USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 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 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 8 MET CE :methyl 169:sc= -0.354 (180deg=-0.747) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.192 (180deg=-0.94) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.196 (180deg=0.176) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 12 THR OG1 : rot -90:sc= -0.0133 USER MOD Single : A 16 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0704 (180deg=-0.47) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= -2.24! (180deg=-2.33!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 34 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.16) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -18:sc= 0.821 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.58 X(o=-0.58,f=-0.32) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -73:sc= 0.0663 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 100:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-0.56) USER MOD Single : A 70 GLN : amide:sc= -3.16 K(o=-3.2,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.899 K(o=-0.9,f=-2.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.149) USER MOD Single : A 86 LYS NZ :NH3+ 138:sc= -2! (180deg=-4.44!) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0547 (180deg=-0.331) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.722 -1.595 14.674 1.00 0.00 N ATOM 2 CA MET A 1 -8.282 -0.212 14.362 1.00 0.00 C ATOM 3 C MET A 1 -8.056 -0.037 12.866 1.00 0.00 C ATOM 4 O MET A 1 -7.803 -1.005 12.148 1.00 0.00 O ATOM 5 CB MET A 1 -6.995 0.119 15.119 1.00 0.00 C ATOM 6 CG MET A 1 -7.166 0.166 16.628 1.00 0.00 C ATOM 7 SD MET A 1 -5.635 0.585 17.485 1.00 0.00 S ATOM 8 CE MET A 1 -5.274 2.187 16.770 1.00 0.00 C ATOM 0 H1 MET A 1 -8.967 -1.662 15.682 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.555 -1.832 14.099 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.952 -2.261 14.460 1.00 0.00 H new ATOM 0 HA MET A 1 -9.071 0.471 14.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.237 -0.625 14.872 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.620 1.083 14.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.932 0.899 16.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.522 -0.802 16.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.603 2.737 17.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.798 2.053 15.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.201 2.747 16.646 1.00 0.00 H new ATOM 20 N GLU A 2 -8.146 1.206 12.403 1.00 0.00 N ATOM 21 CA GLU A 2 -7.949 1.514 10.992 1.00 0.00 C ATOM 22 C GLU A 2 -6.533 1.158 10.548 1.00 0.00 C ATOM 23 O GLU A 2 -6.304 0.821 9.388 1.00 0.00 O ATOM 24 CB GLU A 2 -8.222 2.999 10.725 1.00 0.00 C ATOM 25 CG GLU A 2 -7.220 3.941 11.379 1.00 0.00 C ATOM 26 CD GLU A 2 -7.272 3.900 12.894 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.111 4.617 13.479 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.474 3.152 13.496 1.00 0.00 O ATOM 0 H GLU A 2 -8.354 2.017 12.986 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.653 0.914 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.217 3.171 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.222 3.244 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.215 3.680 11.048 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.413 4.959 11.041 1.00 0.00 H new ATOM 35 N SER A 3 -5.591 1.233 11.485 1.00 0.00 N ATOM 36 CA SER A 3 -4.191 0.928 11.199 1.00 0.00 C ATOM 37 C SER A 3 -4.036 -0.466 10.597 1.00 0.00 C ATOM 38 O SER A 3 -3.137 -0.704 9.792 1.00 0.00 O ATOM 39 CB SER A 3 -3.356 1.039 12.476 1.00 0.00 C ATOM 40 OG SER A 3 -3.800 0.120 13.459 1.00 0.00 O ATOM 0 H SER A 3 -5.772 1.503 12.452 1.00 0.00 H new ATOM 0 HA SER A 3 -3.834 1.654 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.307 0.851 12.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.419 2.054 12.868 1.00 0.00 H new ATOM 0 HG SER A 3 -3.249 0.210 14.264 1.00 0.00 H new ATOM 46 N GLU A 4 -4.915 -1.381 10.990 1.00 0.00 N ATOM 47 CA GLU A 4 -4.871 -2.749 10.483 1.00 0.00 C ATOM 48 C GLU A 4 -5.180 -2.787 8.989 1.00 0.00 C ATOM 49 O GLU A 4 -4.666 -3.634 8.260 1.00 0.00 O ATOM 50 CB GLU A 4 -5.868 -3.630 11.239 1.00 0.00 C ATOM 51 CG GLU A 4 -5.618 -3.687 12.736 1.00 0.00 C ATOM 52 CD GLU A 4 -6.565 -4.634 13.448 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.731 -4.248 13.675 1.00 0.00 O ATOM 54 OE2 GLU A 4 -6.140 -5.760 13.781 1.00 0.00 O ATOM 0 H GLU A 4 -5.666 -1.202 11.657 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.863 -3.133 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.877 -3.257 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.826 -4.641 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.590 -4.002 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.724 -2.687 13.157 1.00 0.00 H new ATOM 61 N TYR A 5 -6.023 -1.861 8.541 1.00 0.00 N ATOM 62 CA TYR A 5 -6.408 -1.787 7.135 1.00 0.00 C ATOM 63 C TYR A 5 -5.307 -1.147 6.293 1.00 0.00 C ATOM 64 O TYR A 5 -5.207 -1.399 5.093 1.00 0.00 O ATOM 65 CB TYR A 5 -7.712 -0.998 6.990 1.00 0.00 C ATOM 66 CG TYR A 5 -8.116 -0.740 5.555 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.490 -1.784 4.718 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.121 0.549 5.039 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.857 -1.549 3.406 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.487 0.791 3.730 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.854 -0.260 2.918 1.00 0.00 C ATOM 72 OH TYR A 5 -9.218 -0.023 1.613 1.00 0.00 O ATOM 0 H TYR A 5 -6.453 -1.150 9.133 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.561 -2.803 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.513 -1.543 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.607 -0.043 7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.494 -2.795 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.834 1.376 5.672 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.144 -2.371 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.486 1.800 3.344 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.163 0.938 1.427 1.00 0.00 H new ATOM 82 N ARG A 6 -4.481 -0.322 6.927 1.00 0.00 N ATOM 83 CA ARG A 6 -3.392 0.351 6.227 1.00 0.00 C ATOM 84 C ARG A 6 -2.186 -0.572 6.084 1.00 0.00 C ATOM 85 O ARG A 6 -1.689 -0.802 4.982 1.00 0.00 O ATOM 86 CB ARG A 6 -2.975 1.621 6.978 1.00 0.00 C ATOM 87 CG ARG A 6 -4.112 2.305 7.723 1.00 0.00 C ATOM 88 CD ARG A 6 -5.209 2.771 6.780 1.00 0.00 C ATOM 89 NE ARG A 6 -6.311 3.405 7.498 1.00 0.00 N ATOM 90 CZ ARG A 6 -7.437 3.807 6.915 1.00 0.00 C ATOM 91 NH1 ARG A 6 -7.609 3.640 5.610 1.00 0.00 N ATOM 92 NH2 ARG A 6 -8.392 4.375 7.638 1.00 0.00 N ATOM 0 H ARG A 6 -4.544 -0.103 7.921 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.751 0.621 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.189 1.368 7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.545 2.326 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.532 1.616 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.721 3.159 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.793 3.475 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.587 1.920 6.214 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.212 3.548 8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.877 3.202 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.474 3.949 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.263 4.504 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.255 4.683 7.191 1.00 0.00 H new ATOM 106 N GLU A 7 -1.730 -1.102 7.213 1.00 0.00 N ATOM 107 CA GLU A 7 -0.572 -1.989 7.248 1.00 0.00 C ATOM 108 C GLU A 7 -0.793 -3.265 6.437 1.00 0.00 C ATOM 109 O GLU A 7 0.012 -3.605 5.570 1.00 0.00 O ATOM 110 CB GLU A 7 -0.258 -2.357 8.700 1.00 0.00 C ATOM 111 CG GLU A 7 0.914 -3.313 8.850 1.00 0.00 C ATOM 112 CD GLU A 7 1.159 -3.710 10.293 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.929 -3.006 10.981 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.582 -4.725 10.735 1.00 0.00 O ATOM 0 H GLU A 7 -2.150 -0.930 8.127 1.00 0.00 H new ATOM 0 HA GLU A 7 0.265 -1.455 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.045 -1.445 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.142 -2.807 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.727 -4.208 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.813 -2.846 8.447 1.00 0.00 H new ATOM 121 N MET A 8 -1.885 -3.965 6.722 1.00 0.00 N ATOM 122 CA MET A 8 -2.198 -5.220 6.043 1.00 0.00 C ATOM 123 C MET A 8 -2.332 -5.044 4.530 1.00 0.00 C ATOM 124 O MET A 8 -1.737 -5.794 3.759 1.00 0.00 O ATOM 125 CB MET A 8 -3.486 -5.818 6.608 1.00 0.00 C ATOM 126 CG MET A 8 -3.844 -7.168 6.010 1.00 0.00 C ATOM 127 SD MET A 8 -5.330 -7.881 6.738 1.00 0.00 S ATOM 128 CE MET A 8 -6.560 -6.671 6.257 1.00 0.00 C ATOM 0 H MET A 8 -2.572 -3.684 7.422 1.00 0.00 H new ATOM 0 HA MET A 8 -1.364 -5.899 6.223 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.384 -5.924 7.688 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.307 -5.123 6.432 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.988 -7.058 4.935 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.010 -7.855 6.151 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.556 -7.064 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.408 -5.753 6.824 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.465 -6.459 5.192 1.00 0.00 H new ATOM 138 N LEU A 9 -3.110 -4.052 4.115 1.00 0.00 N ATOM 139 CA LEU A 9 -3.334 -3.797 2.693 1.00 0.00 C ATOM 140 C LEU A 9 -2.022 -3.588 1.940 1.00 0.00 C ATOM 141 O LEU A 9 -1.918 -3.919 0.757 1.00 0.00 O ATOM 142 CB LEU A 9 -4.245 -2.582 2.507 1.00 0.00 C ATOM 143 CG LEU A 9 -4.639 -2.284 1.057 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.075 -1.787 0.986 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.689 -1.266 0.444 1.00 0.00 C ATOM 0 H LEU A 9 -3.597 -3.410 4.740 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.820 -4.679 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.153 -2.735 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.745 -1.705 2.919 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.567 -3.208 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.338 -1.580 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.744 -2.550 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.174 -0.874 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.984 -1.067 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.728 -0.340 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.673 -1.661 0.460 1.00 0.00 H new ATOM 157 N LEU A 10 -1.028 -3.036 2.622 1.00 0.00 N ATOM 158 CA LEU A 10 0.266 -2.771 2.001 1.00 0.00 C ATOM 159 C LEU A 10 1.144 -4.020 1.947 1.00 0.00 C ATOM 160 O LEU A 10 1.531 -4.465 0.869 1.00 0.00 O ATOM 161 CB LEU A 10 0.999 -1.669 2.764 1.00 0.00 C ATOM 162 CG LEU A 10 0.304 -0.308 2.754 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.957 0.623 3.760 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.340 0.300 1.359 1.00 0.00 C ATOM 0 H LEU A 10 -1.091 -2.763 3.603 1.00 0.00 H new ATOM 0 HA LEU A 10 0.073 -2.451 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.128 -1.987 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.996 -1.555 2.339 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.739 -0.448 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.452 1.589 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.881 0.192 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.008 0.758 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.160 