USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 69 SER OG : rot 180:sc= 0.0939 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.00114 USER MOD Set 2.1: A 45 MET CE :methyl -174:sc= 0 (180deg=-0.0879) USER MOD Set 2.2: A 81 MET CE :methyl -139:sc= -4.86! (180deg=-9.13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc=-0.00648 (180deg=-0.0634) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.05 K(o=-2,f=-3.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 16 GLN : amide:sc= -0.464 K(o=-0.46,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.68! K(o=-1.7!,f=-2.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -99:sc= 0.607 USER MOD Single : A 37 SER OG : rot 180:sc= 0.168 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.1 (180deg=-0.941) USER MOD Single : A 47 MET CE :methyl 161:sc= -0.0826 (180deg=-1.21) USER MOD Single : A 50 GLN : amide:sc= -4.66! C(o=-4.7!,f=-16!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 58 GLN :FLIP amide:sc= -4.23! C(o=-4.9!,f=-4.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 152:sc= -1.15 (180deg=-2.17) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -149:sc= -3.31 (180deg=-5.71!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 57:sc= 0.0303 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.905 -1.662 19.849 1.00 4.64 N ATOM 2 CA MET A 1 81.395 -1.604 19.902 1.00 4.12 C ATOM 3 C MET A 1 81.998 -2.549 18.859 1.00 3.48 C ATOM 4 O MET A 1 82.795 -3.411 19.174 1.00 3.58 O ATOM 5 CB MET A 1 81.762 -2.060 21.315 1.00 4.98 C ATOM 6 CG MET A 1 81.434 -0.946 22.310 1.00 5.66 C ATOM 7 SD MET A 1 82.476 -1.120 23.780 1.00 6.61 S ATOM 8 CE MET A 1 82.776 0.642 24.054 1.00 7.61 C ATOM 0 H1 MET A 1 79.529 -0.718 19.627 1.00 4.64 H new ATOM 0 H2 MET A 1 79.610 -2.334 19.112 1.00 4.64 H new ATOM 0 H3 MET A 1 79.537 -1.974 20.770 1.00 4.64 H new ATOM 0 HA MET A 1 81.777 -0.606 19.685 1.00 4.12 H new ATOM 0 HB2 MET A 1 81.211 -2.965 21.571 1.00 4.98 H new ATOM 0 HB3 MET A 1 82.822 -2.307 21.365 1.00 4.98 H new ATOM 0 HG2 MET A 1 81.598 0.028 21.849 1.00 5.66 H new ATOM 0 HG3 MET A 1 80.382 -0.993 22.590 1.00 5.66 H new ATOM 0 HE1 MET A 1 83.411 0.771 24.930 1.00 7.61 H new ATOM 0 HE2 MET A 1 83.272 1.067 23.181 1.00 7.61 H new ATOM 0 HE3 MET A 1 81.826 1.152 24.216 1.00 7.61 H new ATOM 20 N ASP A 2 81.625 -2.393 17.619 1.00 3.24 N ATOM 21 CA ASP A 2 82.178 -3.281 16.556 1.00 2.87 C ATOM 22 C ASP A 2 81.974 -2.644 15.179 1.00 2.07 C ATOM 23 O ASP A 2 81.728 -1.460 15.061 1.00 2.09 O ATOM 24 CB ASP A 2 81.381 -4.580 16.672 1.00 3.39 C ATOM 25 CG ASP A 2 82.159 -5.582 17.528 1.00 4.29 C ATOM 26 OD1 ASP A 2 83.302 -5.852 17.197 1.00 4.77 O ATOM 27 OD2 ASP A 2 81.598 -6.062 18.498 1.00 4.75 O ATOM 0 H ASP A 2 80.961 -1.689 17.295 1.00 3.24 H new ATOM 0 HA ASP A 2 83.249 -3.450 16.672 1.00 2.87 H new ATOM 0 HB2 ASP A 2 80.407 -4.383 17.119 1.00 3.39 H new ATOM 0 HB3 ASP A 2 81.198 -4.997 15.681 1.00 3.39 H new ATOM 32 N ASP A 3 82.073 -3.421 14.136 1.00 1.76 N ATOM 33 CA ASP A 3 81.883 -2.861 12.768 1.00 1.28 C ATOM 34 C ASP A 3 81.911 -3.987 11.732 1.00 1.35 C ATOM 35 O ASP A 3 82.921 -4.629 11.524 1.00 1.53 O ATOM 36 CB ASP A 3 83.062 -1.908 12.561 1.00 1.32 C ATOM 37 CG ASP A 3 84.361 -2.600 12.976 1.00 2.14 C ATOM 38 OD1 ASP A 3 84.318 -3.790 13.236 1.00 2.84 O ATOM 39 OD2 ASP A 3 85.378 -1.927 13.025 1.00 2.66 O ATOM 0 H ASP A 3 82.277 -4.420 14.172 1.00 1.76 H new ATOM 0 HA ASP A 3 80.926 -2.351 12.658 1.00 1.28 H new ATOM 0 HB2 ASP A 3 83.118 -1.604 11.516 1.00 1.32 H new ATOM 0 HB3 ASP A 3 82.917 -1.002 13.149 1.00 1.32 H new ATOM 44 N ILE A 4 80.807 -4.235 11.083 1.00 1.45 N ATOM 45 CA ILE A 4 80.769 -5.322 10.064 1.00 1.66 C ATOM 46 C ILE A 4 79.963 -4.876 8.842 1.00 1.48 C ATOM 47 O ILE A 4 80.333 -5.135 7.714 1.00 1.58 O ATOM 48 CB ILE A 4 80.080 -6.493 10.764 1.00 1.89 C ATOM 49 CG1 ILE A 4 80.744 -6.741 12.120 1.00 2.25 C ATOM 50 CG2 ILE A 4 80.205 -7.748 9.899 1.00 1.95 C ATOM 51 CD1 ILE A 4 80.091 -7.949 12.794 1.00 2.30 C ATOM 0 H ILE A 4 79.929 -3.732 11.214 1.00 1.45 H new ATOM 0 HA ILE A 4 81.763 -5.588 9.706 1.00 1.66 H new ATOM 0 HB ILE A 4 79.026 -6.257 10.914 1.00 1.89 H new ATOM 0 HG12 ILE A 4 81.811 -6.918 11.987 1.00 2.25 H new ATOM 0 HG13 ILE A 4 80.643 -5.859 12.753 1.00 2.25 H new ATOM 0 HG21 ILE A 4 79.714 -8.584 10.397 1.00 1.95 H new ATOM 0 HG22 ILE A 4 79.732 -7.573 8.933 1.00 1.95 H new ATOM 0 HG23 ILE A 4 81.259 -7.983 9.749 1.00 1.95 H new ATOM 0 HD11 ILE A 4 80.564 -8.126 13.760 1.00 2.30 H new ATOM 0 HD12 ILE A 4 79.029 -7.754 12.940 1.00 2.30 H new ATOM 0 HD13 ILE A 4 80.215 -8.829 12.163 1.00 2.30 H new ATOM 63 N TYR A 5 78.861 -4.211 9.058 1.00 1.29 N ATOM 64 CA TYR A 5 78.030 -3.752 7.908 1.00 1.15 C ATOM 65 C TYR A 5 78.562 -2.421 7.367 1.00 1.04 C ATOM 66 O TYR A 5 78.505 -2.155 6.183 1.00 1.02 O ATOM 67 CB TYR A 5 76.623 -3.578 8.481 1.00 1.16 C ATOM 68 CG TYR A 5 75.935 -4.921 8.539 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.469 -5.517 7.362 1.00 1.89 C ATOM 70 CD2 TYR A 5 75.763 -5.568 9.769 1.00 1.97 C ATOM 71 CE1 TYR A 5 74.831 -6.762 7.413 1.00 2.12 C ATOM 72 CE2 TYR A 5 75.124 -6.813 9.820 1.00 2.21 C ATOM 73 CZ TYR A 5 74.658 -7.410 8.642 1.00 1.97 C ATOM 74 OH TYR A 5 74.029 -8.637 8.691 1.00 2.28 O ATOM 0 H TYR A 5 78.500 -3.966 9.980 1.00 1.29 H new ATOM 0 HA TYR A 5 78.046 -4.458 7.078 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.676 -3.141 9.478 1.00 1.16 H new ATOM 0 HB3 TYR A 5 76.049 -2.889 7.861 1.00 1.16 H new ATOM 0 HD1 TYR A 5 75.602 -5.017 6.414 1.00 1.89 H new ATOM 0 HD2 TYR A 5 76.123 -5.107 10.677 1.00 1.97 H new ATOM 0 HE1 TYR A 5 74.472 -7.223 6.504 1.00 2.12 H new ATOM 0 HE2 TYR A 5 74.991 -7.313 10.768 1.00 2.21 H new ATOM 0 HH TYR A 5 73.992 -8.949 9.619 1.00 2.28 H new ATOM 84 N LYS A 6 79.084 -1.585 8.224 1.00 1.08 N ATOM 85 CA LYS A 6 79.622 -0.276 7.752 1.00 1.15 C ATOM 86 C LYS A 6 80.761 -0.508 6.756 1.00 1.34 C ATOM 87 O LYS A 6 81.165 0.386 6.039 1.00 1.48 O ATOM 88 CB LYS A 6 80.139 0.420 9.012 1.00 1.28 C ATOM 89 CG LYS A 6 81.366 -0.326 9.541 1.00 1.93 C ATOM 90 CD LYS A 6 82.530 0.655 9.705 1.00 2.17 C ATOM 91 CE LYS A 6 83.850 -0.118 9.734 1.00 3.13 C ATOM 92 NZ LYS A 6 84.548 0.269 8.477 1.00 3.45 N ATOM 0 H LYS A 6 79.161 -1.751 9.227 1.00 1.08 H new ATOM 0 HA LYS A 6 78.869 0.323 7.241 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.398 1.455 8.788 1.00 1.28 H new ATOM 0 HB3 LYS A 6 79.359 0.444 9.773 1.00 1.28 H new ATOM 0 HG2 LYS A 6 81.135 -0.795 10.497 1.00 1.93 H new ATOM 0 HG3 LYS A 6 81.644 -1.124 8.853 1.00 1.93 H new ATOM 0 HD2 LYS A 6 82.534 1.371 8.883 1.00 2.17 H new ATOM 0 HD3 LYS A 6 82.411 1.226 10.626 1.00 2.17 H new ATOM 0 HE2 LYS A 6 84.442 0.144 10.611 1.00 3.13 H new ATOM 0 HE3 LYS A 6 83.677 -1.193 9.775 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 85.464 -0.221 8.423 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 83.964 0.002 7.659 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 84.705 1.297 8.469 1.00 3.45 H new ATOM 106 N ALA A 7 81.278 -1.704 6.706 1.00 1.45 N ATOM 107 CA ALA A 7 82.388 -1.999 5.756 1.00 1.74 C ATOM 108 C ALA A 7 81.825 -2.583 4.457 1.00 1.74 C ATOM 109 O ALA A 7 82.399 -2.430 3.397 1.00 1.92 O ATOM 110 CB ALA A 7 83.259 -3.031 6.474 1.00 1.95 C ATOM 0 H ALA A 7 80.980 -2.491 7.282 1.00 1.45 H new ATOM 0 HA ALA A 7 82.953 -1.106 5.487 1.00 1.74 H new ATOM 0 HB1 ALA A 7 84.102 -3.302 5.838 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.630 -2.608 7.407 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.667 -3.920 6.689 1.00 1.95 H new ATOM 116 N ALA A 8 80.705 -3.248 4.531 1.00 1.60 N ATOM 117 CA ALA A 8 80.104 -3.840 3.302 1.00 1.68 C ATOM 118 C ALA A 8 79.645 -2.732 2.350 1.00 1.49 C ATOM 119 O ALA A 8 79.603 -2.910 1.148 1.00 1.62 O ATOM 120 CB ALA A 8 78.906 -4.651 3.798 1.00 1.71 C ATOM 0 H ALA A 8 80.179 -3.407 5.390 1.00 1.60 H new ATOM 0 HA ALA A 8 80.814 -4.457 2.751 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.408 -5.120 2.950 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.249 -5.421 4.489 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.206 -3.990 4.310 1.00 1.71 H new ATOM 126 N VAL A 9 79.296 -1.590 2.877 1.00 1.25 N ATOM 127 CA VAL A 9 78.837 -0.472 2.002 1.00 1.20 C ATOM 128 C VAL A 9 80.029 0.185 1.302 1.00 1.40 C ATOM 129 O VAL A 9 79.956 0.551 0.146 1.00 1.41 O ATOM 130 CB VAL A 9 78.164 0.523 2.946 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.824 1.802 2.181 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.880 -0.091 3.506 1.00 1.52 C ATOM 0 H VAL A 9 79.309 -1.382 3.876 1.00 1.25 H new ATOM 0 HA VAL A 9 78.161 -0.819 1.220 1.00 1.20 H new ATOM 0 HB VAL A 9 78.842 0.759 3.766 1.00 1.13 H new ATOM 0 HG11 VAL A 9 77.344 2.512 2.854 1.00 1.83 H new ATOM 0 HG12 VAL A 9 78.738 2.241 1.782 1.00 1.83 H new ATOM 0 HG13 VAL A 9 77.147 1.566 1.360 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.401 0.619 4.179 1.00 1.52 H new ATOM 0 HG22 VAL A 9 76.202 -0.328 2.686 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.121 -1.003 4.052 1.00 1.52 H new ATOM 142 N GLU A 10 81.124 0.345 1.993 1.00 1.64 N ATOM 143 CA GLU A 10 82.313 0.986 1.370 1.00 1.94 C ATOM 144 C GLU A 10 82.860 0.110 0.239 1.00 1.97 C ATOM 145 O GLU A 10 83.371 0.601 -0.747 1.00 2.19 O ATOM 146 CB GLU A 10 83.328 1.102 2.505 1.00 2.23 C ATOM 147 CG GLU A 10 84.695 1.455 1.926 1.00 2.75 C ATOM 148 CD GLU A 10 85.508 2.233 2.964 1.00 3.11 C ATOM 149 OE1 GLU A 10 85.550 1.794 4.102 1.00 3.35 O ATOM 150 OE2 GLU A 10 86.073 3.252 2.604 1.00 3.61 O ATOM 0 H GLU A 10 81.245 0.058 2.964 1.00 1.64 H new ATOM 0 HA GLU A 10 82.080 1.955 0.927 1.00 1.94 H new ATOM 0 HB2 GLU A 10 83.012 1.867 3.214 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.385 0.162 3.055 1.00 2.23 H new ATOM 0 HG2 GLU A 10 85.226 0.547 1.640 1.00 2.75 H new ATOM 0 HG3 GLU A 10 84.575 2.052 1.022 1.00 2.75 H new ATOM 157 N GLN A 11 82.755 -1.184 0.373 1.00 1.87 N ATOM 158 CA GLN A 11 83.269 -2.087 -0.697 1.00 2.00 C