USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -0.259 K(o=0.93,f=-4.4!) USER MOD Set 1.2: A 61 SER OG : rot -36:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00783 (180deg=-0.237) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 101:sc= -1.65! USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= -0.0314 (180deg=-0.185) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.152 USER MOD Single : A 11 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0.934 K(o=0.93,f=-4.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -170:sc= -1.98 (180deg=-2.36) USER MOD Single : A 31 MET CE :methyl 177:sc= -3.45! (180deg=-3.72!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -66:sc= 0.903 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.169 K(o=0.17,f=-1.2) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 69 MET CE :methyl 144:sc= -0.393 (180deg=-1.6!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.0338 F(o=-0.67,f=-0.034) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.043 6.888 11.926 1.00 1.40 N ATOM 2 CA MET A 1 -1.497 6.455 10.622 1.00 45.33 C ATOM 3 C MET A 1 -2.018 5.073 10.251 1.00 32.25 C ATOM 4 O MET A 1 -1.721 4.084 10.924 1.00 32.32 O ATOM 5 CB MET A 1 0.035 6.433 10.658 1.00 60.21 C ATOM 6 CG MET A 1 0.662 6.049 9.325 1.00 21.51 C ATOM 7 SD MET A 1 2.465 6.060 9.353 1.00 33.13 S ATOM 8 CE MET A 1 2.799 4.663 10.420 1.00 71.01 C ATOM 0 H1 MET A 1 -1.675 7.832 12.160 1.00 1.40 H new ATOM 0 H2 MET A 1 -3.081 6.924 11.873 1.00 1.40 H new ATOM 0 H3 MET A 1 -1.757 6.213 12.664 1.00 1.40 H new ATOM 0 HA MET A 1 -1.825 7.171 9.869 1.00 45.33 H new ATOM 0 HB2 MET A 1 0.399 7.417 10.953 1.00 60.21 H new ATOM 0 HB3 MET A 1 0.364 5.729 11.423 1.00 60.21 H new ATOM 0 HG2 MET A 1 0.316 5.055 9.042 1.00 21.51 H new ATOM 0 HG3 MET A 1 0.314 6.738 8.556 1.00 21.51 H new ATOM 0 HE1 MET A 1 3.850 4.386 10.339 1.00 71.01 H new ATOM 0 HE2 MET A 1 2.573 4.931 11.452 1.00 71.01 H new ATOM 0 HE3 MET A 1 2.178 3.819 10.120 1.00 71.01 H new ATOM 18 N PHE A 2 -2.800 5.005 9.184 1.00 74.21 N ATOM 19 CA PHE A 2 -3.243 3.726 8.665 1.00 62.32 C ATOM 20 C PHE A 2 -2.170 3.193 7.728 1.00 33.05 C ATOM 21 O PHE A 2 -1.968 3.718 6.638 1.00 12.14 O ATOM 22 CB PHE A 2 -4.584 3.868 7.938 1.00 74.23 C ATOM 23 CG PHE A 2 -5.260 2.559 7.641 1.00 52.43 C ATOM 24 CD1 PHE A 2 -4.971 1.855 6.484 1.00 33.10 C ATOM 25 CD2 PHE A 2 -6.191 2.034 8.524 1.00 42.42 C ATOM 26 CE1 PHE A 2 -5.596 0.654 6.212 1.00 