.00 16.32 C ATOM 762 CE LYS A 48 7.454 7.202 7.870 1.00 20.04 C ATOM 763 NZ LYS A 48 7.967 6.959 9.302 1.00 23.92 N ATOM 0 H LYS A 48 3.581 5.564 9.091 1.00 10.47 H new ATOM 0 HA LYS A 48 2.460 8.265 8.836 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.668 6.722 7.297 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.044 8.267 6.754 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.945 9.408 8.772 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.425 7.876 9.476 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.549 8.835 6.802 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.280 9.296 8.327 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.806 6.383 7.557 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.289 7.233 7.170 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.922 6.548 9.264 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.999 7.862 9.817 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.327 6.303 9.793 1.00 23.92 H new ATOM 777 N GLN A 49 0.768 7.718 7.180 1.00 8.89 N ATOM 778 CA GLN A 49 -0.077 7.565 5.965 1.00 7.18 C ATOM 779 C GLN A 49 0.747 7.865 4.686 1.00 8.23 C ATOM 780 O GLN A 49 1.566 8.800 4.695 1.00 9.70 O ATOM 781 CB GLN A 49 -1.361 8.417 6.115 1.00 11.67 C ATOM 782 CG GLN A 49 -2.189 7.845 7.323 1.00 15.82 C ATOM 783 CD GLN A 49 -3.249 8.836 7.662 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.337 9.996 7.269 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.133 8.447 8.597 1.00 20.67 N ATOM 0 H GLN A 49 0.469 8.447 7.827 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.407 6.532 5.857 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.106 9.462 6.290 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.950 8.381 5.199 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.634 6.885 7.060 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.541 7.671 8.182 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.106 7.494 8.959 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.831 9.105 8.944 1.00 20.67 H new ATOM 794 N LEU A 50 0.582 7.060 3.588 1.00 6.51 N ATOM 795 CA LEU A 50 1.473 7.202 2.444 1.00 7.41 C ATOM 796 C LEU A 50 0.864 7.877 1.236 1.00 8.27 C ATOM 797 O LEU A 50 -0.311 7.587 0.971 1.00 8.34 O ATOM 798 CB LEU A 50 1.963 5.804 1.912 1.00 7.13 C ATOM 799 CG LEU A 50 2.632 4.857 2.928 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.712 3.436 2.259 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.060 5.437 3.167 1.00 9.11 C ATOM 0 H LEU A 50 -0.136 6.342 3.494 1.00 6.51 H new ATOM 0 HA LEU A 50 2.277 7.818 2.846 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.105 5.287 1.483 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.668 5.980 1.100 1.00 7.13 H new ATOM 0 HG LEU A 50 2.093 4.773 3.871 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.181 2.735 2.949 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.707 3.090 2.018 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.304 3.497 1.346 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.593 4.810 3.882 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.607 5.457 2.224 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.980 6.450 3.562 1.00 9.11 H new ATOM 813 N GLU A 51 1.600 8.767 0.568 1.00 9.43 N ATOM 814 CA GLU A 51 1.117 9.551 -0.591 1.00 11.90 C ATOM 815 C GLU A 51 1.408 8.838 -1.922 1.00 11.49 C ATOM 816 O GLU A 51 2.503 8.335 -2.201 1.00 9.88 O ATOM 817 CB GLU A 51 1.723 10.971 -0.753 1.00 16.56 C ATOM 818 CG GLU A 51 1.618 11.798 0.579 1.00 26.06 C ATOM 819 CD GLU A 51 0.245 12.376 0.940 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.742 12.237 0.175 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.134 13.025 2.031 1.00 32.13 O ATOM 0 H GLU A 51 2.568 8.974 0.815 1.00 9.43 H new ATOM 0 HA GLU A 51 0.053 9.643 -0.371 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.768 10.890 -1.050 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.204 11.500 -1.553 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.941 11.158 1.400 