ATOM 159 C GLN A 11 82.399 -1.972 -1.952 1.00 1.46 C ATOM 160 O GLN A 11 82.746 -2.463 -3.008 1.00 1.69 O ATOM 161 CB GLN A 11 83.171 -3.494 -0.107 1.00 2.54 C ATOM 162 CG GLN A 11 84.517 -3.887 0.507 1.00 3.27 C ATOM 163 CD GLN A 11 84.641 -3.268 1.900 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.245 -3.866 2.880 1.00 4.41 O ATOM 165 NE2 GLN A 11 85.181 -2.088 2.031 1.00 3.95 N ATOM 0 H GLN A 11 82.336 -1.655 1.175 1.00 1.87 H new ATOM 0 HA GLN A 11 84.288 -1.837 -0.993 1.00 2.00 H new ATOM 0 HB2 GLN A 11 82.390 -3.527 0.652 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.892 -4.206 -0.883 1.00 2.54 H new ATOM 0 HG2 GLN A 11 84.597 -4.972 0.571 1.00 3.27 H new ATOM 0 HG3 GLN A 11 85.333 -3.544 -0.129 1.00 3.27 H new ATOM 0 HE21 GLN A 11 85.514 -1.585 1.208 1.00 3.95 H new ATOM 0 HE22 GLN A 11 85.271 -1.668 2.956 1.00 3.95 H new ATOM 174 N LEU A 12 81.270 -1.327 -1.845 1.00 1.14 N ATOM 175 CA LEU A 12 80.377 -1.183 -3.030 1.00 1.23 C ATOM 176 C LEU A 12 81.106 -0.450 -4.160 1.00 1.75 C ATOM 177 O LEU A 12 81.491 0.694 -4.025 1.00 2.52 O ATOM 178 CB LEU A 12 79.190 -0.359 -2.532 1.00 1.10 C ATOM 179 CG LEU A 12 78.298 -1.237 -1.654 1.00 1.16 C ATOM 180 CD1 LEU A 12 77.290 -0.361 -0.910 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.550 -2.242 -2.535 1.00 1.62 C ATOM 0 H LEU A 12 80.927 -0.893 -0.988 1.00 1.14 H new ATOM 0 HA LEU A 12 80.065 -2.147 -3.431 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.543 0.502 -1.965 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.621 0.027 -3.377 1.00 1.10 H new ATOM 0 HG LEU A 12 78.913 -1.773 -0.931 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.655 -0.988 -0.285 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.822 0.355 -0.284 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.673 0.176 -1.631 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.913 -2.869 -1.911 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.935 -1.705 -3.257 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.269 -2.868 -3.064 1.00 1.62 H new ATOM 193 N THR A 13 81.299 -1.104 -5.273 1.00 1.74 N ATOM 194 CA THR A 13 82.004 -0.446 -6.411 1.00 2.37 C ATOM 195 C THR A 13 81.289 0.852 -6.792 1.00 2.28 C ATOM 196 O THR A 13 80.082 0.960 -6.696 1.00 1.84 O ATOM 197 CB THR A 13 81.934 -1.457 -7.555 1.00 2.87 C ATOM 198 OG1 THR A 13 80.651 -2.070 -7.566 1.00 2.80 O ATOM 199 CG2 THR A 13 83.011 -2.526 -7.361 1.00 3.47 C ATOM 0 H THR A 13 81.000 -2.064 -5.444 1.00 1.74 H new ATOM 0 HA THR A 13 83.032 -0.181 -6.166 1.00 2.37 H new ATOM 0 HB THR A 13 82.101 -0.945 -8.503 1.00 2.87 H new ATOM 0 HG1 THR A 13 80.604 -2.717 -8.300 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.960 -3.246 -8.177 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.994 -2.055 -7.354 1.00 3.47 H new ATOM 0 HG23 THR A 13 82.848 -3.039 -6.413 1.00 3.47 H new ATOM 207 N GLU A 14 82.024 1.839 -7.225 1.00 2.79 N ATOM 208 CA GLU A 14 81.389 3.131 -7.610 1.00 2.85 C ATOM 209 C GLU A 14 80.355 2.910 -8.717 1.00 2.54 C ATOM 210 O GLU A 14 79.310 3.530 -8.736 1.00 2.21 O ATOM 211 CB GLU A 14 82.539 4.001 -8.117 1.00 3.57 C ATOM 212 CG GLU A 14 82.316 5.450 -7.678 1.00 3.91 C ATOM 213 CD GLU A 14 83.221 6.374 -8.494 1.00 4.24 C ATOM 214 OE1 GLU A 14 84.325 5.960 -8.811 1.00 4.48 O ATOM 215 OE2 GLU A 14 82.796 7.480 -8.788 1.00 4.66 O ATOM 0 H GLU A 14 83.038 1.807 -7.329 1.00 2.79 H new ATOM 0 HA GLU A 14 80.862 3.594 -6.776 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.487 3.633 -7.725 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.600 3.945 -9.204 1.00 3.57 H new ATOM 0 HG2 GLU A 14 81.272 5.728 -7.820 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.533 5.557 -6.615 1.00 3.91 H new ATOM 222 N GLU A 15 80.637 2.033 -9.643 1.00 2.73 N ATOM 223 CA GLU A 15 79.666 1.780 -10.746 1.00 2.59 C ATOM 224 C GLU A 15 78.415 1.086 -10.200 1.00 2.19 C ATOM 225 O GLU A 15 77.353 1.147 -10.787 1.00 2.08 O ATOM 226 CB GLU A 15 80.403 0.867 -11.725 1.00 3.01 C ATOM 227 CG GLU A 15 80.694 -0.478 -11.054 1.00 3.67 C ATOM 228 CD GLU A 15 81.460 -1.377 -12.026 1.00 4.32 C ATOM 229 OE1 GLU A 15 81.808 -0.900 -13.095 1.00 4.98 O ATOM 230 OE2 GLU A 15 81.683 -2.527 -11.687 1.00 4.51 O ATOM 0 H GLU A 15 81.495 1.483 -9.683 1.00 2.73 H new ATOM 0 HA GLU A 15 79.335 2.702 -11.223 1.00 2.59 H new ATOM 0 HB2 GLU A 15 79.800 0.715 -12.620 1.00 3.01 H new ATOM 0 HB3 GLU A 15 81.335 1.335 -12.043 1.00 3.01 H new ATOM 0 HG2 GLU A 15 81.278 -0.325 -10.146 1.00 3.67 H new ATOM 0 HG3 GLU A 15 79.761 -0.957 -10.756 1.00 3.67 H new ATOM 237 N GLN A 16 78.533 0.427 -9.079 1.00 2.04 N ATOM 238 CA GLN A 16 77.349 -0.268 -8.495 1.00 1.73 C ATOM 239 C GLN A 16 76.420 0.747 -7.826 1.00 1.35 C ATOM 240 O GLN A 16 75.289 0.928 -8.232 1.00 1.17 O ATOM 241 CB GLN A 16 77.927 -1.232 -7.458 1.00 1.74 C ATOM 242 CG GLN A 16 76.787 -1.961 -6.745 1.00 2.16 C ATOM 243 CD GLN A 16 76.220 -3.044 -7.664 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.534 -3.088 -8.837 1.00 3.06 O ATOM 245 NE2 GLN A 16 75.390 -3.926 -7.178 1.00 2.19 N ATOM 0 H GLN A 16 79.396 0.340 -8.543 1.00 2.04 H new ATOM 0 HA GLN A 16 76.760 -0.789 -9.250 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.586 -1.952 -7.943 1.00 1.74 H new ATOM 0 HB3 GLN A 16 78.531 -0.685 -6.734 1.00 1.74 H new ATOM 0 HG2 GLN A 16 77.150 -2.408 -5.819 1.00 2.16 H new ATOM 0 HG3 GLN A 16 76.004 -1.254 -6.472 1.00 2.16 H new ATOM 0 HE21 GLN A 16 75.126 -3.890 -6.193 1.00 2.19 H new ATOM 0 HE22 GLN A 16 75.005 -4.652 -7.783 1.00 2.19 H new ATOM 254 N LYS A 17 76.888 1.413 -6.807 1.00 1.41 N ATOM 255 CA LYS A 17 76.030 2.418 -6.116 1.00 1.21 C ATOM 256 C LYS A 17 75.562 3.480 -7.113 1.00 1.08 C ATOM 257 O LYS A 17 74.501 4.054 -6.971 1.00 0.97 O ATOM 258 CB LYS A 17 76.932 3.042 -5.050 1.00 1.52 C ATOM 259 CG LYS A 17 78.177 3.633 -5.714 1.00 2.28 C ATOM 260 CD LYS A 17 79.360 3.546 -4.748 1.00 2.64 C ATOM 261 CE LYS A 17 79.980 4.934 -4.572 1.00 2.74 C ATOM 262 NZ LYS A 17 79.312 5.502 -3.368 1.00 2.91 N ATOM 0 H LYS A 17 77.827 1.305 -6.423 1.00 1.41 H new ATOM 0 HA LYS A 17 75.136 1.972 -5.681 1.00 1.21 H new ATOM 0 HB2 LYS A 17 76.391 3.820 -4.511 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.221 2.289 -4.317 1.00 1.52 H new ATOM 0 HG2 LYS A 17 78.404 3.092 -6.633 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.996 4.671 -5.992 1.00 2.28 H new ATOM 0 HD2 LYS A 17 79.028 3.160 -3.784 1.00 2.64 H new ATOM 0 HD3 LYS A 17 80.105 2.849 -5.131 1.00 2.64 H new ATOM 0 HE2 LYS A 17 81.059 4.870 -4.432 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.809 5.557 -5.450 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 79.684 6.455 -3.182 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 78.287 5.557 -3.533 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 79.498 4.891 -2.547 1.00 2.91 H new ATOM 276 N ASN A 18 76.345 3.744 -8.122 1.00 1.19 N ATOM 277 CA ASN A 18 75.943 4.766 -9.130 1.00 1.13 C ATOM 278 C ASN A 18 74.622 4.364 -9.786 1.00 0.92 C ATOM 279 O ASN A 18 73.720 5.165 -9.932 1.00 0.77 O ATOM 280 CB ASN A 18 77.074 4.777 -10.161 1.00 1.38 C ATOM 281 CG ASN A 18 78.039 5.921 -9.846 1.00 1.81 C ATOM 282 OD1 ASN A 18 77.619 7.016 -9.526 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.325 5.713 -9.923 1.00 2.51 N ATOM 0 H ASN A 18 77.246 3.297 -8.293 1.00 1.19 H new ATOM 0 HA ASN A 18 75.792 5.749 -8.684 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.604 3.825 -10.145 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.665 4.898 -11.164 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.977 6.469 -9.715 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.678 4.794 -10.191 1.00 2.51 H new ATOM 290 N GLU A 19 74.498 3.125 -10.179 1.00 1.02 N ATOM 291 CA GLU A 19 73.230 2.676 -10.819 1.00 0.98 C ATOM 292 C GLU A 19 72.053 2.928 -9.874 1.00 0.83 C ATOM 293 O GLU A 19 71.011 3.405 -10.277 1.00 0.82 O ATOM 294 CB GLU A 19 73.414 1.178 -11.064 1.00 1.25 C ATOM 295 CG GLU A 19 72.912 0.824 -12.464 1.00 1.54 C ATOM 296 CD GLU A 19 72.629 -0.678 -12.542 1.00 2.01 C ATOM 297 OE1 GLU A 19 71.543 -1.077 -12.156 1.00 2.60 O ATOM 298 OE2 GLU A 19 73.505 -1.402 -12.986 1.00 2.48 O ATOM 0 H GLU A 19 75.217 2.408 -10.085 1.00 1.02 H new ATOM 0 HA GLU A 19 73.019 3.212 -11.744 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.466 0.909 -10.965 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.867 0.606 -10.315 1.00 1.25 H new ATOM 0 HG2 GLU A 19 72.007 1.387 -12.690 1.00 1.54 H new ATOM 0 HG3 GLU A 19 73.656 1.104 -13.210 1.00 1.54 H new ATOM 305 N PHE A 20 72.216 2.618 -8.617 1.00 0.83 N ATOM 306 CA PHE A 20 71.110 2.848 -7.646 1.00 0.78 C ATOM 307 C PHE A 20 70.845 4.348 -7.509 1.00 0.69 C ATOM 308 O PHE A 20 69.786 4.766 -7.084 1.00 0.74 O ATOM 309 CB PHE A 20 71.612 2.266 -6.324 1.00 0.94 C ATOM 310 CG PHE A 20 71.525 0.759 -6.369 1.00 1.20 C ATOM 311 CD1 PHE A 20 70.306 0.119 -6.115 1.00 2.07 C ATOM 312 CD2 PHE A 20 72.665 0.001 -6.666 1.00 1.96 C ATOM 313 CE1 PHE A 20 70.227 -1.278 -6.157 1.00 2.93 C ATOM 314 CE2 PHE A 20 72.585 -1.395 -6.707 1.00 2.88 C ATOM 315 CZ PHE A 20 71.367 -2.036 -6.452 1.00 3.19 C ATOM 0 H PHE A 20 73.066 2.216 -8.221 1.00 0.83 H new ATOM 0 HA PHE A 20 70.175 2.384 -7.961 1.00 0.78 H new ATOM 0 HB2 PHE A 20 72.642 2.576 -6.146 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.016 2.650 -5.496 1.00 0.94 H new ATOM 0 HD1 PHE A 20 69.427 0.703 -5.887 1.00 2.07 H new ATOM 0 HD2 PHE A 20 73.605 0.494 -6.863 1.00 1.96 H new ATOM 0 HE1 PHE A 20 69.286 -1.771 -5.962 1.00 2.93 H new ATOM 0 HE2 PHE A 20 73.464 -1.979 -6.936 1.00 2.88 H new ATOM 0 HZ PHE A 20 71.306 -3.114 -6.483 1.00 3.19 H new ATOM 325 N LYS A 21 71.799 5.160 -7.874 1.00 0.73 N ATOM 326 CA LYS A 21 71.602 6.635 -7.772 1.00 0.83 C ATOM 327 C LYS A 21 70.435 7.063 -8.663 1.00 0.81 C ATOM 328 O LYS A 21 69.465 7.630 -8.202 1.00 0.97 O ATOM 329 CB LYS A 21 72.913 7.245 -8.271 1.00 1.00 C ATOM 330 CG LYS A 21 72.941 8.739 -7.941 1.00 1.37 C ATOM 331 CD LYS A 21 73.628 9.499 -9.078 1.00 1.81 C ATOM 332 CE LYS A 21 75.145 9.436 -8.891 1.00 2.52 C ATOM 333 NZ LYS A 21 75.711 9.763 -10.229 1.00 3.32 N ATOM 0 H LYS A 21 72.706 4.867 -8.238 1.00 0.73 H new ATOM 0 HA LYS A 21 71.367 6.957 -6.757 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.761 6.743 -7.804 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.008 7.098 -9.347 1.00 1.00 H new ATOM 0 HG2 LYS A 21 71.926 9.111 -7.802 1.00 1.37 H new ATOM 0 HG3 LYS A 21 73.473 8.906 -7.004 1.00 1.37 H new ATOM 0 HD2 LYS A 21 73.351 9.065 -10.039 1.00 1.81 H new ATOM 0 HD3 LYS A 21 73.295 10.537 -9.089 1.00 1.81 H new ATOM 0 HE2 LYS A 21 75.480 10.147 -8.136 1.00 2.52 H new ATOM 0 HE3 LYS A 21 75.461 8.447 -8.559 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.750 9.740 -10.182 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 75.381 9.065 -10.926 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 75.399 10.713 -10.515 1.00 3.32 H new ATOM 347 N ALA A 22 70.519 6.790 -9.937 1.00 0.78 N ATOM 348 CA ALA A 22 69.408 7.172 -10.852 1.00 0.87 C ATOM 349 C ALA A 22 68.107 6.513 -10.390 1.00 0.81 C ATOM 350 O ALA A 22 67.050 7.108 -10.427 1.00 0.83 O ATOM 351 CB ALA A 22 69.824 6.642 -12.225 1.00 0.97 C ATOM 0 H ALA A 22 71.307 6.320 -10.382 1.00 0.78 H new ATOM 0 HA ALA A 22 69.234 8.248 -10.871 1.00 0.87 H new ATOM 0 HB1 ALA A 22 69.054 6.885 -12.957 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.766 7.103 -12.523 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.949 5.560 -12.175 1.00 0.97 H new ATOM 357 N ALA A 23 68.183 5.287 -9.949 1.00 0.80 N ATOM 358 CA ALA A 23 66.955 4.586 -9.478 1.00 0.81 C ATOM 359 C ALA A 23 66.478 5.190 -8.156 1.00 0.74 C ATOM 360 O ALA A 23 65.295 5.328 -7.915 1.00 0.77 O ATOM 361 CB ALA A 23 67.382 3.131 -9.281 1.00 0.89 C ATOM 0 H ALA A 23 69.043 4.740 -9.895 1.00 0.80 H new ATOM 0 HA ALA A 23 66.130 4.676 -10.184 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.531 2.546 -8.933 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.739 2.725 -10.228 1.00 0.89 H new ATOM 0 HB3 ALA A 23 68.181 3.083 -8.541 1.00 0.89 H new ATOM 367 N PHE A 24 67.391 5.555 -7.297 1.00 0.71 N ATOM 368 CA PHE A 24 66.988 6.153 -5.992 1.00 0.72 C ATOM 369 C PHE A 24 66.085 7.366 -6.228 1.00 0.71 C ATOM 370 O PHE A 24 65.159 7.618 -5.484 1.00 0.73 O ATOM 371 CB PHE A 24 68.298 6.579 -5.327 1.00 0.82 C ATOM 372 CG PHE A 24 67.998 7.476 -4.149 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.798 8.848 -4.347 1.00 1.51 C ATOM 374 CD2 PHE A 24 67.917 6.936 -2.859 1.00 1.81 C ATOM 375 CE1 PHE A 24 67.518 9.680 -3.255 1.00 1.88 C ATOM 376 CE2 PHE A 24 67.638 7.769 -1.768 1.00 2.09 C ATOM 377 CZ PHE A 24 67.438 9.139 -1.967 1.00 1.85 C ATOM 0 H PHE A 24 68.397 5.465 -7.442 1.00 0.71 H new ATOM 0 HA PHE A 24 66.428 5.454 -5.371 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.853 5.701 -4.997 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.929 7.103 -6.045 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.860 9.265 -5.341 1.00 1.51 H new ATOM 0 HD2 PHE A 24 68.070 5.878 -2.706 1.00 1.81 H new ATOM 0 HE1 PHE A 24 67.364 10.738 -3.407 1.00 1.88 H new ATOM 0 HE2 PHE A 24 67.577 7.353 -0.773 1.00 2.09 H new ATOM 0 HZ PHE A 24 67.222 9.780 -1.125 1.00 1.85 H new ATOM 387 N ASP A 25 66.350 8.119 -7.261 1.00 0.81 N ATOM 388 CA ASP A 25 65.509 9.316 -7.548 1.00 0.97 C ATOM 389 C ASP A 25 64.124 8.889 -8.046 1.00 1.04 C ATOM 390 O ASP A 25 63.185 9.658 -8.030 1.00 1.23 O ATOM 391 CB ASP A 25 66.262 10.072 -8.646 1.00 1.18 C ATOM 392 CG ASP A 25 66.658 11.459 -8.135 1.00 1.57 C ATOM 393 OD1 ASP A 25 65.800 12.138 -7.595 1.00 1.98 O ATOM 394 OD2 ASP A 25 67.812 11.821 -8.295 1.00 2.18 O ATOM 0 H ASP A 25 67.113 7.957 -7.919 1.00 0.81 H new ATOM 0 HA ASP A 25 65.350 9.930 -6.661 1.00 0.97 H new ATOM 0 HB2 ASP A 25 67.151 9.515 -8.941 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.635 10.165 -9.533 1.00 1.18 H new ATOM 399 N ILE A 26 63.991 7.669 -8.494 1.00 0.99 N ATOM 400 CA ILE A 26 62.671 7.199 -8.996 1.00 1.18 C ATOM 401 C ILE A 26 61.808 6.678 -7.843 1.00 1.09 C ATOM 402 O ILE A 26 60.595 6.696 -7.906 1.00 1.23 O ATOM 403 CB ILE A 26 63.006 6.071 -9.965 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.094 6.554 -10.932 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.742 5.684 -10.737 1.00 1.60 C ATOM 406 CD1 ILE A 26 64.064 5.724 -12.216 1.00 1.61 C ATOM 0 H ILE A 26 64.741 6.979 -8.533 1.00 0.99 H new ATOM 0 HA ILE A 26 62.103 7.999 -9.471 1.00 1.18 H new ATOM 0 HB ILE A 26 63.371 5.199 -9.422 1.00 1.38 H new ATOM 0 HG12 ILE A 26 63.941 7.607 -11.167 1.00 1.55 H new ATOM 0 HG13 ILE A 26 65.073 6.472 -10.460 1.00 1.55 H new ATOM 0 HG21 ILE A 26 61.973 4.877 -11.433 1.00 1.60 H new ATOM 0 HG22 ILE A 26 60.976 5.351 -10.037 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.376 6.548 -11.292 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.841 6.076 -12.895 1.00 1.61 H new ATOM 0 HD12 ILE A 26 64.240 4.675 -11.976 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.090 5.828 -12.694 1.00 1.61 H new ATOM 418 N PHE A 27 62.422 6.212 -6.790 1.00 0.94 N ATOM 419 CA PHE A 27 61.631 5.690 -5.641 1.00 0.95 C ATOM 420 C PHE A 27 61.145 6.853 -4.770 1.00 0.79 C ATOM 421 O PHE A 27 60.327 6.681 -3.888 1.00 0.87 O ATOM 422 CB PHE A 27 62.602 4.801 -4.860 1.00 1.05 C ATOM 423 CG PHE A 27 63.397 3.946 -5.820 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.774 3.389 -6.945 1.00 1.67 C ATOM 425 CD2 PHE A 27 64.758 3.712 -5.586 1.00 1.97 C ATOM 426 CE1 PHE A 27 63.513 2.599 -7.834 1.00 1.91 C ATOM 427 CE2 PHE A 27 65.496 2.922 -6.477 1.00 2.24 C ATOM 428 CZ PHE A 27 64.873 2.365 -7.600 1.00 1.91 C ATOM 0 H PHE A 27 63.435 6.170 -6.676 1.00 0.94 H new ATOM 0 HA PHE A 27 60.747 5.139 -5.961 1.00 0.95 H new ATOM 0 HB2 PHE A 27 63.275 5.417 -4.264 1.00 1.05 H new ATOM 0 HB3 PHE A 27 62.051 4.168 -4.165 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.725 3.569 -7.126 1.00 1.67 H new ATOM 0 HD2 PHE A 27 65.238 4.141 -4.719 1.00 1.97 H new ATOM 0 HE1 PHE A 27 63.033 2.170 -8.701 1.00 1.91 H new ATOM 0 HE2 PHE A 27 66.546 2.743 -6.297 1.00 2.24 H new ATOM 0 HZ PHE A 27 65.442 1.755 -8.286 1.00 1.91 H new ATOM 438 N VAL A 28 61.644 8.035 -5.011 1.00 0.76 N ATOM 439 CA VAL A 28 61.218 9.208 -4.203 1.00 0.78 C ATOM 440 C VAL A 28 60.214 10.059 -4.987 1.00 0.97 C ATOM 441 O VAL A 28 59.915 11.177 -4.618 1.00 1.39 O ATOM 442 CB VAL A 28 62.503 9.995 -3.964 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.459 9.170 -3.101 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.167 10.301 -5.307 1.00 1.34 C ATOM 0 H VAL A 28 62.332 8.237 -5.737 1.00 0.76 H new ATOM 0 HA VAL A 28 60.729 8.916 -3.274 1.00 0.78 H new ATOM 0 HB VAL A 28 62.266 10.927 -3.451 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.376 9.735 -2.932 1.00 1.33 H new ATOM 0 HG12 VAL A 28 62.987 8.950 -2.144 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.697 8.237 -3.612 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.085 10.863 -5.139 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.402 9.367 -5.818 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.488 10.891 -5.923 1.00 1.34 H new ATOM 454 N LEU A 29 59.698 9.542 -6.068 1.00 1.11 N ATOM 455 CA LEU A 29 58.721 10.327 -6.876 1.00 1.39 C ATOM 456 C LEU A 29 57.552 10.789 -6.003 1.00 1.56 C ATOM 457 O LEU A 29 56.519 10.152 -5.946 1.00 1.98 O ATOM 458 CB LEU A 29 58.232 9.362 -7.957 1.00 1.45 C ATOM 459 CG LEU A 29 59.285 9.256 -9.062 1.00 1.71 C ATOM 460 CD1 LEU A 29 59.057 7.972 -9.864 1.00 2.28 C ATOM 461 CD2 LEU A 29 59.169 10.464 -9.995 1.00 2.41 C ATOM 0 H LEU A 29 59.910 8.611 -6.427 1.00 1.11 H new ATOM 0 HA LEU A 29 59.170 11.224 -7.301 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.044 8.380 -7.524 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.288 9.713 -8.373 1.00 1.45 H new ATOM 0 HG LEU A 29 60.279 9.235 -8.614 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.807 7.897 -10.651 1.00 2.28 H new ATOM 0 HD12 LEU A 29 59.138 7.110 -9.202 1.00 2.28 H new ATOM 0 HD13 LEU A 29 58.063 7.994 -10.311 1.00 2.28 H new ATOM 0 HD21 LEU A 29 59.919 10.389 -10.782 1.00 2.41 H new ATOM 0 HD22 LEU A 29 58.175 10.485 -10.442 1.00 2.41 H new ATOM 0 HD23 LEU A 29 59.330 11.380 -9.426 1.00 2.41 H new ATOM 473 N GLY A 30 57.702 11.895 -5.324 1.00 1.92 N ATOM 474 CA GLY A 30 56.593 12.396 -4.461 1.00 2.16 C ATOM 475 C GLY A 30 57.124 12.712 -3.061 1.00 1.95 C ATOM 476 O GLY A 30 56.391 13.148 -2.195 1.00 2.01 O ATOM 0 H GLY A 30 58.543 12.472 -5.330 1.00 1.92 H new ATOM 0 HA2 GLY A 30 56.152 13.290 -4.903 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.802 11.648 -4.399 1.00 2.16 H new ATOM 480 N ALA A 31 58.389 12.498 -2.829 1.00 1.94 N ATOM 481 CA ALA A 31 58.955 12.791 -1.481 1.00 1.87 C ATOM 482 C ALA A 31 58.998 14.304 -1.243 1.00 2.03 C ATOM 483 O ALA A 31 58.931 15.089 -2.168 1.00 2.28 O ATOM 484 CB ALA A 31 60.370 12.213 -1.510 1.00 1.50 C ATOM 0 H ALA A 31 59.054 12.134 -3.511 1.00 1.94 H new ATOM 0 HA ALA A 31 58.355 12.360 -0.679 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.855 12.389 -0.550 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.321 11.141 -1.701 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.944 12.696 -2.300 1.00 1.50 H new ATOM 490 N GLU A 32 59.106 14.719 -0.010 1.00 2.22 N ATOM 491 CA GLU A 32 59.150 16.180 0.283 1.00 2.52 C ATOM 492 C GLU A 32 60.516 16.757 -0.099 1.00 2.19 C ATOM 493 O GLU A 32 60.642 17.924 -0.414 1.00 2.44 O ATOM 494 CB GLU A 32 58.920 16.290 1.791 1.00 3.02 C ATOM 495 CG GLU A 32 60.134 15.733 2.538 1.00 3.65 C ATOM 496 CD GLU A 32 60.095 16.199 3.995 1.00 4.03 C ATOM 497 OE1 GLU A 32 59.163 16.906 4.345 1.00 4.40 O ATOM 498 OE2 GLU A 32 60.996 15.842 4.735 1.00 4.34 O ATOM 0 H GLU A 32 59.166 14.110 0.806 1.00 2.22 H new ATOM 0 HA GLU A 32 58.403 16.737 -0.283 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.756 17.331 2.069 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.023 15.739 2.073 1.00 