55.05 C ATOM 27 CE2 PHE A 2 -6.820 0.833 8.257 1.00 31.21 C ATOM 28 CZ PHE A 2 -6.521 0.142 7.101 1.00 22.02 C ATOM 0 H PHE A 2 -3.137 5.816 8.666 1.00 74.21 H new ATOM 0 HA PHE A 2 -3.395 3.026 9.486 1.00 62.32 H new ATOM 0 HB2 PHE A 2 -5.251 4.480 8.544 1.00 74.23 H new ATOM 0 HB3 PHE A 2 -4.423 4.403 7.002 1.00 74.23 H new ATOM 0 HD1 PHE A 2 -4.248 2.250 5.786 1.00 33.10 H new ATOM 0 HD2 PHE A 2 -6.427 2.570 9.431 1.00 42.42 H new ATOM 0 HE1 PHE A 2 -5.362 0.116 5.305 1.00 55.05 H new ATOM 0 HE2 PHE A 2 -7.545 0.436 8.952 1.00 31.21 H new ATOM 0 HZ PHE A 2 -7.010 -0.798 6.891 1.00 22.02 H new ATOM 38 N SER A 3 -1.458 2.180 8.184 1.00 43.43 N ATOM 39 CA SER A 3 -0.321 1.653 7.449 1.00 64.23 C ATOM 40 C SER A 3 -0.775 0.767 6.293 1.00 1.41 C ATOM 41 O SER A 3 -1.832 0.138 6.357 1.00 74.11 O ATOM 42 CB SER A 3 0.585 0.865 8.398 1.00 53.24 C ATOM 43 OG SER A 3 1.684 0.303 7.711 1.00 61.13 O ATOM 0 H SER A 3 -1.648 1.702 9.065 1.00 43.43 H new ATOM 0 HA SER A 3 0.237 2.490 7.028 1.00 64.23 H new ATOM 0 HB2 SER A 3 0.946 1.522 9.189 1.00 53.24 H new ATOM 0 HB3 SER A 3 0.011 0.073 8.879 1.00 53.24 H new ATOM 0 HG SER A 3 2.482 0.850 7.867 1.00 61.13 H new ATOM 49 N LEU A 4 0.032 0.723 5.239 1.00 2.44 N ATOM 50 CA LEU A 4 -0.229 -0.150 4.103 1.00 64.01 C ATOM 51 C LEU A 4 -0.088 -1.608 4.531 1.00 40.12 C ATOM 52 O LEU A 4 -0.712 -2.502 3.965 1.00 33.23 O ATOM 53 CB LEU A 4 0.743 0.170 2.961 1.00 14.10 C ATOM 54 CG LEU A 4 0.488 -0.569 1.643 1.00 72.14 C ATOM 55 CD1 LEU A 4 -0.860 -0.179 1.064 1.00 51.04 C ATOM 56 CD2 LEU A 4 1.596 -0.277 0.642 1.00 11.41 C ATOM 0 H LEU A 4 0.878 1.286 5.149 1.00 2.44 H new ATOM 0 HA LEU A 4 -1.246 0.015 3.748 1.00 64.01 H new ATOM 0 HB2 LEU A 4 0.707 1.242 2.768 1.00 14.10 H new ATOM 0 HB3 LEU A 4 1.755 -0.060 3.295 1.00 14.10 H new ATOM 0 HG LEU A 4 0.480 -1.639 1.849 1.00 72.14 H new ATOM 0 HD11 LEU A 4 -1.023 -0.714 0.128 1.00 51.04 H new ATOM 0 HD12 LEU A 4 -1.648 -0.437 1.771 1.00 51.04 H new ATOM 0 HD13 LEU A 4 -0.878 0.894 0.876 1.00 51.04 H new ATOM 0 HD21 LEU A 4 1.397 -0.811 -0.287 1.00 11.41 H new ATOM 0 HD22 LEU A 4 1.635 0.794 0.444 1.00 11.41 H new ATOM 0 HD23 LEU A 4 2.552 -0.605 1.051 1.00 11.41 H new ATOM 68 N ARG A 5 0.730 -1.830 5.555 1.00 0.54 N ATOM 69 CA ARG A 5 0.931 -3.153 6.118 1.00 54.25 C ATOM 70 C ARG A 5 -0.187 -3.465 7.118 1.00 14.22 C ATOM 71 O ARG A 5 -0.358 -4.603 7.555 1.00 61.23 O ATOM 72 CB ARG A 5 2.304 -3.183 6.796 1.00 2.33 C ATOM 73 CG ARG