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.327 12.624 0.520 1.00 26.06 H new ATOM 828 N ASP A 52 0.374 8.782 -2.795 1.00 12.71 N ATOM 829 CA ASP A 52 0.405 7.935 -4.023 1.00 16.56 C ATOM 830 C ASP A 52 1.561 8.227 -4.929 1.00 15.83 C ATOM 831 O ASP A 52 2.081 7.319 -5.580 1.00 17.21 O ATOM 832 CB ASP A 52 -0.836 8.184 -4.843 1.00 21.05 C ATOM 833 CG ASP A 52 -2.133 7.607 -4.331 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.183 7.050 -3.214 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.138 7.669 -5.083 1.00 28.37 O ATOM 0 H ASP A 52 -0.491 9.309 -2.677 1.00 12.71 H new ATOM 0 HA ASP A 52 0.484 6.909 -3.663 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.963 9.262 -4.943 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.663 7.789 -5.844 1.00 21.05 H new ATOM 840 N GLY A 53 1.968 9.506 -5.077 1.00 15.00 N ATOM 841 CA GLY A 53 2.975 9.997 -6.029 1.00 11.77 C ATOM 842 C GLY A 53 4.449 9.829 -5.638 1.00 11.10 C ATOM 843 O GLY A 53 5.345 10.219 -6.381 1.00 11.25 O ATOM 0 H GLY A 53 1.581 10.257 -4.506 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.817 9.488 -6.980 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.789 11.057 -6.200 1.00 11.77 H new ATOM 847 N ARG A 54 4.760 9.252 -4.514 1.00 8.53 N ATOM 848 CA ARG A 54 6.100 8.913 -4.092 1.00 9.05 C ATOM 849 C ARG A 54 6.344 7.506 -4.517 1.00 8.96 C ATOM 850 O ARG A 54 5.404 6.830 -4.940 1.00 11.60 O ATOM 851 CB ARG A 54 6.324 9.151 -2.565 1.00 7.97 C ATOM 852 CG ARG A 54 5.902 10.490 -1.978 1.00 9.62 C ATOM 853 CD ARG A 54 6.472 11.690 -2.728 1.00 12.20 C ATOM 854 NE ARG A 54 7.946 11.628 -2.815 1.00 18.23 N ATOM 855 CZ ARG A 54 8.695 12.451 -3.503 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.151 13.338 -4.336 1.00 25.50 N ATOM 857 NH2 ARG A 54 10.032 12.455 -3.506 1.00 23.38 N ATOM 0 H ARG A 54 4.053 8.989 -3.827 1.00 8.53 H new ATOM 0 HA ARG A 54 6.831 9.570 -4.564 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.793 8.368 -2.024 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.386 9.017 -2.359 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.814 10.553 -1.982 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.220 10.538 -0.937 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.049 11.727 -3.732 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.175 12.609 -2.223 1.00 12.20 H new ATOM 0 HE ARG A 54 8.416 10.885 -2.298 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.138 13.382 -4.444 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.748 13.973 -4.866 1.00 25.50 H new ATOM 0 HH21 ARG A 54 10.545 11.779 -2.941 1.00 23.38 H new ATOM 0 HH22 ARG A 54 10.539 13.134 -4.074 1.00 23.38 H new ATOM 871 N THR A 55 7.586 7.082 -4.373 1.00 9.05 N ATOM 872 CA THR A 55 8.110 5.794 -4.599 1.00 9.03 C ATOM 873 C THR A 55 8.308 4.997 -3.372 1.00 8.15 C ATOM 874 O THR A 55 8.472 5.533 -2.257 1.00 5.91 O ATOM 875 CB THR A 55 9.395 5.759 -5.475 1.00 11.15 C ATOM 876 OG1 THR A 55 10.421 6.666 -5.124 1.00 11.95 O ATOM 877 CG2 THR A 55 9.018 6.132 -6.842 1.00 11.71 C ATOM 0 H THR A 55 8.315 7.723 -4.059 1.00 9.05 H new ATOM 0 HA THR A 55 7.317 5.319 -5.177 1.00 9.03 H new ATOM 0 HB THR A 55 9.787 4.751 -5.342 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.252 6.173 -4.962 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.901 6.116 -7.480 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.282 5.423 -7.223 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.590 7.134 -6.841 1.00 11.71 H new ATOM 885 N LEU A 56 8.474 3.689 -3.478 1.00 6.91 N ATOM 886 CA LEU A 56 8.875 2.890 -2.344 1.00 8.29 C ATOM 887 C LEU A 56 10.217 3.190 -1.785 1.00 8.05 C ATOM 888 O LEU A 56 10.341 3.162 -0.574 1.00 10.17 O ATOM 889 CB LEU A 56 8.825 1.320 -2.699 1.00 6.60 C ATOM 890 CG LEU A 56 7.481 0.646 -2.574 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.526 0.857 -3.759 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.735 -0.943 -2.478 1.00 8.64 C ATOM 0 H LEU A 56 8.336 3.162 -4.341 1.00 6.91 H new ATOM 0 HA LEU A 56 8.149 3.158 -1.577 