USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 986 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 92 GLN : amide:sc= 0 X(o=0.14,f=0.041) USER MOD Set 1.2: A 105 SER OG : rot -80:sc= 0.139 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.0592 K(o=0.059,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 77:sc= 0.996 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.066 K(o=-0.066,f=-0.6) USER MOD Single : A 18 MET CE :methyl -106:sc= -0.537 (180deg=-3.16!) USER MOD Single : A 19 ASN : amide:sc= -0.0725 X(o=-0.072,f=-0.063) USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.6) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.647 X(o=0.65,f=0.23) USER MOD Single : A 37 SER OG : rot -135:sc= 1.14 USER MOD Single : A 42 GLN : amide:sc= -0.0463 K(o=-0.046,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= 1.08 (180deg=-0.0119) USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.492) USER MOD Single : A 71 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.4) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 13:sc= 0.358 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 169:sc=-0.00709 (180deg=-0.116) USER MOD Single : A 85 MET CE :methyl 151:sc= -1.7 (180deg=-3.68!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -0.0736 K(o=-0.074,f=-1.2) USER MOD Single : A 90 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.6!) USER MOD Single : A 93 THR OG1 : rot 70:sc= 0.535 USER MOD Single : A 95 ASN : amide:sc= -4.16! C(o=-4.2!,f=-10!) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0839 USER MOD Single : A 100 GLN : amide:sc= -1.33! C(o=-1.3!,f=-3.5!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0198 K(o=-0.02,f=-0.62) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0465) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 63:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.902 11.866 -13.539 1.00 0.00 N ATOM 2 CA GLY A 1 15.235 11.793 -12.129 1.00 0.00 C ATOM 3 C GLY A 1 14.494 12.828 -11.304 1.00 0.00 C ATOM 4 O GLY A 1 15.077 13.823 -10.874 1.00 0.00 O ATOM 0 H1 GLY A 1 15.434 11.139 -14.059 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.882 11.705 -13.664 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.151 12.807 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.999 10.797 -11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.309 11.934 -12.005 1.00 0.00 H new ATOM 8 N SER A 2 13.204 12.593 -11.084 1.00 0.00 N ATOM 9 CA SER A 2 12.381 13.515 -10.310 1.00 0.00 C ATOM 10 C SER A 2 12.629 13.341 -8.815 1.00 0.00 C ATOM 11 O SER A 2 12.006 12.502 -8.165 1.00 0.00 O ATOM 12 CB SER A 2 10.900 13.294 -10.622 1.00 0.00 C ATOM 13 OG SER A 2 10.656 13.363 -12.016 1.00 0.00 O ATOM 0 H SER A 2 12.707 11.773 -11.431 1.00 0.00 H new ATOM 0 HA SER A 2 12.656 14.532 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.587 12.321 -10.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.301 14.045 -10.107 1.00 0.00 H new ATOM 0 HG SER A 2 9.703 13.217 -12.189 1.00 0.00 H new ATOM 19 N SER A 3 13.545 14.141 -8.277 1.00 0.00 N ATOM 20 CA SER A 3 13.879 14.074 -6.859 1.00 0.00 C ATOM 21 C SER A 3 13.248 15.234 -6.096 1.00 0.00 C ATOM 22 O SER A 3 13.889 16.257 -5.859 1.00 0.00 O ATOM 23 CB SER A 3 15.398 14.090 -6.670 1.00 0.00 C ATOM 24 OG SER A 3 15.758 13.598 -5.391 1.00 0.00 O ATOM 0 H SER A 3 14.068 14.842 -8.801 1.00 0.00 H new ATOM 0 HA SER A 3 13.480 13.141 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.870 13.483 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.772 15.107 -6.790 1.00 0.00 H new ATOM 0 HG SER A 3 16.733 13.617 -5.296 1.00 0.00 H new ATOM 30 N GLY A 4 11.985 15.067 -5.715 1.00 0.00 N ATOM 31 CA GLY A 4 11.287 16.108 -4.983 1.00 0.00 C ATOM 32 C GLY A 4 11.177 15.802 -3.503 1.00 0.00 C ATOM 33 O GLY A 4 11.010 14.647 -3.112 1.00 0.00 O ATOM 0 H GLY A 4 11.433 14.230 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.810 17.055 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.288 16.234 -5.400 1.00 0.00 H new ATOM 37 N SER A 5 11.272 16.839 -2.677 1.00 0.00 N ATOM 38 CA SER A 5 11.187 16.674 -1.230 1.00 0.00 C ATOM 39 C SER A 5 9.767 16.933 -0.737 1.00 0.00 C ATOM 40 O SER A 5 9.074 17.816 -1.241 1.00 0.00 O ATOM 41 CB SER A 5 12.164 17.621 -0.530 1.00 0.00 C ATOM 42 OG SER A 5 13.446 17.031 -0.407 1.00 0.00 O ATOM 0 H SER A 5 11.408 17.802 -2.985 1.00 0.00 H new ATOM 0 HA SER A 5 11.454 15.645 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.241 18.551 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.782 17.878 0.458 1.00 0.00 H new ATOM 0 HG SER A 5 14.052 17.657 0.042 1.00 0.00 H new ATOM 48 N SER A 6 9.341 16.157 0.254 1.00 0.00 N ATOM 49 CA SER A 6 8.002 16.298 0.815 1.00 0.00 C ATOM 50 C SER A 6 8.026 16.115 2.330 1.00 0.00 C ATOM 51 O SER A 6 8.706 15.232 2.849 1.00 0.00 O ATOM 52 CB SER A 6 7.051 15.281 0.182 1.00 0.00 C ATOM 53 OG SER A 6 7.404 13.958 0.545 1.00 0.00 O ATOM 0 H SER A 6 9.904 15.424 0.685 1.00 0.00 H new ATOM 0 HA SER A 6 7.646 17.304 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.029 15.488 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.075 15.382 -0.903 1.00 0.00 H new ATOM 0 HG SER A 6 6.780 13.327 0.129 1.00 0.00 H new ATOM 59 N GLY A 7 7.276 16.959 3.033 1.00 0.00 N ATOM 60 CA GLY A 7 7.225 16.875 4.481 1.00 0.00 C ATOM 61 C GLY A 7 5.805 16.896 5.012 1.00 0.00 C ATOM 62 O GLY A 7 5.495 17.638 5.944 1.00 0.00 O ATOM 0 H GLY A 7 6.704 17.699 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.718 15.959 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.783 17.707 4.910 1.00 0.00 H new ATOM 66 N SER A 8 4.940 16.081 4.418 1.00 0.00 N ATOM 67 CA SER A 8 3.544 16.013 4.834 1.00 0.00 C ATOM 68 C SER A 8 3.088 14.564 4.970 1.00 0.00 C ATOM 69 O SER A 8 3.271 13.741 4.073 1.00 0.00 O ATOM 70 CB SER A 8 2.654 16.747 3.829 1.00 0.00 C ATOM 71 OG SER A 8 3.030 18.108 3.714 1.00 0.00 O ATOM 0 H SER A 8 5.181 15.458 3.647 1.00 0.00 H new ATOM 0 HA SER A 8 3.457 16.496 5.807 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.725 16.263 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.613 16.679 4.144 1.00 0.00 H new ATOM 0 HG SER A 8 2.447 18.555 3.065 1.00 0.00 H new ATOM 77 N PRO A 9 2.479 14.242 6.122 1.00 0.00 N ATOM 78 CA PRO A 9 1.984 12.892 6.405 1.00 0.00 C ATOM 79 C PRO A 9 0.775 12.527 5.550 1.00 0.00 C ATOM 80 O PRO A 9 -0.221 13.249 5.526 1.00 0.00 O ATOM 81 CB PRO A 9 1.592 12.960 7.883 1.00 0.00 C ATOM 82 CG PRO A 9 1.299 14.399 8.131 1.00 0.00 C ATOM 83 CD PRO A 9 2.228 15.172 7.236 1.00 0.00 C ATOM 0 HA PRO A 9 2.730 12.130 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.722 12.337 8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.399 12.604 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.258 14.630 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.462 14.656 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.773 16.100 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.150 15.441 7.751 1.00 0.00 H new ATOM 91 N ASN A 10 0.869 11.401 4.850 1.00 0.00 N ATOM 92 CA ASN A 10 -0.218 10.941 3.993 1.00 0.00 C ATOM 93 C ASN A 10 -1.574 11.275 4.608 1.00 0.00 C ATOM 94 O ASN A 10 -1.748 11.272 5.827 1.00 0.00 O ATOM 95 CB ASN A 10 -0.108 9.433 3.760 1.00 0.00 C ATOM 96 CG ASN A 10 1.304 9.003 3.415 1.00 0.00 C ATOM 97 OD1 ASN A 10 2.173 9.835 3.156 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.540 7.696 3.410 1.00 0.00 N ATOM 0 H ASN A 10 1.686 10.791 4.859 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.136 11.456 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.437 8.905 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.781 9.143 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.472 7.347 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.790 7.041 3.631 1.00 0.00 H new ATOM 105 N PRO A 11 -2.559 11.568 3.746 1.00 0.00 N ATOM 106 CA PRO A 11 -3.917 11.908 4.182 1.00 0.00 C ATOM 107 C PRO A 11 -4.655 10.709 4.768 1.00 0.00 C ATOM 108 O PRO A 11 -4.239 9.560 4.618 1.00 0.00 O ATOM 109 CB PRO A 11 -4.596 12.375 2.892 1.00 0.00 C ATOM 110 CG PRO A 11 -3.844 11.696 1.800 1.00 0.00 C ATOM 111 CD PRO A 11 -2.423 11.590 2.280 1.00 0.00 C ATOM 0 HA PRO A 11 -3.916 12.656 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.650 12.099 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.549 13.459 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.261 10.710 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.901 12.267 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.939 10.687 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.822 12.435 1.945 1.00 0.00 H new ATOM 119 N PRO A 12 -5.776 10.980 5.453 1.00 0.00 N ATOM 120 CA PRO A 12 -6.595 9.936 6.075 1.00 0.00 C ATOM 121 C PRO A 12 -7.316 9.074 5.044 1.00 0.00 C ATOM 122 O PRO A 12 -7.321 7.847 5.140 1.00 0.00 O ATOM 123 CB PRO A 12 -7.605 10.728 6.910 1.00 0.00 C ATOM 124 CG PRO A 12 -7.696 12.054 6.236 1.00 0.00 C ATOM 125 CD PRO A 12 -6.330 12.327 5.672 1.00 0.00 C ATOM 0 HA PRO A 12 -5.993 9.239 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.574 10.230 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.271 10.831 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.448 12.040 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.989 12.831 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.385 12.895 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.718 12.906 6.364 1.00 0.00 H new ATOM 133 N LYS A 13 -7.925 9.724 4.058 1.00 0.00 N ATOM 134 CA LYS A 13 -8.648 9.018 3.008 1.00 0.00 C ATOM 135 C LYS A 13 -7.740 8.018 2.299 1.00 0.00 C ATOM 136 O LYS A 13 -8.213 7.067 1.676 1.00 0.00 O ATOM 137 CB LYS A 13 -9.217 10.013 1.994 1.00 0.00 C ATOM 138 CG LYS A 13 -8.169 10.603 1.066 1.00 0.00 C ATOM 139 CD LYS A 13 -8.578 11.978 0.565 1.00 0.00 C ATOM 140 CE LYS A 13 -8.585 13.001 1.690 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.602 14.397 1.170 1.00 0.00 N ATOM 0 H LYS A 13 -7.932 10.740 3.965 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.469 8.471 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.979 9.514 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.712 10.822 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.216 10.675 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.016 9.936 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.891 12.301 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.570 11.923 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.457 12.839 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.705 12.858 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.606 15.064 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.757 14.560 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.455 14.542 0.593 1.00 0.00 H new ATOM 155 N LEU A 14 -6.434 8.238 2.400 1.00 0.00 N ATOM 156 CA LEU A 14 -5.458 7.355 1.770 1.00 0.00 C ATOM 157 C LEU A 14 -4.993 6.275 2.742 1.00 0.00 C ATOM 158 O LEU A 14 -5.081 5.082 2.452 1.00 0.00 O ATOM 159 CB LEU A 14 -4.257 8.161 1.273 1.00 0.00 C ATOM 160 CG LEU A 14 -3.140 7.358 0.605 1.00 0.00 C ATOM 161 CD1 LEU A 14 -3.705 6.467 -0.491 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.078 8.291 0.041 1.00 0.00 C ATOM 0 H LEU A 14 -6.026 9.020 2.912 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.939 6.870 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.614 8.908 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.833 8.702 2.119 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.675 6.722 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.896 5.903 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.429 5.775 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.196 7.083 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.291 7.703 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.530 8.952 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.652 8.887 0.848 1.00 0.00 H new ATOM 174 N THR A 15 -4.499 6.702 3.901 1.00 0.00 N ATOM 175 CA THR A 15 -4.021 5.773 4.917 1.00 0.00 C ATOM 176 C THR A 15 -5.072 4.714 5.231 1.00 0.00 C ATOM 177 O THR A 15 -4.780 3.518 5.237 1.00 0.00 O ATOM 178 CB THR A 15 -3.645 6.508 6.217 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.737 7.578 5.930 1.00 0.00 O ATOM 180 CG2 THR A 15 -3.009 5.551 7.215 1.00 0.00 C ATOM 0 H THR A 15 -4.420 7.686 4.159 1.00 0.00 H new ATOM 0 HA THR A 15 -3.132 5.290 4.511 1.00 0.00 H new ATOM 0 HB THR A 15 -4.557 6.913 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.230 8.330 5.540 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.752 6.093 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.713 4.754 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.106 5.120 6.782 1.00 0.00 H new ATOM 188 N LYS A 16 -6.296 5.160 5.491 1.00 0.00 N ATOM 189 CA LYS A 16 -7.392 4.251 5.804 1.00 0.00 C ATOM 190 C LYS A 16 -7.485 3.134 4.769 1.00 0.00 C ATOM 191 O LYS A 16 -7.348 1.957 5.101 1.00 0.00 O ATOM 192 CB LYS A 16 -8.716 5.016 5.864 1.00 0.00 C ATOM 193 CG LYS A 16 -9.027 5.586 7.237 1.00 0.00 C ATOM 194 CD LYS A 16 -10.477 6.030 7.341 1.00 0.00 C ATOM 195 CE LYS A 16 -10.653 7.120 8.386 1.00 0.00 C ATOM 196 NZ LYS A 16 -12.033 7.679 8.379 1.00 0.00 N ATOM 0 H LYS A 16 -6.554 6.147 5.491 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.193 3.805 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.689 5.830 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.525 4.350 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.820 4.835 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.371 6.433 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.817 6.395 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.103 5.175 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.430 6.716 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.936 7.920 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.112 8.419 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.237 8.088 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.716 6.921 8.582 1.00 0.00 H new ATOM 210 N GLN A 17 -7.716 3.512 3.516 1.00 0.00 N ATOM 211 CA GLN A 17 -7.826 2.541 2.434 1.00 0.00 C ATOM 212 C GLN A 17 -6.783 1.438 2.584 1.00 0.00 C ATOM 213 O GLN A 17 -7.097 0.254 2.462 1.00 0.00 O ATOM 214 CB GLN A 17 -7.660 3.234 1.080 1.00 0.00 C ATOM 215 CG GLN A 17 -7.416 2.271 -0.070 1.00 0.00 C ATOM 216 CD GLN A 17 -7.765 2.871 -1.418 1.00 0.00 C ATOM 217 OE1 GLN A 17 -7.888 4.088 -1.555 1.00 0.00 O ATOM 218 NE2 GLN A 17 -7.927 2.017 -2.422 1.00 0.00 N ATOM 0 H GLN A 17 -7.831 4.483 3.225 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.817 2.089 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.555 3.820 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.827 3.935 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.368 1.970 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.007 1.368 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.815 1.016 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.163 2.362 -3.352 1.00 0.00 H new ATOM 227 N MET A 18 -5.543 1.834 2.850 1.00 0.00 N ATOM 228 CA MET A 18 -4.455 0.878 3.018 1.00 0.00 C ATOM 229 C MET A 18 -4.731 -0.060 4.189 1.00 0.00 C ATOM 230 O MET A 18 -4.613 -1.278 4.061 1.00 0.00 O ATOM 231 CB MET A 18 -3.132 1.613 3.240 1.00 0.00 C ATOM 232 CG MET A 18 -2.538 2.194 1.967 1.00 0.00 C ATOM 233 SD MET A 18 -0.740 2.317 2.032 1.00 0.00 S ATOM 234 CE MET A 18 -0.512 4.076 1.787 1.00 0.00 C ATOM 0 H MET A 18 -5.266 2.810 2.954 1.00 0.00 H new ATOM 0 HA MET A 18 -4.384 0.283 2.108 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.289 2.418 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.414 0.925 3.685 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.825 1.571 1.120 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.960 3.184 1.793 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.140 4.258 0.779 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.465 4.588 1.920 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.208 4.454 2.513 1.00 0.00 H new ATOM 244 N ASN A 19 -5.099 0.516 5.329 1.00 0.00 N ATOM 245 CA ASN A 19 -5.391 -0.270 6.522 1.00 0.00 C ATOM 246 C ASN A 19 -6.584 -1.192 6.288 1.00 0.00 C ATOM 247 O ASN A 19 -6.469 -2.412 6.399 1.00 0.00 O ATOM 248 CB ASN A 19 -5.672 0.653 7.710 1.00 0.00 C ATOM 249 CG ASN A 19 -4.404 1.070 8.430 1.00 0.00 C ATOM 250 OD1 ASN A 19 -3.649 0.229 8.918 1.00 0.00 O ATOM 251 ND2 ASN A 19 -4.165 2.375 8.500 1.00 0.00 N ATOM 0 H ASN A 19 -5.202 1.523 5.452 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.518 -0.884 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.197 1.542 7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.335 0.147 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.328 2.716 8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.819 3.036 8.081 1.00 0.00 H new ATOM 258 N ALA A 20 -7.728 -0.600 5.963 1.00 0.00 N ATOM 259 CA ALA A 20 -8.941 -1.368 5.710 1.00 0.00 C ATOM 260 C ALA A 20 -8.618 -2.704 5.050 1.00 0.00 C ATOM 261 O ALA A 20 -9.020 -3.761 5.536 1.00 0.00 O ATOM 262 CB ALA A 20 -9.901 -0.567 4.843 1.00 0.00 C ATOM 0 H ALA A 20 -7.841 0.409 5.869 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.418 -1.573 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.802 -1.152 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.166 0.359 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.423 -0.333 3.892 1.00 0.00 H new ATOM 268 N ILE A 21 -7.889 -2.649 3.940 1.00 0.00 N ATOM 269 CA ILE A 21 -7.512 -3.855 3.214 1.00 0.00 C ATOM 270 C ILE A 21 -6.756 -4.825 4.116 1.00 0.00 C ATOM 271 O ILE A 21 -7.227 -5.930 4.388 1.00 0.00 O ATOM 272 CB ILE A 21 -6.639 -3.525 1.989 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.421 -2.663 0.996 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.156 -4.804 1.322 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.542 -1.774 0.144 1.00 0.00 C ATOM 0 H ILE A 21 -7.548 -1.782 3.524 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.437 -4.322 2.876 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.768 -2.962 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.006 -3.313 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.128 -2.042 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.540 -4.554 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.566 -5.384 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.015 -5.392 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.164 -1.192 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.976 -1.099 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.852 -2.390 -0.433 1.00 0.00 H new ATOM 287 N ILE A 22 -5.583 -4.404 4.577 1.00 0.00 N ATOM 288 CA ILE A 22 -4.763 -5.235 5.450 1.00 0.00 C ATOM 289 C ILE A 22 -5.569 -5.740 6.643 1.00 0.00 C ATOM 290 O ILE A 22 -5.832 -6.936 6.766 1.00 0.00 O ATOM 291 CB ILE A 22 -3.532 -4.467 5.965 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.579 -4.154 4.809 1.00 0.00 C ATOM 293 CG2 ILE A 22 -2.820 -5.269 7.044 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.257 -5.357 3.950 1.00 0.00 C ATOM 0 H ILE A 22 -5.179 -3.493 4.361 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.428 -6.084 4.854 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.866 -3.525 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.022 -3.379 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.652 -3.747 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.952 -4.713 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.502 -5.445 7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.495 -6.225 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.577 -5.062 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.785 -6.126 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.176 -5.751 3.517 1.00 0.00 H new ATOM 306 N ASP A 23 -5.958 -4.820 7.518 1.00 0.00 N ATOM 307 CA ASP A 23 -6.737 -5.171 8.701 1.00 0.00 C ATOM 308 C ASP A 23 -7.725 -6.290 8.388 1.00 0.00 C ATOM 309 O ASP A 23 -8.038 -7.115 9.248 1.00 0.00 O ATOM 310 CB ASP A 23 -7.485 -3.945 9.227 1.00 0.00 C ATOM 311 CG ASP A 23 -6.675 -3.164 10.243 1.00 0.00 C ATOM 312 OD1 ASP A 23 -5.814 -2.361 9.826 1.00 0.00 O ATOM 313 OD2 ASP A 23 -6.903 -3.355 11.456 1.00 0.00 O ATOM 0 H ASP A 23 -5.747 -3.826 7.431 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.048 -5.523 9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.740 -3.293 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.423 -4.263 9.682 1.00 0.00 H new ATOM 318 N THR A 24 -8.214 -6.313 7.152 1.00 0.00 N ATOM 319 CA THR A 24 -9.168 -7.329 6.727 1.00 0.00 C ATOM 320 C THR A 24 -8.460 -8.627 6.356 1.00 0.00 C ATOM 321 O THR A 24 -8.699 -9.672 6.961 1.00 0.00 O ATOM 322 CB THR A 24 -10.000 -6.849 5.523 1.00 0.00 C ATOM 323 OG1 THR A 24 -10.729 -5.667 5.871 1.00 0.00 O ATOM 324 CG2 THR A 24 -10.967 -7.932 5.068 1.00 0.00 C ATOM 0 H THR A 24 -7.965 -5.639 6.428 1.00 0.00 H new ATOM 0 HA THR A 24 -9.834 -7.510 7.571 1.00 0.00 H new ATOM 0 HB THR A 24 -9.317 -6.626 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.304 -4.887 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.544 -7.570 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.407 -8.820 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.644 -8.182 5.885 1.00 0.00 H new ATOM 332 N VAL A 25 -7.586 -8.554 5.357 1.00 0.00 N ATOM 333 CA VAL A 25 -6.841 -9.724 4.906 1.00 0.00 C ATOM 334 C VAL A 25 -6.182 -10.442 6.079 1.00 0.00 C ATOM 335 O VAL A 25 -6.271 -11.664 6.200 1.00 0.00 O ATOM 336 CB VAL A 25 -5.758 -9.339 3.881 1.00 0.00 C ATOM 337 CG1 VAL A 25 -4.923 -10.553 3.504 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.391 -8.714 2.647 1.00 0.00 C ATOM 0 H VAL A 25 -7.376 -7.697 4.845 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.559 -10.393 4.431 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.098 -8.601 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.163 -10.261 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.439 -10.953 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.567 -11.316 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.611 -8.448 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.075 -9.428 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.941 -7.818 2.934 1.00 0.00 H new ATOM 348 N ILE A 26 -5.523 -9.674 6.940 1.00 0.00 N ATOM 349 CA ILE A 26 -4.850 -10.237 8.104 1.00 0.00 C ATOM 350 C ILE A 26 -5.856 -10.815 9.094 1.00 0.00 C ATOM 351 O ILE A 26 -5.683 -11.925 9.594 1.00 0.00 O ATOM 352 CB ILE A 26 -3.989 -9.181 8.822 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.821 -8.753 7.932 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.480 -9.726 10.149 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.965 -7.664 8.541 1.00 0.00 C ATOM 0 H ILE A 26 -5.441 -8.661 6.854 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.203 -11.035 7.739 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.607 -8.306 9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.196 -9.621 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.212 -8.405 6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.873 -8.968 10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.327 -9.986 10.784 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.875 -10.615 9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.156 -7.411 7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.576 -6.780 8.724 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.545 -8.016 9.483 1.00 0.00 H new ATOM 367 N ASN A 27 -6.910 -10.054 9.370 1.00 0.00 N ATOM 368 CA ASN A 27 -7.946 -10.491 10.300 1.00 0.00 C ATOM 369 C ASN A 27 -9.049 -11.248 9.567 1.00 0.00 C ATOM 370 O ASN A 27 -10.226 -11.138 9.911 1.00 0.00 O ATOM 371 CB ASN A 27 -8.540 -9.288 11.036 1.00 0.00 C ATOM 372 CG ASN A 27 -7.472 -8.357 11.578 1.00 0.00 C ATOM 373 OD1 ASN A 27 -6.320 -8.752 11.753 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.853 -7.114 11.846 1.00 0.00 N ATOM 0 H ASN A 27 -7.070 -9.132 8.963 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.489 -11.163 11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.190 -8.735 10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.163 -9.640 11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.179 -6.442 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.820 -6.831 11.685 1.00 0.00 H new ATOM 381 N TYR A 28 -8.661 -12.018 8.557 1.00 0.00 N ATOM 382 CA TYR A 28 -9.616 -12.793 7.775 1.00 0.00 C ATOM 383 C TYR A 28 -9.575 -14.266 8.168 1.00 0.00 C ATOM 384 O TYR A 28 -8.503 -14.859 8.289 1.00 0.00 O ATOM 385 CB TYR A 28 -9.324 -12.644 6.281 1.00 0.00 C ATOM 386 CG TYR A 28 -10.027 -13.670 5.421 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.657 -15.009 5.458 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.063 -13.300 4.572 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.296 -15.949 4.674 1.00 0.00 C ATOM 390 CE2 TYR A 28 -11.709 -14.234 3.785 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.322 -15.557 3.839 1.00 0.00 C ATOM 392 OH TYR A 28 -11.963 -16.491 3.057 1.00 0.00 O ATOM 0 H TYR A 28 -7.691 -12.122 8.260 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.614 -12.408 7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.622 -11.646 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.249 -12.723 6.120 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.855 -15.320 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.368 -12.265 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.994 -16.985 4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.513 -13.930 3.131 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.661 -16.051 2.528 1.00 0.00 H new ATOM 402 N LYS A 29 -10.751 -14.852 8.366 1.00 0.00 N ATOM 403 CA LYS A 29 -10.853 -16.256 8.744 1.00 0.00 C ATOM 404 C LYS A 29 -11.449 -17.083 7.610 1.00 0.00 C ATOM 405 O LYS A 29 -12.392 -16.654 6.945 1.00 0.00 O ATOM 406 CB LYS A 29 -11.710 -16.406 10.003 1.00 0.00 C ATOM 407 CG LYS A 29 -13.185 -16.127 9.772 1.00 0.00 C ATOM 408 CD LYS A 29 -14.018 -16.486 10.991 1.00 0.00 C ATOM 409 CE LYS A 29 -15.424 -16.913 10.598 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.133 -17.587 11.721 1.00 0.00 N ATOM 0 H LYS A 29 -11.648 -14.375 8.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.848 -16.624 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.597 -17.418 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.336 -15.727 10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.324 -15.073 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.534 -16.697 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.532 -17.292 11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.071 -15.629 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.994 -16.039 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.373 -17.588 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.087 -17.863 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.603 -18.435 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.204 -16.935 12.528 1.00 0.00 H new ATOM 424 N ASP A 30 -10.895 -18.271 7.395 1.00 0.00 N ATOM 425 CA ASP A 30 -11.374 -19.160 6.343 1.00 0.00 C ATOM 426 C ASP A 30 -12.753 -19.714 6.685 1.00 0.00 C ATOM 427 O ASP A 30 -13.356 -19.331 7.688 1.00 0.00 O ATOM 428 CB ASP A 30 -10.388 -20.309 6.128 1.00 0.00 C ATOM 429 CG ASP A 30 -10.482 -20.900 4.735 1.00 0.00 C ATOM 430 OD1 ASP A 30 -10.223 -20.165 3.759 1.00 0.00 O ATOM 431 OD2 ASP A 30 -10.815 -22.098 4.620 1.00 0.00 O ATOM 0 H ASP A 30 -10.113 -18.641 7.936 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.453 -18.582 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.373 -19.950 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.578 -21.090 6.864 1.00 0.00 H new ATOM 436 N SER A 31 -13.248 -20.617 5.845 1.00 0.00 N ATOM 437 CA SER A 31 -14.559 -21.221 6.056 1.00 0.00 C ATOM 438 C SER A 31 -14.531 -22.177 7.245 1.00 0.00 C ATOM 439 O SER A 31 -15.555 -22.419 7.885 1.00 0.00 O ATOM 440 CB SER A 31 -15.009 -21.966 4.798 1.00 0.00 C ATOM 441 OG SER A 31 -14.911 -21.138 3.652 1.00 0.00 O ATOM 0 H SER A 31 -12.761 -20.947 5.012 1.00 0.00 H new ATOM 0 HA SER A 31 -15.270 -20.423 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.396 -22.857 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.038 -22.303 4.920 1.00 0.00 H new ATOM 0 HG SER A 31 -15.203 -21.638 2.861 1.00 0.00 H new ATOM 447 N SER A 32 -13.352 -22.718 7.533 1.00 0.00 N ATOM 448 CA SER A 32 -13.190 -23.652 8.642 1.00 0.00 C ATOM 449 C SER A 32 -13.275 -22.925 9.981 1.00 0.00 C ATOM 450 O SER A 32 -14.148 -23.207 10.800 1.00 0.00 O ATOM 451 CB SER A 32 -11.852 -24.383 8.530 1.00 0.00 C ATOM 452 OG SER A 32 -11.728 -25.377 9.532 1.00 0.00 O ATOM 0 H SER A 32 -12.495 -22.526 7.014 1.00 0.00 H new ATOM 0 HA SER A 32 -13.999 -24.381 8.592 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.766 -24.842 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.035 -23.668 8.620 1.00 0.00 H new ATOM 0 HG SER A 32 -10.865 -25.831 9.437 1.00 0.00 H new ATOM 458 N GLY A 33 -12.358 -21.985 10.196 1.00 0.00 N ATOM 459 CA GLY A 33 -12.345 -21.231 11.436 1.00 0.00 C ATOM 460 C GLY A 33 -10.944 -21.032 11.979 1.00 0.00 C ATOM 461 O GLY A 33 -10.690 -21.265 13.161 1.00 0.00 O ATOM 0 H GLY A 33 -11.625 -21.733 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.809 -20.259 11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.949 -21.750 12.180 1.00 0.00 H new ATOM 465 N ARG A 34 -10.032 -20.602 11.114 1.00 0.00 N ATOM 466 CA ARG A 34 -8.648 -20.375 11.513 1.00 0.00 C ATOM 467 C ARG A 34 -8.031 -19.234 10.709 1.00 0.00 C ATOM 468 O ARG A 34 -8.568 -18.826 9.680 1.00 0.00 O ATOM 469 CB ARG A 34 -7.824 -21.650 11.323 1.00 0.00 C ATOM 470 CG ARG A 34 -7.873 -22.590 12.516 1.00 0.00 C ATOM 471 CD ARG A 34 -7.098 -22.029 13.698 1.00 0.00 C ATOM 472 NE ARG A 34 -7.349 -22.783 14.924 1.00 0.00 N ATOM 473 CZ ARG A 34 -7.138 -22.297 16.142 1.00 0.00 C ATOM 474 NH1 ARG A 34 -6.675 -21.064 16.296 1.00 0.00 N ATOM 475 NH2 ARG A 34 -7.391 -23.044 17.209 1.00 0.00 N ATOM 0 H ARG A 34 -10.226 -20.404 10.132 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.641 -20.100 12.