1.269 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.376 0.430 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.170 -0.363 0.660 1.00 0.00 H new ATOM 176 N LEU A 11 1.455 -4.574 3.114 1.00 0.00 N ATOM 177 CA LEU A 11 2.313 -5.755 3.202 1.00 0.00 C ATOM 178 C LEU A 11 1.816 -6.899 2.320 1.00 0.00 C ATOM 179 O LEU A 11 2.603 -7.747 1.897 1.00 0.00 O ATOM 180 CB LEU A 11 2.433 -6.218 4.658 1.00 0.00 C ATOM 181 CG LEU A 11 1.120 -6.626 5.336 1.00 0.00 C ATOM 182 CD1 LEU A 11 0.772 -8.074 5.023 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.217 -6.417 6.838 1.00 0.00 C ATOM 0 H LEU A 11 1.126 -4.225 4.014 1.00 0.00 H new ATOM 0 HA LEU A 11 3.298 -5.468 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.118 -7.065 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.886 -5.415 5.239 1.00 0.00 H new ATOM 0 HG LEU A 11 0.323 -5.995 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.164 -8.338 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.662 -8.197 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.568 -8.726 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.278 -6.710 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.028 -7.025 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.414 -5.366 7.047 1.00 0.00 H new ATOM 195 N THR A 12 0.515 -6.927 2.043 1.00 0.00 N ATOM 196 CA THR A 12 -0.061 -7.979 1.208 1.00 0.00 C ATOM 197 C THR A 12 0.501 -7.930 -0.211 1.00 0.00 C ATOM 198 O THR A 12 0.252 -8.826 -1.018 1.00 0.00 O ATOM 199 CB THR A 12 -1.597 -7.884 1.150 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.000 -6.519 0.986 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.222 -8.460 2.412 1.00 0.00 C ATOM 0 H THR A 12 -0.157 -6.238 2.382 1.00 0.00 H new ATOM 0 HA THR A 12 0.213 -8.928 1.669 1.00 0.00 H new ATOM 0 HB THR A 12 -1.944 -8.466 0.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.120 -6.105 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.307 -8.382 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.939 -9.508 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.868 -7.903 3.280 1.00 0.00 H new ATOM 209 N GLY A 13 1.257 -6.878 -0.505 1.00 0.00 N ATOM 210 CA GLY A 13 1.850 -6.731 -1.822 1.00 0.00 C ATOM 211 C GLY A 13 3.361 -6.602 -1.759 1.00 0.00 C ATOM 212 O GLY A 13 4.071 -7.182 -2.577 1.00 0.00 O ATOM 0 H GLY A 13 1.470 -6.123 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.586 -7.592 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.432 -5.851 -2.311 1.00 0.00 H new ATOM 216 N LEU A 14 3.851 -5.836 -0.784 1.00 0.00 N ATOM 217 CA LEU A 14 5.289 -5.638 -0.616 1.00 0.00 C ATOM 218 C LEU A 14 5.998 -6.973 -0.417 1.00 0.00 C ATOM 219 O LEU A 14 7.059 -7.218 -0.992 1.00 0.00 O ATOM 220 CB LEU A 14 5.580 -4.724 0.583 1.00 0.00 C ATOM 221 CG LEU A 14 5.407 -3.218 0.343 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.205 -2.763 -0.869 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.937 -2.864 0.177 1.00 0.00 C ATOM 0 H LEU A 14 3.275 -5.344 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 14 5.664 -5.164 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.926 -5.018 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.604 -4.904 0.910 1.00 0.00 H new ATOM 0 HG LEU A 14 5.791 -2.694 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.064 -1.692 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.263 -2.971 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.861 -3.299 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.838 -1.792 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.526 -3.405 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.392 -3.141 1.079 1.00 0.00 H new ATOM 235 N ASP A 15 5.400 -7.832 0.403 1.00 0.00 N ATOM 236 CA ASP A 15 5.968 -9.144 0.695 1.00 0.00 C ATOM 237 C ASP A 15 5.652 -10.147 -0.416 1.00 0.00 C ATOM 238 O ASP A 15 5.880 -11.346 -0.262 1.00 0.00 O ATOM 239 CB ASP A 15 5.431 -9.657 2.035 1.00 0.00 C ATOM 240 CG ASP A 15 6.158 -10.897 2.518 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.292 -10.761 3.024 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.593 -12.004 2.391 1.00 0.00 O ATOM 0 H ASP A 15 4.518 -7.642 0.879 1.00 0.00 H new ATOM 0 HA ASP A 15 7.051 -9.039 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.524 -8.871 2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.368 -9.879 1.936 1.00 0.00 H new ATOM 247 N HIS A 16 5.132 -9.652 -1.536 1.00 0.00 N ATOM 248 CA HIS A 16 4.790 -10.518 -2.662 1.00 0.00 C ATOM 249 C HIS A 16 5.297 -9.946 -3.983 1.00 0.00 C ATOM 250 O HIS A 16 4.825 -10.328 -5.054 1.00 0.00 O ATOM 251 CB HIS A 16 3.275 -10.724 -2.732 1.00 0.00 C ATOM 252 CG HIS A 16 2.720 -11.487 -1.570 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.113 -10.896 -0.484 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.685 -12.823 -1.338 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.738 -11.869 0.356 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.061 -13.058 -0.115 1.00 0.00 N ATOM 0 H HIS A 16 4.939 -8.662 -1.688 1.00 0.00 H new ATOM 0 HA HIS A 16 5.279 -11.479 -2.500 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.786 -9.751 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.031 -11.253 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.078 -13.583 -1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.236 -11.702 1.297 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.889 -13.962 0.325 1.00 0.00 H new ATOM 264 N ILE A 17 6.264 -9.038 -3.904 1.00 0.00 N ATOM 265 CA ILE A 17 6.831 -8.424 -5.100 1.00 0.00 C ATOM 266 C ILE A 17 8.354 -8.463 -5.075 1.00 0.00 C ATOM 267 O ILE A 17 8.962 -8.695 -4.029 1.00 0.00 O ATOM 268 CB ILE A 17 6.370 -6.964 -5.263 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.736 -6.146 -4.021 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.873 -6.909 -5.524 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.515 -4.657 -4.188 1.00 0.00 C ATOM 0 H ILE A 17 6.671 -8.712 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 17 6.469 -9.006 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 17 6.883 -6.529 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.145 -6.500 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.783 -6.324 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.561 -5.871 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.642 -7.459 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.341 -7.358 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.795 -4.142 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.127 -4.289 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.464 -4.467 -4.404 1.00 0.00 H new ATOM 283 N THR A 18 8.965 -8.235 -6.234 1.00 0.00 N ATOM 284 CA THR A 18 10.417 -8.246 -6.350 1.00 0.00 C ATOM 285 C THR A 18 10.993 -6.846 -6.151 1.00 0.00 C ATOM 286 O THR A 18 10.308 -5.847 -6.369 1.00 0.00 O ATOM 287 CB THR A 18 10.863 -8.792 -7.719 1.00 0.00 C ATOM 288 OG1 THR A 18 10.169 -10.013 -8.005 1.00 0.00 O ATOM 289 CG2 THR A 18 12.364 -9.046 -7.741 1.00 0.00 C ATOM 0 H THR A 18 8.475 -8.040 -7.107 1.00 0.00 H new ATOM 0 HA THR A 18 10.797 -8.903 -5.567 1.00 0.00 H new ATOM 0 HB THR A 18 10.625 -8.046 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.455 -10.355 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.654 -9.431 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.894 -8.113 -7.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.621 -9.776 -6.973 1.00 0.00 H new ATOM 297 N GLU A 19 12.255 -6.786 -5.732 1.00 0.00 N ATOM 298 CA GLU A 19 12.929 -5.512 -5.495 1.00 0.00 C ATOM 299 C GLU A 19 12.951 -4.649 -6.753 1.00 0.00 C ATOM 300 O GLU A 19 12.918 -3.421 -6.672 1.00 0.00 O ATOM 301 CB GLU A 19 14.358 -5.756 -5.007 1.00 0.00 C ATOM 302 CG GLU A 19 15.188 -6.605 -5.956 1.00 0.00 C ATOM 303 CD GLU A 19 16.600 -6.830 -5.452 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.802 -7.768 -4.653 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.503 -6.068 -5.855 1.00 0.00 O ATOM 0 H GLU A 19 12.832 -7.607 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 19 12.369 -4.977 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.853 -4.796 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.322 -6.244 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.699 -7.569 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.227 -6.120 -6.932 1.00 0.00 H new ATOM 312 N GLU A 20 13.011 -5.296 -7.913 1.00 0.00 N ATOM 313 CA GLU A 20 13.039 -4.580 -9.184 1.00 0.00 C ATOM 314 C GLU A 20 11.759 -3.774 -9.383 1.00 0.00 C ATOM 315 O GLU A 20 11.799 -2.625 -9.824 1.00 0.00 O ATOM 316 CB GLU A 20 13.233 -5.560 -10.343 1.00 0.00 C ATOM 317 CG GLU A 20 12.152 -6.624 -10.429 1.00 0.00 C ATOM 318 CD GLU A 20 12.411 -7.631 -11.531 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.113 -8.631 -11.269 1.00 0.00 O ATOM 320 OE2 GLU A 20 11.914 -7.421 -12.656 1.00 0.00 O ATOM 0 H GLU A 20 13.041 -6.312 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 20 13.880 -3.887 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.257 -5.002 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.202 -6.047 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.084 -7.145 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.188 -6.144 -10.600 1.00 0.00 H new ATOM 327 N GLU A 21 10.623 -4.385 -9.057 1.00 0.00 N ATOM 328 CA GLU A 21 9.330 -3.724 -9.193 1.00 0.00 C ATOM 329 C GLU A 21 9.103 -2.747 -8.043 1.00 0.00 C ATOM 330 O GLU A 21 8.394 -1.751 -8.190 1.00 0.00 O ATOM 331 CB GLU A 21 8.205 -4.759 -9.233 1.00 0.00 C ATOM 332 CG GLU A 21 8.321 -5.733 -10.393 1.00 0.00 C ATOM 333 CD GLU A 21 7.221 -6.775 -10.395 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.134 -6.492 -10.940 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.447 -7.876 -9.851 1.00 0.00 O ATOM 0 H GLU A 21 10.573 -5.338 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 21 9.328 -3.165 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.203 -5.318 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.248 -4.242 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.292 -5.179 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.289 -6.233 -10.347 1.00 0.00 H new ATOM 342 N LEU A 22 9.711 -3.048 -6.900 1.00 0.00 N ATOM 343 CA LEU A 22 9.586 -2.210 -5.713 1.00 0.00 C ATOM 344 C LEU A 22 9.970 -0.765 -6.015 1.00 0.00 C ATOM 345 O LEU A 22 9.292 0.171 -5.591 1.00 0.00 O ATOM 346 CB LEU A 22 10.470 -2.760 -4.592 1.00 0.00 C ATOM 347 CG LEU A 22 10.390 -2.002 -3.267 1.00 0.00 C ATOM 348 CD1 LEU A 22 9.000 -2.127 -2.667 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.442 -2.514 -2.296 1.00 0.00 C ATOM 0 H LEU A 22 10.299 -3.872 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 22 8.544 -2.225 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.198 -3.800 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.505 -2.756 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 22 10.587 -0.947 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.960 -1.582 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.267 -1.711 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.774 -3.178 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.370 -1.963 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.277 -3.575 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.434 -2.372 -2.726 1.00 0.00 H new ATOM 361 N LYS A 23 11.066 -0.593 -6.749 1.00 0.00 N ATOM 362 CA LYS A 23 11.551 0.736 -7.109 1.00 0.00 C ATOM 363 C LYS A 23 10.517 1.498 -7.936 1.00 0.00 C ATOM 364 O LYS A 23 10.432 2.724 -7.860 1.00 0.00 O ATOM 365 CB LYS A 23 12.860 0.622 -7.892 1.00 0.00 C ATOM 366 CG LYS A 23 