A 5 2.920 -4.558 6.950 1.00 53.32 C ATOM 74 CD ARG A 5 2.437 -5.270 8.203 1.00 41.23 C ATOM 75 NE ARG A 5 2.828 -4.566 9.425 1.00 13.41 N ATOM 76 CZ ARG A 5 1.982 -4.260 10.407 1.00 20.04 C ATOM 77 NH1 ARG A 5 0.690 -4.550 10.285 1.00 61.51 N ATOM 78 NH2 ARG A 5 2.429 -3.654 11.498 1.00 53.21 N ATOM 0 H ARG A 5 1.270 -1.097 6.015 1.00 0.54 H new ATOM 0 HA ARG A 5 0.900 -3.913 5.337 1.00 54.25 H new ATOM 0 HB2 ARG A 5 2.988 -2.559 6.221 1.00 2.33 H new ATOM 0 HB3 ARG A 5 2.213 -2.731 7.784 1.00 2.33 H new ATOM 0 HG2 ARG A 5 2.678 -5.162 6.076 1.00 53.32 H new ATOM 0 HG3 ARG A 5 4.006 -4.466 6.983 1.00 53.32 H new ATOM 0 HD2 ARG A 5 1.351 -5.362 8.171 1.00 41.23 H new ATOM 0 HD3 ARG A 5 2.842 -6.282 8.223 1.00 41.23 H new ATOM 0 HE ARG A 5 3.805 -4.294 9.531 1.00 13.41 H new ATOM 0 HH11 ARG A 5 0.347 -5.007 9.440 1.00 61.51 H new ATOM 0 HH12 ARG A 5 0.042 -4.316 11.037 1.00 61.51 H new ATOM 0 HH21 ARG A 5 3.419 -3.423 11.584 1.00 53.21 H new ATOM 0 HH22 ARG A 5 1.783 -3.419 12.252 1.00 53.21 H new ATOM 92 N ASP A 6 -0.943 -2.433 7.470 1.00 1.01 N ATOM 93 CA ASP A 6 -2.048 -2.562 8.418 1.00 34.53 C ATOM 94 C ASP A 6 -3.352 -2.842 7.671 1.00 43.32 C ATOM 95 O ASP A 6 -4.317 -3.354 8.243 1.00 14.42 O ATOM 96 CB ASP A 6 -2.171 -1.279 9.254 1.00 24.11 C ATOM 97 CG ASP A 6 -3.203 -1.373 10.365 1.00 40.41 C ATOM 98 OD1 ASP A 6 -2.878 -1.923 11.441 1.00 62.42 O ATOM 99 OD2 ASP A 6 -4.333 -0.876 10.181 1.00 52.12 O ATOM 0 H ASP A 6 -0.811 -1.488 7.110 1.00 1.01 H new ATOM 0 HA ASP A 6 -1.848 -3.398 9.088 1.00 34.53 H new ATOM 0 HB2 ASP A 6 -1.200 -1.045 9.690 1.00 24.11 H new ATOM 0 HB3 ASP A 6 -2.432 -0.450 8.596 1.00 24.11 H new ATOM 105 N ALA A 7 -3.364 -2.513 6.385 1.00 53.02 N ATOM 106 CA ALA A 7 -4.520 -2.761 5.531 1.00 40.34 C ATOM 107 C ALA A 7 -4.765 -4.260 5.379 1.00 63.51 C ATOM 108 O ALA A 7 -3.828 -5.060 5.414 1.00 13.32 O ATOM 109 CB ALA A 7 -4.314 -2.114 4.170 1.00 62.15 C ATOM 0 H ALA A 7 -2.579 -2.070 5.907 1.00 53.02 H new ATOM 0 HA ALA A 7 -5.399 -2.318 5.999 1.00 40.34 H new ATOM 0 HB1 ALA A 7 -5.183 -2.306 3.541 1.00 62.15 H new ATOM 0 HB2 ALA A 7 -4.186 -1.039 4.294 1.00 62.15 H new ATOM 0 HB3 ALA A 7 -3.425 -2.533 3.699 1.00 62.15 H new ATOM 115 N LYS A 8 -6.023 -4.639 5.216 1.00 61.24 N ATOM 116 CA LYS A 8 -6.384 -6.044 5.123 1.00 3.31 C ATOM 117 C LYS A 8 -6.450 -6.481 3.668 1.00 63.23 C ATOM 118 O LYS A 8 -6.894 -5.722 2.802 1.00 13.20 O ATOM 119 CB LYS A 8 -7.735 -6.297 5.794 1.00 43.15 C