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.185 -22.178 10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.787 -21.377 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.910 -22.758 12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.460 -23.559 12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.032 -22.046 13.474 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.375 -20.986 13.851 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.706 -23.735 14.840 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.480 -20.487 15.478 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.514 -20.693 17.232 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.748 -23.993 17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.229 -22.670 18.144 1.00 0.00 H new ATOM 489 N GLN A 35 -6.901 -18.723 11.188 1.00 0.00 N ATOM 490 CA GLN A 35 -6.212 -17.628 10.515 1.00 0.00 C ATOM 491 C GLN A 35 -5.283 -18.156 9.427 1.00 0.00 C ATOM 492 O GLN A 35 -4.663 -19.209 9.583 1.00 0.00 O ATOM 493 CB GLN A 35 -5.416 -16.801 11.526 1.00 0.00 C ATOM 494 CG GLN A 35 -6.205 -15.647 12.123 1.00 0.00 C ATOM 495 CD GLN A 35 -6.129 -14.389 11.280 1.00 0.00 C ATOM 496 OE1 GLN A 35 -6.734 -14.307 10.211 1.00 0.00 O ATOM 497 NE2 GLN A 35 -5.383 -13.400 11.758 1.00 0.00 N ATOM 0 H GLN A 35 -6.444 -19.050 12.039 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.963 -16.992 10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.078 -17.454 12.331 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.524 -16.407 11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.248 -15.944 12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.828 -15.433 13.123 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.899 -13.511 12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.294 -12.529 11.234 1.00 0.00 H new ATOM 506 N LEU A 36 -5.191 -17.420 8.326 1.00 0.00 N ATOM 507 CA LEU A 36 -4.337 -17.814 7.211 1.00 0.00 C ATOM 508 C LEU A 36 -3.131 -16.887 7.094 1.00 0.00 C ATOM 509 O LEU A 36 -2.186 -17.172 6.359 1.00 0.00 O ATOM 510 CB LEU A 36 -5.132 -17.802 5.904 1.00 0.00 C ATOM 511 CG LEU A 36 -6.509 -18.465 5.951 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.578 -17.451 6.330 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.835 -19.111 4.612 1.00 0.00 C ATOM 0 H LEU A 36 -5.697 -16.547 8.181 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.978 -18.825 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.260 -16.766 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.538 -18.298 5.136 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.490 -19.244 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.551 -17.941 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.353 -17.035 7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.597 -16.649 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.818 -19.578 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.835 -18.350 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.085 -19.868 4.381 1.00 0.00 H new ATOM 525 N SER A 37 -3.171 -15.778 7.826 1.00 0.00 N ATOM 526 CA SER A 37 -2.082 -14.808 7.803 1.00 0.00 C ATOM 527 C SER A 37 -1.072 -15.099 8.908 1.00 0.00 C ATOM 528 O SER A 37 0.121 -14.837 8.758 1.00 0.00 O ATOM 529 CB SER A 37 -2.632 -13.389 7.960 1.00 0.00 C ATOM 530 OG SER A 37 -3.430 -13.277 9.126 1.00 0.00 O ATOM 0 H SER A 37 -3.945 -15.529 8.442 1.00 0.00 H new ATOM 0 HA SER A 37 -1.576 -14.890 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.806 -12.679 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.224 -13.126 7.084 1.00 0.00 H new ATOM 0 HG SER A 37 -4.251 -12.785 8.915 1.00 0.00 H new ATOM 536 N GLU A 38 -1.560 -15.643 10.019 1.00 0.00 N ATOM 537 CA GLU A 38 -0.700 -15.970 11.150 1.00 0.00 C ATOM 538 C GLU A 38 0.598 -16.620 10.678 1.00 0.00 C ATOM 539 O GLU A 38 1.691 -16.193 11.051 1.00 0.00 O ATOM 540 CB GLU A 38 -1.427 -16.904 12.120 1.00 0.00 C ATOM 541 CG GLU A 38 -2.207 -16.173 13.200 1.00 0.00 C ATOM 542 CD GLU A 38 -3.276 -17.040 13.836 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.168 -18.280 13.741 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.221 -16.477 14.428 1.00 0.00 O ATOM 0 H GLU A 38 -2.545 -15.866 10.159 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.455 -15.042 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.111 -17.539 11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.698 -17.562 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.518 -15.829 13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.672 -15.286 12.770 1.00 0.00 H new ATOM 551 N VAL A 39 0.468 -17.655 9.855 1.00 0.00 N ATOM 552 CA VAL A 39 1.629 -18.365 9.330 1.00 0.00 C ATOM 553 C VAL A 39 2.590 -17.407 8.634 1.00 0.00 C ATOM 554 O VAL A 39 3.801 -17.627 8.621 1.00 0.00 O ATOM 555 CB VAL A 39 1.212 -19.467 8.338 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.053 -20.278 8.897 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.849 -18.861 6.991 1.00 0.00 C ATOM 0 H VAL A 39 -0.429 -18.021 9.537 1.00 0.00 H new ATOM 0 HA VAL A 39 2.131 -18.824 10.182 1.00 0.00 H new ATOM 0 HB VAL A 39 2.057 -20.140 8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.228 -21.052 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.354 -20.743 9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.799 -19.621 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.557 -19.654 6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.019 -18.165 7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.710 -18.329 6.587 1.00 0.00 H new ATOM 567 N PHE A 40 2.042 -16.343 8.057 1.00 0.00 N ATOM 568 CA PHE A 40 2.850 -15.351 7.358 1.00 0.00 C ATOM 569 C PHE A 40 3.269 -14.228 8.302 1.00 0.00 C ATOM 570 O PHE A 40 4.256 -13.533 8.058 1.00 0.00 O ATOM 571 CB PHE A 40 2.075 -14.773 6.173 1.00 0.00 C ATOM 572 CG PHE A 40 1.630 -15.813 5.184 1.00 0.00 C ATOM 573 CD1 PHE A 40 0.407 -16.448 5.329 1.00 0.00 C ATOM 574 CD2 PHE A 40 2.435 -16.155 4.109 1.00 0.00 C ATOM 575 CE1 PHE A 40 -0.004 -17.405 4.421 1.00 0.00 C ATOM 576 CE2 PHE A 40 2.029 -17.111 3.197 1.00 0.00 C ATOM 577 CZ PHE A 40 0.807 -17.736 3.353 1.00 0.00 C ATOM 0 H PHE A 40 1.041 -16.146 8.060 1.00 0.00 H new ATOM 0 HA PHE A 40 3.748 -15.846 6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.201 -14.240 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.701 -14.041 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.232 -16.192 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.391 -15.669 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.959 -17.894 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.666 -17.369 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.486 -18.482 2.641 1.00 0.00 H new ATOM 587 N ILE A 41 2.511 -14.055 9.380 1.00 0.00 N ATOM 588 CA ILE A 41 2.803 -13.018 10.361 1.00 0.00 C ATOM 589 C ILE A 41 4.267 -13.058 10.785 1.00 0.00 C ATOM 590 O ILE A 41 4.951 -12.035 10.785 1.00 0.00 O ATOM 591 CB ILE A 41 1.914 -13.158 11.611 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.462 -12.813 11.273 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.429 -12.266 12.730 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.277 -11.395 10.781 1.00 0.00 C ATOM 0 H ILE A 41 1.690 -14.620 9.596 1.00 0.00 H new ATOM 0 HA ILE A 41 2.592 -12.062 9.881 1.00 0.00 H new ATOM 0 HB ILE A 41 1.952 -14.193 11.951 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.101 -13.503 10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.155 -12.965 12.159 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.790 -12.376 13.606 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.449 -12.555 12.985 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.418 -11.227 12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.776 -11.221 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.607 -10.697 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.867 -11.244 9.877 1.00 0.00 H new ATOM 606 N GLN A 42 4.741 -14.247 11.144 1.00 0.00 N ATOM 607 CA GLN A 42 6.125 -14.420 11.569 1.00 0.00 C ATOM 608 C GLN A 42 6.802 -15.534 10.777 1.00 0.00 C ATOM 609 O GLN A 42 6.493 -16.713 10.956 1.00 0.00 O ATOM 610 CB GLN A 42 6.186 -14.732 13.065 1.00 0.00 C ATOM 611 CG GLN A 42 6.163 -13.493 13.946 1.00 0.00 C ATOM 612 CD GLN A 42 5.717 -13.793 15.363 1.00 0.00 C ATOM 613 OE1 GLN A 42 5.313 -14.914 15.675 1.00 0.00 O ATOM 614 NE2 GLN A 42 5.787 -12.790 16.231 1.00 0.00 N ATOM 0 H GLN A 42 4.188 -15.104 11.149 1.00 0.00 H new ATOM 0 HA GLN A 42 6.657 -13.488 11.378 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.344 -15.371 13.329 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.094 -15.299 13.273 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.158 -13.049 13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.494 -12.752 13.508 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.128 -11.877 15.929 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.500 -12.933 17.199 1.00 0.00 H new ATOM 623 N LEU A 43 7.726 -15.154 9.902 1.00 0.00 N ATOM 624 CA LEU A 43 8.447 -16.121 9.082 1.00 0.00 C ATOM 625 C LEU A 43 9.848 -16.366 9.633 1.00 0.00 C ATOM 626 O LEU A 43 10.360 -15.604 10.453 1.00 0.00 O ATOM 627 CB LEU A 43 8.534 -15.630 7.636 1.00 0.00 C ATOM 628 CG LEU A 43 8.497 -14.114 7.439 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.536 -13.436 8.319 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.721 -13.760 5.976 1.00 0.00 C ATOM 0 H LEU A 43 7.994 -14.183 9.742 1.00 0.00 H new ATOM 0 HA LEU A 43 7.897 -17.062 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.457 -16.011 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.710 -16.070 7.074 1.00 0.00 H new ATOM 0 HG LEU A 43 7.511 -13.753 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.495 -12.358 8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.330 -13.662 9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.529 -13.802 8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.691 -12.677 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.693 -14.134 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.939 -14.215 5.368 1.00 0.00 H new ATOM 642 N PRO A 44 10.484 -17.453 9.172 1.00 0.00 N ATOM 643 CA PRO A 44 11.836 -17.821 9.604 1.00 0.00 C ATOM 644 C PRO A 44 12.895 -16.857 9.078 1.00 0.00 C ATOM 645 O PRO A 44 13.138 -16.784 7.874 1.00 0.00 O ATOM 646 CB PRO A 44 12.034 -19.214 9.000 1.00 0.00 C ATOM 647 CG PRO A 44 11.122 -19.250 7.823 1.00 0.00 C ATOM 648 CD PRO A 44 9.934 -18.405 8.194 1.00 0.00 C ATOM 0 HA PRO A 44 11.939 -17.793 10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.071 -19.373 8.703 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.785 -19.996 9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.617 -18.859 6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.818 -20.272 7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.518 -17.894 7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.133 -19.005 8.625 1.00 0.00 H new ATOM 656 N SER A 45 13.522 -16.121 9.989 1.00 0.00 N ATOM 657 CA SER A 45 14.553 -15.159 9.617 1.00 0.00 C ATOM 658 C SER A 45 15.740 -15.861 8.963 1.00 0.00 C ATOM 659 O SER A 45 15.727 -17.076 8.770 1.00 0.00 O ATOM 660 CB SER A 45 15.021 -14.379 10.847 1.00 0.00 C ATOM 661 OG SER A 45 14.019 -13.483 11.295 1.00 0.00 O ATOM 0 H SER A 45 13.334 -16.172 10.990 1.00 0.00 H new ATOM 0 HA SER A 45 14.123 -14.463 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.276 -15.074 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.928 -13.824 10.606 1.00 0.00 H new ATOM 0 HG SER A 45 14.342 -12.998 12.083 1.00 0.00 H new ATOM 667 N ARG A 46 16.765 -15.085 8.625 1.00 0.00 N ATOM 668 CA ARG A 46 17.960 -15.631 7.993 1.00 0.00 C ATOM 669 C ARG A 46 18.643 -16.645 8.905 1.00 0.00 C ATOM 670 O ARG A 46 19.012 -17.737 8.471 1.00 0.00 O ATOM 671 CB ARG A 46 18.935 -14.506 7.641 1.00 0.00 C ATOM 672 CG ARG A 46 18.306 -13.384 6.832 1.00 0.00 C ATOM 673 CD ARG A 46 19.187 -12.145 6.818 1.00 0.00 C ATOM 674 NE ARG A 46 18.965 -11.303 7.991 1.00 0.00 N ATOM 675 CZ ARG A 46 19.733 -10.266 8.307 1.00 0.00 C ATOM 676 NH1 ARG A 46 20.767 -9.945 7.542 1.00 0.00 N ATOM 677 NH2 ARG A 46 19.466 -9.547 9.390 1.00 0.00 N ATOM 0 H ARG A 46 16.792 -14.077 8.778 1.00 0.00 H new ATOM 0 HA ARG A 46 17.657 -16.139 7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.346 -14.092 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.770 -14.924 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.136 -13.722 5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.331 -13.134 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 20.234 -12.445 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.988 -11.568 5.915 1.00 0.00 H new ATOM 0 HE ARG A 46 18.177 -11.523 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.975 -10.495 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.355 -9.148 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.671 -9.790 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.056 -8.751 9.632 1.00 0.00 H new ATOM 691 N LYS A 47 18.810 -16.277 10.170 1.00 0.00 N ATOM 692 CA LYS A 47 19.448 -17.153 11.145 1.00 0.00 C ATOM 693 C LYS A 47 18.771 -18.520 11.174 1.00 0.00 C ATOM 694 O LYS A 47 19.424 -19.549 11.006 1.00 0.00 O ATOM 695 CB LYS A 47 19.402 -16.521 12.538 1.00 0.00 C ATOM 696 CG LYS A 47 20.452 -17.068 13.489 1.00 0.00 C ATOM 697 CD LYS A 47 20.842 -16.041 14.539 1.00 0.00 C ATOM 698 CE LYS A 47 19.857 -16.026 15.697 1.00 0.00 C ATOM 699 NZ LYS A 47 20.305 -15.125 16.795 1.00 0.00 N ATOM 0 H LYS A 47 18.512 -15.376 10.545 1.00 0.00 H new ATOM 0 HA LYS A 47 20.488 -17.288 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 47 19.536 -15.443 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 47 18.414 -16.683 12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.069 -17.963 13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.335 -17.366 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.841 -16.263 14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.885 -15.052 14.084 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.880 -15.703 15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.736 -17.038 16.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.607 -15.143 17.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 21.226 -15.448 17.