13.985 -0.039 -7.112 1.00 0.00 C ATOM 367 CD LYS A 23 15.183 -0.343 -8.000 1.00 0.00 C ATOM 368 CE LYS A 23 15.893 0.929 -8.443 1.00 0.00 C ATOM 369 NZ LYS A 23 16.382 1.725 -7.284 1.00 0.00 N ATOM 0 H LYS A 23 11.636 -1.359 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 23 11.726 1.291 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.679 0.053 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.178 1.619 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.294 0.613 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.622 -0.963 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.883 -0.981 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.854 -0.900 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.734 0.670 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.212 1.536 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.117 2.388 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.591 2.258 -6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.781 1.086 -6.567 1.00 0.00 H new ATOM 383 N ARG A 24 9.734 0.766 -8.721 1.00 0.00 N ATOM 384 CA ARG A 24 8.714 1.376 -9.572 1.00 0.00 C ATOM 385 C ARG A 24 7.531 1.885 -8.751 1.00 0.00 C ATOM 386 O ARG A 24 7.034 2.987 -8.982 1.00 0.00 O ATOM 387 CB ARG A 24 8.227 0.370 -10.616 1.00 0.00 C ATOM 388 CG ARG A 24 9.335 -0.158 -11.514 1.00 0.00 C ATOM 389 CD ARG A 24 8.800 -1.158 -12.528 1.00 0.00 C ATOM 390 NE ARG A 24 9.857 -1.677 -13.393 1.00 0.00 N ATOM 391 CZ ARG A 24 9.669 -2.632 -14.300 1.00 0.00 C ATOM 392 NH1 ARG A 24 8.468 -3.170 -14.465 1.00 0.00 N ATOM 393 NH2 ARG A 24 10.684 -3.049 -15.045 1.00 0.00 N ATOM 0 H ARG A 24 9.785 -0.251 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 24 9.169 2.229 -10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.752 -0.469 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.463 0.841 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.809 0.673 -12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.104 -0.632 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.321 -1.985 -12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.033 -0.681 -13.138 1.00 0.00 H new ATOM 0 HE ARG A 24 10.793 -1.284 -13.296 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.684 -2.852 -13.895 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.328 -3.902 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.609 -2.637 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.539 -3.781 -15.740 1.00 0.00 H new ATOM 407 N PHE A 25 7.084 1.077 -7.797 1.00 0.00 N ATOM 408 CA PHE A 25 5.952 1.440 -6.949 1.00 0.00 C ATOM 409 C PHE A 25 6.279 2.641 -6.062 1.00 0.00 C ATOM 410 O PHE A 25 5.521 3.609 -6.010 1.00 0.00 O ATOM 411 CB PHE A 25 5.543 0.248 -6.081 1.00 0.00 C ATOM 412 CG PHE A 25 4.405 0.543 -5.144 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.123 0.741 -5.630 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.620 0.620 -3.777 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.075 1.012 -4.770 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.576 0.891 -2.913 1.00 0.00 C ATOM 417 CZ PHE A 25 2.302 1.087 -3.409 1.00 0.00 C ATOM 0 H PHE A 25 7.488 0.164 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 25 5.123 1.718 -7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.262 -0.582 -6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.405 -0.079 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.940 0.683 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.614 0.467 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.080 1.165 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.756 0.950 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.485 1.298 -2.735 1.00 0.00 H new ATOM 427 N LYS A 26 7.410 2.570 -5.368 1.00 0.00 N ATOM 428 CA LYS A 26 7.834 3.644 -4.475 1.00 0.00 C ATOM 429 C LYS A 26 8.030 4.958 -5.225 1.00 0.00 C ATOM 430 O LYS A 26 7.657 6.024 -4.735 1.00 0.00 O ATOM 431 CB LYS A 26 9.135 3.257 -3.765 1.00 0.00 C ATOM 432 CG LYS A 26 8.933 2.665 -2.377 1.00 0.00 C ATOM 433 CD LYS A 26 7.966 1.492 -2.395 1.00 0.00 C ATOM 434 CE LYS A 26 7.926 0.783 -1.051 1.00 0.00 C ATOM 435 NZ LYS A 26 7.772 1.742 0.079 1.00 0.00 N ATOM 0 H LYS A 26 8.052 1.778 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 26 7.043 3.790 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.672 2.536 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.768 4.140 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.893 2.337 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.556 3.436 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.967 1.846 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.262 0.786 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.099 0.073 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.842 0.208 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.698 1.216 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.599 2.372 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.911 2.309 -0.061 1.00 0.00 H new ATOM 449 N TYR A 27 8.613 4.878 -6.416 1.00 0.00 N ATOM 450 CA TYR A 27 8.873 6.065 -7.223 1.00 0.00 C ATOM 451 C TYR A 27 7.587 6.649 -7.805 1.00 0.00 C ATOM 452 O TYR A 27 7.428 7.868 -7.872 1.00 0.00 O ATOM 453 CB TYR A 27 9.843 5.729 -8.356 1.00 0.00 C ATOM 454 CG TYR A 27 10.296 6.937 -9.144 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.407 7.671 -8.748 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.613 7.344 -10.283 1.00 0.00 C ATOM 457 CE1 TYR A 27 11.825 8.776 -9.464 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.024 8.448 -11.006 1.00 0.00 C ATOM 459 CZ TYR A 27 11.130 9.160 -10.593 1.00 0.00 C ATOM 460 OH TYR A 27 11.546 10.259 -11.310 1.00 0.00 O ATOM 0 H TYR A 27 8.915 4.003 -6.844 1.00 0.00 H new ATOM 0 HA TYR A 27 9.317 6.815 -6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.717 5.230 -7.938 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.365 5.022 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.953 7.373 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.746 6.788 -10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.691 9.336 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.482 8.751 -11.889 1.00 0.00 H new ATOM 0 HH TYR A 27 10.950 10.394 -12.076 1.00 0.00 H new ATOM 470 N PHE A 28 6.673 5.779 -8.221 1.00 0.00 N ATOM 471 CA PHE A 28 5.415 6.222 -8.818 1.00 0.00 C ATOM 472 C PHE A 28 4.584 7.046 -7.838 1.00 0.00 C ATOM 473 O PHE A 28 4.222 8.187 -8.129 1.00 0.00 O ATOM 474 CB PHE A 28 4.604 5.016 -9.299 1.00 0.00 C ATOM 475 CG PHE A 28 3.814 5.287 -10.547 1.00 0.00 C ATOM 476 CD1 PHE A 28 2.627 6.000 -10.493 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.263 4.830 -11.774 1.00 0.00 C ATOM 478 CE1 PHE A 28 1.902 6.250 -11.644 1.00 0.00 C ATOM 479 CE2 PHE A 28 3.543 5.076 -12.927 1.00 0.00 C ATOM 480 CZ PHE A 28 2.360 5.787 -12.862 1.00 0.00 C ATOM 0 H PHE A 28 6.777 4.766 -8.157 1.00 0.00 H new ATOM 0 HA PHE A 28 5.661 6.858 -9.668 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.281 4.181 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.922 4.707 -8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.265 6.364 -9.543 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.187 4.274 -11.831 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.978 6.807 -11.590 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.904 4.713 -13.878 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.795 5.980 -13.762 1.00 0.00 H new ATOM 490 N ALA A 29 4.286 6.470 -6.677 1.00 0.00 N ATOM 491 CA ALA A 29 3.490 7.161 -5.669 1.00 0.00 C ATOM 492 C ALA A 29 4.285 8.280 -5.009 1.00 0.00 C ATOM 493 O ALA A 29 3.832 9.423 -4.941 1.00 0.00 O ATOM 494 CB ALA A 29 2.999 6.178 -4.615 1.00 0.00 C ATOM 0 H ALA A 29 4.582 5.531 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 29 2.630 7.605 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.407 6.709 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.384 5.413 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.854 5.707 -4.130 1.00 0.00 H new ATOM 500 N LEU A 30 5.473 7.942 -4.522 1.00 0.00 N ATOM 501 CA LEU A 30 6.333 8.913 -3.860 1.00 0.00 C ATOM 502 C LEU A 30 7.386 9.458 -4.822 1.00 0.00 C ATOM 503 O LEU A 30 8.471 8.892 -4.953 1.00 0.00 O ATOM 504 CB LEU A 30 7.004 8.262 -2.651 1.00 0.00 C ATOM 505 CG LEU A 30 6.043 7.553 -1.694 1.00 0.00 C ATOM 506 CD1 LEU A 30 6.794 6.575 -0.808 1.00 0.00 C ATOM 507 CD2 LEU A 30 5.290 8.566 -0.848 1.00 0.00 C ATOM 0 H LEU A 30 5.863 7.001 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 30 5.721 9.750 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.741 7.541 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.548 9.028 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 30 5.320 6.993 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.093 6.081 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.289 5.828 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.540 7.113 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.611 8.044 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.000 9.153 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.718 9.229 -1.497 1.00 0.00 H new ATOM 519 N THR A 31 7.055 10.554 -5.498 1.00 0.00 N ATOM 520 CA THR A 31 7.975 11.173 -6.445 1.00 0.00 C ATOM 521 C THR A 31 8.831 12.242 -5.773 1.00 0.00 C ATOM 522 O THR A 31 10.055 12.248 -5.907 1.00 0.00 O ATOM 523 CB THR A 31 7.221 11.811 -7.628 1.00 0.00 C ATOM 524 OG1 THR A 31 6.355 12.849 -7.157 1.00 0.00 O ATOM 525 CG2 THR A 31 6.407 10.768 -8.378 1.00 0.00 C ATOM 0 H THR A 31 6.158 11.031 -5.408 1.00 0.00 H new ATOM 0 HA THR A 31 8.620 10.377 -6.817 1.00 0.00 H new ATOM 0 HB THR A 31 7.957 12.235 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.882 13.250 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.884 11.243 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.072 9.995 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.681 10.318 -7.701 1.00 0.00 H new ATOM 533 N GLU A 32 8.175 13.145 -5.050 1.00 0.00 N ATOM 534 CA GLU A 32 8.866 14.231 -4.364 1.00 0.00 C ATOM 535 C GLU A 32 9.147 13.890 -2.902 1.00 0.00 C ATOM 536 O GLU A 32 9.838 14.638 -2.209 1.00 0.00 O ATOM 537 CB GLU A 32 8.036 15.516 -4.444 1.00 0.00 C ATOM 538 CG GLU A 32 7.763 15.979 -5.867 1.00 0.00 C ATOM 539 CD GLU A 32 9.031 16.339 -6.618 1.00 0.00 C ATOM 540 OE1 GLU A 32 9.630 15.434 -7.237 1.00 0.00 O ATOM 541 OE2 GLU A 32 9.424 17.523 -6.587 1.00 0.00 O ATOM 0 H GLU A 32 7.163 13.145 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 32 9.823 14.379 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.086 15.357 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.557 16.309 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.237 15.191 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.102 16.845 -5.843 1.00 0.00 H new ATOM 548 N PHE A 33 8.614 12.765 -2.434 1.00 0.00 N ATOM 549 CA PHE A 33 8.811 12.359 -1.046 1.00 0.00 C ATOM 550 C PHE A 33 10.127 11.606 -0.863 1.00 0.00 C ATOM 551 O PHE A 33 10.688 11.590 0.234 1.00 0.00 O ATOM 552 CB PHE A 33 7.644 11.488 -0.576 1.00 0.00 C ATOM 553 CG PHE A 33 6.318 12.194 -0.602 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.013 13.154 0.350 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.376 11.897 -1.574 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.796 13.806 0.332 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.155 12.546 -1.597 1.00 0.00 C ATOM 558 CZ PHE A 33 3.866 13.501 -0.642 1.00 0.00 C ATOM 0 H PHE A 33 8.048 12.124 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 33 8.852 13.265 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.586 