ATOM 120 CG LYS A 8 -7.869 -5.669 7.173 1.00 54.13 C ATOM 121 CD LYS A 8 -6.777 -6.139 8.119 1.00 24.00 C ATOM 122 CE LYS A 8 -6.896 -5.466 9.477 1.00 73.12 C ATOM 123 NZ LYS A 8 -8.176 -5.801 10.155 1.00 55.21 N ATOM 0 H LYS A 8 -6.810 -3.994 5.146 1.00 61.24 H new ATOM 0 HA LYS A 8 -5.617 -6.625 5.636 1.00 3.31 H new ATOM 0 HB2 LYS A 8 -8.526 -5.910 5.152 1.00 43.15 H new ATOM 0 HB3 LYS A 8 -7.891 -7.372 5.879 1.00 43.15 H new ATOM 0 HG2 LYS A 8 -7.829 -4.583 7.083 1.00 54.13 H new ATOM 0 HG3 LYS A 8 -8.844 -5.918 7.592 1.00 54.13 H new ATOM 0 HD2 LYS A 8 -6.838 -7.221 8.240 1.00 24.00 H new ATOM 0 HD3 LYS A 8 -5.800 -5.921 7.687 1.00 24.00 H new ATOM 0 HE2 LYS A 8 -6.061 -5.772 10.107 1.00 73.12 H new ATOM 0 HE3 LYS A 8 -6.823 -4.385 9.354 1.00 73.12 H new ATOM 0 HZ1 LYS A 8 -8.140 -5.480 11.144 1.00 55.21 H new ATOM 0 HZ2 LYS A 8 -8.962 -5.327 9.666 1.00 55.21 H new ATOM 0 HZ3 LYS A 8 -8.323 -6.830 10.131 1.00 55.21 H new ATOM 137 N CYS A 9 -6.004 -7.700 3.402 1.00 22.12 N ATOM 138 CA CYS A 9 -6.067 -8.254 2.059 1.00 54.23 C ATOM 139 C CYS A 9 -7.516 -8.400 1.610 1.00 41.42 C ATOM 140 O CYS A 9 -8.343 -8.986 2.311 1.00 65.45 O ATOM 141 CB CYS A 9 -5.343 -9.598 2.008 1.00 52.41 C ATOM 142 SG CYS A 9 -5.630 -10.643 3.455 1.00 14.54 S ATOM 0 H CYS A 9 -5.595 -8.323 4.098 1.00 22.12 H new ATOM 0 HA CYS A 9 -5.568 -7.569 1.373 1.00 54.23 H new ATOM 0 HB2 CYS A 9 -5.660 -10.136 1.115 1.00 52.41 H new ATOM 0 HB3 CYS A 9 -4.272 -9.419 1.909 1.00 52.41 H new ATOM 0 HG CYS A 9 -4.978 -11.760 3.320 1.00 14.54 H new ATOM 148 N GLY A 10 -7.817 -7.850 0.445 1.00 41.34 N ATOM 149 CA GLY A 10 -9.173 -7.858 -0.052 1.00 11.44 C ATOM 150 C GLY A 10 -9.776 -6.470 -0.058 1.00 14.30 C ATOM 151 O GLY A 10 -10.848 -6.253 -0.625 1.00 25.01 O ATOM 0 H GLY A 10 -7.140 -7.395 -0.168 1.00 41.34 H new ATOM 0 HA2 GLY A 10 -9.187 -8.265 -1.063 1.00 11.44 H new ATOM 0 HA3 GLY A 10 -9.783 -8.517 0.566 1.00 11.44 H new ATOM 155 N GLN A 11 -9.095 -5.523 0.581 1.00 53.33 N ATOM 156 CA GLN A 11 -9.570 -4.148 0.624 1.00 61.00 C ATOM 157 C GLN A 11 -8.736 -3.256 -0.288 1.00 4.21 C ATOM 158 O GLN A 11 -7.596 -3.583 -0.625 1.00 51.33 O ATOM 159 CB GLN A 11 -9.539 -3.598 2.054 1.00 43.14 C ATOM 160 CG GLN A 11 -10.371 -4.398 3.046 1.00 5.03 C ATOM 161 CD GLN A 11 -10.573 -3.668 4.360 1.00 43.45 C ATOM 162 OE1 GLN A 11 -9.771 -3.785 5.287 1.00 3.31 O ATOM 163 NE2 GLN A 11 -11.657 -2.917 4.451 1.00 63.12 N ATOM 0 H GLN A 11 -8.216 -5.684 1.074 1.00 