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.396 -14.155 16.432 1.00 0.00 H new ATOM 713 N GLU A 48 17.459 -18.521 11.386 1.00 0.00 N ATOM 714 CA GLU A 48 16.694 -19.762 11.435 1.00 0.00 C ATOM 715 C GLU A 48 16.703 -20.461 10.078 1.00 0.00 C ATOM 716 O GLU A 48 17.065 -21.633 9.974 1.00 0.00 O ATOM 717 CB GLU A 48 15.253 -19.482 11.867 1.00 0.00 C ATOM 718 CG GLU A 48 15.149 -18.678 13.152 1.00 0.00 C ATOM 719 CD GLU A 48 15.837 -19.354 14.322 1.00 0.00 C ATOM 720 OE1 GLU A 48 15.329 -20.397 14.786 1.00 0.00 O ATOM 721 OE2 GLU A 48 16.882 -18.842 14.773 1.00 0.00 O ATOM 0 H GLU A 48 16.904 -17.677 11.527 1.00 0.00 H new ATOM 0 HA GLU A 48 17.164 -20.420 12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.741 -18.944 11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.731 -20.430 11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.589 -17.693 12.996 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.098 -18.522 13.394 1.00 0.00 H new ATOM 728 N LEU A 49 16.302 -19.733 9.042 1.00 0.00 N ATOM 729 CA LEU A 49 16.263 -20.282 7.691 1.00 0.00 C ATOM 730 C LEU A 49 16.904 -19.321 6.694 1.00 0.00 C ATOM 731 O LEU A 49 16.232 -18.509 6.058 1.00 0.00 O ATOM 732 CB LEU A 49 14.819 -20.574 7.280 1.00 0.00 C ATOM 733 CG LEU A 49 14.637 -21.362 5.982 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.423 -22.663 6.033 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.162 -21.638 5.728 1.00 0.00 C ATOM 0 H LEU A 49 15.999 -18.761 9.111 1.00 0.00 H new ATOM 0 HA LEU A 49 16.831 -21.213 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.337 -21.126 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.291 -19.625 7.183 1.00 0.00 H new ATOM 0 HG LEU A 49 15.021 -20.761 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.282 -23.210 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.482 -22.443 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.069 -23.269 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.051 -22.200 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.753 -22.219 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.624 -20.694 5.647 1.00 0.00 H new ATOM 747 N PRO A 50 18.234 -19.415 6.553 1.00 0.00 N ATOM 748 CA PRO A 50 18.994 -18.564 5.633 1.00 0.00 C ATOM 749 C PRO A 50 18.717 -18.897 4.171 1.00 0.00 C ATOM 750 O PRO A 50 18.733 -18.018 3.310 1.00 0.00 O ATOM 751 CB PRO A 50 20.451 -18.874 5.985 1.00 0.00 C ATOM 752 CG PRO A 50 20.417 -20.245 6.565 1.00 0.00 C ATOM 753 CD PRO A 50 19.099 -20.360 7.279 1.00 0.00 C ATOM 0 HA PRO A 50 18.730 -17.512 5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.089 -18.833 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 50 20.848 -18.152 6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.505 -21.001 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.248 -20.398 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.707 -21.376 7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.188 -20.095 8.333 1.00 0.00 H new ATOM 761 N GLU A 51 18.462 -20.173 3.898 1.00 0.00 N ATOM 762 CA GLU A 51 18.181 -20.622 2.539 1.00 0.00 C ATOM 763 C GLU A 51 16.908 -19.971 2.004 1.00 0.00 C ATOM 764 O GLU A 51 16.761 -19.772 0.798 1.00 0.00 O ATOM 765 CB GLU A 51 18.044 -22.145 2.499 1.00 0.00 C ATOM 766 CG GLU A 51 16.713 -22.651 3.030 1.00 0.00 C ATOM 767 CD GLU A 51 16.760 -24.113 3.427 1.00 0.00 C ATOM 768 OE1 GLU A 51 17.844 -24.581 3.836 1.00 0.00 O ATOM 769 OE2 GLU A 51 15.715 -24.790 3.330 1.00 0.00 O ATOM 0 H GLU A 51 18.444 -20.913 4.599 1.00 0.00 H new ATOM 0 HA GLU A 51 19.016 -20.323 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.169 -22.486 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.851 -22.589 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.420 -22.053 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.945 -22.510 2.269 1.00 0.00 H new ATOM 776 N TYR A 52 15.993 -19.644 2.908 1.00 0.00 N ATOM 777 CA TYR A 52 14.732 -19.019 2.528 1.00 0.00 C ATOM 778 C TYR A 52 14.972 -17.668 1.861 1.00 0.00 C ATOM 779 O TYR A 52 14.225 -17.260 0.971 1.00 0.00 O ATOM 780 CB TYR A 52 13.835 -18.843 3.754 1.00 0.00 C ATOM 781 CG TYR A 52 12.552 -18.097 3.465 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.495 -18.720 2.814 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.397 -16.769 3.843 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.321 -18.042 2.546 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.227 -16.083 3.581 1.00 0.00 C ATOM 786 CZ TYR A 52 10.192 -16.724 2.932 1.00 0.00 C ATOM 787 OH TYR A 52 9.024 -16.046 2.669 1.00 0.00 O ATOM 0 H TYR A 52 16.100 -19.801 3.910 1.00 0.00 H new ATOM 0 HA TYR A 52 14.233 -19.673 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.591 -19.825 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.390 -18.309 4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.592 -19.752 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.206 -16.264 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.509 -18.541 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.123 -15.051 3.882 1.00 0.00 H new ATOM 0 HH TYR A 52 9.095 -15.129 3.006 1.00 0.00 H new ATOM 797 N TYR A 53 16.020 -16.979 2.298 1.00 0.00 N ATOM 798 CA TYR A 53 16.360 -15.673 1.746 1.00 0.00 C ATOM 799 C TYR A 53 17.176 -15.819 0.464 1.00 0.00 C ATOM 800 O TYR A 53 17.337 -14.862 -0.293 1.00 0.00 O ATOM 801 CB TYR A 53 17.143 -14.851 2.771 1.00 0.00 C ATOM 802 CG TYR A 53 16.297 -14.353 3.921 1.00 0.00 C ATOM 803 CD1 TYR A 53 15.656 -15.243 4.774 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.138 -12.992 4.154 1.00 0.00 C ATOM 805 CE1 TYR A 53 14.882 -14.793 5.826 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.366 -12.533 5.204 1.00 0.00 C ATOM 807 CZ TYR A 53 14.740 -13.437 6.037 1.00 0.00 C ATOM 808 OH TYR A 53 13.970 -12.984 7.084 1.00 0.00 O ATOM 0 H TYR A 53 16.649 -17.303 3.033 1.00 0.00 H new ATOM 0 HA TYR A 53 15.431 -15.155 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 53 17.957 -15.459 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.597 -13.997 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 53 15.765 -16.305 4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.626 -12.281 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.391 -15.499 6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.253 -11.472 5.372 1.00 0.00 H new ATOM 0 HH TYR A 53 13.975 -12.004 7.093 1.00 0.00 H new ATOM 818 N GLU A 54 17.687 -17.023 0.229 1.00 0.00 N ATOM 819 CA GLU A 54 18.486 -17.295 -0.960 1.00 0.00 C ATOM 820 C GLU A 54 17.608 -17.338 -2.207 1.00 0.00 C ATOM 821 O GLU A 54 17.943 -16.753 -3.237 1.00 0.00 O ATOM 822 CB GLU A 54 19.237 -18.618 -0.805 1.00 0.00 C ATOM 823 CG GLU A 54 20.113 -18.680 0.435 1.00 0.00 C ATOM 824 CD GLU A 54 21.291 -17.728 0.366 1.00 0.00 C ATOM 825 OE1 GLU A 54 21.845 -17.549 -0.739 1.00 0.00 O ATOM 826 OE2 GLU A 54 21.660 -17.163 1.417 1.00 0.00 O ATOM 0 H GLU A 54 17.562 -17.826 0.846 1.00 0.00 H new ATOM 0 HA GLU A 54 19.209 -16.487 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.515 -19.434 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.858 -18.779 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.511 -18.444 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.481 -19.698 0.565 1.00 0.00 H new ATOM 833 N LEU A 55 16.482 -18.037 -2.106 1.00 0.00 N ATOM 834 CA LEU A 55 15.554 -18.158 -3.226 1.00 0.00 C ATOM 835 C LEU A 55 14.551 -17.009 -3.229 1.00 0.00 C ATOM 836 O LEU A 55 14.244 -16.444 -4.278 1.00 0.00 O ATOM 837 CB LEU A 55 14.815 -19.496 -3.158 1.00 0.00 C ATOM 838 CG LEU A 55 14.598 -20.073 -1.759 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.315 -20.887 -1.710 1.00 0.00 C ATOM 840 CD2 LEU A 55 15.788 -20.925 -1.342 1.00 0.00 C ATOM 0 H LEU A 55 16.190 -18.528 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 55 16.130 -18.114 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.842 -19.375 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.370 -20.225 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 55 14.506 -19.245 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.178 -21.290 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.469 -20.248 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.377 -21.708 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.616 -21.327 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.912 -21.746 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.690 -20.312 -1.336 1.00 0.00 H new ATOM 852 N ILE A 56 14.046 -16.669 -2.048 1.00 0.00 N ATOM 853 CA ILE A 56 13.080 -15.585 -1.915 1.00 0.00 C ATOM 854 C ILE A 56 13.734 -14.232 -2.170 1.00 0.00 C ATOM 855 O ILE A 56 14.570 -13.778 -1.388 1.00 0.00 O ATOM 856 CB ILE A 56 12.434 -15.576 -0.516 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.760 -16.920 -0.233 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.429 -14.439 -0.405 1.00 0.00 C ATOM 859 CD1 ILE A 56 10.623 -17.237 -1.179 1.00 0.00 C ATOM 0 H ILE A 56 14.289 -17.128 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 56 12.306 -15.758 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 56 13.215 -15.419 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.506 -17.712 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.382 -16.920 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.981 -14.445 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.936 -13.488 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.649 -14.568 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.192 -18.204 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.857 -16.465 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.999 -17.270 -2.202 1.00 0.00 H new ATOM 871 N ARG A 57 13.346 -13.591 -3.267 1.00 0.00 N ATOM 872 CA ARG A 57 13.894 -12.288 -3.625 1.00 0.00 C ATOM 873 C ARG A 57 13.838 -11.330 -2.439 1.00 0.00 C ATOM 874 O ARG A 57 14.870 -10.939 -1.894 1.00 0.00 O ATOM 875 CB ARG A 57 13.126 -11.696 -4.809 1.00 0.00 C ATOM 876 CG ARG A 57 13.165 -12.564 -6.056 1.00 0.00 C ATOM 877 CD ARG A 57 14.515 -12.482 -6.751 1.00 0.00 C ATOM 878 NE ARG A 57 14.774 -13.652 -7.585 1.00 0.00 N ATOM 879 CZ ARG A 57 15.871 -13.803 -8.319 1.00 0.00 C ATOM 880 NH1 ARG A 57 16.806 -12.863 -8.321 1.00 0.00 N ATOM 881 NH2 ARG A 57 16.034 -14.897 -9.052 1.00 0.00 N ATOM 0 H ARG A 57 12.654 -13.952 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 57 14.937 -12.426 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.087 -11.541 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.540 -10.716 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.956 -13.599 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.381 -12.249 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.552 -11.583 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.302 -12.389 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 57 14.074 -14.394 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.684 -12.021 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.647 -12.982 -8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.317 -15.622 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.876 -15.013 -9.615 1.00 0.00 H new ATOM 895 N LYS A 58 12.626 -10.955 -2.044 1.00 0.00 N ATOM 896 CA LYS A 58 12.434 -10.044 -0.923 1.00 0.00 C ATOM 897 C LYS A 58 11.395 -10.591 0.051 1.00 0.00 C ATOM 898 O LYS A 58 10.193 -10.379 -0.103 1.00 0.00 O ATOM 899 CB LYS A 58 12.000 -8.666 -1.427 1.00 0.00 C ATOM 900 CG LYS A 58 12.726 -8.222 -2.685 1.00 0.00 C ATOM 901 CD LYS A 58 11.895 -7.236 -3.490 1.00 0.00 C ATOM 902 CE LYS A 58 11.823 -5.879 -2.806 1.00 0.00 C ATOM 903 NZ LYS A 58 11.432 -4.800 -3.755 1.00 0.00 N ATOM 0 H LYS A 58 11.761 -11.269 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 58 13.384 -9.949 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.928 -8.681 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.170 -7.931 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.677 -7.762 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.956 -9.092 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.327 -7.121 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.888 -7.631 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.103 -5.922 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.792 -5.642 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.394 -3.891 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.132 -4.742 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.496 -5.013 -4.156 1.00 0.00 H new ATOM 917 N PRO A 59 11.869 -11.310 1.080 1.00 0.00 N ATOM 918 CA PRO A 59 10.997 -11.901 2.100 1.00 0.00 C ATOM 919 C PRO A 59 10.363 -10.847 3.002 1.00 0.00 C ATOM 920 O PRO A 59 11.045 -10.216 3.811 1.00 0.00 O ATOM 921 CB PRO A 59 11.946 -12.792 2.905 1.00 0.00 C ATOM 922 CG PRO A 59 13.292 -12.182 2.714 1.00 0.00 C ATOM 923 CD PRO A 59 13.291 -11.603 1.326 1.00 0.00 C ATOM 0 HA PRO A 59 10.158 -12.438 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.668 -12.816 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.923 -13.821 2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.479 -11.409 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.078 -12.929 2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.903 -10.703 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.688 -12.308 0.596 1.00 0.00 H new ATOM 931 N VAL A 60 9.055 -10.660 2.857 1.00 0.00 N ATOM 932 CA VAL A 60 8.329 -9.683 3.660 1.00 0.00 C ATOM 933 C VAL A 60 7.253 -10.356 4.504 1.00 0.00 C ATOM 934 O VAL A 60 6.867 -11.495 4.243 1.00 0.00 O ATOM 935 CB VAL A 60 7.674 -8.606 2.776 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.747 -9.245 1.754 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.922 -7.598 3.633 1.00 0.00 C ATOM 0 H VAL A 60 8.476 -11.172 2.191 1.00 0.00 H new ATOM 0 HA VAL A 60 9.058 -9.209 4.317 1.00 0.00 H new ATOM 0 HB VAL A 60 8.460 -8.076 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.293 -8.468 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.317 -9.924 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.965 -9.802 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.465 -6.844 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.145 -8.111 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.616 -7.116 4.322 1.00 0.00 H new ATOM 947 N ASP A 61 6.772 -9.644 5.517 1.00 0.00 N ATOM 948 CA ASP A 61 5.738 -10.172 6.400 1.00 0.00 C ATOM 949 C ASP A 61 4.588 -9.180 6.543 1.00 0.00 C ATOM 950 O ASP A 61 4.588 -8.118 5.919 1.00 0.00 O ATOM 951 CB ASP A 61 6.326 -10.492 7.775 1.00 0.00 C ATOM 952 CG ASP A 61 7.147 -9.347 8.334 1.00 0.00 C ATOM 953 OD1 ASP A 61 8.270 -9.123 7.835 1.00 0.00 O ATOM 954 OD2 ASP A 61 6.668 -8.675 9.272 1.00 0.00 O ATOM 0 H ASP A 61 7.081 -8.700 5.747 1.00 0.00 H new ATOM 0 HA ASP A 61 5.350 -11.089 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.517 -10.727 8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.951 -11.382 7.701 1.00 0.00 H new ATOM 959 N PHE A 62 3.608 -9.533 7.368 1.00 0.00 N ATOM 960 CA PHE A 62 2.450 -8.675 7.592 1.00 0.00 C ATOM 961 C PHE A 62 2.769 -7.586 8.611 1.00 0.00 C ATOM 962 O PHE A 62 2.175 -6.508 8.591 1.00 0.00 O ATOM 963 CB PHE A 62 1.258 -9.506 8.073 1.00 0.00 C ATOM 964 CG PHE A 62 0.459 -10.112 6.954 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.145 -9.307 6.002 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.314 -11.486 6.855 1.00 0.00 C ATOM 967 CE1 PHE A 62 -0.882 -9.862 4.973 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.421 -12.047 5.827 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.019 -11.234 4.884 1.00 0.00 C ATOM 0 H PHE A 62 3.592 -10.408 7.893 1.00 0.00 H new ATOM 0 HA PHE A 62 2.194 -8.199 6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.619 -10.302 8.723 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.604 -8.875 8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.039 -8.234 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.780 -12.126 7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.351 -9.224 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.527 -13.120 5.761 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.592 -11.670 4.079 1.00 0.00 H new ATOM 979 N LYS A 63 3.712 -7.875 9.501 1.00 0.00 N ATOM 980 CA LYS A 63 4.113 -6.921 10.529 1.00 0.00 C ATOM 981 C LYS A 63 4.882 -5.755 9.918 1.00 0.00 C ATOM 982 O LYS A 63 4.898 -4.652 10.467 1.00 0.00 O ATOM 983 CB LYS A 63 4.972 -7.614 11.589 1.00 0.00 C ATOM 984 CG LYS A 63 4.403 -8.940 12.062 1.00 0.00 C ATOM 985 CD LYS A 63 5.245 -9.543 13.174 1.00 0.00 C ATOM 986 CE LYS A 63 6.566 -10.079 12.645 1.00 0.00 C ATOM 987 NZ LYS A 63 7.639 -10.025 13.677 1.00 0.00 N ATOM 0 H LYS A 63 4.213 -8.763 9.531 1.00 0.00 H new ATOM 0 HA LYS A 63 3.211 -6.531 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.970 -7.781 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.083 -6.950 12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.382 -8.794 12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.353 -9.635 11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.437 -8.788 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.691 -10.349 13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.433 -11.109 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.870 -9.499 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.524 -10.399 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.784 -9.040 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.360 -10.599 14.498 1.00 0.00 H new ATOM 1001 N LYS A 64 5.519 -6.003 8.779 1.00 0.00 N ATOM 1002 CA LYS A 64 6.288 -4.973 8.091 1.00 0.00 C ATOM 1003 C LYS A 64 5.384 -4.113 7.214 1.00 0.00 C ATOM 1004 O LYS A 64 5.405 -2.885 7.302 1.00 0.00 O ATOM 1005 CB LYS A 64 7.386 -5.612 7.238 1.00 0.00 C ATOM 1006 CG LYS A 64 8.671 -5.882 8.002 1.00 0.00 C ATOM 1007 CD LYS A 64 9.306 -4.594 8.499 1.00 0.00 C ATOM 1008 CE LYS A 64 10.820 -4.715 8.583 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.478 -3.383 8.679 1.00 0.00 N ATOM 0 H LYS A 64 5.518 -6.910 8.312 1.00 0.00 H new ATOM 0 HA LYS A 64 6.748 -4.334 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.014 -6.550 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.606 -4.958 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.461 -6.536 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.374 -6.410 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.042 -3.775 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.905 -4.345 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.089 -5.316 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.192 -5.241 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.000 -3.189 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.756 -2.648 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.139 -3.379 9.482 1.00 0.00 H new ATOM 1023 N ILE A 65 4.591 -4.765 6.371 1.00 0.00 N ATOM 1024 CA ILE A 65 3.679 -4.059 5.481 1.00 0.00 C ATOM 1025 C ILE A 65 2.971 -2.922 6.209 1.00 0.00 C ATOM 1026 O ILE A 65 2.719 -1.863 5.633 1.00 0.00 O ATOM 1027 CB ILE A 65 2.622 -5.011 4.888 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.300 -6.129 4.093 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.651 -4.240 4.006 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.480 -7.397 4.016 1.00 0.00 C ATOM 0 H ILE A 65 4.562 -5.781 6.286 1.00 0.00 H new ATOM 0 HA ILE A 65 4.282 -3.649 4.671 1.00 0.00 H new ATOM 0 HB ILE A 65 2.060 -5.462 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.502 -5.774 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.263 -6.356 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.910 -4.926 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.148 -3.476 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.198 -3.765 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.021 -8.146 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.300 -7.775 5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.527 -7.185 3.532 1.00 0.00 H new ATOM 1042 N LYS A 66 2.653 -3.147 7.479 1.00 0.00 N ATOM 1043 CA LYS A 66 1.977 -2.141 8.289 1.00 0.00 C ATOM 1044 C LYS A 66 2.967 -1.101 8.804 1.00 0.00 C ATOM 1045 O LYS A 66 2.640 0.081 8.910 1.00 0.00 O ATOM 1046 CB LYS A 66 1.258 -2.803 9.467 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.018 -3.526 9.072 1.00 0.00 C ATOM 1048 CD LYS A 66 -0.929 -3.743 10.268 1.00 0.00 C ATOM 1049 CE LYS A 66 -0.620 -5.055 10.974 1.00 0.00 C ATOM 1050 NZ LYS A 66 0.523 -4.920 11.919 1.00 0.00 N ATOM 0 H LYS A 66 2.853 -4.018 7.970 1.00 0.00 H new ATOM 0 HA LYS A 66 1.243 -1.638 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.935 -3.512 9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.019 -2.042 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.545 -2.948 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.232 -4.488 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.814 -2.916 10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.968 -3.741 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.503 -5.392 11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.390 -5.821 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.457 -5.655 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.417 -5.028 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.494 -3.982 12.367 1.00 0.00 H new ATOM 1064 N GLU A 67 4.178 -1.549 9.120 1.00 0.00 N ATOM 1065 CA GLU A 67 5.215 -0.656 9.623 1.00 0.00 C ATOM 1066 C GLU A 67 5.362 0.568 8.723 1.00 0.00 C ATOM 1067 O GLU A 67 5.663 1.665 9.194 1.00 0.00 O ATOM 1068 CB GLU A 67 6.552 -1.394 9.720 1.00 0.00 C ATOM 1069 CG GLU A 67 7.672 -0.550 10.304 1.00 0.00 C ATOM 1070 CD GLU A 67 9.025 -1.229 10.209 1.00 0.00 C ATOM 1071 OE1 GLU A 67 9.596 -1.261 9.099 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.512 -1.729 11.245 1.00 0.00 O ATOM 0 H GLU A 67 4.465 -2.524 9.037 1.00 0.00 H new ATOM 0 HA GLU A 67 4.920 -0.322 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.422 -2.285 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.844 -1.732 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.712 0.406 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.451 -0.333 11.349 1.00 0.00 H new ATOM 1079 N ARG A 68 5.148 0.371 7.427 1.00 0.00 N ATOM 1080 CA ARG A 68 5.258 1.458 6.460 1.00 0.00 C ATOM 1081 C ARG A 68 4.015 2.342 6.492 1.00 0.00 C ATOM 1082 O ARG A 68 4.102 3.559 6.329 1.00 0.00 O ATOM 1083 CB ARG A 68 5.462 0.897 5.052 1.00 0.00 C ATOM 1084 CG ARG A 68 6.893 0.472 4.767 1.00 0.00 C ATOM 1085 CD ARG A 68 7.005 -0.250 3.433 1.00 0.00 C ATOM 1086 NE ARG A 68 7.204 0.678 2.323 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.354 1.296 2.079 1.00 0.00 C ATOM 1088 NH1 ARG A 68 9.403 1.085 2.862 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.456 2.127 1.050 1.00 0.00 N ATOM 0 H ARG A 68 4.897 -0.531 7.021 1.00 0.00 H new ATOM 0 HA ARG A 68 6.122 2.066 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.803 0.040 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.164 1.651 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.540 1.349 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.246 -0.180 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.836 -0.954 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.101 -0.834 3.260 1.00 0.00 H new ATOM 0 HE ARG A 68 6.417 0.862 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.328 0.447 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.285 1.561 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.651 2.292 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.339 2.601 0.863 1.00 0.00 H new ATOM 1103 N ILE A 69 2.859 1.721 6.704 1.00 0.00 N ATOM 1104 CA ILE A 69 1.599 2.451 6.758 1.00 0.00 C ATOM 1105 C ILE A 69 1.606 3.477 7.886 1.00 0.00 C ATOM 1106 O ILE A 69 1.226 4.632 7.691 1.00 0.00 O ATOM 1107 CB ILE A 69 0.404 1.499 6.952 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.350 0.475 5.816 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.895 2.287 7.025 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.744 -0.557 5.985 1.00 0.00 C ATOM 0 H ILE A 69 2.770 0.714 6.841 1.00 0.00 H new ATOM 0 HA ILE A 69 1.491 2.965 5.803 1.00 0.00 H new ATOM 0 HB ILE A 69 0.534 0.964 7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.201 0.999 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.312 -0.034 5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.730 1.600 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.853 2.980 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.034 2.846 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.723 -1.250 5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.585 -1.107 6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.712 -0.058 6.020 1.00 0.00 H new ATOM 1122 N ARG A 70 2.041 3.048 9.066 1.00 0.00 N ATOM 1123 CA ARG A 70 2.099 3.929 10.226 1.00 0.00 C ATOM 1124 C ARG A 70 3.286 4.883 10.126 1.00 0.00 C ATOM 1125 O ARG A 70 3.284 5.957 10.725 1.00 0.00 O ATOM 1126 CB ARG A 70 2.198 3.108 11.512 1.00 0.00 C ATOM 1127 CG ARG A 70 3.543 2.426 11.698 1.00 0.00 C ATOM 1128 CD ARG A 70 3.846 2.182 13.168 1.00 0.00 C ATOM 1129 NE ARG A 70 2.919 1.225 13.766 1.00 0.00 N ATOM 1130 CZ ARG A 70 3.030 -0.091 13.627 1.00 0.00 C ATOM 1131 NH1 ARG A 70 4.023 -0.605 12.914 1.00 0.00 N ATOM 1132 NH2 ARG A 70 2.146 -0.897 14.202 1.00 0.00 N ATOM 0 H ARG A 70 2.359 2.095 9.244 1.00 0.00 H new ATOM 0 HA ARG A 70 1.182 4.518 10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.010 3.760 12.365 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.414 2.351 11.511 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.548 1.477 11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.328 3.043 11.261 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.866 1.812 13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.793 3.126 13.711 1.00 0.00 H new ATOM 0 HE ARG A 70 2.144 1.587 14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.704 0.011 12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.105 -1.616 12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.381 -0.506 14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.232 -1.908 14.095 1.00 0.00 H new ATOM 1146 N ASN A 71 4.298 4.481 9.364 1.00 0.00 N ATOM 1147 CA ASN A 71 5.493 5.300 9.187 1.00 0.00 C ATOM 1148 C ASN A 71 5.377 6.166 7.936 1.00 0.00 C ATOM 1149 O ASN A 71 6.376 6.672 7.424 1.00 0.00 O ATOM 1150 CB ASN A 71 6.735 4.412 9.093 1.00 0.00 C ATOM 1151 CG ASN A 71 7.084 3.763 10.419 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.432 4.011 11.434 1.00 0.00 O ATOM 1153 ND2 ASN A 71 8.116 2.928 10.415 1.00 0.00 N ATOM 0 H ASN A 71 4.315 3.595 8.860 1.00 0.00 H new ATOM 0 HA ASN A 71 5.587 5.955 10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.568 3.637 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.580 5.009 8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.398 2.462 11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.627 2.753 9.550 1.00 0.00 H new ATOM 1160 N HIS A 72 4.152 6.332 7.449 1.00 0.00 N ATOM 1161 CA HIS A 72 3.905 7.139 6.259 1.00 0.00 C ATOM 1162 C HIS A 72 4.972 6.883 5.199 1.00 0.00 C ATOM 1163 O HIS A 72 5.359 7.789 4.461 1.00 0.00 O ATOM 1164 CB HIS A 72 3.875 8.624 6.620 1.00 0.00 C ATOM 1165 CG HIS A 72 2.844 8.969 7.651 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.507 9.129 7.354 1.00 0.00 N ATOM 1167 CD2 HIS A 72 2.960 9.182 8.982 1.00 0.00 C ATOM 1168 CE1 HIS A 72 0.846 9.428 8.457 1.00 0.00 C ATOM 1169 NE2 HIS A 72 1.705 9.466 9.460 1.00 0.00 N ATOM 0 H HIS A 72 3.315 5.919 7.860 1.00 0.00 H new ATOM 0 HA HIS A 72 2.935 6.853 5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.858 8.920 6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.684 9.205 5.718 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.871 9.137 9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.216 9.610 8.527 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.473 9.673 10.432 1.00 0.00 H new ATOM 1178 N LYS A 73 5.444 5.643 5.128 1.00 0.00 N ATOM 1179 CA LYS A 73 6.465 5.266 4.159 1.00 0.00 C ATOM 1180 C LYS A 73 5.859 5.092 2.770 1.00 0.00 C ATOM 1181 O LYS A 73 6.419 5.554 1.775 1.00 0.00 O ATOM 1182 CB LYS A 73 7.155 3.970 4.592 1.00 0.00 C ATOM 1183 CG LYS A 73 7.935 4.101 5.889 1.00 0.00 C ATOM 1184 CD LYS A 73 9.382 4.485 5.633 1.00 0.00 C ATOM 1185 CE LYS A 73 9.577 5.993 5.692 1.00 0.00 C ATOM 1186 NZ LYS A 73 10.668 6.447 4.786 1.00 0.00 N ATOM 0 H LYS A 73 5.135 4.881 5.731 1.00 0.00 H new ATOM 0 HA LYS A 73 7.203 6.067 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.404 3.189 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.832 3.647 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.465 4.853 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.899 3.157 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.023 4.005 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.690 4.115 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.647 6.490 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.808 6.290 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.769 7.480 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.561 5.992 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.436 6.187 3.806 1.00 0.00 H new ATOM 1200 N TYR A 74 4.713 4.424 2.709 1.00 0.00 N ATOM 1201 CA TYR A 74 4.032 4.188 1.442 1.00 0.00 C ATOM 1202 C TYR A 74 3.685 5.506 0.756 1.00 0.00 C ATOM 1203 O TYR A 74 3.393 6.504 1.416 1.00 0.00 O ATOM 1204 CB TYR A 74 2.760 3.367 1.667 1.00 0.00 C ATOM 1205 CG TYR A 74 2.997 1.874 1.675 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.680 1.253 0.637 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.539 1.085 2.723 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.898 -0.111 0.641 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.754 -0.280 2.736 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.433 -0.873 1.692 1.00 0.00 C ATOM 1211 OH TYR A 74 3.649 -2.232 1.700 1.00 0.00 O ATOM 0 H TYR A 74 4.236 4.036 3.523 1.00 0.00 H new ATOM 0 HA TYR A 74 4.708 3.629 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.311 3.660 2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.039 3.608 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.047 1.847 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.006 1.546 3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.430 -0.578 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.393 -0.879 3.559 1.00 0.00 H new ATOM 0 HH TYR A 74 4.310 -2.462 1.014 1.00 0.00 H new ATOM 1221 N ARG A 75 3.718 5.502 -0.572 1.00 0.00 N ATOM 1222 CA ARG A 75 3.408 6.696 -1.348 1.00 0.00 C ATOM 1223 C ARG A 75 1.998 6.618 -1.926 1.00 0.00 C ATOM 1224 O ARG A 75 1.383 7.641 -2.228 1.00 0.00 O ATOM 1225 CB ARG A 75 4.424 6.874 -2.478 1.00 0.00 C ATOM 1226 CG ARG A 75 4.585 5.641 -3.352 1.00 0.00 C ATOM 1227 CD ARG A 75 4.977 6.013 -4.774 1.00 0.00 C ATOM 1228 NE ARG A 75 5.219 4.834 -5.601 1.00 0.00 N ATOM 1229 CZ ARG A 75 5.380 4.882 -6.919 1.00 0.00 C ATOM 1230 NH1 ARG A 75 5.325 6.044 -7.555 1.00 0.00 N ATOM 1231 NH2 ARG A 75 5.597 3.766 -7.603 1.00 0.00 N ATOM 0 H ARG A 75 