3.02 H new ATOM 0 HG2 GLU A 32 60.134 14.644 2.493 1.00 3.65 H new ATOM 0 HG3 GLU A 32 61.054 16.071 2.061 1.00 3.65 H new ATOM 505 N ASP A 33 61.540 15.949 -0.071 1.00 1.88 N ATOM 506 CA ASP A 33 62.897 16.452 -0.431 1.00 1.82 C ATOM 507 C ASP A 33 63.566 15.506 -1.432 1.00 1.49 C ATOM 508 O ASP A 33 64.319 15.926 -2.288 1.00 1.70 O ATOM 509 CB ASP A 33 63.673 16.473 0.886 1.00 2.02 C ATOM 510 CG ASP A 33 63.888 15.040 1.375 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.940 14.273 1.336 1.00 2.98 O ATOM 512 OD2 ASP A 33 64.997 14.734 1.782 1.00 2.79 O ATOM 0 H ASP A 33 61.496 14.963 0.185 1.00 1.88 H new ATOM 0 HA ASP A 33 62.861 17.435 -0.900 1.00 1.82 H new ATOM 0 HB2 ASP A 33 64.634 16.969 0.746 1.00 2.02 H new ATOM 0 HB3 ASP A 33 63.125 17.045 1.634 1.00 2.02 H new ATOM 517 N GLY A 34 63.296 14.233 -1.333 1.00 1.25 N ATOM 518 CA GLY A 34 63.917 13.263 -2.280 1.00 1.06 C ATOM 519 C GLY A 34 64.305 11.989 -1.527 1.00 0.97 C ATOM 520 O GLY A 34 65.331 11.392 -1.785 1.00 1.19 O ATOM 0 H GLY A 34 62.673 13.823 -0.638 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.219 13.025 -3.083 1.00 1.06 H new ATOM 0 HA3 GLY A 34 64.798 13.706 -2.745 1.00 1.06 H new ATOM 524 N CYS A 35 63.490 11.569 -0.599 1.00 0.83 N ATOM 525 CA CYS A 35 63.809 10.333 0.172 1.00 0.79 C ATOM 526 C CYS A 35 62.895 9.187 -0.269 1.00 0.72 C ATOM 527 O CYS A 35 61.867 9.402 -0.881 1.00 0.75 O ATOM 528 CB CYS A 35 63.543 10.698 1.632 1.00 0.83 C ATOM 529 SG CYS A 35 64.839 11.816 2.219 1.00 1.87 S ATOM 0 H CYS A 35 62.616 12.028 -0.341 1.00 0.83 H new ATOM 0 HA CYS A 35 64.835 10.001 0.015 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.567 11.174 1.727 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.520 9.797 2.245 1.00 0.83 H new ATOM 0 HG CYS A 35 65.725 11.140 2.888 1.00 1.87 H new ATOM 535 N ILE A 36 63.259 7.972 0.035 1.00 0.68 N ATOM 536 CA ILE A 36 62.405 6.817 -0.371 1.00 0.69 C ATOM 537 C ILE A 36 61.681 6.249 0.854 1.00 0.78 C ATOM 538 O ILE A 36 62.240 5.489 1.620 1.00 0.91 O ATOM 539 CB ILE A 36 63.361 5.767 -0.961 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.600 6.441 -1.562 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.637 4.992 -2.063 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.513 5.379 -2.177 1.00 0.76 C ATOM 0 H ILE A 36 64.108 7.728 0.545 1.00 0.68 H new ATOM 0 HA ILE A 36 61.646 7.112 -1.095 1.00 0.69 H new ATOM 0 HB ILE A 36 63.675 5.093 -0.164 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.301 7.163 -2.322 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.136 6.994 -0.791 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.310 4.246 -2.485 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.762 4.496 -1.644 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.322 5.682 -2.846 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.393 5.859 -2.604 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.822 4.674 -1.405 1.00 0.76 H new ATOM 0 HD13 ILE A 36 64.975 4.846 -2.961 1.00 0.76 H new ATOM 554 N SER A 37 60.443 6.616 1.045 1.00 0.79 N ATOM 555 CA SER A 37 59.685 6.100 2.221 1.00 0.91 C ATOM 556 C SER A 37 59.608 4.571 2.175 1.00 0.85 C ATOM 557 O SER A 37 59.779 3.963 1.137 1.00 0.92 O ATOM 558 CB SER A 37 58.291 6.711 2.091 1.00 1.09 C ATOM 559 OG SER A 37 58.377 7.926 1.360 1.00 1.94 O ATOM 0 H SER A 37 59.924 7.250 0.438 1.00 0.79 H new ATOM 0 HA SER A 37 60.160 6.364 3.166 1.00 0.91 H new ATOM 0 HB2 SER A 37 57.622 6.015 1.584 1.00 1.09 H new ATOM 0 HB3 SER A 37 57.869 6.897 3.079 1.00 1.09 H new ATOM 0 HG SER A 37 57.484 8.320 1.273 1.00 1.94 H new ATOM 565 N THR A 38 59.350 3.947 3.292 1.00 0.88 N ATOM 566 CA THR A 38 59.262 2.459 3.310 1.00 1.02 C ATOM 567 C THR A 38 58.025 1.994 2.536 1.00 1.13 C ATOM 568 O THR A 38 58.056 1.002 1.835 1.00 1.48 O ATOM 569 CB THR A 38 59.144 2.083 4.789 1.00 1.12 C ATOM 570 OG1 THR A 38 57.848 2.424 5.259 1.00 1.47 O ATOM 571 CG2 THR A 38 60.198 2.842 5.595 1.00 1.25 C ATOM 0 H THR A 38 59.197 4.402 4.192 1.00 0.88 H new ATOM 0 HA THR A 38 60.126 1.989 2.840 1.00 1.02 H new ATOM 0 HB THR A 38 59.303 1.011 4.907 1.00 1.12 H new ATOM 0 HG1 THR A 38 57.769 2.183 6.206 1.00 1.47 H new ATOM 0 HG21 THR A 38 60.113 2.574 6.648 1.00 1.25 H new ATOM 0 HG22 THR A 38 61.192 2.580 5.232 1.00 1.25 H new ATOM 0 HG23 THR A 38 60.041 3.915 5.480 1.00 1.25 H new ATOM 579 N LYS A 39 56.937 2.704 2.658 1.00 1.09 N ATOM 580 CA LYS A 39 55.699 2.303 1.930 1.00 1.33 C ATOM 581 C LYS A 39 55.916 2.412 0.417 1.00 1.20 C ATOM 582 O LYS A 39 55.308 1.703 -0.360 1.00 1.45 O ATOM 583 CB LYS A 39 54.630 3.297 2.389 1.00 1.57 C ATOM 584 CG LYS A 39 53.255 2.629 2.335 1.00 2.27 C ATOM 585 CD LYS A 39 52.163 3.690 2.491 1.00 2.86 C ATOM 586 CE LYS A 39 51.266 3.330 3.677 1.00 3.52 C ATOM 587 NZ LYS A 39 50.072 2.678 3.070 1.00 4.37 N ATOM 0 H LYS A 39 56.851 3.544 3.230 1.00 1.09 H new ATOM 0 HA LYS A 39 55.414 1.272 2.138 1.00 1.33 H new ATOM 0 HB2 LYS A 39 54.843 3.634 3.404 1.00 1.57 H new ATOM 0 HB3 LYS A 39 54.642 4.181 1.751 1.00 1.57 H new ATOM 0 HG2 LYS A 39 53.132 2.102 1.389 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.169 1.885 3.127 1.00 2.27 H new ATOM 0 HD2 LYS A 39 52.613 4.670 2.647 1.00 2.86 H new ATOM 0 HD3 LYS A 39 51.570 3.753 1.579 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.775 2.658 4.368 1.00 3.52 H new ATOM 0 HE3 LYS A 39 50.986 4.218 4.244 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 49.408 2.401 3.821 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 49.604 3.344 2.422 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 50.369 1.833 2.542 1.00 4.37 H new ATOM 601 N GLU A 40 56.779 3.295 -0.005 1.00 0.96 N ATOM 602 CA GLU A 40 57.034 3.448 -1.466 1.00 0.95 C ATOM 603 C GLU A 40 58.213 2.571 -1.896 1.00 0.84 C ATOM 604 O GLU A 40 58.777 2.751 -2.957 1.00 0.95 O ATOM 605 CB GLU A 40 57.372 4.926 -1.655 1.00 1.08 C ATOM 606 CG GLU A 40 56.613 5.473 -2.865 1.00 1.33 C ATOM 607 CD GLU A 40 56.798 6.989 -2.941 1.00 1.85 C ATOM 608 OE1 GLU A 40 57.816 7.466 -2.467 1.00 1.99 O ATOM 609 OE2 GLU A 40 55.919 7.647 -3.472 1.00 2.70 O ATOM 0 H GLU A 40 57.318 3.917 0.598 1.00 0.96 H new ATOM 0 HA GLU A 40 56.177 3.143 -2.067 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.105 5.488 -0.760 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.445 5.049 -1.800 1.00 1.08 H new ATOM 0 HG2 GLU A 40 56.979 5.005 -3.779 1.00 1.33 H new ATOM 0 HG3 GLU A 40 55.554 5.229 -2.784 1.00 1.33 H new ATOM 616 N LEU A 41 58.588 1.623 -1.082 1.00 0.81 N ATOM 617 CA LEU A 41 59.730 0.737 -1.449 1.00 0.75 C ATOM 618 C LEU A 41 59.212 -0.624 -1.922 1.00 0.77 C ATOM 619 O LEU A 41 59.838 -1.292 -2.721 1.00 0.77 O ATOM 620 CB LEU A 41 60.541 0.585 -0.162 1.00 0.82 C ATOM 621 CG LEU A 41 61.875 1.319 -0.311 1.00 0.89 C ATOM 622 CD1 LEU A 41 62.765 1.013 0.896 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.573 0.854 -1.590 1.00 1.20 C ATOM 0 H LEU A 41 58.155 1.423 -0.181 1.00 0.81 H new ATOM 0 HA LEU A 41 60.329 1.148 -2.262 1.00 0.75 H new ATOM 0 HB2 LEU A 41 59.983 0.990 0.682 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.716 -0.470 0.048 1.00 0.82 H new ATOM 0 HG LEU A 41 61.694 2.392 -0.365 1.00 0.89 H new ATOM 0 HD11 LEU A 41 63.715 1.536 0.789 1.00 1.10 H new ATOM 0 HD12 LEU A 41 62.268 1.345 1.808 1.00 1.10 H new ATOM 0 HD13 LEU A 41 62.946 -0.060 0.952 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.523 1.377 -1.696 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.753 -0.220 -1.536 1.00 1.20 H new ATOM 0 HD23 LEU A 41 61.940 1.073 -2.450 1.00 1.20 H new ATOM 635 N GLY A 42 58.074 -1.038 -1.437 1.00 0.88 N ATOM 636 CA GLY A 42 57.519 -2.354 -1.863 1.00 1.02 C ATOM 637 C GLY A 42 57.415 -2.389 -3.388 1.00 0.99 C ATOM 638 O GLY A 42 57.966 -3.255 -4.037 1.00 1.11 O ATOM 0 H GLY A 42 57.505 -0.523 -0.765 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.160 -3.163 -1.512 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.537 -2.509 -1.416 1.00 1.02 H new ATOM 642 N LYS A 43 56.713 -1.452 -3.965 1.00 0.91 N ATOM 643 CA LYS A 43 56.580 -1.433 -5.449 1.00 1.00 C ATOM 644 C LYS A 43 57.963 -1.324 -6.096 1.00 0.84 C ATOM 645 O LYS A 43 58.161 -1.710 -7.231 1.00 0.89 O ATOM 646 CB LYS A 43 55.741 -0.192 -5.756 1.00 1.12 C ATOM 647 CG LYS A 43 56.507 1.062 -5.327 1.00 1.32 C ATOM 648 CD LYS A 43 55.941 2.281 -6.059 1.00 1.85 C ATOM 649 CE LYS A 43 57.043 2.932 -6.896 1.00 2.24 C ATOM 650 NZ LYS A 43 57.006 4.374 -6.525 1.00 2.80 N ATOM 0 H LYS A 43 56.227 -0.701 -3.474 1.00 0.91 H new ATOM 0 HA LYS A 43 56.117 -2.340 -5.837 1.00 1.00 H new ATOM 0 HB2 LYS A 43 55.516 -0.147 -6.822 1.00 1.12 H new ATOM 0 HB3 LYS A 43 54.787 -0.246 -5.231 1.00 1.12 H new ATOM 0 HG2 LYS A 43 56.424 1.201 -4.249 1.00 1.32 H new ATOM 0 HG3 LYS A 43 57.567 0.949 -5.553 1.00 1.32 H new ATOM 0 HD2 LYS A 43 55.112 1.981 -6.700 1.00 1.85 H new ATOM 0 HD3 LYS A 43 55.544 2.998 -5.340 1.00 1.85 H new ATOM 0 HE2 LYS A 43 58.016 2.493 -6.677 1.00 2.24 H new ATOM 0 HE3 LYS A 43 56.863 2.794 -7.962 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 57.346 4.947 -7.324 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 56.030 4.648 -6.293 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 57.617 4.536 -5.699 1.00 2.80 H new ATOM 664 N VAL A 44 58.921 -0.801 -5.380 1.00 0.75 N ATOM 665 CA VAL A 44 60.294 -0.667 -5.948 1.00 0.68 C ATOM 666 C VAL A 44 61.027 -2.010 -5.878 1.00 0.68 C ATOM 667 O VAL A 44 61.556 -2.491 -6.861 1.00 0.76 O ATOM 668 CB VAL A 44 60.990 0.367 -5.065 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.469 0.451 -5.444 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.333 1.734 -5.268 1.00 1.70 C ATOM 0 H VAL A 44 58.812 -0.460 -4.425 1.00 0.75 H new ATOM 0 HA VAL A 44 60.279 -0.365 -6.995 1.00 0.68 H new ATOM 0 HB VAL A 44 60.900 0.071 -4.020 1.00 0.72 H new ATOM 0 HG11 VAL A 44 62.965 1.189 -4.813 1.00 1.10 H new ATOM 0 HG12 VAL A 44 62.937 -0.523 -5.300 1.00 1.10 H new ATOM 0 HG13 VAL A 44 62.561 0.747 -6.489 1.00 