53.33 H new ATOM 0 HA GLN A 11 -10.602 -4.147 0.272 1.00 61.00 H new ATOM 0 HB2 GLN A 11 -8.506 -3.573 2.400 1.00 43.14 H new ATOM 0 HB3 GLN A 11 -9.897 -2.568 2.044 1.00 43.14 H new ATOM 0 HG2 GLN A 11 -11.343 -4.619 2.604 1.00 5.03 H new ATOM 0 HG3 GLN A 11 -9.883 -5.354 3.237 1.00 5.03 H new ATOM 0 HE21 GLN A 11 -12.297 -2.847 3.660 1.00 63.12 H new ATOM 0 HE22 GLN A 11 -11.854 -2.408 5.313 1.00 63.12 H new ATOM 172 N THR A 12 -9.318 -2.139 -0.694 1.00 21.04 N ATOM 173 CA THR A 12 -8.622 -1.160 -1.507 1.00 54.34 C ATOM 174 C THR A 12 -8.344 0.102 -0.695 1.00 64.52 C ATOM 175 O THR A 12 -9.238 0.649 -0.045 1.00 41.52 O ATOM 176 CB THR A 12 -9.444 -0.806 -2.762 1.00 54.32 C ATOM 177 OG1 THR A 12 -9.808 -2.008 -3.454 1.00 34.43 O ATOM 178 CG2 THR A 12 -8.654 0.102 -3.698 1.00 53.22 C ATOM 0 H THR A 12 -10.281 -1.888 -0.470 1.00 21.04 H new ATOM 0 HA THR A 12 -7.674 -1.595 -1.824 1.00 54.34 H new ATOM 0 HB THR A 12 -10.341 -0.275 -2.444 1.00 54.32 H new ATOM 0 HG1 THR A 12 -10.332 -1.781 -4.250 1.00 34.43 H new ATOM 0 HG21 THR A 12 -9.258 0.335 -4.575 1.00 53.22 H new ATOM 0 HG22 THR A 12 -8.397 1.025 -3.178 1.00 53.22 H new ATOM 0 HG23 THR A 12 -7.741 -0.404 -4.011 1.00 53.22 H new ATOM 186 N VAL A 13 -7.096 0.542 -0.713 1.00 31.35 N ATOM 187 CA VAL A 13 -6.695 1.743 0.001 1.00 13.52 C ATOM 188 C VAL A 13 -6.119 2.763 -0.970 1.00 64.20 C ATOM 189 O VAL A 13 -6.055 2.514 -2.166 1.00 73.12 O ATOM 190 CB VAL A 13 -5.644 1.434 1.092 1.00 32.44 C ATOM 191 CG1 VAL A 13 -6.209 0.482 2.132 1.00 11.52 C ATOM 192 CG2 VAL A 13 -4.379 0.855 0.476 1.00 70.33 C ATOM 0 H VAL A 13 -6.339 0.082 -1.218 1.00 31.35 H new ATOM 0 HA VAL A 13 -7.585 2.148 0.483 1.00 13.52 H new ATOM 0 HB VAL A 13 -5.388 2.371 1.586 1.00 32.44 H new ATOM 0 HG11 VAL A 13 -5.452 0.279 2.889 1.00 11.52 H new ATOM 0 HG12 VAL A 13 -7.081 0.934 2.603 1.00 11.52 H new ATOM 0 HG13 VAL A 13 -6.500 -0.452 1.651 1.00 11.52 H new ATOM 0 HG21 VAL A 13 -3.654 0.646 1.263 1.00 70.33 H new ATOM 0 HG22 VAL A 13 -4.620 -0.069 -0.050 1.00 70.33 H new ATOM 0 HG23 VAL A 13 -3.955 1.573 -0.226 1.00 70.33 H new ATOM 202 N LYS A 14 -5.719 3.910 -0.457 1.00 31.45 N ATOM 203 CA LYS A 14 -5.020 4.907 -1.254 1.00 33.41 C ATOM 204 C LYS A 14 -3.780 5.385 -0.522 1.00 60.35 C ATOM 205 O LYS A 14 -3.833 5.636 0.679 1.00 53.40 O ATOM 206 CB LYS A 14 -5.922 6.102 -1.549 1.00 62.34 C ATOM 207 CG LYS A 14 -6.781 5.933 -2.786 1.00 41.22 C ATOM 208 CD LYS A 14 -7.623 7.169 -3.043 1.00 