10.601 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.844 11.145 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.736 13.395 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.598 11.150 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.572 14.553 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.429 12.307 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.913 14.009 -0.657 1.00 0.00 H new ATOM 568 N GLN A 34 10.618 10.997 -1.941 1.00 0.00 N ATOM 569 CA GLN A 34 11.876 10.248 -1.900 1.00 0.00 C ATOM 570 C GLN A 34 11.976 9.408 -0.627 1.00 0.00 C ATOM 571 O GLN A 34 12.795 9.686 0.249 1.00 0.00 O ATOM 572 CB GLN A 34 13.067 11.207 -1.996 1.00 0.00 C ATOM 573 CG GLN A 34 14.410 10.510 -2.155 1.00 0.00 C ATOM 574 CD GLN A 34 14.483 9.659 -3.410 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.848 10.144 -4.481 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.144 8.381 -3.281 1.00 0.00 N ATOM 0 H GLN A 34 10.165 11.007 -2.855 1.00 0.00 H new ATOM 0 HA GLN A 34 11.895 9.571 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.914 11.877 -2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.095 11.827 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.202 11.258 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.594 9.882 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.847 8.021 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.181 7.760 -4.089 1.00 0.00 H new ATOM 585 N ILE A 35 11.130 8.386 -0.525 1.00 0.00 N ATOM 586 CA ILE A 35 11.123 7.517 0.646 1.00 0.00 C ATOM 587 C ILE A 35 12.471 6.820 0.823 1.00 0.00 C ATOM 588 O ILE A 35 13.155 6.511 -0.153 1.00 0.00 O ATOM 589 CB ILE A 35 9.995 6.467 0.556 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.689 5.893 1.941 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.364 5.356 -0.418 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.324 5.242 2.038 1.00 0.00 C ATOM 0 H ILE A 35 10.443 8.141 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 35 10.940 8.148 1.516 1.00 0.00 H new ATOM 0 HB ILE A 35 9.098 6.959 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.452 5.158 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.755 6.692 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.554 4.629 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.528 5.780 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.275 4.863 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.175 4.857 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.553 5.979 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.261 4.421 1.324 1.00 0.00 H new ATOM 604 N ALA A 36 12.847 6.582 2.076 1.00 0.00 N ATOM 605 CA ALA A 36 14.116 5.934 2.389 1.00 0.00 C ATOM 606 C ALA A 36 14.196 4.535 1.786 1.00 0.00 C ATOM 607 O ALA A 36 13.341 3.687 2.038 1.00 0.00 O ATOM 608 CB ALA A 36 14.316 5.870 3.894 1.00 0.00 C ATOM 0 H ALA A 36 12.289 6.829 2.893 1.00 0.00 H new ATOM 0 HA ALA A 36 14.913 6.532 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.267 5.384 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.321 6.880 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.504 5.300 4.345 1.00 0.00 H new ATOM 614 N ARG A 37 15.228 4.307 0.982 1.00 0.00 N ATOM 615 CA ARG A 37 15.433 3.012 0.344 1.00 0.00 C ATOM 616 C ARG A 37 15.768 1.940 1.380 1.00 0.00 C ATOM 617 O ARG A 37 15.460 0.763 1.193 1.00 0.00 O ATOM 618 CB ARG A 37 16.561 3.103 -0.687 1.00 0.00 C ATOM 619 CG ARG A 37 16.886 1.775 -1.350 1.00 0.00 C ATOM 620 CD ARG A 37 18.129 1.874 -2.215 1.00 0.00 C ATOM 621 NE ARG A 37 18.503 0.582 -2.782 1.00 0.00 N ATOM 622 CZ ARG A 37 19.493 0.418 -3.654 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.198 1.463 -4.067 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.775 -0.792 -4.118 1.00 0.00 N ATOM 0 H ARG A 37 15.938 5.004 0.756 1.00 0.00 H new ATOM 0 HA ARG A 37 14.507 2.733 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.283 3.825 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.458 3.486 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.033 1.012 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.041 1.456 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.954 2.587 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.955 2.262 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 37 17.975 -0.241 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.981 2.396 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.957 1.334 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.232 -1.597 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.535 -0.917 -4.787 1.00 0.00 H new ATOM 638 N SER A 38 16.405 2.357 2.468 1.00 0.00 N ATOM 639 CA SER A 38 16.795 1.434 3.531 1.00 0.00 C ATOM 640 C SER A 38 15.582 0.931 4.307 1.00 0.00 C ATOM 641 O SER A 38 15.534 -0.229 4.713 1.00 0.00 O ATOM 642 CB SER A 38 17.777 2.114 4.487 1.00 0.00 C ATOM 643 OG SER A 38 18.955 2.516 3.809 1.00 0.00 O ATOM 0 H SER A 38 16.663 3.329 2.639 1.00 0.00 H new ATOM 0 HA SER A 38 17.278 0.576 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.302 2.983 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.035 1.430 5.296 1.00 0.00 H new ATOM 0 HG SER A 38 19.565 2.949 4.442 1.00 0.00 H new ATOM 649 N THR A 39 14.605 1.808 4.513 1.00 0.00 N ATOM 650 CA THR A 39 13.399 1.446 5.247 1.00 0.00 C ATOM 651 C THR A 39 12.574 0.410 4.493 1.00 0.00 C ATOM 652 O THR A 39 11.727 -0.262 5.079 1.00 0.00 O ATOM 653 CB THR A 39 12.523 2.677 5.531 1.00 0.00 C ATOM 654 OG1 THR A 39 12.161 3.318 4.303 1.00 0.00 O ATOM 655 CG2 THR A 39 13.253 3.662 6.429 1.00 0.00 C ATOM 0 H THR A 39 14.625 2.773 4.182 1.00 0.00 H new ATOM 0 HA THR A 39 13.729 1.017 6.193 1.00 0.00 H new ATOM 0 HB THR A 39 11.620 2.343 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.763 3.021 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.615 4.525 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.498 3.179 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.171 3.989 5.940 1.00 0.00 H new ATOM 663 N LEU A 40 12.831 0.284 3.192 1.00 0.00 N ATOM 664 CA LEU A 40 12.109 -0.668 2.351 1.00 0.00 C ATOM 665 C LEU A 40 12.134 -2.074 2.948 1.00 0.00 C ATOM 666 O LEU A 40 11.307 -2.919 2.602 1.00 0.00 O ATOM 667 CB LEU A 40 12.708 -0.689 0.943 1.00 0.00 C ATOM 668 CG LEU A 40 12.643 0.639 0.186 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.324 0.514 -1.168 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.200 1.092 0.017 1.00 0.00 C ATOM 0 H LEU A 40 13.536 0.831 2.697 1.00 0.00 H new ATOM 0 HA LEU A 40 11.070 -0.343 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.751 -0.997 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.190 -1.448 0.357 1.00 0.00 H new ATOM 0 HG LEU A 40 13.171 1.392 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.268 1.468 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.369 0.239 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.823 -0.254 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.177 2.038 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.646 0.340 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.743 1.223 0.998 1.00 0.00 H new ATOM 682 N ASP A 41 13.088 -2.320 3.843 1.00 0.00 N ATOM 683 CA ASP A 41 13.217 -3.623 4.489 1.00 0.00 C ATOM 684 C ASP A 41 11.943 -3.986 5.252 1.00 0.00 C ATOM 685 O ASP A 41 11.289 -4.983 4.948 1.00 0.00 O ATOM 686 CB ASP A 41 14.420 -3.626 5.434 1.00 0.00 C ATOM 687 CG ASP A 41 15.735 -3.778 4.695 1.00 0.00 C ATOM 688 OD1 ASP A 41 16.216 -2.776 4.124 1.00 0.00 O ATOM 689 OD2 ASP A 41 16.285 -4.899 4.685 1.00 0.00 O ATOM 0 H ASP A 41 13.783 -1.634 4.137 1.00 0.00 H new ATOM 0 HA ASP A 41 13.373 -4.373 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.432 -2.698 6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.313 -4.440 6.151 1.00 0.00 H new ATOM 694 N VAL A 42 11.600 -3.170 6.245 1.00 0.00 N ATOM 695 CA VAL A 42 10.404 -3.397 7.055 1.00 0.00 C ATOM 696 C VAL A 42 9.307 -2.402 6.696 1.00 0.00 C ATOM 697 O VAL A 42 8.325 -2.254 7.423 1.00 0.00 O ATOM 698 CB VAL A 42 10.715 -3.267 8.557 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.651 -4.375 9.010 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.310 -1.900 8.858 1.00 0.00 C ATOM 0 H VAL A 42 12.135 -2.343 6.510 1.00 0.00 H new ATOM 0 HA VAL A 42 10.063 -4.411 6.844 1.00 0.00 H new ATOM 0 HB VAL A 42 9.782 -3.366 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.858 -4.264 10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.183 -5.343 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.585 -4.314 8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.525 -1.823 9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.233 -1.772 8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.600 -1.123 8.574 1.00 0.00 H new ATOM 710 N ALA A 43 9.485 -1.728 5.567 1.00 0.00 N ATOM 711 CA ALA A 43 8.532 -0.727 5.105 1.00 0.00 C ATOM 712 C ALA A 43 7.121 -1.277 4.971 1.00 0.00 C ATOM 713 O ALA A 43 6.152 -0.570 5.212 1.00 0.00 O ATOM 714 CB ALA A 43 8.988 -0.150 3.774 1.00 0.00 C ATOM 0 H ALA A 43 10.287 -1.858 4.950 1.00 0.00 H new ATOM 0 HA ALA A 43 8.502 0.057 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.270 0.597 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.966 0.315 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.055 -0.949 3.035 1.00 0.00 H new ATOM 720 N ASP A 44 6.998 -2.550 4.655 1.00 0.00 N ATOM 721 CA ASP A 44 5.679 -3.123 4.441 1.00 0.00 C ATOM 722 C ASP A 44 4.756 -2.940 5.646 1.00 0.00 C ATOM 723 O ASP A 44 3.653 -2.411 5.499 1.00 0.00 O ATOM 724 CB ASP A 44 5.809 -4.612 4.110 1.00 0.00 C ATOM 725 CG ASP A 44 6.514 -5.391 5.203 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.763 -5.389 5.221 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.818 -6.004 6.040 1.00 0.00 O ATOM 0 H ASP A 44 7.777 -3.199 4.542 1.00 0.00 H new ATOM 0 HA ASP A 44 5.227 -2.589 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.816 -5.033 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.358 -4.726 3.175 1.00 0.00 H new ATOM 732 N ARG A 45 5.183 -3.367 6.829 1.00 0.00 N ATOM 733 CA ARG A 45 4.328 -3.238 8.006 1.00 0.00 C ATOM 734 C ARG A 45 4.334 -1.852 8.676 1.00 0.00 C ATOM 735 O ARG A 45 3.307 -1.175 8.728 1.00 0.00 O ATOM 736 CB ARG A 45 4.687 -4.315 9.038 1.00 0.00 C ATOM 737 CG ARG A 45 6.171 -4.402 9.362 1.00 0.00 C ATOM 738 CD ARG A 45 6.486 -5.636 10.192 1.00 0.00 C ATOM 739 NE ARG A 45 7.910 -5.740 10.499 1.00 0.00 N ATOM 740 CZ ARG A 45 8.492 -6.852 10.938 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.776 -7.952 11.125 1.00 0.00 N ATOM 742 NH2 ARG A 45 9.795 -6.864 11.191 1.00 0.00 N ATOM 0 H ARG A 45 6.093 -3.796 6.999 1.00 0.00 H new ATOM 0 HA ARG A 45 3.313 -3.374 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.137 -4.117 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.351 -5.283 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.746 -4.428 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.480 -3.508 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.916 -5.603 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.165 -6.527 9.653 1.00 0.00 H new ATOM 0 HE ARG A 45 8.491 -4.912 10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.774 -7.948 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.227 -8.803 11.462 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.350 -6.020 11.049 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.241 -7.717 11.528 1.00 0.00 H new ATOM 756 N THR A 46 5.498 -1.440 9.183 1.00 0.00 N ATOM 757 CA THR A 46 5.626 -0.182 9.934 1.00 0.00 C ATOM 758 C THR A 46 5.821 1.110 9.128 1.00 0.00 C ATOM 759 O THR A 46 5.033 2.047 9.249 