1.10 H new ATOM 0 HG21 VAL A 44 60.829 2.473 -4.638 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.423 2.029 -6.313 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.279 1.675 -4.997 1.00 1.70 H new ATOM 680 N MET A 45 61.063 -2.617 -4.724 1.00 0.79 N ATOM 681 CA MET A 45 61.763 -3.927 -4.595 1.00 0.99 C ATOM 682 C MET A 45 61.416 -4.823 -5.785 1.00 1.03 C ATOM 683 O MET A 45 62.249 -5.545 -6.294 1.00 1.16 O ATOM 684 CB MET A 45 61.241 -4.530 -3.292 1.00 1.26 C ATOM 685 CG MET A 45 61.796 -3.740 -2.106 1.00 1.54 C ATOM 686 SD MET A 45 63.452 -4.348 -1.696 1.00 2.11 S ATOM 687 CE MET A 45 64.296 -2.747 -1.720 1.00 1.74 C ATOM 0 H MET A 45 60.639 -2.264 -3.866 1.00 0.79 H new ATOM 0 HA MET A 45 62.848 -3.821 -4.583 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.151 -4.508 -3.279 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.539 -5.576 -3.218 1.00 1.26 H new ATOM 0 HG2 MET A 45 61.837 -2.678 -2.350 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.135 -3.844 -1.245 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.368 -2.899 -1.595 1.00 1.74 H new ATOM 0 HE2 MET A 45 64.109 -2.251 -2.673 1.00 1.74 H new ATOM 0 HE3 MET A 45 63.920 -2.125 -0.907 1.00 1.74 H new ATOM 697 N ARG A 46 60.191 -4.779 -6.236 1.00 1.05 N ATOM 698 CA ARG A 46 59.798 -5.623 -7.399 1.00 1.22 C ATOM 699 C ARG A 46 60.637 -5.240 -8.621 1.00 1.26 C ATOM 700 O ARG A 46 61.082 -6.085 -9.372 1.00 1.51 O ATOM 701 CB ARG A 46 58.321 -5.311 -7.636 1.00 1.28 C ATOM 702 CG ARG A 46 57.504 -5.747 -6.418 1.00 1.46 C ATOM 703 CD ARG A 46 56.250 -6.494 -6.883 1.00 1.98 C ATOM 704 NE ARG A 46 55.875 -7.366 -5.734 1.00 2.34 N ATOM 705 CZ ARG A 46 54.665 -7.317 -5.246 1.00 2.82 C ATOM 706 NH1 ARG A 46 54.365 -6.435 -4.333 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.756 -8.151 -5.670 1.00 3.26 N ATOM 0 H ARG A 46 59.448 -4.197 -5.850 1.00 1.05 H new ATOM 0 HA ARG A 46 59.959 -6.686 -7.219 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.188 -4.244 -7.813 1.00 1.28 H new ATOM 0 HB3 ARG A 46 57.968 -5.829 -8.528 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.105 -6.390 -5.775 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.223 -4.877 -5.825 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.446 -5.801 -7.132 1.00 1.98 H new ATOM 0 HD3 ARG A 46 56.450 -7.084 -7.778 1.00 1.98 H new ATOM 0 HE ARG A 46 56.563 -8.001 -5.329 1.00 2.34 H new ATOM 0 HH11 ARG A 46 55.076 -5.783 -4.000 1.00 3.34 H new ATOM 0 HH12 ARG A 46 53.420 -6.397 -3.952 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.990 -8.842 -6.383 1.00 3.26 H new ATOM 0 HH22 ARG A 46 52.811 -8.112 -5.289 1.00 3.26 H new ATOM 721 N MET A 47 60.862 -3.969 -8.819 1.00 1.11 N ATOM 722 CA MET A 47 61.682 -3.531 -9.985 1.00 1.26 C ATOM 723 C MET A 47 63.117 -4.037 -9.825 1.00 1.19 C ATOM 724 O MET A 47 63.595 -4.839 -10.603 1.00 1.31 O ATOM 725 CB MET A 47 61.647 -2.002 -9.947 1.00 1.28 C ATOM 726 CG MET A 47 60.231 -1.512 -10.258 1.00 1.46 C ATOM 727 SD MET A 47 60.075 0.224 -9.772 1.00 1.99 S ATOM 728 CE MET A 47 61.424 0.867 -10.794 1.00 2.19 C ATOM 0 H MET A 47 60.514 -3.216 -8.225 1.00 1.11 H new ATOM 0 HA MET A 47 61.303 -3.920 -10.930 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.958 -1.646 -8.965 1.00 1.28 H new ATOM 0 HB3 MET A 47 62.351 -1.594 -10.672 1.00 1.28 H new ATOM 0 HG2 MET A 47 60.021 -1.623 -11.322 1.00 1.46 H new ATOM 0 HG3 MET A 47 59.499 -2.118 -9.724 1.00 1.46 H new ATOM 0 HE1 MET A 47 61.305 1.943 -10.919 1.00 2.19 H new ATOM 0 HE2 MET A 47 62.378 0.661 -10.309 1.00 2.19 H new ATOM 0 HE3 MET A 47 61.402 0.384 -11.771 1.00 2.19 H new ATOM 738 N LEU A 48 63.806 -3.577 -8.816 1.00 1.09 N ATOM 739 CA LEU A 48 65.209 -4.034 -8.598 1.00 1.18 C ATOM 740 C LEU A 48 65.287 -5.560 -8.697 1.00 1.51 C ATOM 741 O LEU A 48 65.797 -6.103 -9.657 1.00 1.89 O ATOM 742 CB LEU A 48 65.561 -3.571 -7.183 1.00 1.18 C ATOM 743 CG LEU A 48 65.700 -2.049 -7.162 1.00 1.35 C ATOM 744 CD1 LEU A 48 66.282 -1.613 -5.817 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.635 -1.606 -8.290 1.00 1.70 C ATOM 0 H LEU A 48 63.458 -2.904 -8.133 1.00 1.09 H new ATOM 0 HA LEU A 48 65.896 -3.630 -9.342 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.787 -3.885 -6.483 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.492 -4.036 -6.858 1.00 1.18 H new ATOM 0 HG LEU A 48 64.721 -1.591 -7.302 1.00 1.35 H new ATOM 0 HD11 LEU A 48 66.383 -0.528 -5.799 1.00 2.05 H new ATOM 0 HD12 LEU A 48 65.617 -1.930 -5.013 1.00 2.05 H new ATOM 0 HD13 LEU A 48 67.262 -2.070 -5.679 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.734 -0.521 -8.275 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.615 -2.062 -8.150 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.222 -1.920 -9.249 1.00 1.70 H new ATOM 757 N GLY A 49 64.786 -6.255 -7.711 1.00 1.56 N ATOM 758 CA GLY A 49 64.833 -7.744 -7.752 1.00 1.97 C ATOM 759 C GLY A 49 64.554 -8.306 -6.356 1.00 1.69 C ATOM 760 O GLY A 49 65.147 -9.281 -5.939 1.00 1.87 O ATOM 0 H GLY A 49 64.347 -5.856 -6.881 1.00 1.56 H new ATOM 0 HA2 GLY A 49 64.096 -8.122 -8.461 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.810 -8.077 -8.100 1.00 1.97 H new ATOM 764 N GLN A 50 63.653 -7.703 -5.630 1.00 1.38 N ATOM 765 CA GLN A 50 63.337 -8.208 -4.263 1.00 1.26 C ATOM 766 C GLN A 50 61.842 -8.522 -4.148 1.00 1.19 C ATOM 767 O GLN A 50 61.077 -8.287 -5.063 1.00 1.25 O ATOM 768 CB GLN A 50 63.722 -7.068 -3.319 1.00 1.39 C ATOM 769 CG GLN A 50 65.240 -7.055 -3.122 1.00 1.69 C ATOM 770 CD GLN A 50 65.912 -6.441 -4.350 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.251 -5.889 -5.206 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.209 -6.515 -4.474 1.00 2.76 N ATOM 0 H GLN A 50 63.122 -6.883 -5.924 1.00 1.38 H new ATOM 0 HA GLN A 50 63.873 -9.128 -4.028 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.390 -6.114 -3.730 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.222 -7.193 -2.359 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.496 -6.482 -2.231 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.605 -8.070 -2.965 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.764 -6.979 -3.755 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.667 -6.109 -5.290 1.00 2.76 H new ATOM 781 N ASN A 51 61.419 -9.055 -3.033 1.00 1.22 N ATOM 782 CA ASN A 51 59.973 -9.384 -2.865 1.00 1.29 C ATOM 783 C ASN A 51 59.574 -9.292 -1.390 1.00 1.25 C ATOM 784 O ASN A 51 59.037 -10.228 -0.831 1.00 1.41 O ATOM 785 CB ASN A 51 59.833 -10.821 -3.369 1.00 1.54 C ATOM 786 CG ASN A 51 58.526 -10.965 -4.150 1.00 1.88 C ATOM 787 OD1 ASN A 51 58.539 -11.196 -5.343 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.388 -10.838 -3.524 1.00 2.57 N ATOM 0 H ASN A 51 62.011 -9.277 -2.232 1.00 1.22 H new ATOM 0 HA ASN A 51 59.328 -8.695 -3.410 1.00 1.29 H new ATOM 0 HB2 ASN A 51 60.679 -11.078 -4.006 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.845 -11.515 -2.528 1.00 1.54 H new ATOM 0 HD21 ASN A 51 56.511 -10.933 -4.036 1.00 2.57 H new ATOM 0 HD22 ASN A 51 57.376 -10.644 -2.523 1.00 2.57 H new ATOM 795 N PRO A 52 59.851 -8.158 -0.807 1.00 1.15 N ATOM 796 CA PRO A 52 59.519 -7.931 0.620 1.00 1.20 C ATOM 797 C PRO A 52 58.016 -7.692 0.790 1.00 1.33 C ATOM 798 O PRO A 52 57.324 -7.336 -0.143 1.00 1.45 O ATOM 799 CB PRO A 52 60.310 -6.678 0.977 1.00 1.19 C ATOM 800 CG PRO A 52 60.507 -5.956 -0.320 1.00 1.20 C ATOM 801 CD PRO A 52 60.496 -6.991 -1.416 1.00 1.14 C ATOM 0 HA PRO A 52 59.765 -8.781 1.256 1.00 1.20 H new ATOM 0 HB2 PRO A 52 59.768 -6.061 1.693 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.266 -6.933 1.435 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.715 -5.223 -0.476 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.451 -5.410 -0.316 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.943 -6.641 -2.288 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.506 -7.225 -1.752 1.00 1.14 H new ATOM 809 N THR A 53 57.508 -7.882 1.977 1.00 1.39 N ATOM 810 CA THR A 53 56.051 -7.664 2.211 1.00 1.58 C ATOM 811 C THR A 53 55.822 -6.298 2.865 1.00 1.47 C ATOM 812 O THR A 53 56.762 -5.611 3.210 1.00 1.27 O ATOM 813 CB THR A 53 55.634 -8.790 3.157 1.00 1.77 C ATOM 814 OG1 THR A 53 56.784 -9.302 3.817 1.00 1.69 O ATOM 815 CG2 THR A 53 54.963 -9.909 2.357 1.00 1.97 C ATOM 0 H THR A 53 58.039 -8.179 2.796 1.00 1.39 H new ATOM 0 HA THR A 53 55.474 -7.673 1.286 1.00 1.58 H new ATOM 0 HB THR A 53 54.932 -8.403 3.896 1.00 1.77 H new ATOM 0 HG1 THR A 53 56.518 -10.023 4.425 1.00 1.69 H new ATOM 0 HG21 THR A 53 54.666 -10.711 3.032 1.00 1.97 H new ATOM 0 HG22 THR A 53 54.081 -9.516 1.851 1.00 1.97 H new ATOM 0 HG23 THR A 53 55.663 -10.298 1.617 1.00 1.97 H new ATOM 823 N PRO A 54 54.572 -5.950 3.014 1.00 1.64 N ATOM 824 CA PRO A 54 54.212 -4.650 3.635 1.00 1.63 C ATOM 825 C PRO A 54 54.526 -4.665 5.134 1.00 1.55 C ATOM 826 O PRO A 54 54.740 -3.637 5.743 1.00 1.47 O ATOM 827 CB PRO A 54 52.709 -4.540 3.389 1.00 1.92 C ATOM 828 CG PRO A 54 52.242 -5.951 3.226 1.00 2.08 C ATOM 829 CD PRO A 54 53.388 -6.724 2.626 1.00 1.93 C ATOM 0 HA PRO A 54 54.768 -3.808 3.222 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.207 -4.051 4.224 1.00 1.92 H new ATOM 0 HB3 PRO A 54 52.497 -3.948 2.499 1.00 1.92 H new ATOM 0 HG2 PRO A 54 51.951 -6.375 4.187 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.366 -5.996 2.580 1.00 2.08 H new ATOM 0 HD2 PRO A 54 53.431 -7.742 3.014 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.296 -6.799 1.542 1.00 1.93 H new ATOM 837 N GLU A 55 54.560 -5.825 5.731 1.00 1.61 N ATOM 838 CA GLU A 55 54.865 -5.903 7.189 1.00 1.58 C ATOM 839 C GLU A 55 56.380 -5.867 7.408 1.00 1.42 C ATOM 840 O GLU A 55 56.872 -5.222 8.313 1.00 1.36 O ATOM 841 CB GLU A 55 54.288 -7.244 7.644 1.00 1.74 C ATOM 842 CG GLU A 55 54.829 -7.590 9.032 1.00 2.16 C ATOM 843 CD GLU A 55 55.843 -8.730 8.917 1.00 2.56 C ATOM 844 OE1 GLU A 55 55.844 -9.395 7.894 1.00 3.10 O ATOM 845 OE2 GLU A 55 56.600 -8.921 9.855 1.00 2.83 O ATOM 0 H GLU A 55 54.390 -6.721 5.274 