4.13 C ATOM 209 CE LYS A 14 -6.772 8.428 -3.088 1.00 55.01 C ATOM 210 NZ LYS A 14 -7.581 9.636 -3.397 1.00 54.04 N ATOM 0 H LYS A 14 -5.866 4.179 0.516 1.00 31.45 H new ATOM 0 HA LYS A 14 -4.734 4.441 -2.197 1.00 33.41 H new ATOM 0 HB2 LYS A 14 -6.570 6.276 -0.690 1.00 62.34 H new ATOM 0 HB3 LYS A 14 -5.303 6.991 -1.667 1.00 62.34 H new ATOM 0 HG2 LYS A 14 -6.145 5.737 -3.649 1.00 41.22 H new ATOM 0 HG3 LYS A 14 -7.431 5.066 -2.665 1.00 41.22 H new ATOM 0 HD2 LYS A 14 -8.157 7.056 -3.987 1.00 4.13 H new ATOM 0 HD3 LYS A 14 -8.376 7.266 -2.261 1.00 4.13 H new ATOM 0 HE2 LYS A 14 -6.272 8.562 -2.129 1.00 55.01 H new ATOM 0 HE3 LYS A 14 -5.992 8.312 -3.840 1.00 55.01 H new ATOM 0 HZ1 LYS A 14 -6.963 10.472 -3.418 1.00 54.04 H new ATOM 0 HZ2 LYS A 14 -8.038 9.520 -4.324 1.00 54.04 H new ATOM 0 HZ3 LYS A 14 -8.309 9.763 -2.665 1.00 54.04 H new ATOM 224 N VAL A 15 -2.672 5.504 -1.237 1.00 4.02 N ATOM 225 CA VAL A 15 -1.449 6.029 -0.646 1.00 14.14 C ATOM 226 C VAL A 15 -1.585 7.531 -0.454 1.00 34.11 C ATOM 227 O VAL A 15 -1.758 8.270 -1.421 1.00 44.45 O ATOM 228 CB VAL A 15 -0.206 5.737 -1.516 1.00 63.43 C ATOM 229 CG1 VAL A 15 1.034 6.388 -0.924 1.00 10.02 C ATOM 230 CG2 VAL A 15 0.003 4.241 -1.660 1.00 22.43 C ATOM 0 H VAL A 15 -2.593 5.246 -2.221 1.00 4.02 H new ATOM 0 HA VAL A 15 -1.307 5.530 0.313 1.00 14.14 H new ATOM 0 HB VAL A 15 -0.378 6.162 -2.505 1.00 63.43 H new ATOM 0 HG11 VAL A 15 1.896 6.168 -1.554 1.00 10.02 H new ATOM 0 HG12 VAL A 15 0.889 7.467 -0.871 1.00 10.02 H new ATOM 0 HG13 VAL A 15 1.208 5.996 0.078 1.00 10.02 H new ATOM 0 HG21 VAL A 15 0.883 4.054 -2.276 1.00 22.43 H new ATOM 0 HG22 VAL A 15 0.149 3.797 -0.675 1.00 22.43 H new ATOM 0 HG23 VAL A 15 -0.872 3.795 -2.133 1.00 22.43 H new ATOM 240 N VAL A 16 -1.530 7.979 0.788 1.00 51.14 N ATOM 241 CA VAL A 16 -1.730 9.390 1.076 1.00 63.40 C ATOM 242 C VAL A 16 -0.449 10.059 1.549 1.00 32.54 C ATOM 243 O VAL A 16 -0.194 11.220 1.220 1.00 24.31 O ATOM 244 CB VAL A 16 -2.846 9.609 2.117 1.00 22.11 C ATOM 245 CG1 VAL A 16 -4.205 9.300 1.513 1.00 31.43 C ATOM 246 CG2 VAL A 16 -2.621 8.761 3.356 1.00 52.11 C ATOM 0 H VAL A 16 -1.351 7.395 1.605 1.00 51.14 H new ATOM 0 HA VAL A 16 -2.035 9.853 0.137 1.00 63.40 H new ATOM 0 HB VAL A 16 -2.820 10.657 2.415 1.00 22.11 H new ATOM 0 HG11 VAL A 16 -4.981 9.460 2.262 1.00 31.43 H new ATOM 0 HG12 VAL A 16 -4.382 9.956 0.661 1.00 31.43 H new ATOM 0 HG13 VAL A 16 -4.229 8.262 1.182 1.00 31.43 H new ATOM 0 