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.179 1.190 -3.722 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.529 0.800 -2.050 1.00 6.60 H new ATOM 0 HG LEU A 56 7.010 1.089 -1.697 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.590 0.332 -3.570 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.327 1.922 -3.881 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.983 0.467 -4.669 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.779 -1.459 -2.387 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.247 -1.285 -3.377 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.350 -1.161 -1.605 1.00 8.64 H new ATOM 904 N SER A 57 11.195 3.460 -2.673 1.00 8.92 N ATOM 905 CA SER A 57 12.552 3.991 -2.359 1.00 9.00 C ATOM 906 C SER A 57 12.512 5.283 -1.561 1.00 9.44 C ATOM 907 O SER A 57 13.139 5.426 -0.482 1.00 10.91 O ATOM 908 CB SER A 57 13.418 4.172 -3.629 1.00 10.32 C ATOM 909 OG SER A 57 12.728 4.881 -4.668 1.00 13.59 O ATOM 0 H SER A 57 11.063 3.310 -3.673 1.00 8.92 H new ATOM 0 HA SER A 57 13.020 3.233 -1.731 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.329 4.711 -3.370 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.721 3.193 -4.001 1.00 10.32 H new ATOM 0 HG SER A 57 12.089 4.280 -5.105 1.00 13.59 H new ATOM 915 N ASP A 58 11.735 6.264 -1.944 1.00 9.11 N ATOM 916 CA ASP A 58 11.662 7.505 -1.296 1.00 7.91 C ATOM 917 C ASP A 58 11.039 7.470 0.158 1.00 9.12 C ATOM 918 O ASP A 58 11.527 8.067 1.129 1.00 8.61 O ATOM 919 CB ASP A 58 10.839 8.467 -2.246 1.00 8.41 C ATOM 920 CG ASP A 58 10.596 9.881 -1.803 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.502 10.696 -2.052 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.586 10.233 -1.158 1.00 11.70 O ATOM 0 H ASP A 58 11.118 6.195 -2.753 1.00 9.11 H new ATOM 0 HA ASP A 58 12.679 7.859 -1.127 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.355 8.505 -3.205 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.868 8.005 -2.424 1.00 8.41 H new ATOM 927 N TYR A 59 9.992 6.686 0.371 1.00 7.97 N ATOM 928 CA TYR A 59 9.427 6.333 1.665 1.00 8.45 C ATOM 929 C TYR A 59 10.232 5.291 2.491 1.00 10.98 C ATOM 930 O TYR A 59 9.940 4.978 3.641 1.00 12.95 O ATOM 931 CB TYR A 59 8.021 5.792 1.452 1.00 7.94 C ATOM 932 CG TYR A 59 6.994 6.910 1.518 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.739 7.577 2.785 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.227 7.196 0.374 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.749 8.526 2.853 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.176 8.212 0.509 1.00 6.52 C ATOM 937 CZ TYR A 59 5.012 8.888 1.731 1.00 6.76 C ATOM 938 OH TYR A 59 4.000 9.885 1.793 1.00 7.63 O ATOM 0 H TYR A 59 9.484 6.254 -0.401 1.00 7.97 H new ATOM 0 HA TYR A 59 9.448 7.253 2.249 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.961 5.295 0.484 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.797 5.042 2.210 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.321 7.329 3.661 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.404 6.690 -0.563 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.538 9.002 3.799 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.531 8.439 -0.327 1.00 6.52 H new ATOM 0 HH TYR A 59 4.138 10.537 1.074 1.00 7.63 H new ATOM 948 N ASN A 60 11.242 4.647 1.848 1.00 12.38 N ATOM 949 CA ASN A 60 12.163 3.617 2.422 1.00 13.94 C ATOM 950 C ASN A 60 11.421 2.305 2.684 1.00 14.16 C ATOM 951 O ASN A 60 11.751 1.684 3.711 1.00 14.26 O ATOM 952 CB ASN A 60 12.937 4.164 3.705 1.00 19.23 C ATOM 953 CG ASN A 60 13.794 5.352 3.296 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.524 6.523 3.556 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.903 5.014 2.560 1.00 24.09 N ATOM 0 H ASN A 60 11.450 4.838 0.868 1.00 12.38 H new ATOM 0 HA ASN A 60 12.933 3.400 1.681 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.226 4.460 4.476 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.561 3.379 4.132 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.527 5.743 2.214 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.103 