1.00 1.61 H new ATOM 0 HA GLU A 55 54.441 -5.069 7.748 1.00 1.58 H new ATOM 0 HB2 GLU A 55 53.199 -7.193 7.669 1.00 1.74 H new ATOM 0 HB3 GLU A 55 54.555 -8.026 6.933 1.00 1.74 H new ATOM 0 HG2 GLU A 55 55.300 -6.714 9.479 1.00 2.16 H new ATOM 0 HG3 GLU A 55 54.011 -7.882 9.690 1.00 2.16 H new ATOM 852 N GLU A 56 57.123 -6.552 6.583 1.00 1.38 N ATOM 853 CA GLU A 56 58.607 -6.556 6.738 1.00 1.26 C ATOM 854 C GLU A 56 59.192 -5.232 6.240 1.00 1.14 C ATOM 855 O GLU A 56 60.098 -4.681 6.834 1.00 1.07 O ATOM 856 CB GLU A 56 59.095 -7.713 5.867 1.00 1.32 C ATOM 857 CG GLU A 56 59.680 -8.812 6.757 1.00 2.10 C ATOM 858 CD GLU A 56 59.866 -10.090 5.936 1.00 2.79 C ATOM 859 OE1 GLU A 56 59.355 -10.139 4.829 1.00 3.18 O ATOM 860 OE2 GLU A 56 60.516 -10.997 6.429 1.00 3.40 O ATOM 0 H GLU A 56 56.767 -7.110 5.807 1.00 1.38 H new ATOM 0 HA GLU A 56 58.912 -6.671 7.778 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.270 -8.110 5.276 1.00 1.32 H new ATOM 0 HB3 GLU A 56 59.849 -7.360 5.164 1.00 1.32 H new ATOM 0 HG2 GLU A 56 60.636 -8.490 7.169 1.00 2.10 H new ATOM 0 HG3 GLU A 56 59.017 -9.003 7.601 1.00 2.10 H new ATOM 867 N LEU A 57 58.680 -4.723 5.153 1.00 1.17 N ATOM 868 CA LEU A 57 59.202 -3.436 4.606 1.00 1.13 C ATOM 869 C LEU A 57 59.486 -2.450 5.742 1.00 1.06 C ATOM 870 O LEU A 57 60.621 -2.115 6.014 1.00 1.02 O ATOM 871 CB LEU A 57 58.084 -2.908 3.707 1.00 1.24 C ATOM 872 CG LEU A 57 58.344 -3.337 2.262 1.00 1.41 C ATOM 873 CD1 LEU A 57 57.075 -3.127 1.432 1.00 1.93 C ATOM 874 CD2 LEU A 57 59.480 -2.495 1.678 1.00 1.87 C ATOM 0 H LEU A 57 57.920 -5.143 4.618 1.00 1.17 H new ATOM 0 HA LEU A 57 60.137 -3.569 4.062 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.121 -3.292 4.043 1.00 1.24 H new ATOM 0 HB3 LEU A 57 58.034 -1.821 3.771 1.00 1.24 H new ATOM 0 HG LEU A 57 58.623 -4.390 2.239 1.00 1.41 H new ATOM 0 HD11 LEU A 57 57.259 -3.432 0.402 1.00 1.93 H new ATOM 0 HD12 LEU A 57 56.265 -3.725 1.848 1.00 1.93 H new ATOM 0 HD13 LEU A 57 56.796 -2.073 1.454 1.00 1.93 H new ATOM 0 HD21 LEU A 57 59.666 -2.800 0.648 1.00 1.87 H new ATOM 0 HD22 LEU A 57 59.201 -1.442 1.700 1.00 1.87 H new ATOM 0 HD23 LEU A 57 60.384 -2.643 2.269 1.00 1.87 H new ATOM 886 N GLN A 58 58.466 -1.983 6.406 1.00 1.09 N ATOM 887 CA GLN A 58 58.683 -1.021 7.523 1.00 1.08 C ATOM 888 C GLN A 58 59.687 -1.597 8.524 1.00 1.04 C ATOM 889 O GLN A 58 60.512 -0.889 9.069 1.00 1.05 O ATOM 890 CB GLN A 58 57.311 -0.855 8.177 1.00 1.15 C ATOM 891 CG GLN A 58 57.279 0.449 8.979 1.00 1.39 C ATOM 892 CD GLN A 58 58.464 0.488 9.945 1.00 1.62 C ATOM 893 OE1 GLN A 58 59.391 1.392 9.783 1.00 2.20 O flip ATOM 894 NE2 GLN A 58 58.547 -0.311 10.856 1.00 1.88 N flip ATOM 0 H GLN A 58 57.492 -2.225 6.224 1.00 1.09 H new ATOM 0 HA GLN A 58 59.086 -0.069 7.177 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.532 -0.844 7.414 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.104 -1.702 8.832 1.00 1.15 H new ATOM 0 HG2 GLN A 58 57.319 1.304 8.304 1.00 1.39 H new ATOM 0 HG3 GLN A 58 56.343 0.524 9.533 1.00 1.39 H new ATOM 0 HE21 GLN A 58 57.822 -1.017 10.982 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.341 -0.275 11.495 1.00 1.88 H new ATOM 903 N GLU A 59 59.622 -2.875 8.772 1.00 1.07 N ATOM 904 CA GLU A 59 60.570 -3.497 9.740 1.00 1.09 C ATOM 905 C GLU A 59 61.985 -3.525 9.156 1.00 1.07 C ATOM 906 O GLU A 59 62.904 -2.947 9.702 1.00 1.08 O ATOM 907 CB GLU A 59 60.046 -4.918 9.947 1.00 1.17 C ATOM 908 CG GLU A 59 60.977 -5.673 10.897 1.00 1.28 C ATOM 909 CD GLU A 59 60.230 -6.861 11.507 1.00 1.84 C ATOM 910 OE1 GLU A 59 59.808 -7.721 10.752 1.00 2.48 O ATOM 911 OE2 GLU A 59 60.092 -6.889 12.719 1.00 2.18 O ATOM 0 H GLU A 59 58.953 -3.517 8.346 1.00 1.07 H new ATOM 0 HA GLU A 59 60.627 -2.942 10.676 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.037 -4.888 10.358 1.00 1.17 H new ATOM 0 HB3 GLU A 59 59.986 -5.438 8.991 1.00 1.17 H new ATOM 0 HG2 GLU A 59 61.858 -6.022 10.359 1.00 1.28 H new ATOM 0 HG3 GLU A 59 61.328 -5.007 11.685 1.00 1.28 H new ATOM 918 N MET A 60 62.167 -4.193 8.050 1.00 1.08 N ATOM 919 CA MET A 60 63.524 -4.259 7.433 1.00 1.09 C ATOM 920 C MET A 60 64.159 -2.866 7.402 1.00 1.10 C ATOM 921 O MET A 60 65.300 -2.686 7.779 1.00 1.47 O ATOM 922 CB MET A 60 63.289 -4.774 6.012 1.00 1.09 C ATOM 923 CG MET A 60 64.494 -5.602 5.563 1.00 1.42 C ATOM 924 SD MET A 60 63.925 -7.028 4.605 1.00 1.89 S ATOM 925 CE MET A 60 64.556 -8.313 5.711 1.00 1.71 C ATOM 0 H MET A 60 61.436 -4.696 7.547 1.00 1.08 H new ATOM 0 HA MET A 60 64.201 -4.904 7.993 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.385 -5.381 5.979 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.136 -3.937 5.331 1.00 1.09 H new ATOM 0 HG2 MET A 60 65.165 -4.990 4.960 1.00 1.42 H new ATOM 0 HG3 MET A 60 65.062 -5.937 6.431 1.00 1.42 H new ATOM 0 HE1 MET A 60 64.312 -9.295 5.305 1.00 1.71 H new ATOM 0 HE2 MET A 60 65.638 -8.217 5.801 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.099 -8.203 6.694 1.00 1.71 H new ATOM 935 N ILE A 61 63.429 -1.880 6.956 1.00 0.91 N ATOM 936 CA ILE A 61 63.995 -0.501 6.905 1.00 0.95 C ATOM 937 C ILE A 61 64.131 0.063 8.321 1.00 0.94 C ATOM 938 O ILE A 61 64.936 0.936 8.577 1.00 1.06 O ATOM 939 CB ILE A 61 62.984 0.315 6.100 1.00 1.03 C ATOM 940 CG1 ILE A 61 63.111 -0.038 4.617 1.00 1.35 C ATOM 941 CG2 ILE A 61 63.263 1.807 6.293 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.724 -0.330 4.043 1.00 1.56 C ATOM 0 H ILE A 61 62.468 -1.969 6.626 1.00 0.91 H new ATOM 0 HA ILE A 61 64.987 -0.478 6.454 1.00 0.95 H new ATOM 0 HB ILE A 61 61.976 0.086 6.445 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.575 0.786 4.074 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.758 -0.906 4.493 1.00 1.35 H new ATOM 0 HG21 ILE A 61 62.542 2.389 5.719 1.00 1.55 H new ATOM 0 HG22 ILE A 61 63.175 2.060 7.350 1.00 1.55 H new ATOM 0 HG23 ILE A 61 64.271 2.036 5.948 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.813 -0.582 2.986 1.00 1.56 H new ATOM 0 HD12 ILE A 61 61.277 -1.167 4.579 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.091 0.551 4.154 1.00 1.56 H new ATOM 954 N ASP A 62 63.352 -0.432 9.242 1.00 1.09 N ATOM 955 CA ASP A 62 63.437 0.075 10.640 1.00 1.09 C ATOM 956 C ASP A 62 64.706 -0.455 11.316 1.00 1.11 C ATOM 957 O ASP A 62 64.989 -0.143 12.455 1.00 1.24 O ATOM 958 CB ASP A 62 62.190 -0.472 11.335 1.00 1.22 C ATOM 959 CG ASP A 62 62.339 -0.312 12.850 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.028 0.759 13.345 1.00 1.91 O ATOM 961 OD2 ASP A 62 62.762 -1.261 13.488 1.00 1.87 O ATOM 0 H ASP A 62 62.660 -1.166 9.087 1.00 1.09 H new ATOM 0 HA ASP A 62 63.484 1.163 10.685 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.304 0.060 10.988 1.00 1.22 H new ATOM 0 HB3 ASP A 62 62.051 -1.523 11.081 1.00 1.22 H new ATOM 966 N GLU A 63 65.470 -1.254 10.622 1.00 1.18 N ATOM 967 CA GLU A 63 66.718 -1.802 11.227 1.00 1.31 C ATOM 968 C GLU A 63 67.930 -0.970 10.796 1.00 1.18 C ATOM 969 O GLU A 63 68.764 -0.610 11.603 1.00 1.41 O ATOM 970 CB GLU A 63 66.827 -3.228 10.687 1.00 1.50 C ATOM 971 CG GLU A 63 65.730 -4.094 11.310 1.00 1.93 C ATOM 972 CD GLU A 63 66.347 -5.381 11.864 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.695 -6.237 11.067 1.00 2.24 O ATOM 974 OE2 GLU A 63 66.460 -5.486 13.074 1.00 2.33 O ATOM 0 H GLU A 63 65.285 -1.551 9.664 1.00 1.18 H new ATOM 0 HA GLU A 63 66.691 -1.779 12.316 1.00 1.31 H new ATOM 0 HB2 GLU A 63 66.731 -3.226 9.601 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.808 -3.642 10.919 1.00 1.50 H new ATOM 0 HG2 GLU A 63 65.229 -3.546 12.108 1.00 1.93 H new ATOM 0 HG3 GLU A 63 64.973 -4.333 10.563 1.00 1.93 H new ATOM 981 N VAL A 64 68.038 -0.664 9.531 1.00 0.93 N ATOM 982 CA VAL A 64 69.202 0.142 9.061 1.00 0.92 C ATOM 983 C VAL A 64 68.937 1.634 9.282 1.00 0.95 C ATOM 984 O VAL A 64 69.851 2.430 9.370 1.00 1.37 O ATOM 985 CB VAL A 64 69.334 -0.177 7.568 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.167 0.438 6.793 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.651 0.398 7.041 1.00 1.51 C ATOM 0 H VAL A 64 67.374 -0.936 8.806 1.00 0.93 H new ATOM 0 HA VAL A 64 70.117 -0.096 9.604 1.00 0.92 H new ATOM 0 HB VAL A 64 69.321 -1.258 7.433 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.271 0.205 5.733 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.228 0.028 7.164 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.170 1.520 6.929 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.747 0.172 5.979 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.660 1.478 7.185 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.485 -0.047 7.584 1.00 1.51 H new ATOM 997 N ASP A 65 67.694 2.017 9.380 1.00 0.96 N ATOM 998 CA ASP A 65 67.370 3.455 9.602 1.00 1.02 C ATOM 999 C ASP A 65 67.552 3.811 11.080 1.00 1.06 C ATOM 1000 O ASP A 65 66.745 3.458 11.916 1.00 1.22 O ATOM 1001 CB ASP A 65 65.905 3.602 9.193 1.00 1.24 C ATOM 1002 CG ASP A 65 65.482 5.066 9.321 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.360 5.907 9.430 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.290 5.322 9.309 1.00 1.96 O ATOM 0 H ASP A 65 66.887 1.396 9.316 1.00 0.96 H new ATOM 0 HA ASP A 65 68.019 4.118 9.030 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.767 3.261 8.167 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.276 2.974 9.824 1.00 1.24 H new ATOM 1009 N GLU A 66 68.607 4.504 11.408 1.00 1.15 N ATOM 1010 CA GLU A 66 68.838 4.877 12.834 1.00 1.37 C ATOM 1011 C GLU A 66 68.522 6.358 13.054 1.00 1.34 C ATOM 1012 O GLU A 66 68.747 6.898 14.119 1.00 1.62 O ATOM 1013 CB GLU A 66 70.323 4.604 13.077 1.00 1.74 C ATOM 1014 CG GLU A 66 71.158 5.391 12.065 1.00 1.95 C ATOM 1015 CD GLU A 66 72.425 5.915 12.743 1.00 2.73 C ATOM 1016 OE1 GLU A 66 72.587 5.665 13.926 1.00 3.39 O ATOM 1017 OE2 GLU A 66 73.212 6.559 12.068 1.00 3.12 O ATOM 0 H GLU A 66 69.318 4.828 10.753 1.00 1.15 H new ATOM 0 HA GLU A 66 68.201 4.314 13.516 1.00 1.37 H new ATOM 0 HB2 GLU A 66 70.595 4.893 14.092 1.00 1.74 H new ATOM 0 