1.00 0.00 O ATOM 760 CB THR A 46 6.780 -0.286 10.949 1.00 0.00 C ATOM 761 OG1 THR A 46 6.619 -1.459 11.756 1.00 0.00 O ATOM 762 CG2 THR A 46 6.831 0.944 11.845 1.00 0.00 C ATOM 0 H THR A 46 6.371 -1.959 9.088 1.00 0.00 H new ATOM 0 HA THR A 46 4.647 -0.081 10.402 1.00 0.00 H new ATOM 0 HB THR A 46 7.715 -0.350 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.358 -1.519 12.397 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.654 0.845 12.552 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.983 1.834 11.234 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.892 1.035 12.392 1.00 0.00 H new ATOM 770 N GLU A 47 6.870 1.152 8.310 1.00 0.00 N ATOM 771 CA GLU A 47 7.240 2.379 7.592 1.00 0.00 C ATOM 772 C GLU A 47 6.284 2.825 6.481 1.00 0.00 C ATOM 773 O GLU A 47 5.753 3.930 6.545 1.00 0.00 O ATOM 774 CB GLU A 47 8.655 2.227 7.037 1.00 0.00 C ATOM 775 CG GLU A 47 9.697 3.006 7.825 1.00 0.00 C ATOM 776 CD GLU A 47 9.732 2.618 9.290 1.00 0.00 C ATOM 777 OE1 GLU A 47 10.408 1.622 9.624 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.083 3.309 10.103 1.00 0.00 O ATOM 0 H GLU A 47 7.480 0.356 8.125 1.00 0.00 H new ATOM 0 HA GLU A 47 7.178 3.175 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.926 1.171 7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.669 2.562 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.680 2.838 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.488 4.072 7.741 1.00 0.00 H new ATOM 785 N LEU A 48 6.066 1.995 5.469 1.00 0.00 N ATOM 786 CA LEU A 48 5.194 2.378 4.353 1.00 0.00 C ATOM 787 C LEU A 48 3.818 2.835 4.831 1.00 0.00 C ATOM 788 O LEU A 48 3.252 3.778 4.282 1.00 0.00 O ATOM 789 CB LEU A 48 5.041 1.232 3.348 1.00 0.00 C ATOM 790 CG LEU A 48 5.234 1.623 1.883 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.061 0.411 0.981 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.264 2.727 1.485 1.00 0.00 C ATOM 0 H LEU A 48 6.473 1.063 5.392 1.00 0.00 H new ATOM 0 HA LEU A 48 5.677 3.220 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.761 0.452 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.048 0.798 3.464 1.00 0.00 H new ATOM 0 HG LEU A 48 6.249 2.002 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.202 0.708 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.798 -0.347 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.059 0.002 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.420 2.989 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.240 2.379 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.436 3.605 2.108 1.00 0.00 H new ATOM 804 N ALA A 49 3.286 2.174 5.852 1.00 0.00 N ATOM 805 CA ALA A 49 1.969 2.519 6.375 1.00 0.00 C ATOM 806 C ALA A 49 1.940 3.929 6.959 1.00 0.00 C ATOM 807 O ALA A 49 1.125 4.759 6.557 1.00 0.00 O ATOM 808 CB ALA A 49 1.543 1.508 7.429 1.00 0.00 C ATOM 0 H ALA A 49 3.744 1.399 6.333 1.00 0.00 H new ATOM 0 HA ALA A 49 1.267 2.493 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.558 1.775 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.501 0.514 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.264 1.509 8.247 1.00 0.00 H new ATOM 814 N ASP A 50 2.839 4.196 7.898 1.00 0.00 N ATOM 815 CA ASP A 50 2.910 5.500 8.550 1.00 0.00 C ATOM 816 C ASP A 50 3.361 6.602 7.591 1.00 0.00 C ATOM 817 O ASP A 50 2.927 7.748 7.701 1.00 0.00 O ATOM 818 CB ASP A 50 3.862 5.435 9.746 1.00 0.00 C ATOM 819 CG ASP A 50 3.923 6.743 10.511 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.774 7.592 10.168 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.121 6.918 11.452 1.00 0.00 O ATOM 0 H ASP A 50 3.533 3.524 8.227 1.00 0.00 H new ATOM 0 HA ASP A 50 1.904 5.749 8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.542 4.639 10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.861 5.175 9.397 1.00 0.00 H new ATOM 826 N HIS A 51 4.233 6.248 6.655 1.00 0.00 N ATOM 827 CA HIS A 51 4.773 7.215 5.702 1.00 0.00 C ATOM 828 C HIS A 51 3.704 7.788 4.770 1.00 0.00 C ATOM 829 O HIS A 51 3.510 9.002 4.721 1.00 0.00 O ATOM 830 CB HIS A 51 5.888 6.575 4.875 1.00 0.00 C ATOM 831 CG HIS A 51 6.663 7.562 4.057 1.00 0.00 C ATOM 832 ND1 HIS A 51 7.870 8.100 4.446 1.00 0.00 N ATOM 833 CD2 HIS A 51 6.383 8.108 2.847 1.00 0.00 C ATOM 834 CE1 HIS A 51 8.274 8.940 3.483 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.408 8.981 2.490 1.00 0.00 N ATOM 0 H HIS A 51 4.583 5.298 6.534 1.00 0.00 H new ATOM 0 HA HIS A 51 5.171 8.044 6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.572 6.052 5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.455 5.826 4.212 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.368 7.895 5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.505 7.899 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.191 9.510 3.516 1.00 0.00 H new ATOM 843 N LEU A 52 3.015 6.920 4.031 1.00 0.00 N ATOM 844 CA LEU A 52 1.993 7.376 3.090 1.00 0.00 C ATOM 845 C LEU A 52 0.900 8.186 3.784 1.00 0.00 C ATOM 846 O LEU A 52 0.331 9.104 3.191 1.00 0.00 O ATOM 847 CB LEU A 52 1.379 6.199 2.319 1.00 0.00 C ATOM 848 CG LEU A 52 0.799 5.065 3.169 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.627 5.377 3.597 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.843 3.759 2.392 1.00 0.00 C ATOM 0 H LEU A 52 3.143 5.909 4.064 1.00 0.00 H new ATOM 0 HA LEU A 52 2.492 8.032 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.588 6.585 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.144 5.781 1.665 1.00 0.00 H new ATOM 0 HG LEU A 52 1.406 4.966 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.014 4.555 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.638 6.294 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.252 5.505 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.429 2.958 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.256 3.859 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.876 3.523 2.136 1.00 0.00 H new ATOM 862 N ILE A 53 0.603 7.845 5.035 1.00 0.00 N ATOM 863 CA ILE A 53 -0.427 8.553 5.792 1.00 0.00 C ATOM 864 C ILE A 53 -0.102 10.042 5.895 1.00 0.00 C ATOM 865 O ILE A 53 -0.997 10.886 5.887 1.00 0.00 O ATOM 866 CB ILE A 53 -0.596 7.958 7.208 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.191 6.551 7.118 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.476 8.853 8.071 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.174 5.797 8.430 1.00 0.00 C ATOM 0 H ILE A 53 1.058 7.087 5.544 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.365 8.431 5.251 1.00 0.00 H new ATOM 0 HB ILE A 53 0.386 7.897 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.219 6.623 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.637 5.979 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.580 8.413 9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.019 9.839 8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.460 8.948 7.611 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.611 4.809 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.146 5.692 8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.753 6.346 9.173 1.00 0.00 H new ATOM 881 N GLN A 54 1.184 10.356 5.989 1.00 0.00 N ATOM 882 CA GLN A 54 1.625 11.742 6.088 1.00 0.00 C ATOM 883 C GLN A 54 1.526 12.445 4.736 1.00 0.00 C ATOM 884 O GLN A 54 1.356 13.662 4.669 1.00 0.00 O ATOM 885 CB GLN A 54 3.061 11.804 6.608 1.00 0.00 C ATOM 886 CG GLN A 54 3.572 13.219 6.821 1.00 0.00 C ATOM 887 CD GLN A 54 4.974 13.253 7.399 1.00 0.00 C ATOM 888 OE1 GLN A 54 5.155 13.260 8.617 1.00 0.00 O ATOM 889 NE2 GLN A 54 5.975 13.275 6.527 1.00 0.00 N ATOM 0 H GLN A 54 1.939 9.671 5.999 1.00 0.00 H new ATOM 0 HA GLN A 54 0.970 12.257 6.790 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.121 11.260 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.716 11.293 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.562 13.752 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.894 13.749 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.780 13.268 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.939 13.299 6.858 1.00 0.00 H new ATOM 898 N SER A 55 1.633 11.669 3.659 1.00 0.00 N ATOM 899 CA SER A 55 1.567 12.223 2.310 1.00 0.00 C ATOM 900 C SER A 55 0.159 12.709 1.968 1.00 0.00 C ATOM 901 O SER A 55 -0.035 13.880 1.637 1.00 0.00 O ATOM 902 CB SER A 55 2.016 11.177 1.287 1.00 0.00 C ATOM 903 OG SER A 55 3.357 10.781 1.517 1.00 0.00 O ATOM 0 H SER A 55 1.765 10.658 3.695 1.00 0.00 H new ATOM 0 HA SER A 55 2.238 13.081 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.362 10.307 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.921 11.584 0.280 1.00 0.00 H new ATOM 0 HG SER A 55 3.962 11.503 1.246 1.00 0.00 H new ATOM 909 N ALA A 56 -0.820 11.811 2.047 1.00 0.00 N ATOM 910 CA ALA A 56 -2.203 12.165 1.734 1.00 0.00 C ATOM 911 C ALA A 56 -3.143 11.861 2.896 1.00 0.00 C ATOM 912 O ALA A 56 -4.105 12.592 3.132 1.00 0.00 O ATOM 913 CB ALA A 56 -2.660 11.429 0.484 1.00 0.00 C ATOM 0 H ALA A 56 -0.683 10.839 2.323 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.237 13.240 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.692 11.700 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.021 11.705 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.595 10.354 0.651 1.00 0.00 H new ATOM 919 N GLY A 57 -2.864 10.781 3.618 1.00 0.00 N ATOM 920 CA GLY A 57 -3.704 10.405 4.740 1.00 0.00 C ATOM 921 C GLY A 57 -3.853 8.902 4.867 1.00 0.00 C ATOM 922 O GLY A 57 -3.272 8.148 4.086 1.00 0.00 O ATOM 0 H GLY A 57 -2.073 10.160 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.278 10.805 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.689 10.857 4.622 1.00 0.00 H new ATOM 926 N ALA A 58 -4.629 8.460 5.851 1.00 0.00 N ATOM 927 CA ALA A 58 -4.843 7.036 6.064 1.00 0.00 C ATOM 928 C ALA A 58 -5.732 6.444 4.975 1.00 0.00 C ATOM 929 O ALA A 58 -5.272 5.674 4.136 1.00 0.00 O ATOM 930 CB ALA A 58 -5.451 6.793 7.438 1.00 0.00 C ATOM 0 H ALA A 58 -5.118 9.066 6.510 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.875 6.537 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.606 5.724 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.776 7.170 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.407 7.311 7.509 1.00 0.00 H new ATOM 936 N ALA A 59 -7.007 6.817 4.992 1.00 0.00 N ATOM 937 CA ALA A 59 -7.965 6.322 4.010 1.00 0.00 C ATOM 938 C ALA A 59 -7.670 6.857 2.610 1.00 0.00 C ATOM 939 O ALA A 59 -7.827 6.147 1.620 1.00 0.00 O ATOM 940 CB ALA A 59 -9.380 6.696 4.423 1.00 0.00 C ATOM 0 H ALA A 59 -7.402 7.462 5.677 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.872 5.237 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.086 6.321 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.604 6.255 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.465 7.781 4.489 1.00 0.00 H new ATOM 946 N SER A 60 -7.237 8.109 2.540 1.00 0.00 N ATOM 947 CA SER A 60 -6.943 8.753 1.262 1.00 0.00 C ATOM 948 C SER A 60 -5.833 8.038 0.492 1.00 0.00 C ATOM 949 O SER A 60 -6.011 7.673 -0.670 1.00 0.00 O ATOM 950 CB SER A 60 -6.555 10.213 1.490 1.00 0.00 C ATOM 951 OG SER A 60 -7.604 10.928 2.121 1.00 0.00 O ATOM 0 H SER A 60 -7.081 8.702 3.355 1.00 0.00 H new ATOM 0 HA SER A 60 -7.848 8.698 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.656 10.262 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.314 10.682 0.536 1.00 0.00 H new ATOM 0 HG SER A 60 -7.330 11.859 2.257 1.00 0.00 H new ATOM 957 N ALA A 61 -4.690 7.844 1.141 1.00 0.00 N ATOM 958 CA ALA A 61 -3.545 7.200 0.500 1.00 0.00 C ATOM 959 C ALA A 61 -3.791 5.720 0.212 1.00 0.00 C ATOM 960 O ALA A 61 -3.523 5.248 -0.892 1.00 0.00 O ATOM 961 CB ALA A 61 -2.301 7.369 1.357 