4.034 2.359 1.00 24.09 H new ATOM 962 N ILE A 61 10.498 1.853 1.829 1.00 11.08 N ATOM 963 CA ILE A 61 9.882 0.576 1.906 1.00 11.78 C ATOM 964 C ILE A 61 10.739 -0.379 1.183 1.00 13.74 C ATOM 965 O ILE A 61 11.288 -0.036 0.191 1.00 14.60 O ATOM 966 CB ILE A 61 8.518 0.660 1.194 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.573 1.670 1.965 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.784 -0.681 1.176 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.573 2.310 1.020 1.00 11.42 C ATOM 0 H ILE A 61 10.164 2.409 1.042 1.00 11.08 H new ATOM 0 HA ILE A 61 9.748 0.262 2.941 1.00 11.78 H new ATOM 0 HB ILE A 61 8.727 0.980 0.173 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.043 1.144 2.759 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.174 2.444 2.442 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.829 -0.566 0.663 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.390 -1.421 0.653 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.608 -1.013 2.199 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.937 2.999 1.576 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.106 2.856 0.242 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.957 1.535 0.563 1.00 11.42 H new ATOM 981 N GLN A 62 10.920 -1.572 1.790 1.00 13.97 N ATOM 982 CA GLN A 62 12.022 -2.478 1.657 1.00 15.52 C ATOM 983 C GLN A 62 11.651 -3.941 1.660 1.00 13.94 C ATOM 984 O GLN A 62 10.486 -4.250 1.975 1.00 12.15 O ATOM 985 CB GLN A 62 12.993 -2.231 2.806 1.00 19.53 C ATOM 986 CG GLN A 62 13.806 -0.950 2.622 1.00 26.38 C ATOM 987 CD GLN A 62 14.760 -0.617 3.786 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.389 -0.516 4.970 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.060 -0.472 3.374 1.00 32.71 N ATOM 0 H GLN A 62 10.221 -1.934 2.439 1.00 13.97 H new ATOM 0 HA GLN A 62 12.458 -2.276 0.679 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.436 -2.173 3.741 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.672 -3.079 2.892 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.390 -1.035 1.705 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.118 -0.116 2.485 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.296 -0.568 2.386 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.791 -0.269 4.055 1.00 32.71 H new ATOM 998 N LYS A 63 12.576 -4.843 1.278 1.00 11.73 N ATOM 999 CA LYS A 63 12.328 -6.262 1.105 1.00 11.97 C ATOM 1000 C LYS A 63 11.777 -6.948 2.406 1.00 10.41 C ATOM 1001 O LYS A 63 12.441 -6.945 3.481 1.00 9.59 O ATOM 1002 CB LYS A 63 13.665 -6.975 0.777 1.00 13.73 C ATOM 1003 CG LYS A 63 13.506 -8.550 0.496 1.00 16.98 C ATOM 1004 CD LYS A 63 14.838 -9.189 0.080 1.00 20.19 C ATOM 1005 CE LYS A 63 14.751 -10.453 -0.809 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.121 -11.076 -0.859 1.00 25.97 N ATOM 0 H LYS A 63 13.542 -4.582 1.079 1.00 11.73 H new ATOM 0 HA LYS A 63 11.589 -6.350 0.308 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.114 -6.503 -0.097 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.356 -6.831 1.607 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.130 -9.043 1.392 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.766 -8.707 -0.289 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.425 -8.439 -0.450 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.390 -9.445 0.984 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.026 -11.157 -0.402 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.413 -10.192 -1.812 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.092 -11.930 -1.451 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.797 -10.397 -1.263 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.421 -11.332 0.103 1.00 25.97 H new ATOM 1020 N GLU A 64 10.520 -7.413 2.286 1.00 10.04 N ATOM 1021 CA GLU A 64 9.792 -7.967 3.394 1.00 10.94 C ATOM 1022 C GLU A 64 9.327 -6.963 4.421 1.00 9.74 C ATOM 1023 O GLU A 64 9.364 -7.245 5.634 1.00 9.42 O ATOM 1024 CB GLU A 64 10.441 -9.252 3.865 1.00 18.31 C ATOM 1025 CG GLU A 64 10.232 -10.473 2.891 1.00 