HB3 GLU A 66 70.528 3.538 12.983 1.00 1.74 H new ATOM 0 HG2 GLU A 66 71.422 4.753 11.222 1.00 1.95 H new ATOM 0 HG3 GLU A 66 70.576 6.222 11.666 1.00 1.95 H new ATOM 1024 N ASP A 67 68.004 7.020 12.055 1.00 1.42 N ATOM 1025 CA ASP A 67 67.676 8.467 12.212 1.00 1.67 C ATOM 1026 C ASP A 67 66.254 8.635 12.755 1.00 1.70 C ATOM 1027 O ASP A 67 65.848 9.717 13.129 1.00 2.12 O ATOM 1028 CB ASP A 67 67.785 9.052 10.804 1.00 2.50 C ATOM 1029 CG ASP A 67 69.067 8.551 10.137 1.00 3.17 C ATOM 1030 OD1 ASP A 67 70.131 8.806 10.678 1.00 3.83 O ATOM 1031 OD2 ASP A 67 68.963 7.919 9.099 1.00 3.45 O ATOM 0 H ASP A 67 67.794 6.623 11.139 1.00 1.42 H new ATOM 0 HA ASP A 67 68.343 8.966 12.915 1.00 1.67 H new ATOM 0 HB2 ASP A 67 66.918 8.762 10.211 1.00 2.50 H new ATOM 0 HB3 ASP A 67 67.789 10.141 10.851 1.00 2.50 H new ATOM 1036 N GLY A 68 65.493 7.574 12.799 1.00 1.77 N ATOM 1037 CA GLY A 68 64.099 7.681 13.315 1.00 2.43 C ATOM 1038 C GLY A 68 63.293 8.612 12.408 1.00 2.01 C ATOM 1039 O GLY A 68 62.378 9.281 12.845 1.00 2.65 O ATOM 0 H GLY A 68 65.776 6.641 12.501 1.00 1.77 H new ATOM 0 HA2 GLY A 68 63.635 6.695 13.348 1.00 2.43 H new ATOM 0 HA3 GLY A 68 64.105 8.065 14.335 1.00 2.43 H new ATOM 1043 N SER A 69 63.629 8.661 11.148 1.00 1.59 N ATOM 1044 CA SER A 69 62.887 9.553 10.210 1.00 1.99 C ATOM 1045 C SER A 69 61.767 8.776 9.512 1.00 1.42 C ATOM 1046 O SER A 69 60.711 9.308 9.233 1.00 1.97 O ATOM 1047 CB SER A 69 63.934 10.014 9.197 1.00 2.89 C ATOM 1048 OG SER A 69 64.382 8.895 8.444 1.00 3.53 O ATOM 0 H SER A 69 64.385 8.122 10.727 1.00 1.59 H new ATOM 0 HA SER A 69 62.416 10.392 10.722 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.508 10.767 8.533 1.00 2.89 H new ATOM 0 HB3 SER A 69 64.774 10.481 9.711 1.00 2.89 H new ATOM 0 HG SER A 69 65.053 9.187 7.792 1.00 3.53 H new ATOM 1054 N GLY A 70 61.988 7.522 9.228 1.00 1.23 N ATOM 1055 CA GLY A 70 60.935 6.716 8.548 1.00 1.51 C ATOM 1056 C GLY A 70 61.184 6.719 7.038 1.00 1.28 C ATOM 1057 O GLY A 70 60.386 6.223 6.268 1.00 1.42 O ATOM 0 H GLY A 70 62.851 7.021 9.437 1.00 1.23 H new ATOM 0 HA2 GLY A 70 60.944 5.694 8.926 1.00 1.51 H new ATOM 0 HA3 GLY A 70 59.950 7.128 8.765 1.00 1.51 H new ATOM 1061 N THR A 71 62.284 7.275 6.608 1.00 1.12 N ATOM 1062 CA THR A 71 62.580 7.308 5.147 1.00 0.98 C ATOM 1063 C THR A 71 63.964 6.714 4.872 1.00 0.88 C ATOM 1064 O THR A 71 64.871 6.834 5.671 1.00 0.92 O ATOM 1065 CB THR A 71 62.546 8.788 4.767 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.038 9.563 5.852 1.00 1.83 O ATOM 1067 CG2 THR A 71 61.108 9.202 4.452 1.00 1.34 C ATOM 0 H THR A 71 62.990 7.707 7.204 1.00 1.12 H new ATOM 0 HA THR A 71 61.864 6.723 4.569 1.00 0.98 H new ATOM 0 HB THR A 71 63.169 8.954 3.888 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.019 10.513 5.611 1.00 1.83 H new ATOM 0 HG21 THR A 71 61.084 10.258 4.181 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.731 8.606 3.621 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.482 9.038 5.329 1.00 1.34 H new ATOM 1075 N VAL A 72 64.131 6.076 3.748 1.00 0.83 N ATOM 1076 CA VAL A 72 65.456 5.476 3.420 1.00 0.76 C ATOM 1077 C VAL A 72 66.285 6.460 2.590 1.00 0.68 C ATOM 1078 O VAL A 72 65.976 6.737 1.449 1.00 0.72 O ATOM 1079 CB VAL A 72 65.135 4.222 2.603 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.355 3.300 2.580 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.953 3.483 3.236 1.00 1.02 C ATOM 0 H VAL A 72 63.408 5.943 3.041 1.00 0.83 H new ATOM 0 HA VAL A 72 66.036 5.241 4.312 1.00 0.76 H new ATOM 0 HB VAL A 72 64.878 4.513 1.585 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.126 2.407 1.998 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.197 3.822 2.126 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.613 3.012 3.599 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.727 2.591 2.652 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.208 3.194 4.256 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.081 4.137 3.252 1.00 1.02 H new ATOM 1091 N ASP A 73 67.333 6.994 3.156 1.00 0.72 N ATOM 1092 CA ASP A 73 68.176 7.962 2.397 1.00 0.76 C ATOM 1093 C ASP A 73 69.267 7.220 1.621 1.00 0.83 C ATOM 1094 O ASP A 73 69.582 6.083 1.909 1.00 1.49 O ATOM 1095 CB ASP A 73 68.801 8.866 3.460 1.00 0.98 C ATOM 1096 CG ASP A 73 67.695 9.522 4.290 1.00 1.30 C ATOM 1097 OD1 ASP A 73 66.999 10.366 3.750 1.00 1.89 O ATOM 1098 OD2 ASP A 73 67.563 9.168 5.449 1.00 1.99 O ATOM 0 H ASP A 73 67.642 6.803 4.109 1.00 0.72 H new ATOM 0 HA ASP A 73 67.595 8.529 1.669 1.00 0.76 H new ATOM 0 HB2 ASP A 73 69.458 8.284 4.106 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.416 9.631 2.986 1.00 0.98 H new ATOM 1103 N PHE A 74 69.844 7.855 0.638 1.00 0.67 N ATOM 1104 CA PHE A 74 70.913 7.185 -0.154 1.00 0.64 C ATOM 1105 C PHE A 74 71.867 6.431 0.776 1.00 0.73 C ATOM 1106 O PHE A 74 72.382 5.384 0.437 1.00 0.87 O ATOM 1107 CB PHE A 74 71.647 8.321 -0.867 1.00 0.79 C ATOM 1108 CG PHE A 74 72.464 7.755 -2.004 1.00 0.86 C ATOM 1109 CD1 PHE A 74 71.840 7.000 -3.004 1.00 1.68 C ATOM 1110 CD2 PHE A 74 73.843 7.985 -2.058 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.596 6.474 -4.058 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.599 7.460 -3.111 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.976 6.704 -4.112 1.00 1.20 C ATOM 0 H PHE A 74 69.622 8.808 0.349 1.00 0.67 H new ATOM 0 HA PHE A 74 70.511 6.455 -0.856 1.00 0.64 H new ATOM 0 HB2 PHE A 74 70.931 9.050 -1.247 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.295 8.847 -0.166 1.00 0.79 H new ATOM 0 HD1 PHE A 74 70.775 6.823 -2.962 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.324 8.568 -1.286 1.00 1.33 H new ATOM 0 HE1 PHE A 74 72.115 5.891 -4.829 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.663 7.638 -3.152 1.00 1.45 H new ATOM 0 HZ PHE A 74 74.560 6.299 -4.925 1.00 1.20 H new ATOM 1123 N ASP A 75 72.105 6.956 1.947 1.00 0.94 N ATOM 1124 CA ASP A 75 73.025 6.271 2.901 1.00 1.11 C ATOM 1125 C ASP A 75 72.369 4.997 3.444 1.00 0.90 C ATOM 1126 O ASP A 75 72.919 3.918 3.354 1.00 0.94 O ATOM 1127 CB ASP A 75 73.250 7.282 4.025 1.00 1.45 C ATOM 1128 CG ASP A 75 74.493 6.891 4.826 1.00 2.16 C ATOM 1129 OD1 ASP A 75 74.975 5.786 4.635 1.00 2.66 O ATOM 1130 OD2 ASP A 75 74.944 7.704 5.617 1.00 2.78 O ATOM 0 H ASP A 75 71.702 7.830 2.285 1.00 0.94 H new ATOM 0 HA ASP A 75 73.961 5.969 2.431 1.00 1.11 H new ATOM 0 HB2 ASP A 75 73.373 8.282 3.609 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.379 7.314 4.679 1.00 1.45 H new ATOM 1135 N GLU A 76 71.199 5.116 4.009 1.00 0.81 N ATOM 1136 CA GLU A 76 70.509 3.912 4.559 1.00 0.76 C ATOM 1137 C GLU A 76 70.016 3.018 3.420 1.00 0.62 C ATOM 1138 O GLU A 76 69.998 1.808 3.530 1.00 0.61 O ATOM 1139 CB GLU A 76 69.326 4.464 5.354 1.00 0.93 C ATOM 1140 CG GLU A 76 69.840 5.315 6.516 1.00 1.09 C ATOM 1141 CD GLU A 76 68.730 6.257 6.988 1.00 1.59 C ATOM 1142 OE1 GLU A 76 67.755 5.766 7.531 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.875 7.453 6.796 1.00 2.25 O ATOM 0 H GLU A 76 70.690 5.994 4.114 1.00 0.81 H new ATOM 0 HA GLU A 76 71.170 3.304 5.177 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.687 5.064 4.706 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.715 3.644 5.733 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.161 4.673 7.337 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.711 5.890 6.202 1.00 1.09 H new ATOM 1150 N PHE A 77 69.610 3.605 2.327 1.00 0.59 N ATOM 1151 CA PHE A 77 69.110 2.790 1.182 1.00 0.57 C ATOM 1152 C PHE A 77 70.152 1.743 0.773 1.00 0.59 C ATOM 1153 O PHE A 77 69.828 0.598 0.526 1.00 0.71 O ATOM 1154 CB PHE A 77 68.886 3.794 0.050 1.00 0.62 C ATOM 1155 CG PHE A 77 68.291 3.086 -1.144 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.908 2.867 -1.211 1.00 1.42 C ATOM 1157 CD2 PHE A 77 69.119 2.647 -2.183 1.00 1.51 C ATOM 1158 CE1 PHE A 77 66.356 2.211 -2.318 1.00 1.60 C ATOM 1159 CE2 PHE A 77 68.567 1.991 -3.290 1.00 1.76 C ATOM 1160 CZ PHE A 77 67.185 1.773 -3.357 1.00 1.37 C ATOM 0 H PHE A 77 69.603 4.614 2.177 1.00 0.59 H new ATOM 0 HA PHE A 77 68.200 2.245 1.433 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.220 4.590 0.383 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.830 4.263 -0.226 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.268 3.204 -0.409 1.00 1.42 H new ATOM 0 HD2 PHE A 77 70.185 2.814 -2.131 1.00 1.51 H new ATOM 0 HE1 PHE A 77 65.290 2.043 -2.370 1.00 1.60 H new ATOM 0 HE2 PHE A 77 69.207 1.653 -4.092 1.00 1.76 H new ATOM 0 HZ PHE A 77 66.759 1.267 -4.211 1.00 1.37 H new ATOM 1170 N LEU A 78 71.398 2.124 0.697 1.00 0.57 N ATOM 1171 CA LEU A 78 72.453 1.146 0.299 1.00 0.62 C ATOM 1172 C LEU A 78 72.676 0.118 1.412 1.00 0.61 C ATOM 1173 O LEU A 78 72.612 -1.075 1.189 1.00 0.68 O ATOM 1174 CB LEU A 78 73.715 1.986 0.085 1.00 0.66 C ATOM 1175 CG LEU A 78 73.831 2.381 -1.389 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.168 3.086 -1.626 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.758 1.126 -2.263 1.00 1.34 C ATOM 0 H LEU A 78 71.732 3.068 0.893 1.00 0.57 H new ATOM 0 HA LEU A 78 72.177 0.588 -0.596 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.678 2.879 0.709 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.595 1.420 0.390 1.00 0.66 H new ATOM 0 HG LEU A 78 73.013 3.053 -1.648 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.250 3.367 -2.676 1.00 1.10 H new ATOM 0 HD12 LEU A 78 75.223 3.981 -1.006 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.985 2.413 -1.366 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.841 1.408 -3.313 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.575 0.453 -2.003 1.00 1.34 H new ATOM 0 HD23 LEU A 78 72.806 0.622 -2.097 1.00 1.34 H new ATOM 1189 N VAL A 79 72.937 0.570 2.609 1.00 0.64 N ATOM 1190 CA VAL A 79 73.167 -0.383 3.732 1.00 0.68 C ATOM 1191 C VAL A 79 72.076 -1.458 3.747 1.00 0.78 C ATOM 1192 O VAL A 79 72.315 -2.592 4.113 1.00 0.92 O ATOM 1193 CB VAL A 79 73.090 0.470 4.998 1.00 0.73 C ATOM 1194 CG1 VAL A 