1.00 0.00 C ATOM 0 H ALA A 61 -4.530 8.122 2.109 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.396 7.692 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.455 6.885 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.088 8.430 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.467 6.913 2.333 1.00 0.00 H new ATOM 967 N VAL A 62 -4.290 4.989 1.205 1.00 0.00 N ATOM 968 CA VAL A 62 -4.545 3.560 1.043 1.00 0.00 C ATOM 969 C VAL A 62 -5.521 3.284 -0.102 1.00 0.00 C ATOM 970 O VAL A 62 -5.398 2.276 -0.799 1.00 0.00 O ATOM 971 CB VAL A 62 -5.080 2.929 2.346 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.459 1.471 2.130 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.045 3.049 3.453 1.00 0.00 C ATOM 0 H VAL A 62 -4.525 5.360 2.126 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.587 3.100 0.799 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.978 3.471 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.833 1.050 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.234 1.406 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.582 0.911 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.435 2.600 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.133 2.532 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.824 4.101 3.632 1.00 0.00 H new ATOM 983 N THR A 63 -6.484 4.180 -0.297 1.00 0.00 N ATOM 984 CA THR A 63 -7.468 4.014 -1.365 1.00 0.00 C ATOM 985 C THR A 63 -6.811 4.110 -2.740 1.00 0.00 C ATOM 986 O THR A 63 -6.942 3.204 -3.562 1.00 0.00 O ATOM 987 CB THR A 63 -8.597 5.059 -1.267 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.310 4.895 -0.036 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.567 4.926 -2.434 1.00 0.00 C ATOM 0 H THR A 63 -6.605 5.023 0.265 1.00 0.00 H new ATOM 0 HA THR A 63 -7.899 3.021 -1.241 1.00 0.00 H new ATOM 0 HB THR A 63 -8.144 6.050 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.999 5.560 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.354 5.675 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.032 5.077 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.011 3.931 -2.426 1.00 0.00 H new ATOM 997 N LYS A 64 -6.108 5.212 -2.986 1.00 0.00 N ATOM 998 CA LYS A 64 -5.434 5.420 -4.265 1.00 0.00 C ATOM 999 C LYS A 64 -4.274 4.445 -4.441 1.00 0.00 C ATOM 1000 O LYS A 64 -3.855 4.163 -5.565 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.929 6.864 -4.380 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.987 7.286 -3.259 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.538 6.952 -3.583 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.605 7.395 -2.467 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.174 7.154 -2.806 1.00 0.00 N ATOM 0 H LYS A 64 -5.990 5.974 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.160 5.235 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.416 6.983 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.786 7.537 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.083 8.358 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.277 6.788 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.437 5.878 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.250 7.439 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.756 8.456 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.856 6.860 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.427 7.470 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.023 6.138 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.073 7.685 -3.665 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.759 3.935 -3.327 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.640 2.998 -3.358 1.00 0.00 C ATOM 1021 C ALA A 65 -2.972 1.755 -4.177 1.00 0.00 C ATOM 1022 O ALA A 65 -2.114 1.216 -4.876 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.238 2.608 -1.943 1.00 0.00 C ATOM 0 H ALA A 65 -4.098 4.155 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.801 3.499 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.403 1.909 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.940 3.499 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.083 2.136 -1.442 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.218 1.303 -4.086 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.655 0.121 -4.822 1.00 0.00 C ATOM 1031 C ILE A 66 -4.609 0.359 -6.328 1.00 0.00 C ATOM 1032 O ILE A 66 -4.192 -0.513 -7.090 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.087 -0.294 -4.421 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.133 -0.719 -2.949 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.595 -1.416 -5.319 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.293 -1.939 -2.639 1.00 0.00 C ATOM 0 H ILE A 66 -4.942 1.735 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.965 -0.683 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.741 0.569 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.793 0.111 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.167 -0.921 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.606 -1.693 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.604 -1.077 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.939 -2.282 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.376 -2.178 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.646 -2.784 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.251 -1.735 -2.884 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.034 1.546 -6.750 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.056 1.899 -8.167 1.00 0.00 C ATOM 1050 C ASN A 67 -3.655 1.892 -8.776 1.00 0.00 C ATOM 1051 O ASN A 67 -3.451 1.377 -9.876 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.692 3.277 -8.355 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.105 3.343 -7.810 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.831 2.348 -7.811 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.503 4.519 -7.336 1.00 0.00 N ATOM 0 H ASN A 67 -5.369 2.283 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.650 1.145 -8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.078 4.028 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.703 3.527 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.443 4.623 -6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.869 5.318 -7.355 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.694 2.463 -8.057 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.318 2.535 -8.541 1.00 0.00 C ATOM 1064 C ILE A 68 -0.640 1.168 -8.526 1.00 0.00 C ATOM 1065 O ILE A 68 -0.086 0.731 -9.533 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.478 3.512 -7.693 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.167 4.876 -7.607 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.920 3.653 -8.278 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.534 5.810 -6.596 1.00 0.00 C ATOM 0 H ILE A 68 -2.841 2.882 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.372 2.895 -9.569 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.390 3.109 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.145 5.348 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.215 4.729 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.501 4.346 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.410 2.679 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.851 4.035 -9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.073 6.757 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.580 5.359 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.507 5.987 -6.866 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.694 0.499 -7.380 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.065 -0.808 -7.217 1.00 0.00 C ATOM 1083 C PHE A 69 -0.534 -1.812 -8.267 1.00 0.00 C ATOM 1084 O PHE A 69 0.282 -2.476 -8.907 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.345 -1.359 -5.819 1.00 0.00 C ATOM 1086 CG PHE A 69 0.346 -2.663 -5.543 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.709 -2.698 -5.298 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.364 -3.853 -5.535 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.352 -3.897 -5.047 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.271 -5.054 -5.284 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.631 -5.075 -5.040 1.00 0.00 C ATOM 0 H PHE A 69 -1.169 0.842 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 69 1.007 -0.665 -7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.030 -0.625 -5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.420 -1.493 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.276 -1.779 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.427 -3.841 -5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.415 -3.912 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.294 -5.974 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.130 -6.012 -4.844 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.846 -1.924 -8.442 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.411 -2.869 -9.400 1.00 0.00 C ATOM 1103 C GLN A 70 -1.910 -2.608 -10.824 1.00 0.00 C ATOM 1104 O GLN A 70 -1.322 -3.482 -11.456 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.949 -2.825 -9.353 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.564 -1.542 -9.891 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.079 -1.539 -9.807 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.763 -1.990 -10.725 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.610 -1.024 -8.704 1.00 0.00 N ATOM 0 H GLN A 70 -2.538 -1.373 -7.934 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.075 -3.866 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.341 -3.667 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.272 -2.962 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.171 -0.693 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.261 -1.406 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.004 -0.661 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.623 -0.991 -8.593 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.116 -1.395 -11.308 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.727 -1.023 -12.663 1.00 0.00 C ATOM 1120 C LYS A 71 -0.213 -1.018 -12.863 1.00 0.00 C ATOM 1121 O LYS A 71 0.259 -0.863 -13.990 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.295 0.354 -13.004 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.813 0.401 -13.007 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.325 1.798 -13.315 1.00 0.00 C ATOM 1125 CE LYS A 71 -5.843 1.846 -13.322 1.00 0.00 C ATOM 1126 NZ LYS A 71 -6.356 3.211 -13.621 1.00 0.00 N ATOM 0 H LYS A 71 -2.555 -0.642 -10.778 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.138 -1.779 -13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.919 1.081 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.928 0.656 -13.985 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.199 -0.301 -13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.190 0.080 -12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.941 2.499 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.945 2.120 -14.285 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.225 1.145 -14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.221 1.521 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.396 3.200 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.013 3.876 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.017 3.512 -14.557 1.00 0.00 H new ATOM 1140 N LEU A 72 0.555 -1.187 -11.790 1.00 0.00 N ATOM 1141 CA LEU A 72 2.011 -1.135 -11.913 1.00 0.00 C ATOM 1142 C LEU A 72 2.714 -2.487 -11.826 1.00 0.00 C ATOM 1143 O LEU A 