24.16 C ATOM 1026 CD GLU A 64 10.961 -11.663 3.395 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.713 -12.100 4.537 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.860 -12.167 2.685 1.00 31.72 O ATOM 0 H GLU A 64 9.999 -7.406 1.409 1.00 10.04 H new ATOM 0 HA GLU A 64 8.808 -8.284 3.049 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.510 -9.081 3.992 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.041 -9.510 4.845 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.169 -10.699 2.803 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.587 -10.216 1.893 1.00 24.16 H new ATOM 1035 N SER A 65 8.838 -5.772 3.917 1.00 6.85 N ATOM 1036 CA SER A 65 8.251 -4.720 4.749 1.00 6.90 C ATOM 1037 C SER A 65 6.793 -4.861 5.027 1.00 4.72 C ATOM 1038 O SER A 65 6.077 -5.620 4.380 1.00 3.91 O ATOM 1039 CB SER A 65 8.428 -3.270 4.170 1.00 7.28 C ATOM 1040 OG SER A 65 9.775 -2.759 4.243 1.00 10.56 O ATOM 0 H SER A 65 8.853 -5.543 2.923 1.00 6.85 H new ATOM 0 HA SER A 65 8.820 -4.854 5.669 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.107 -3.266 3.128 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.766 -2.593 4.710 1.00 7.28 H new ATOM 0 HG SER A 65 9.750 -1.783 4.333 1.00 10.56 H new ATOM 1046 N THR A 66 6.266 -4.279 6.074 1.00 4.48 N ATOM 1047 CA THR A 66 4.927 -4.454 6.472 1.00 3.80 C ATOM 1048 C THR A 66 4.198 -3.083 6.476 1.00 4.60 C ATOM 1049 O THR A 66 4.648 -2.150 7.129 1.00 5.33 O ATOM 1050 CB THR A 66 4.716 -5.179 7.844 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.074 -6.542 7.849 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.246 -5.055 8.376 1.00 3.40 C ATOM 0 H THR A 66 6.792 -3.651 6.682 1.00 4.48 H new ATOM 0 HA THR A 66 4.497 -5.129 5.733 1.00 3.80 H new ATOM 0 HB THR A 66 5.399 -4.650 8.508 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.914 -6.919 8.739 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.159 -5.576 9.329 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.996 -4.003 8.513 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.560 -5.500 7.655 1.00 3.40 H new ATOM 1060 N LEU A 67 3.126 -3.032 5.709 1.00 4.17 N ATOM 1061 CA LEU A 67 2.284 -1.858 5.604 1.00 3.85 C ATOM 1062 C LEU A 67 0.925 -2.238 6.058 1.00 3.80 C ATOM 1063 O LEU A 67 0.629 -3.416 6.329 1.00 5.54 O ATOM 1064 CB LEU A 67 2.221 -1.361 4.169 1.00 7.18 C ATOM 1065 CG LEU A 67 3.538 -1.286 3.391 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.911 -2.608 2.677 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.478 -0.074 2.379 1.00 11.66 C ATOM 0 H LEU A 67 2.812 -3.815 5.135 1.00 4.17 H new ATOM 0 HA LEU A 67 2.693 -1.055 6.217 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.540 -2.010 3.617 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.777 -0.366 4.176 1.00 7.18 H new ATOM 0 HG LEU A 67 4.337 -1.121 4.113 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.855 -2.481 2.146 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.014 -3.404 3.415 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.128 -2.871 1.966 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.414 -0.017 1.823 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.651 -0.221 1.684 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.327 0.854 2.931 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.010 -1.299 6.299 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.292 -1.637 6.868 1.00 4.17 C ATOM 1081 C HIS A 68 -2.371 -0.958 6.123 1.00 5.32 C ATOM 1082 O HIS A 68 -2.181 0.106 5.609 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.382 -1.256 8.313 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.141 -1.489 9.156 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.007 -0.729 9.152 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.136 -2.493 10.056 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.883 -1.309 10.023 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.416 -2.365 10.597 1.00 16.30 N ATOM 0 H HIS A 68 0.116 -0.306 6.102 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.403 -2.719 