3.956 4.684 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 75 3.462 7.556 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.117 7.714 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.391 7.133 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.344 4.987 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.651 5.079 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.186 6.614 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.874 6.631 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 75 5.267 3.924 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.159 6.904 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.449 6.078 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.640 2.870 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.720 3.804 -8.615 1.00 0.00 H new ATOM 1245 N SER A 76 1.492 5.399 -2.077 1.00 0.00 N ATOM 1246 CA SER A 76 0.156 5.187 -2.622 1.00 0.00 C ATOM 1247 C SER A 76 -0.300 3.748 -2.399 1.00 0.00 C ATOM 1248 O SER A 76 0.460 2.912 -1.909 1.00 0.00 O ATOM 1249 CB SER A 76 0.134 5.516 -4.116 1.00 0.00 C ATOM 1250 OG SER A 76 0.627 4.431 -4.884 1.00 0.00 O ATOM 0 H SER A 76 1.987 4.542 -1.830 1.00 0.00 H new ATOM 0 HA SER A 76 -0.532 5.852 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.884 5.751 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.738 6.404 -4.305 1.00 0.00 H new ATOM 0 HG SER A 76 0.601 4.665 -5.835 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.546 3.466 -2.764 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.105 2.128 -2.605 1.00 0.00 C ATOM 1258 C LEU A 77 -1.404 1.132 -3.523 1.00 0.00 C ATOM 1259 O LEU A 77 -1.093 0.013 -3.118 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.606 2.143 -2.901 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.403 0.942 -2.390 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -3.957 -0.332 -3.092 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -4.251 0.803 -0.882 1.00 0.00 C ATOM 0 H LEU A 77 -2.188 4.146 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.947 1.815 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.032 3.048 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.743 2.212 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.457 1.107 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.535 -1.176 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.118 -0.232 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.898 -0.502 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.825 -0.057 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.199 0.661 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.620 1.705 -0.394 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.156 1.549 -4.761 1.00 0.00 N ATOM 1276 CA GLY A 78 -0.492 0.682 -5.716 1.00 0.00 C ATOM 1277 C GLY A 78 0.657 -0.090 -5.097 1.00 0.00 C ATOM 1278 O GLY A 78 0.802 -1.290 -5.327 1.00 0.00 O ATOM 0 H GLY A 78 -1.403 2.472 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.216 -0.020 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.118 1.281 -6.547 1.00 0.00 H new ATOM 1282 N ASP A 79 1.476 0.600 -4.312 1.00 0.00 N ATOM 1283 CA ASP A 79 2.618 -0.028 -3.658 1.00 0.00 C ATOM 1284 C ASP A 79 2.162 -1.128 -2.706 1.00 0.00 C ATOM 1285 O ASP A 79 2.510 -2.297 -2.879 1.00 0.00 O ATOM 1286 CB ASP A 79 3.435 1.017 -2.896 1.00 0.00 C ATOM 1287 CG ASP A 79 4.903 0.650 -2.805 1.00 0.00 C ATOM 1288 OD1 ASP A 79 5.409 -0.010 -3.737 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.547 1.022 -1.801 1.00 0.00 O ATOM 0 H ASP A 79 1.371 1.595 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 79 3.245 -0.477 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.335 1.983 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.029 1.130 -1.891 1.00 0.00 H new ATOM 1294 N LEU A 80 1.383 -0.747 -1.700 1.00 0.00 N ATOM 1295 CA LEU A 80 0.879 -1.702 -0.718 1.00 0.00 C ATOM 1296 C LEU A 80 0.556 -3.040 -1.376 1.00 0.00 C ATOM 1297 O LEU A 80 0.721 -4.097 -0.767 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.368 -1.145 -0.030 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.068 -2.084 0.954 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.238 -2.249 2.217 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.458 -1.564 1.290 1.00 0.00 C ATOM 0 H LEU A 80 1.086 0.216 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 80 1.657 -1.863 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.089 -0.236 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.085 -0.857 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.172 -3.061 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.752 -2.920 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.735 -2.668 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.101 -1.278 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.941 -2.244 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.377 -0.575 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.052 -1.500 0.379 1.00 0.00 H new ATOM 1313 N GLU A 81 0.096 -2.985 -2.622 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.248 -4.194 -3.362 1.00 0.00 C ATOM 1315 C GLU A 81 0.992 -5.044 -3.624 1.00 0.00 C ATOM 1316 O GLU A 81 1.054 -6.209 -3.231 1.00 0.00 O ATOM 1317 CB GLU A 81 -0.921 -3.832 -4.688 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.467 -5.034 -5.441 1.00 0.00 C ATOM 1319 CD GLU A 81 -1.564 -4.791 -6.934 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -2.204 -3.795 -7.333 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -1.001 -5.597 -7.704 1.00 0.00 O ATOM 0 H GLU A 81 -0.047 -2.118 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.943 -4.775 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.736 -3.135 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.201 -3.313 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.825 -5.895 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.454 -5.284 -5.052 1.00 0.00 H new ATOM 1328 N LYS A 82 1.977 -4.452 -4.290 1.00 0.00 N ATOM 1329 CA LYS A 82 3.217 -5.152 -4.605 1.00 0.00 C ATOM 1330 C LYS A 82 3.673 -6.008 -3.427 1.00 0.00 C ATOM 1331 O LYS A 82 3.932 -7.201 -3.579 1.00 0.00 O ATOM 1332 CB LYS A 82 4.312 -4.150 -4.976 1.00 0.00 C ATOM 1333 CG LYS A 82 4.146 -3.552 -6.362 1.00 0.00 C ATOM 1334 CD LYS A 82 5.437 -2.919 -6.855 1.00 0.00 C ATOM 1335 CE LYS A 82 5.274 -2.336 -8.250 1.00 0.00 C ATOM 1336 NZ LYS A 82 4.320 -1.193 -8.266 1.00 0.00 N ATOM 0 H LYS A 82 1.941 -3.488 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 82 3.029 -5.807 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.320 -3.345 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.281 -4.645 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.831 -4.329 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.356 -2.801 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.745 -2.134 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.230 -3.666 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.244 -2.004 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.922 -3.112 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.375 -0.707 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.353 -1.546 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.565 -0.526 -7.506 1.00 0.00 H new ATOM 1350 N ASP A 83 3.767 -5.390 -2.255 1.00 0.00 N ATOM 1351 CA ASP A 83 4.189 -6.096 -1.051 1.00 0.00 C ATOM 1352 C ASP A 83 3.222 -7.228 -0.718 1.00 0.00 C ATOM 1353 O ASP A 83 3.558 -8.405 -0.851 1.00 0.00 O ATOM 1354 CB ASP A 83 4.283 -5.126 0.128 1.00 0.00 C ATOM 1355 CG ASP A 83 5.614 -4.401 0.176 1.00 0.00 C ATOM 1356 OD1 ASP A 83 6.613 -5.021 0.599 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.657 -3.215 -0.211 1.00 0.00 O ATOM 0 H ASP A 83 3.557 -4.402 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 83 5.173 -6.526 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.477 -4.396 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.137 -5.674 1.059 1.00 0.00 H new ATOM 1362 N VAL A 84 2.020 -6.864 -0.282 1.00 0.00 N ATOM 1363 CA VAL A 84 1.004 -7.849 0.071 1.00 0.00 C ATOM 1364 C VAL A 84 1.030 -9.033 -0.889 1.00 0.00 C ATOM 1365 O VAL A 84 1.194 -10.179 -0.472 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.405 -7.228 0.065 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.461 -8.297 0.302 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.506 -6.126 1.109 1.00 0.00 C ATOM 0 H VAL A 84 1.726 -5.894 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 84 1.236 -8.196 1.078 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.584 -6.786 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.450 -7.839 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.402 -9.047 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.288 -8.771 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.508 -5.698 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.307 -6.541 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.225 -5.348 0.888 1.00 0.00 H new ATOM 1378 N MET A 85 0.867 -8.748 -2.176 1.00 0.00 N ATOM 1379 CA MET A 85 0.874 -9.790 -3.197 1.00 0.00 C ATOM 1380 C MET A 85 2.165 -10.601 -3.137 1.00 0.00 C ATOM 1381 O MET A 85 2.151 -11.821 -3.307 1.00 0.00 O ATOM 1382 CB MET A 85 0.709 -9.173 -4.587 1.00 0.00 C ATOM 1383 CG MET A 85 -0.603 -8.428 -4.770 1.00 0.00 C ATOM 1384 SD MET A 85 -2.042 -9.500 -4.588 1.00 0.00 S ATOM 1385 CE MET A 85 -2.499 -9.167 -2.888 1.00 0.00 C ATOM 0 H MET A 85 0.728 -7.804 -2.537 1.00 0.00 H new ATOM 0 HA MET A 85 0.036 -10.460 -3.003 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.536 -8.487 -4.771 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.777 -9.962 -5.336 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.662 -7.620 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.620 -7.968 -5.758 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.573 -9.304 -2.766 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.968 -9.853 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.234 -8.141 -2.634 1.00 0.00 H new ATOM 1395 N LEU A 86 3.277 -9.916 -2.895 1.00 0.00 N ATOM 1396 CA LEU A 86 4.577 -10.574 -2.814 1.00 0.00 C ATOM 1397 C LEU A 86 4.604 -11.587 -1.674 1.00 0.00 C ATOM 1398 O LEU A 86 4.812 -12.781 -1.896 1.00 0.00 O ATOM 1399 CB LEU A 86 5.684 -9.536 -2.615 1.00 0.00 C ATOM 1400 CG LEU A 86 7.114 -10.031 -2.831 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.433 -10.110 -4.316 1.00 0.00 C ATOM 1402 CD2 LEU A 86 8.106 -9.123 -2.119 1.00 0.00 C ATOM 0 H LEU A 86 3.305 -8.907 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 86 4.748 -11.104 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.502 -8.705 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.607 -9.141 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 86 7.199 -11.032 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.455 -10.464 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.743 -10.801 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.330 -9.121 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.119 -9.491 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.019 -8.110 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.892 -9.117 -1.050 1.00 0.00 H new ATOM 1414 N LEU A 87 4.391 -11.105 -0.455 1.00 0.00 N ATOM 1415 CA LEU A 87 4.388 -11.969 0.720 1.00 0.00 C ATOM 1416 C LEU A 87 3.757 -13.320 0.401 1.00 0.00 C ATOM 1417 O LEU A 87 4.258 -14.365 0.818 1.00 0.00 O ATOM 1418 CB LEU A 87 3.633 -11.299 1.869 1.00 0.00 C ATOM 1419 CG LEU A 87 3.350 -12.176 3.089 1.00 0.00 C ATOM 1420 CD1 LEU A 87 3.312 -11.334 4.355 1.00 0.00 C ATOM 1421 CD2 LEU A 87 2.043 -12.933 2.910 1.00 0.00 C ATOM 0 H LEU A 87 4.218 -10.120 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 87 5.422 -12.134 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.205 -10.431 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.683 -10.928 1.485 1.00 0.00 H new ATOM 0 HG LEU A 87 4.157 -12.902 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.109 -11.975 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.273 -10.839 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.526 -10.584 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.858 -13.552 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.225 -12.223 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.108 -13.567 2.026 1.00 0.00 H new ATOM 1433 N CYS A 88 2.656 -13.292 -0.342 1.00 0.00 N ATOM 1434 CA CYS A 88 1.956 -14.515 -0.719 1.00 0.00 C ATOM 1435 C CYS A 88 2.679 -15.226 -1.858 1.00 0.00 C ATOM 1436 O CYS A 88 2.813 -16.450 -1.854 1.00 0.00 O ATOM 1437 CB CYS A 88 0.518 -14.198 -1.130 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.590 -13.861 0.259 1.00 0.00 S ATOM 0 H CYS A 88 2.229 -12.436 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 88 1.941 -15.177 0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.524 -13.334 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.122 -15.037 -1.702 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.782 -13.602 -0.190 1.00 0.00 H new ATOM 1444 N HIS A 89 3.142 -14.451 -2.833 1.00 0.00 N ATOM 1445 CA HIS A 89 3.851 -15.007 -3.981 1.00 0.00 C ATOM 1446 C HIS A 89 5.042 -15.846 -3.529 1.00 0.00 C ATOM 1447 O HIS A 89 5.379 -16.850 -4.154 1.00 0.00 O ATOM 1448 CB HIS A 89 4.323 -13.886 -4.907 1.00 0.00 C ATOM 1449 CG HIS A 89 3.321 -13.514 -5.956 1.00 0.00 C ATOM 1450 ND1 HIS A 89 1.989 -13.289 -5.679 1.00 0.00 N ATOM 1451 CD2 HIS A 89 3.463 -13.325 -7.289 1.00 0.00 C ATOM 1452 CE1 HIS A 89 1.355 -12.980 -6.796 1.00 0.00 C ATOM 1453 NE2 HIS A 89 2.227 -12.995 -7.788 1.00 0.00 N ATOM 0 H HIS A 89 3.039 -13.436 -2.852 1.00 0.00 H new ATOM 0 HA HIS A 89 3.161 -15.652 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.554 -13.005 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.249 -14.193 -5.393 1.00 0.00 H new ATOM 0 HD1 HIS A 89 1.560 -13.351 -4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.378 -13.417 -7.855 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.303 -12.754 -6.883 1.00 0.00 H new ATOM 1462 N ASN A 90 5.676 -15.425 -2.439 1.00 0.00 N ATOM 1463 CA ASN A 90 6.832 -16.137 -1.905 1.00 0.00 C ATOM 1464 C ASN A 90 6.439 -17.534 -1.433 1.00 0.00 C ATOM 1465 O ASN A 90 7.148 -18.508 -1.687 1.00 0.00 O ATOM 1466 CB ASN A 90 7.450 -15.351 -0.747 1.00 0.00 C ATOM 1467 CG ASN A 90 8.258 -14.159 -1.224 1.00 0.00 C ATOM 1468 OD1 ASN A 90 9.033 -14.261 -2.174 1.00 0.00 O ATOM 1469 ND2 ASN A 90 8.079 -13.022 -0.563 1.00 0.00 N ATOM 0 H ASN A 90 5.409 -14.595 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 90 7.568 -16.235 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.658 -15.007 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.092 -16.012 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.595 -12.186 -0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.425 -12.984 0.219 1.00 0.00 H new ATOM 1476 N ALA A 91 5.305 -17.624 -0.746 1.00 0.00 N ATOM 1477 CA ALA A 91 4.817 -18.902 -0.242 1.00 0.00 C ATOM 1478 C ALA A 91 4.726 -19.935 -1.360 1.00 0.00 C ATOM 1479 O ALA A 91 5.339 -20.999 -1.284 1.00 0.00 O ATOM 1480 CB ALA A 91 3.461 -18.722 0.424 