79 73.270 -0.423 6.226 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.198 1.525 4.968 1.00 0.91 C ATOM 0 H VAL A 79 73.001 1.557 2.857 1.00 0.64 H new ATOM 0 HA VAL A 79 74.123 -0.900 3.644 1.00 0.68 H new ATOM 0 HB VAL A 79 72.119 0.963 5.047 1.00 0.73 H new ATOM 0 HG11 VAL A 79 73.215 0.185 7.129 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.482 -1.176 6.247 1.00 1.15 H new ATOM 0 HG13 VAL A 79 74.241 -0.915 6.179 1.00 1.15 H new ATOM 0 HG21 VAL A 79 74.145 2.134 5.870 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.169 1.032 4.920 1.00 0.91 H new ATOM 0 HG23 VAL A 79 74.071 2.161 4.092 1.00 0.91 H new ATOM 1205 N MET A 80 70.881 -1.111 3.356 1.00 0.82 N ATOM 1206 CA MET A 80 69.779 -2.114 3.352 1.00 0.93 C ATOM 1207 C MET A 80 70.032 -3.182 2.284 1.00 0.92 C ATOM 1208 O MET A 80 69.845 -4.359 2.516 1.00 0.99 O ATOM 1209 CB MET A 80 68.517 -1.316 3.025 1.00 1.04 C ATOM 1210 CG MET A 80 67.531 -1.421 4.190 1.00 1.05 C ATOM 1211 SD MET A 80 66.172 -0.250 3.937 1.00 1.64 S ATOM 1212 CE MET A 80 65.458 -1.047 2.478 1.00 1.27 C ATOM 0 H MET A 80 70.620 -0.177 3.039 1.00 0.82 H new ATOM 0 HA MET A 80 69.696 -2.636 4.305 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.771 -0.272 2.843 1.00 1.04 H new ATOM 0 HB3 MET A 80 68.059 -1.697 2.112 1.00 1.04 H new ATOM 0 HG2 MET A 80 67.142 -2.437 4.261 1.00 1.05 H new ATOM 0 HG3 MET A 80 68.039 -1.208 5.131 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.390 -0.834 2.433 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.943 -0.664 1.580 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.610 -2.124 2.541 1.00 1.27 H new ATOM 1222 N MET A 81 70.455 -2.782 1.116 1.00 0.86 N ATOM 1223 CA MET A 81 70.717 -3.780 0.040 1.00 0.88 C ATOM 1224 C MET A 81 71.919 -4.653 0.412 1.00 0.90 C ATOM 1225 O MET A 81 71.859 -5.865 0.353 1.00 1.04 O ATOM 1226 CB MET A 81 71.019 -2.952 -1.209 1.00 0.86 C ATOM 1227 CG MET A 81 69.768 -2.883 -2.087 1.00 0.97 C ATOM 1228 SD MET A 81 69.378 -1.152 -2.448 1.00 1.31 S ATOM 1229 CE MET A 81 67.809 -1.446 -3.300 1.00 0.93 C ATOM 0 H MET A 81 70.630 -1.810 0.861 1.00 0.86 H new ATOM 0 HA MET A 81 69.872 -4.451 -0.115 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.334 -1.948 -0.926 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.843 -3.399 -1.765 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.931 -3.431 -3.015 1.00 0.97 H new ATOM 0 HG3 MET A 81 68.928 -3.358 -1.580 1.00 0.97 H new ATOM 0 HE1 MET A 81 67.738 -0.791 -4.168 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.761 -2.485 -3.625 1.00 0.93 H new ATOM 0 HE3 MET A 81 66.982 -1.239 -2.621 1.00 0.93 H new ATOM 1239 N VAL A 82 73.007 -4.046 0.798 1.00 0.81 N ATOM 1240 CA VAL A 82 74.208 -4.845 1.177 1.00 0.87 C ATOM 1241 C VAL A 82 73.832 -5.882 2.238 1.00 0.93 C ATOM 1242 O VAL A 82 74.530 -6.856 2.443 1.00 1.06 O ATOM 1243 CB VAL A 82 75.199 -3.828 1.742 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.529 -3.023 2.857 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.416 -4.561 2.307 1.00 1.38 C ATOM 0 H VAL A 82 73.117 -3.034 0.868 1.00 0.81 H new ATOM 0 HA VAL A 82 74.628 -5.392 0.333 1.00 0.87 H new ATOM 0 HB VAL A 82 75.516 -3.153 0.947 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.237 -2.298 3.259 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.661 -2.499 2.456 1.00 1.12 H new ATOM 0 HG13 VAL A 82 74.210 -3.698 3.652 1.00 1.12 H new ATOM 0 HG21 VAL A 82 77.123 -3.836 2.710 1.00 1.38 H new ATOM 0 HG22 VAL A 82 76.098 -5.237 3.101 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.896 -5.134 1.514 1.00 1.38 H new ATOM 1255 N ARG A 83 72.731 -5.684 2.912 1.00 0.92 N ATOM 1256 CA ARG A 83 72.309 -6.661 3.957 1.00 1.06 C ATOM 1257 C ARG A 83 71.517 -7.805 3.317 1.00 1.17 C ATOM 1258 O ARG A 83 71.658 -8.953 3.688 1.00 1.35 O ATOM 1259 CB ARG A 83 71.417 -5.863 4.910 1.00 1.12 C ATOM 1260 CG ARG A 83 72.287 -5.087 5.899 1.00 1.21 C ATOM 1261 CD ARG A 83 71.412 -4.534 7.026 1.00 1.42 C ATOM 1262 NE ARG A 83 71.512 -5.539 8.121 1.00 1.54 N ATOM 1263 CZ ARG A 83 70.667 -5.508 9.118 1.00 1.90 C ATOM 1264 NH1 ARG A 83 69.812 -4.527 9.223 1.00 2.73 N ATOM 1265 NH2 ARG A 83 70.679 -6.463 10.010 1.00 1.93 N ATOM 0 H ARG A 83 72.106 -4.888 2.784 1.00 0.92 H new ATOM 0 HA ARG A 83 73.159 -7.108 4.473 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.789 -5.174 4.345 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.749 -6.536 5.448 1.00 1.12 H new ATOM 0 HG2 ARG A 83 73.058 -5.738 6.310 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.798 -4.271 5.388 1.00 1.21 H new ATOM 0 HD2 ARG A 83 71.763 -3.556 7.355 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.380 -4.408 6.699 1.00 1.42 H new ATOM 0 HE ARG A 83 72.241 -6.252 8.093 1.00 1.54 H new ATOM 0 HH11 ARG A 83 69.802 -3.782 8.526 1.00 2.73 H new ATOM 0 HH12 ARG A 83 69.154 -4.505 10.002 1.00 2.73 H new ATOM 0 HH21 ARG A 83 71.346 -7.230 9.927 1.00 1.93 H new ATOM 0 HH22 ARG A 83 70.021 -6.442 10.789 1.00 1.93 H new ATOM 1279 N CYS A 84 70.683 -7.498 2.361 1.00 1.21 N ATOM 1280 CA CYS A 84 69.879 -8.566 1.700 1.00 1.46 C ATOM 1281 C CYS A 84 70.751 -9.377 0.737 1.00 1.52 C ATOM 1282 O CYS A 84 70.326 -10.381 0.201 1.00 1.97 O ATOM 1283 CB CYS A 84 68.786 -7.822 0.934 1.00 1.72 C ATOM 1284 SG CYS A 84 67.356 -7.571 2.014 1.00 2.58 S ATOM 0 H CYS A 84 70.523 -6.554 2.009 1.00 1.21 H new ATOM 0 HA CYS A 84 69.467 -9.272 2.420 1.00 1.46 H new ATOM 0 HB2 CYS A 84 69.163 -6.861 0.583 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.493 -8.391 0.052 1.00 1.72 H new ATOM 0 HG CYS A 84 66.427 -6.936 1.363 1.00 2.58 H new ATOM 1290 N MET A 85 71.964 -8.954 0.512 1.00 1.31 N ATOM 1291 CA MET A 85 72.852 -9.709 -0.418 1.00 1.51 C ATOM 1292 C MET A 85 74.138 -10.129 0.302 1.00 1.66 C ATOM 1293 O MET A 85 75.004 -10.761 -0.272 1.00 2.46 O ATOM 1294 CB MET A 85 73.158 -8.735 -1.559 1.00 1.47 C ATOM 1295 CG MET A 85 74.232 -7.736 -1.117 1.00 1.57 C ATOM 1296 SD MET A 85 74.699 -6.694 -2.521 1.00 1.89 S ATOM 1297 CE MET A 85 73.516 -5.361 -2.213 1.00 1.57 C ATOM 0 H MET A 85 72.378 -8.121 0.930 1.00 1.31 H new ATOM 0 HA MET A 85 72.385 -10.623 -0.785 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.499 -9.285 -2.436 1.00 1.47 H new ATOM 0 HB3 MET A 85 72.251 -8.204 -1.848 1.00 1.47 H new ATOM 0 HG2 MET A 85 73.856 -7.119 -0.301 1.00 1.57 H new ATOM 0 HG3 MET A 85 75.105 -8.268 -0.738 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.221 -4.910 -3.161 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.635 -5.764 -1.714 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.978 -4.604 -1.579 1.00 1.57 H new ATOM 1307 N LYS A 86 74.268 -9.785 1.555 1.00 1.46 N ATOM 1308 CA LYS A 86 75.497 -10.167 2.309 1.00 1.86 C ATOM 1309 C LYS A 86 75.882 -11.612 1.989 1.00 2.10 C ATOM 1310 O LYS A 86 77.042 -11.973 1.999 1.00 2.77 O ATOM 1311 CB LYS A 86 75.117 -10.027 3.784 1.00 2.69 C ATOM 1312 CG LYS A 86 75.748 -8.757 4.356 1.00 3.47 C ATOM 1313 CD LYS A 86 76.616 -9.118 5.563 1.00 4.38 C ATOM 1314 CE LYS A 86 78.090 -8.908 5.214 1.00 5.10 C ATOM 1315 NZ LYS A 86 78.723 -8.447 6.481 1.00 5.92 N ATOM 0 H LYS A 86 73.578 -9.257 2.089 1.00 1.46 H new ATOM 0 HA LYS A 86 76.353 -9.544 2.049 1.00 1.86 H new ATOM 0 HB2 LYS A 86 74.033 -9.986 3.889 1.00 2.69 H new ATOM 0 HB3 LYS A 86 75.458 -10.899 4.343 1.00 2.69 H new ATOM 0 HG2 LYS A 86 76.352 -8.264 3.595 1.00 3.47 H new ATOM 0 HG3 LYS A 86 74.970 -8.053 4.651 1.00 3.47 H new ATOM 0 HD2 LYS A 86 76.343 -8.500 6.418 1.00 4.38 H new ATOM 0 HD3 LYS A 86 76.444 -10.155 5.851 1.00 4.38 H new ATOM 0 HE2 LYS A 86 78.547 -9.831 4.857 1.00 5.10 H new ATOM 0 HE3 LYS A 86 78.207 -8.168 4.422 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 79.737 -8.281 6.322 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 78.272 -7.563 6.793 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 78.602 -9.174 7.214 1.00 5.92 H new ATOM 1329 N ASP A 87 74.915 -12.442 1.703 1.00 2.49 N ATOM 1330 CA ASP A 87 75.227 -13.863 1.380 1.00 3.49 C ATOM 1331 C ASP A 87 76.097 -13.939 0.124 1.00 4.14 C ATOM 1332 O ASP A 87 76.082 -13.051 -0.707 1.00 4.30 O ATOM 1333 CB ASP A 87 73.869 -14.521 1.130 1.00 4.13 C ATOM 1334 CG ASP A 87 72.978 -14.348 2.362 1.00 5.17 C ATOM 1335 OD1 ASP A 87 72.725 -13.213 2.730 1.00 5.90 O ATOM 1336 OD2 ASP A 87 72.565 -15.353 2.915 1.00 5.51 O ATOM 0 H ASP A 87 73.925 -12.198 1.679 1.00 2.49 H new ATOM 0 HA ASP A 87 75.778 -14.357 2.180 1.00 3.49 H new ATOM 0 HB2 ASP A 87 73.392 -14.073 0.258 1.00 4.13 H new ATOM 0 HB3 ASP A 87 74.002 -15.581 0.911 1.00 4.13 H new ATOM 1341 N ASP A 88 76.852 -14.991 -0.024 1.00 4.97 N ATOM 1342 CA ASP A 88 77.720 -15.121 -1.228 1.00 5.97 C ATOM 1343 C ASP A 88 77.892 -16.596 -1.597 1.00 6.80 C ATOM 1344 O ASP A 88 78.958 -17.162 -1.457 1.00 7.43 O ATOM 1345 CB ASP A 88 79.060 -14.512 -0.819 1.00 6.65 C ATOM 1346 CG ASP A 88 79.934 -14.327 -2.060 1.00 6.90 C ATOM 1347 OD1 ASP A 88 79.840 -13.278 -2.675 1.00 7.19 O ATOM 1348 OD2 ASP A 88 80.683 -15.238 -2.374 1.00 7.08 O ATOM 0 H ASP A 88 76.906 -15.767 0.636 1.00 4.97 H new ATOM 0 HA ASP A 88 77.295 -14.622 -2.099 1.00 5.97 H new ATOM 0 HB2 ASP A 88 78.901 -13.553 -0.327 1.00 6.65 H new ATOM 0 HB3 ASP A 88 79.562 -15.160 -0.100 1.00 6.65 H new ATOM 1353 N SER A 89 76.850 -17.225 -2.066 1.00 7.04 N ATOM 1354 CA SER A 89 76.956 -18.664 -2.443 1.00 8.10 C ATOM 1355 C SER A 89 75.734 -19.089 -3.262 1.00 8.42 C ATOM 1356 O SER A 89 75.864 -20.020 -4.040 1.00 8.45 O ATOM 1357 CB SER A 89 76.998 -19.417 -1.114 1.00 8.54 C ATOM 1358 OG SER A 89 78.246 -20.087 -0.994 1.00 8.99 O ATOM 1359 OXT SER A 89 74.692 -18.477 -3.096 1.00 8.86 O ATOM 0 H SER A 89 75.930 -16.806 -2.205 1.00 7.04 H new ATOM 0 HA SER A 89 77.834 -18.867 -3.056 1.00 8.10 H new ATOM 0 HB2 SER A 89 76.864 -18.722 -0.285 1.00 8.54 H new ATOM 0 HB3 SER A 89 76.180 -20.136 -1.064 1.00 8.54 H new ATOM 0 HG SER A 89 78.975 -19.438 -1.077 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.560 7.510 7.758 1.00 0.00 CA