6.792 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.640 -0.198 8.371 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.207 -1.810 8.761 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.172 0.113 8.600 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.554 -3.284 10.312 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.873 -0.921 10.213 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.540 -1.600 5.891 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.553 -1.166 5.002 1.00 3.97 C ATOM 1098 C LEU A 69 -5.782 -0.764 5.729 1.00 5.07 C ATOM 1099 O LEU A 69 -6.379 -1.449 6.562 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.993 -2.341 4.037 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.063 -1.996 2.980 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.490 -1.169 1.825 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.620 -3.284 2.371 1.00 9.96 C ATOM 0 H LEU A 69 -3.778 -2.474 6.360 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.130 -0.325 4.452 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.107 -2.708 3.519 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.368 -3.162 4.648 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.834 -1.420 3.492 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.280 -0.951 1.107 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.084 -0.235 2.213 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.697 -1.732 1.332 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.375 -3.037 1.625 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.812 -3.842 1.898 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.070 -3.892 3.155 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.244 0.456 5.446 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.576 0.919 5.801 1.00 6.26 C ATOM 1117 C VAL A 70 -8.255 1.184 4.449 1.00 9.22 C ATOM 1118 O VAL A 70 -7.681 1.768 3.501 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.536 2.023 6.809 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.967 2.491 7.106 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.991 1.651 8.257 1.00 8.54 C ATOM 0 H VAL A 70 -5.689 1.157 4.955 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.184 0.199 6.348 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.867 2.747 6.343 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.941 3.296 7.841 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.430 2.852 6.188 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.548 1.658 7.501 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.013 2.536 8.893 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.619 0.875 8.694 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.967 1.287 8.178 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.540 0.792 4.382 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.379 1.161 3.226 1.00 16.06 C ATOM 1133 C LEU A 71 -11.431 2.209 3.609 1.00 18.09 C ATOM 1134 O LEU A 71 -12.384 1.920 4.282 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.095 -0.119 2.698 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.182 -1.254 2.221 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.003 -2.361 1.556 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.032 -0.747 1.347 1.00 19.57 C ATOM 0 H LEU A 71 -10.011 0.234 5.094 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.739 1.591 2.455 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.737 -0.505 3.490 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.746 0.168 1.872 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.702 -1.693 3.096 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.338 -3.158 1.224 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.720 -2.762 2.272 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.537 -1.953 0.698 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.414 -1.589 1.035 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.437 -0.248 0.467 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.425 -0.043 1.917 1.00 19.57 H new