72 3.650 -2.741 -12.583 1.00 0.00 O ATOM 1144 CB LEU A 72 2.560 -0.269 -10.789 1.00 0.00 C ATOM 1145 CG LEU A 72 3.010 1.134 -11.186 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.198 1.072 -12.134 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.861 1.910 -11.812 1.00 0.00 C ATOM 0 H LEU A 72 0.206 -1.357 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 72 2.208 -0.737 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.794 -0.179 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.407 -0.787 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 72 3.324 1.658 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.502 2.084 -12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.028 0.562 -11.644 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.917 0.526 -13.034 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.203 2.907 -12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.511 1.387 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.044 1.992 -11.095 1.00 0.00 H new ATOM 1159 N ASN A 73 2.279 -3.354 -10.923 1.00 0.00 N ATOM 1160 CA ASN A 73 2.951 -4.643 -10.767 1.00 0.00 C ATOM 1161 C ASN A 73 2.038 -5.857 -10.907 1.00 0.00 C ATOM 1162 O ASN A 73 2.335 -6.776 -11.670 1.00 0.00 O ATOM 1163 CB ASN A 73 3.655 -4.694 -9.410 1.00 0.00 C ATOM 1164 CG ASN A 73 4.719 -3.623 -9.271 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.331 -3.207 -10.255 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.950 -3.173 -8.043 1.00 0.00 N ATOM 0 H ASN A 73 1.486 -3.199 -10.301 1.00 0.00 H new ATOM 0 HA ASN A 73 3.664 -4.706 -11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.917 -4.575 -8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.111 -5.675 -9.277 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.658 -2.455 -7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.420 -3.545 -7.255 1.00 0.00 H new ATOM 1173 N TYR A 74 0.932 -5.863 -10.174 1.00 0.00 N ATOM 1174 CA TYR A 74 0.035 -7.022 -10.182 1.00 0.00 C ATOM 1175 C TYR A 74 -1.444 -6.654 -10.236 1.00 0.00 C ATOM 1176 O TYR A 74 -2.192 -6.956 -9.307 1.00 0.00 O ATOM 1177 CB TYR A 74 0.307 -7.905 -8.963 1.00 0.00 C ATOM 1178 CG TYR A 74 1.603 -8.677 -9.058 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.688 -9.836 -9.820 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.740 -8.248 -8.386 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.871 -10.544 -9.911 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.928 -8.951 -8.473 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.987 -10.098 -9.235 1.00 0.00 C ATOM 1184 OH TYR A 74 5.166 -10.801 -9.326 1.00 0.00 O ATOM 0 H TYR A 74 0.634 -5.094 -9.574 1.00 0.00 H new ATOM 0 HA TYR A 74 0.251 -7.567 -11.101 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.329 -7.281 -8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.518 -8.607 -8.841 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.815 -10.189 -10.350 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.696 -7.351 -7.786 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.921 -11.442 -10.509 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.805 -8.603 -7.947 1.00 0.00 H new ATOM 0 HH TYR A 74 5.856 -10.354 -8.792 1.00 0.00 H new ATOM 1194 N MET A 75 -1.865 -5.996 -11.309 1.00 0.00 N ATOM 1195 CA MET A 75 -3.267 -5.619 -11.458 1.00 0.00 C ATOM 1196 C MET A 75 -4.180 -6.828 -11.259 1.00 0.00 C ATOM 1197 O MET A 75 -5.375 -6.681 -11.006 1.00 0.00 O ATOM 1198 CB MET A 75 -3.513 -4.996 -12.833 1.00 0.00 C ATOM 1199 CG MET A 75 -2.992 -5.835 -13.988 1.00 0.00 C ATOM 1200 SD MET A 75 -3.332 -5.087 -15.594 1.00 0.00 S ATOM 1201 CE MET A 75 -2.492 -6.230 -16.686 1.00 0.00 C ATOM 0 H MET A 75 -1.263 -5.714 -12.083 1.00 0.00 H new ATOM 0 HA MET A 75 -3.500 -4.880 -10.691 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.584 -4.839 -12.964 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.040 -4.014 -12.867 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.917 -5.974 -13.876 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.447 -6.825 -13.948 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.612 -5.902 -17.718 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.432 -6.260 -16.435 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.920 -7.226 -16.570 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.605 -8.023 -11.377 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.357 -9.259 -11.202 1.00 0.00 C ATOM 1213 C HIS A 76 -4.526 -9.594 -9.720 1.00 0.00 C ATOM 1214 O HIS A 76 -5.636 -9.848 -9.255 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.650 -10.410 -11.921 1.00 0.00 C ATOM 1216 CG HIS A 76 -3.514 -10.199 -13.396 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -2.319 -9.936 -14.028 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.456 -10.220 -14.372 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -2.567 -9.805 -15.338 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -3.849 -9.971 -15.600 1.00 0.00 N ATOM 0 H HIS A 76 -2.618 -8.159 -11.594 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.347 -9.118 -11.635 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.659 -10.544 -11.488 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.202 -11.333 -11.743 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.510 -10.401 -14.220 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.815 -9.591 -16.083 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.302 -9.926 -16.513 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.414 -9.593 -8.987 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.430 -9.900 -7.558 1.00 0.00 C ATOM 1230 C ILE A 77 -4.195 -8.842 -6.768 1.00 0.00 C ATOM 1231 O ILE A 77 -5.037 -9.167 -5.931 1.00 0.00 O ATOM 1232 CB ILE A 77 -1.995 -10.015 -6.996 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.290 -11.237 -7.596 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.017 -10.094 -5.474 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.143 -11.405 -7.135 1.00 0.00 C ATOM 0 H ILE A 77 -2.488 -9.382 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.937 -10.859 -7.447 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.438 -9.121 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.853 -12.133 -7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.305 -11.156 -8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.997 -10.174 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.482 -9.195 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.588 -10.969 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.574 -12.290 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.722 -10.526 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.166 -11.519 -6.051 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.891 -7.576 -7.035 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.540 -6.465 -6.349 1.00 0.00 C ATOM 1249 C ALA A 78 -6.059 -6.554 -6.453 1.00 0.00 C ATOM 1250 O ALA A 78 -6.773 -6.113 -5.554 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.048 -5.143 -6.909 1.00 0.00 C ATOM 0 H ALA A 78 -3.195 -7.293 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.276 -6.524 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.540 -4.322 -6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.970 -5.067 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.280 -5.089 -7.973 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.545 -7.120 -7.553 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.983 -7.262 -7.769 1.00 0.00 C ATOM 1259 C ASN A 79 -8.648 -7.953 -6.582 1.00 0.00 C ATOM 1260 O ASN A 79 -9.773 -7.625 -6.210 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.253 -8.053 -9.052 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.734 -8.223 -9.327 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.364 -9.163 -8.842 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.299 -7.313 -10.114 1.00 0.00 N ATOM 0 H ASN A 79 -5.966 -7.488 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.409 -6.264 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.786 -7.543 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.786 -9.035 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.292 -7.378 -10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.739 -6.550 -10.495 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.953 -8.924 -6.002 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.473 -9.654 -4.853 1.00 0.00 C ATOM 1273 C ALA A 80 -8.450 -8.793 -3.591 1.00 0.00 C ATOM 1274 O ALA A 80 -9.326 -8.911 -2.733 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.676 -10.931 -4.636 1.00 0.00 C ATOM 0 H ALA A 80 -7.028 -9.224 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.511 -9.914 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.075 -11.467 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.751 -11.562 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.630 -10.681 -4.456 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.442 -7.929 -3.486 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.290 -7.059 -2.322 1.00 0.00 C ATOM 1283 C LEU A 81 -8.339 -5.948 -2.300 1.00 0.00 C ATOM 1284 O LEU A 81 -8.912 -5.651 -1.251 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.886 -6.449 -2.298 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.738 -7.460 -2.242 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.396 -6.746 -2.294 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.836 -8.314 -0.986 1.00 0.00 C ATOM 0 H LEU A 81 -6.717 -7.813 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.437 -7.673 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.761 -5.830 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.809 -5.788 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.816 -8.114 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.591 -7.480 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.322 -6.178 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.312 -6.068 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.011 -9.026 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.785 -7.673 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.782 -8.855 -0.987 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.584 -5.332 -3.453 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.561 -4.250 -3.547 1.00 0.00 C ATOM 1302 C GLU A 82 -10.937 -4.718 -3.083 1.00 0.00 C ATOM 1303 O GLU A 82 -11.757 -3.916 -2.634 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.641 -3.714 -4.978 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.170 -4.723 -5.982 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.481 -4.099 -7.328 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.628 -3.647 -7.522 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.576 -4.063 -8.188 1.00 0.00 O ATOM 0 H GLU A 82 -8.122 -5.562 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.231 -3.444 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.282 -2.833 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.648 -3.390 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.435 -5.517 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.072 -5.187 -5.584 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.187 -6.019 -3.198 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.463 -6.591 -2.784 1.00 0.00 C ATOM 1317 C GLU A 83 -12.649 -6.458 -1.275 1.00 0.00 C ATOM 1318 O GLU A 83 -13.767 -6.292 -0.788 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.548 -8.061 -3.199 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.520 -8.270 -4.704 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.736 -7.686 -5.398 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -13.713 -6.479 -5.720 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -14.710 -8.435 -5.619 1.00 0.00 O ATOM 0 H GLU A 83 -10.523 -6.696 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.262 -6.040 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.718 -8.606 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.466 -8.491 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.619 -7.814 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.462 -9.337 -4.918 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.542 -6.535 -0.542 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.568 -6.424 0.913 1.00 0.00 C ATOM 1332 C LYS A 84 -12.133 -5.076 1.353 1.00 0.00 C ATOM 1333 O LYS A 84 -12.713 -4.961 2.434 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.160 -6.610 1.477 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.124 -6.804 2.985 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.732 -7.187 3.462 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.343 -8.577 2.982 1.00 0.00 C ATOM 1338 NZ LYS A 84 -6.868 -8.767 2.973 1.00 0.00 N ATOM 0 H LYS A 84 -10.611 -6.675 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.219 -7.208 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.698 -7.473 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.557 -5.740 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.440 -5.885 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.834 -7.580 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.008 -6.459 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.697 -7.154 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.802 -9.326 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.736 -8.738 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.644 -9.726 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.432 -8.069 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.496 -8.639 3.936 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.952 -4.058 0.514 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.438 -2.713 0.815 1.00 0.00 C ATOM 1354 C LYS A 85 -13.914 -2.736 1.204 1.00 0.00 C ATOM 1355 O LYS A 85 -14.353 -1.956 2.049 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.238 -1.797 -0.394 1.00 0.00 C ATOM 1357 CG LYS A 85 -10.788 -1.681 -0.839 1.00 0.00 C ATOM 1358 CD LYS A 85 -10.660 -0.905 -2.141 1.00 0.00 C ATOM 1359 CE LYS A 85 -10.983 0.569 -1.951 1.00 0.00 C ATOM 1360 NZ LYS A 85 -10.870 1.331 -3.227 1.00 0.00 N ATOM 0 H LYS A 85 -11.471 -4.139 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.865 -2.330 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.835 -2.171 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.615 -0.803 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.207 -1.185 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.365 -2.678 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.646 -1.009 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.331 -1.332 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.993 0.671 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.306 0.997 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.258 2.287 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.870 1.398 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.403 0.840 -3.973 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.672 -3.632 0.577 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.098 -3.761 0.855 1.00 0.00 C ATOM 1376 C LYS A 86 -16.352 -3.884 2.355 1.00 0.00 C ATOM 1377 O LYS A 86 -17.230 -3.216 2.903 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.663 -4.981 0.127 1.00 0.00 C ATOM 1379 CG LYS A 86 -18.179 -5.076 0.180 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.703 -6.217 -0.681 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.665 -5.870 -2.163 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.281 -5.896 -2.715 1.00 0.00 N ATOM 0 H LYS A 86 -14.321 -4.280 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.600 -2.863 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.346 -4.950 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.236 -5.884 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.498 -5.223 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.614 -4.136 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.106 -7.111 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.726 -6.453 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.287 -6.575 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.095 -4.880 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.289 -6.352 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.926 -4.923 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.662 -6.431 -2.074 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.580 -4.744 3.013 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.716 -4.953 4.450 1.00 0.00 C ATOM 1398 C GLU A 87 -15.064 -3.813 5.228 1.00 0.00 C ATOM 1399 O GLU A 87 -15.500 -3.465 6.323 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.083 -6.285 4.857 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.256 -6.613 6.330 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.486 -7.851 6.747 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -15.005 -8.969 6.546 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -13.364 -7.703 7.274 1.00 0.00 O ATOM 0 H GLU A 87 -14.853 -5.308 2.573 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.779 -4.975 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.523 -7.084 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.019 -6.260 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.924 -5.765 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.315 -6.759 6.544 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.012 -3.241 4.652 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.288 -2.142 5.283 1.00 0.00 C ATOM 1413 C ALA A 88 -14.220 -0.989 5.636 1.00 0.00 C ATOM 1414 O ALA A 88 -13.968 -0.241 6.581 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.185 -1.652 4.361 1.00 0.00 C ATOM 0 H ALA A 88 -13.640 -3.522 3.745 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.851 -2.516 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.649 -0.832 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.492 -2.468 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.621 -1.304 3.425 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.292 -0.853 4.866 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.262 0.215 5.074 1.00 0.00 C ATOM 1423 C GLU A 89 -16.774 0.245 6.514 1.00 0.00 C ATOM 1424 O GLU A 89 -16.753 1.290 7.164 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.435 0.051 4.110 1.00 0.00 C ATOM 1426 CG GLU A 89 -18.207 1.336 3.880 1.00 0.00 C ATOM 1427 CD GLU A 89 -19.393 1.147 2.954 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -20.491 0.824 3.455 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -19.225 1.321 1.729 1.00 0.00 O ATOM 0 H GLU A 89 -15.513 -1.473 4.087 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.757 1.161 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.062 -0.317 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.114 -0.707 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.557 1.722 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.538 2.087 3.459 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.234 -0.901 7.007 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.762 -0.989 8.366 1.00 0.00 C ATOM 1438 C ARG A 90 -16.647 -0.915 9.406 1.00 0.00 C ATOM 1439 O ARG A 90 -16.910 -0.727 10.595 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.561 -2.283 8.548 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.723 -3.546 8.433 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.560 -4.792 8.671 1.00 0.00 C ATOM 1443 NE ARG A 90 -17.758 -6.012 8.623 1.00 0.00 N ATOM 1444 CZ ARG A 90 -18.254 -7.228 8.835 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.543 -7.383 9.110 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -17.463 -8.290 8.775 1.00 0.00 N ATOM 0 H ARG A 90 -17.252 -1.779 6.489 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.423 -0.136 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.043 -2.266 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.355 -2.316 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.270 -3.594 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.908 -3.510 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.050 -4.719 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -19.348 -4.847 7.920 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.763 -5.927 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.155 -6.569 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.921 -8.316 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.471 -8.176 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.846 -9.221 8.938 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.404 -1.058 8.958 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.259 -1.010 9.861 1.00 0.00 C ATOM 1462 C LYS A 91 -13.907 0.428 10.231 1.00 0.00 C ATOM 1463 O LYS A 91 -13.115 0.667 11.143 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.049 -1.699 9.227 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.288 -3.168 8.906 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.003 -3.865 8.488 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.058 -4.049 9.665 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.628 -4.958 10.698 1.00 0.00 N ATOM 0 H LYS A 91 -15.164 -1.208 7.978 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.532 -1.540 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.780 -1.174 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.198 -1.616 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.707 -3.668 9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.025 -3.251 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.240 -4.837 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.508 -3.282 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.110 -4.453 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.844 -3.079 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.866 -5.300 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.330 -4.442 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.086 -5.768 10.233 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.498 1.384 9.520 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.249 2.797 9.782 1.00 0.00 C ATOM 1484 C LEU A 92 -15.455 3.445 10.453 1.00 0.00 C ATOM 1485 O LEU A 92 -15.509 4.664 10.614 1.00 0.00 O ATOM 1486 CB LEU A 92 -13.916 3.536 8.483 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.458 3.435 8.029 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.129 2.018 7.585 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.181 4.426 6.907 1.00 0.00 C ATOM 0 H LEU A 92 -15.152 1.205 8.758 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.395 2.867 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.554 3.148 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.168 4.589 8.608 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.817 3.683 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.088 1.969 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.287 1.330 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.776 1.738 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.140 4.341 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.832 4.208 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.373 5.439 7.261 1.00 0.00 H new