1.00 0.00 C ATOM 0 H ALA A 91 4.707 -16.827 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 91 5.528 -19.269 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.108 -19.684 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.554 -18.023 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.748 -18.330 -0.302 1.00 0.00 H new ATOM 1486 N GLN A 92 3.958 -19.614 -2.396 1.00 0.00 N ATOM 1487 CA GLN A 92 3.787 -20.516 -3.528 1.00 0.00 C ATOM 1488 C GLN A 92 5.137 -20.998 -4.049 1.00 0.00 C ATOM 1489 O GLN A 92 5.228 -22.037 -4.703 1.00 0.00 O ATOM 1490 CB GLN A 92 3.013 -19.821 -4.649 1.00 0.00 C ATOM 1491 CG GLN A 92 1.753 -19.116 -4.173 1.00 0.00 C ATOM 1492 CD GLN A 92 0.909 -18.592 -5.317 1.00 0.00 C ATOM 1493 OE1 GLN A 92 1.419 -17.952 -6.237 1.00 0.00 O ATOM 1494 NE2 GLN A 92 -0.390 -18.862 -5.267 1.00 0.00 N ATOM 0 H GLN A 92 3.445 -18.736 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 92 3.219 -21.382 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.665 -19.094 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.743 -20.559 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.159 -19.807 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.029 -18.287 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.770 -19.396 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.008 -18.536 -6.010 1.00 0.00 H new ATOM 1503 N THR A 93 6.186 -20.235 -3.755 1.00 0.00 N ATOM 1504 CA THR A 93 7.531 -20.583 -4.194 1.00 0.00 C ATOM 1505 C THR A 93 8.158 -21.624 -3.275 1.00 0.00 C ATOM 1506 O THR A 93 8.572 -22.694 -3.723 1.00 0.00 O ATOM 1507 CB THR A 93 8.444 -19.343 -4.245 1.00 0.00 C ATOM 1508 OG1 THR A 93 7.778 -18.272 -4.923 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.752 -19.662 -4.952 1.00 0.00 C ATOM 0 H THR A 93 6.129 -19.372 -3.214 1.00 0.00 H new ATOM 0 HA THR A 93 7.438 -20.998 -5.198 1.00 0.00 H new ATOM 0 HB THR A 93 8.667 -19.042 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.044 -17.938 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.380 -18.771 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.271 -20.457 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.545 -19.987 -5.972 1.00 0.00 H new ATOM 1517 N PHE A 94 8.225 -21.305 -1.986 1.00 0.00 N ATOM 1518 CA PHE A 94 8.803 -22.214 -1.003 1.00 0.00 C ATOM 1519 C PHE A 94 7.849 -23.367 -0.702 1.00 0.00 C ATOM 1520 O PHE A 94 8.217 -24.535 -0.813 1.00 0.00 O ATOM 1521 CB PHE A 94 9.133 -21.460 0.287 1.00 0.00 C ATOM 1522 CG PHE A 94 10.305 -22.032 1.032 1.00 0.00 C ATOM 1523 CD1 PHE A 94 10.129 -23.060 1.944 1.00 0.00 C ATOM 1524 CD2 PHE A 94 11.584 -21.541 0.820 1.00 0.00 C ATOM 1525 CE1 PHE A 94 11.206 -23.587 2.631 1.00 0.00 C ATOM 1526 CE2 PHE A 94 12.665 -22.065 1.504 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.476 -23.090 2.410 1.00 0.00 C ATOM 0 H PHE A 94 7.886 -20.424 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 94 9.722 -22.625 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.339 -20.417 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.259 -21.470 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 94 9.139 -23.454 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.738 -20.740 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 94 11.055 -24.387 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.656 -21.673 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.319 -23.502 2.945 1.00 0.00 H new ATOM 1537 N ASN A 95 6.622 -23.028 -0.320 1.00 0.00 N ATOM 1538 CA ASN A 95 5.616 -24.034 -0.001 1.00 0.00 C ATOM 1539 C ASN A 95 5.252 -24.850 -1.238 1.00 0.00 C ATOM 1540 O ASN A 95 5.443 -24.401 -2.369 1.00 0.00 O ATOM 1541 CB ASN A 95 4.363 -23.368 0.571 1.00 0.00 C ATOM 1542 CG ASN A 95 4.497 -23.057 2.049 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.171 -23.884 2.901 1.00 0.00 O ATOM 1544 ND2 ASN A 95 4.979 -21.859 2.360 1.00 0.00 N ATOM 0 H ASN A 95 6.301 -22.065 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 95 6.035 -24.707 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.164 -22.446 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.505 -24.022 0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.092 -21.593 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.236 -21.205 1.621 1.00 0.00 H new ATOM 1551 N LEU A 96 4.726 -26.049 -1.015 1.00 0.00 N ATOM 1552 CA LEU A 96 4.334 -26.928 -2.111 1.00 0.00 C ATOM 1553 C LEU A 96 2.933 -26.586 -2.609 1.00 0.00 C ATOM 1554 O LEU A 96 2.184 -25.875 -1.941 1.00 0.00 O ATOM 1555 CB LEU A 96 4.385 -28.390 -1.662 1.00 0.00 C ATOM 1556 CG LEU A 96 5.781 -28.985 -1.472 1.00 0.00 C ATOM 1557 CD1 LEU A 96 5.690 -30.371 -0.853 1.00 0.00 C ATOM 1558 CD2 LEU A 96 6.522 -29.039 -2.800 1.00 0.00 C ATOM 0 H LEU A 96 4.561 -26.435 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 96 5.037 -26.781 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.843 -28.479 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.851 -28.994 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 96 6.341 -28.342 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.693 -30.779 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.199 -30.304 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.113 -31.025 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.513 -29.465 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.965 -29.659 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.619 -28.031 -3.204 1.00 0.00 H new ATOM 1570 N GLU A 97 2.587 -27.100 -3.785 1.00 0.00 N ATOM 1571 CA GLU A 97 1.275 -26.850 -4.371 1.00 0.00 C ATOM 1572 C GLU A 97 0.173 -27.484 -3.528 1.00 0.00 C ATOM 1573 O GLU A 97 0.431 -28.366 -2.711 1.00 0.00 O ATOM 1574 CB GLU A 97 1.218 -27.396 -5.800 1.00 0.00 C ATOM 1575 CG GLU A 97 1.647 -26.389 -6.854 1.00 0.00 C ATOM 1576 CD GLU A 97 1.582 -26.953 -8.260 1.00 0.00 C ATOM 1577 OE1 GLU A 97 0.471 -27.010 -8.826 1.00 0.00 O ATOM 1578 OE2 GLU A 97 2.644 -27.337 -8.794 1.00 0.00 O ATOM 0 H GLU A 97 3.196 -27.691 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 97 1.115 -25.772 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.857 -28.276 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.201 -27.723 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.009 -25.508 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.665 -26.061 -6.645 1.00 0.00 H new ATOM 1585 N GLY A 98 -1.059 -27.026 -3.733 1.00 0.00 N ATOM 1586 CA GLY A 98 -2.182 -27.558 -2.985 1.00 0.00 C ATOM 1587 C GLY A 98 -1.808 -27.933 -1.565 1.00 0.00 C ATOM 1588 O GLY A 98 -2.370 -28.867 -0.993 1.00 0.00 O ATOM 0 H GLY A 98 -1.298 -26.296 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.983 -26.819 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.573 -28.436 -3.498 1.00 0.00 H new ATOM 1592 N SER A 99 -0.855 -27.203 -0.994 1.00 0.00 N ATOM 1593 CA SER A 99 -0.402 -27.467 0.367 1.00 0.00 C ATOM 1594 C SER A 99 -1.161 -26.603 1.370 1.00 0.00 C ATOM 1595 O SER A 99 -1.733 -25.574 1.010 1.00 0.00 O ATOM 1596 CB SER A 99 1.101 -27.206 0.486 1.00 0.00 C ATOM 1597 OG SER A 99 1.549 -27.405 1.816 1.00 0.00 O ATOM 0 H SER A 99 -0.382 -26.424 -1.453 1.00 0.00 H new ATOM 0 HA SER A 99 -0.601 -28.515 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.643 -27.870 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.322 -26.186 0.173 1.00 0.00 H new ATOM 0 HG SER A 99 2.513 -27.234 1.866 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.160 -27.029 2.628 1.00 0.00 N ATOM 1604 CA GLN A 100 -1.849 -26.295 3.683 1.00 0.00 C ATOM 1605 C GLN A 100 -1.632 -24.793 3.533 1.00 0.00 C ATOM 1606 O GLN A 100 -2.587 -24.030 3.388 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.362 -26.758 5.057 1.00 0.00 C ATOM 1608 CG GLN A 100 -1.925 -28.105 5.481 1.00 0.00 C ATOM 1609 CD GLN A 100 -1.807 -29.155 4.394 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -0.704 -29.523 3.988 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -2.945 -29.644 3.917 1.00 0.00 N ATOM 0 H GLN A 100 -0.690 -27.878 2.942 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.916 -26.500 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.274 -26.816 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.635 -26.009 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.400 -28.450 6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.974 -27.987 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.837 -29.310 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.928 -30.354 3.185 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.370 -24.377 3.568 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.028 -22.966 3.435 1.00 0.00 C ATOM 1622 C ILE A 101 -0.364 -22.448 2.041 1.00 0.00 C ATOM 1623 O ILE A 101 -0.644 -21.263 1.858 1.00 0.00 O ATOM 1624 CB ILE A 101 1.466 -22.720 3.716 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.795 -23.052 5.172 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.834 -21.278 3.399 1.00 0.00 C ATOM 1627 CD1 ILE A 101 3.265 -22.923 5.504 1.00 0.00 C ATOM 0 H ILE A 101 0.432 -24.996 3.687 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.622 -22.426 4.173 1.00 0.00 H new ATOM 0 HB ILE A 101 2.054 -23.374 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.224 -22.392 5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.470 -24.070 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.893 -21.120 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.632 -21.074 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.241 -20.606 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.424 -23.173 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.841 -23.604 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.591 -21.899 5.322 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.337 -23.344 1.061 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.638 -22.978 -0.318 1.00 0.00 C ATOM 1641 C TYR A 102 -2.060 -22.438 -0.441 1.00 0.00 C ATOM 1642 O TYR A 102 -2.264 -21.258 -0.723 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.459 -24.186 -1.240 1.00 0.00 C ATOM 1644 CG TYR A 102 -0.280 -23.817 -2.695 1.00 0.00 C ATOM 1645 CD1 TYR A 102 0.969 -23.474 -3.197 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -1.361 -23.811 -3.568 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.136 -23.135 -4.526 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -1.203 -23.474 -4.898 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.048 -23.137 -5.372 1.00 0.00 C ATOM 1650 OH TYR A 102 0.211 -22.801 -6.697 1.00 0.00 O ATOM 0 H TYR A 102 -0.110 -24.329 1.196 1.00 0.00 H new ATOM 0 HA TYR A 102 0.057 -22.194 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.408 -24.759 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.327 -24.838 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.824 -23.472 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.342 -24.074 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.114 -22.870 -4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.054 -23.474 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.653 -22.853 -7.156 1.00 0.00 H new ATOM 1660 N GLU A 103 -3.039 -23.311 -0.225 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.441 -22.923 -0.311 1.00 0.00 C ATOM 1662 C GLU A 103 -4.673 -21.571 0.358 1.00 0.00 C ATOM 1663 O GLU A 103 -5.512 -20.784 -0.081 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.329 -23.985 0.339 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.561 -25.204 -0.538 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.750 -26.030 -0.086 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.628 -26.738 0.935 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -7.804 -25.967 -0.754 1.00 0.00 O ATOM 0 H GLU A 103 -2.886 -24.292 0.011 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.703 -22.837 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.873 -24.304 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.292 -23.539 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.717 -24.882 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.667 -25.827 -0.531 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.925 -21.310 1.424 1.00 0.00 N ATOM 1676 CA ASP A 104 -4.047 -20.054 2.155 1.00 0.00 C ATOM 1677 C ASP A 104 -3.595 -18.878 1.295 1.00 0.00 C ATOM 1678 O ASP A 104 -4.256 -17.841 1.246 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.224 -20.106 3.443 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.782 -21.096 4.447 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.755 -21.802 4.107 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -3.246 -21.165 5.572 1.00 0.00 O ATOM 0 H ASP A 104 -3.228 -21.951 1.801 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.097 -19.912 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.196 -20.377 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.196 -19.114 3.893 1.00 0.00 H new ATOM 1687 N SER A 105 -2.463 -19.047 0.619 1.00 0.00 N ATOM 1688 CA SER A 105 -1.919 -17.998 -0.235 1.00 0.00 C ATOM 1689 C SER A 105 -2.940 -17.567 -1.284 1.00 0.00 C ATOM 1690 O SER A 105 -3.089 -16.379 -1.570 1.00 0.00 O ATOM 1691 CB SER A 105 -0.639 -18.481 -0.921 1.00 0.00 C ATOM 1692 OG SER A 105 -0.937 -19.339 -2.009 1.00 0.00 O ATOM 0 H SER A 105 -1.905 -19.900 0.646 1.00 0.00 H new ATOM 0 HA SER A 105 -1.684 -17.139 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.067 -17.624 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.012 -19.006 -0.200 1.00 0.00 H new ATOM 0 HG SER A 105 -1.125 -20.240 -1.673 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.640 -18.542 -1.854 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.647 -18.265 -2.870 1.00 0.00 C ATOM 1700 C ILE A 106 -5.858 -17.561 -2.266 1.00 0.00 C ATOM 1701 O ILE A 106 -6.490 -16.726 -2.913 1.00 0.00 O ATOM 1702 CB ILE A 106 -5.114 -19.557 -3.567 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -4.019 -20.086 -4.495 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -6.398 -19.306 -4.343 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -3.064 -21.044 -3.818 1.00 0.00 C ATOM 0 H ILE A 106 -3.528 -19.531 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.180 -17.612 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.314 -20.311 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.484 -20.588 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.454 -19.244 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.715 -20.228 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.177 -18.971 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.223 -18.539 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.315 -21.379 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.571 -20.540 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.617 -21.905 -3.443 1.00 0.00 H new ATOM 1717 N VAL A 107 -6.174 -17.902 -1.021 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.307 -17.300 -0.328 1.00 0.00 C ATOM 1719 C VAL A 107 -7.021 -15.848 0.035 1.00 0.00 C ATOM 1720 O VAL A 107 -7.706 -14.934 -0.427 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.659 -18.079 0.954 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.794 -17.394 1.699 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -8.020 -19.518 0.620 1.00 0.00 C ATOM 0 H VAL A 107 -5.662 -18.592 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.154 -17.340 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.784 -18.090 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -9.029 -17.958 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.492 -16.383 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.675 -17.350 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.266 -20.054 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.880 -19.531 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.173 -20.002 0.133 1.00 0.00 H new ATOM 1733 N LEU A 108 -6.004 -15.640 0.864 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.625 -14.297 1.290 1.00 0.00 C ATOM 1735 C LEU A 108 -5.799 -13.296 0.152 1.00 0.00 C ATOM 1736 O LEU A 108 -6.443 -12.261 0.318 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.175 -14.286 1.778 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.866 -15.174 2.983 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.410 -15.613 2.962 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.186 -14.445 4.280 1.00 0.00 C ATOM 0 H LEU A 108 -5.427 -16.385 1.255 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.280 -14.004 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.532 -14.592 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.905 -13.260 2.029 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.494 -16.063 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.208 -16.244 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.212 -16.174 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.765 -14.735 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.960 -15.093 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.585 -13.538 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.243 -14.181 4.298 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.222 -13.614 -1.002 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.315 -12.743 -2.167 1.00 0.00 C ATOM 1754 C GLN A 109 -6.759 -12.321 -2.418 1.00 0.00 C ATOM 1755 O GLN A 109 -7.060 -11.132 -2.516 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.755 -13.448 -3.404 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.259 -13.709 -3.330 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.773 -14.633 -4.429 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.503 -14.929 -5.376 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -1.533 -15.095 -4.310 1.00 0.00 N ATOM 0 H GLN A 109 -4.685 -14.468 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.724 -11.849 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.275 -14.397 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.967 -12.842 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.725 -12.761 -3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.018 -14.145 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.963 -14.824 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.151 -15.720 -5.020 1.00 0.00 H new ATOM 1769 N SER A 110 -7.647 -13.304 -2.522 1.00 0.00 N ATOM 1770 CA SER A 110 -9.060 -13.035 -2.766 1.00 0.00 C ATOM 1771 C SER A 110 -9.605 -12.033 -1.752 1.00 0.00 C ATOM 1772 O SER A 110 -10.495 -11.241 -2.062 1.00 0.00 O ATOM 1773 CB SER A 110 -9.866 -14.334 -2.701 1.00 0.00 C ATOM 1774 OG SER A 110 -11.257 -14.067 -2.633 1.00 0.00 O ATOM 0 H SER A 110 -7.414 -14.294 -2.441 1.00 0.00 H new ATOM 0 HA SER A 110 -9.157 -12.605 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.652 -14.943 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.560 -14.912 -1.829 1.00 0.00 H new ATOM 0 HG SER A 110 -11.751 -14.913 -2.594 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.064 -12.075 -0.539 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.494 -11.171 0.521 1.00 0.00 C ATOM 1782 C VAL A 111 -8.939 -9.767 0.305 1.00 0.00 C ATOM 1783 O VAL A 111 -9.577 -8.775 0.658 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.050 -11.679 1.906 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.738 -10.889 3.010 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.337 -13.166 2.045 1.00 0.00 C ATOM 0 H VAL A 111 -8.327 -12.725 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.583 -11.137 0.486 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.974 -11.530 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.412 -11.262 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.477 -9.835 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.818 -11.004 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.017 -13.508 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.406 -13.343 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.794 -13.715 1.276 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.748 -9.691 -0.278 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.106 -8.408 -0.541 1.00 0.00 C ATOM 1798 C PHE A 112 -7.906 -7.599 -1.559 1.00 0.00 C ATOM 1799 O PHE A 112 -8.195 -6.422 -1.344 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.680 -8.623 -1.051 1.00 0.00 C ATOM 1801 CG PHE A 112 -4.989 -7.351 -1.454 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.252 -6.626 -0.532 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -5.078 -6.881 -2.754 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -3.616 -5.455 -0.900 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.444 -5.711 -3.128 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.712 -4.997 -2.200 1.00 0.00 C ATOM 0 H PHE A 112 -7.207 -10.502 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.070 -7.849 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.095 -9.114 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.706 -9.299 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.173 -6.979 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.649 -7.435 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.045 -4.899 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.521 -5.356 -4.145 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.216 -4.083 -2.490 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.259 -8.239 -2.668 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.026 -7.581 -3.720 1.00 0.00 C ATOM 1818 C LYS A 113 -10.435 -7.249 -3.240 1.00 0.00 C ATOM 1819 O LYS A 113 -10.932 -6.145 -3.460 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.096 -8.473 -4.962 1.00 0.00 C ATOM 1821 CG LYS A 113 -7.764 -8.625 -5.677 1.00 0.00 C ATOM 1822 CD LYS A 113 -7.753 -9.847 -6.581 1.00 0.00 C ATOM 1823 CE LYS A 113 -6.751 -9.692 -7.714 1.00 0.00 C ATOM 1824 NZ LYS A 113 -7.250 -8.771 -8.773 1.00 0.00 N ATOM 0 H LYS A 113 -8.026 -9.213 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.520 -6.650 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.457 -9.459 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.827 -8.058 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.563 -7.732 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.963 -8.707 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.507 -10.732 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.749 -10.005 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.809 -9.313 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.542 -10.669 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.613 -8.809 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.206 -9.061 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.280 -7.800 -8.402 1.00 0.00 H new ATOM 1838 N SER A 114 -11.073 -8.212 -2.581 1.00 0.00 N ATOM 1839 CA SER A 114 -12.426 -8.022 -2.072 1.00 0.00 C ATOM 1840 C SER A 114 -12.481 -6.847 -1.100 1.00 0.00 C ATOM 1841 O SER A 114 -13.493 -6.154 -1.003 1.00 0.00 O ATOM 1842 CB SER A 114 -12.917 -9.295 -1.380 1.00 0.00 C ATOM 1843 OG SER A 114 -14.305 -9.224 -1.106 1.00 0.00 O ATOM 0 H SER A 114 -10.675 -9.131 -2.387 1.00 0.00 H new ATOM 0 HA SER A 114 -13.078 -7.802 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.712 -10.159 -2.013 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.367 -9.443 -0.451 1.00 0.00 H new ATOM 0 HG SER A 114 -14.594 -10.050 -0.665 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.384 -6.631 -0.381 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.305 -5.540 0.583 1.00 0.00 C ATOM 1851 C ALA A 115 -11.019 -4.213 -0.113 1.00 0.00 C ATOM 1852 O ALA A 115 -11.566 -3.176 0.261 1.00 0.00 O ATOM 1853 CB ALA A 115 -10.236 -5.833 1.625 1.00 0.00 C ATOM 0 H ALA A 115 -10.538 -7.197 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.270 -5.458 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.188 -5.010 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.484 -6.755 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.269 -5.944 1.133 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.158 -4.254 -1.124 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.799 -3.054 -1.870 1.00 0.00 C ATOM 1861 C ARG A 116 -11.027 -2.438 -2.534 1.00 0.00 C ATOM 1862 O ARG A 116 -11.319 -1.257 -2.345 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.744 -3.383 -2.929 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.414 -2.214 -3.842 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.381 -2.600 -4.890 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.985 -3.291 -6.026 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.282 -3.897 -6.976 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -5.957 -3.899 -6.926 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -7.905 -4.504 -7.978 1.00 0.00 N ATOM 0 H ARG A 116 -9.696 -5.105 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.386 -2.330 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.832 -3.713 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.097 -4.218 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.323 -1.868 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.037 -1.382 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.869 -1.704 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.626 -3.241 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 116 -9.003 -3.309 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.475 -3.434 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.420 -4.365 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.924 -4.505 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.365 -4.969 -8.707 1.00 0.00 H new ATOM 1883 N GLN A 117 -11.741 -3.246 -3.311 1.00 0.00 N ATOM 1884 CA GLN A 117 -12.936 -2.779 -4.004 1.00 0.00 C ATOM 1885 C GLN A 117 -13.953 -2.217 -3.016 1.00 0.00 C ATOM 1886 O GLN A 117 -14.516 -1.144 -3.232 1.00 0.00 O ATOM 1887 CB GLN A 117 -13.564 -3.919 -4.807 1.00 0.00 C ATOM 1888 CG GLN A 117 -14.017 -5.090 -3.949 1.00 0.00 C ATOM 1889 CD GLN A 117 -14.641 -6.205 -4.766 1.00 0.00 C ATOM 1890 OE1 GLN A 117 -15.804 -6.558 -4.570 1.00 0.00 O ATOM 1891 NE2 GLN A 117 -13.868 -6.766 -5.688 1.00 0.00 N ATOM 0 H GLN A 117 -11.513 -4.226 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 117 -12.641 -1.982 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.419 -3.533 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.842 -4.275 -5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.163 -5.483 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.738 -4.738 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.910 -6.442 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.233 -7.521 -6.268 1.00 0.00 H new ATOM 1900 N SER A 118 -14.184 -2.950 -1.931 1.00 0.00 N ATOM 1901 CA SER A 118 -15.137 -2.527 -0.911 1.00 0.00 C ATOM 1902 C SER A 118 -15.065 -1.018 -0.693 1.00 0.00 C ATOM 1903 O SER A 118 -14.097 -0.506 -0.133 1.00 0.00 O ATOM 1904 CB SER A 118 -14.865 -3.257 0.405 1.00 0.00 C ATOM 1905 OG SER A 118 -15.816 -2.899 1.393 1.00 0.00 O ATOM 0 H SER A 118 -13.724 -3.839 -1.736 1.00 0.00 H new ATOM 0 HA SER A 118 -16.139 -2.779 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 118 -14.895 -4.334 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 118 -13.862 -3.017 0.757 1.00 0.00 H new ATOM 0 HG SER A 118 -15.621 -3.380 2.224 1.00 0.00 H new ATOM 1911 N GLY A 119 -16.099 -0.312 -1.142 1.00 0.00 N ATOM 1912 CA GLY A 119 -16.134 1.131 -0.987 1.00 0.00 C ATOM 1913 C GLY A 119 -16.678 1.832 -2.216 1.00 0.00 C ATOM 1914 O GLY A 119 -17.170 1.200 -3.151 1.00 0.00 O ATOM 0 H GLY A 119 -16.912 -0.713 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.750 1.386 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.128 1.496 -0.780 1.00 0.00 H new ATOM 1918 N PRO A 120 -16.593 3.171 -2.224 1.00 0.00 N ATOM 1919 CA PRO A 120 -17.077 3.988 -3.341 1.00 0.00 C ATOM 1920 C PRO A 120 -16.218 3.828 -4.590 1.00 0.00 C ATOM 1921 O PRO A 120 -15.092 3.335 -4.523 1.00 0.00 O ATOM 1922 CB PRO A 120 -16.978 5.418 -2.803 1.00 0.00 C ATOM 1923 CG PRO A 120 -15.916 5.358 -1.760 1.00 0.00 C ATOM 1924 CD PRO A 120 -16.018 3.990 -1.143 1.00 0.00 C ATOM 0 HA PRO A 120 -18.083 3.703 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.717 6.121 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -17.927 5.749 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -14.930 5.516 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -16.061 6.136 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -15.043 3.616 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -16.656 3.994 -0.259 1.00 0.00 H new ATOM 1932 N SER A 121 -16.756 4.250 -5.730 1.00 0.00 N ATOM 1933 CA SER A 121 -16.040 4.150 -6.997 1.00 0.00 C ATOM 1934 C SER A 121 -14.558 4.463 -6.808 1.00 0.00 C ATOM 1935 O SER A 121 -14.186 5.270 -5.957 1.00 0.00 O ATOM 1936 CB SER A 121 -16.647 5.104 -8.027 1.00 0.00 C ATOM 1937 OG SER A 121 -15.808 5.230 -9.162 1.00 0.00 O ATOM 0 H SER A 121 -17.685 4.664 -5.802 1.00 0.00 H new ATOM 0 HA SER A 121 -16.135 3.127 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 121 -17.627 4.737 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 121 -16.801 6.083 -7.574 1.00 0.00 H new ATOM 0 HG SER A 121 -16.219 5.844 -9.806 1.00 0.00 H new ATOM 1943 N SER A 122 -13.717 3.816 -7.610 1.00 0.00 N ATOM 1944 CA SER A 122 -12.276 4.022 -7.530 1.00 0.00 C ATOM 1945 C SER A 122 -11.684 4.264 -8.915 1.00 0.00 C ATOM 1946 O SER A 122 -10.651 3.697 -9.269 1.00 0.00 O ATOM 1947 CB SER A 122 -11.602 2.811 -6.880 1.00 0.00 C ATOM 1948 OG SER A 122 -11.506 1.730 -7.791 1.00 0.00 O ATOM 0 H SER A 122 -14.009 3.146 -8.321 1.00 0.00 H new ATOM 0 HA SER A 122 -12.093 4.904 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.606 3.088 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 122 -12.171 2.502 -6.003 1.00 0.00 H new ATOM 0 HG SER A 122 -10.939 1.989 -8.547 1.00 0.00 H new ATOM 1954 N GLY A 123 -12.348 5.111 -9.695 1.00 0.00 N ATOM 1955 CA GLY A 123 -11.874 5.415 -11.033 1.00 0.00 C ATOM 1956 C GLY A 123 -11.302 4.199 -11.735 1.00 0.00 C ATOM 1957 O GLY A 123 -12.044 3.324 -12.179 1.00 0.00 O ATOM 0 H GLY A 123 -13.206 5.592 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.696 5.818 -11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.111 6.191 -10.977 1.00 0.00 H new TER 1961 GLY A 123