HG21 VAL A 16 -3.425 8.939 4.070 1.00 52.11 H new ATOM 0 HG22 VAL A 16 -2.609 7.707 3.078 1.00 52.11 H new ATOM 0 HG23 VAL A 16 -1.667 9.027 3.811 1.00 52.11 H new ATOM 256 N LYS A 17 0.354 9.337 2.311 1.00 72.45 N ATOM 257 CA LYS A 17 1.605 9.885 2.813 1.00 55.44 C ATOM 258 C LYS A 17 2.714 8.837 2.780 1.00 54.41 C ATOM 259 O LYS A 17 2.514 7.690 3.176 1.00 21.43 O ATOM 260 CB LYS A 17 1.418 10.410 4.238 1.00 73.42 C ATOM 261 CG LYS A 17 2.574 11.273 4.722 1.00 52.21 C ATOM 262 CD LYS A 17 2.744 12.512 3.854 1.00 5.25 C ATOM 263 CE LYS A 17 1.584 13.480 4.014 1.00 41.03 C ATOM 264 NZ LYS A 17 1.734 14.675 3.142 1.00 31.42 N ATOM 0 H LYS A 17 0.165 8.376 2.595 1.00 72.45 H new ATOM 0 HA LYS A 17 1.898 10.711 2.165 1.00 55.44 H new ATOM 0 HB2 LYS A 17 0.497 10.991 4.285 1.00 73.42 H new ATOM 0 HB3 LYS A 17 1.297 9.565 4.916 1.00 73.42 H new ATOM 0 HG2 LYS A 17 2.399 11.572 5.755 1.00 52.21 H new ATOM 0 HG3 LYS A 17 3.495 10.690 4.711 1.00 52.21 H new ATOM 0 HD2 LYS A 17 3.675 13.014 4.117 1.00 5.25 H new ATOM 0 HD3 LYS A 17 2.827 12.214 2.809 1.00 5.25 H new ATOM 0 HE2 LYS A 17 0.651 12.971 3.774 1.00 41.03 H new ATOM 0 HE3 LYS A 17 1.516 13.796 5.055 1.00 41.03 H new ATOM 0 HZ1 LYS A 17 0.922 15.310 3.281 1.00 31.42 H new ATOM 0 HZ2 LYS A 17 2.612 15.176 3.387 1.00 31.42 H new ATOM 0 HZ3 LYS A 17 1.773 14.376 2.147 1.00 31.42 H new ATOM 278 N LEU A 18 3.882 9.236 2.306 1.00 34.43 N ATOM 279 CA LEU A 18 5.025 8.342 2.248 1.00 32.14 C ATOM 280 C LEU A 18 6.033 8.702 3.335 1.00 55.24 C ATOM 281 O LEU A 18 6.707 9.729 3.254 1.00 4.44 O ATOM 282 CB LEU A 18 5.687 8.416 0.869 1.00 13.51 C ATOM 283 CG LEU A 18 4.819 7.965 -0.310 1.00 31.43 C ATOM 284 CD1 LEU A 18 5.493 8.317 -1.625 1.00 43.35 C ATOM 285 CD2 LEU A 18 4.555 6.470 -0.237 1.00 64.42 C ATOM 0 H LEU A 18 4.064 10.176 1.955 1.00 34.43 H new ATOM 0 HA LEU A 18 4.678 7.322 2.416 1.00 32.14 H new ATOM 0 HB2 LEU A 18 6.002 9.445 0.692 1.00 13.51 H new ATOM 0 HB3 LEU A 18 6.590 7.805 0.886 1.00 13.51 H new ATOM 0 HG LEU A 18 3.864 8.487 -0.255 1.00 31.43 H new ATOM 0 HD11 LEU A 18 4.865 7.991 -2.454 1.00 43.35 H new ATOM 0 HD12 LEU A 18 5.638 9.396 -1.682 1.00 43.35 H new ATOM 0 HD13 LEU A 18 6.460 7.817 -1.683 1.00 43.35 H new ATOM 0 HD21 LEU A 18 3.937 6.168 -1.083 1.00 64.42 H new ATOM 0 HD22 LEU A 18 5.502 5.931 -0.269 1.00 64.42 H new ATOM 0 HD23 LEU A 18 4.036 6.237 0.693 1.00 64.42 H new ATOM 297 N HIS A 19 6.118 7.871 4.364 1.00 73.12 N ATOM 298 CA HIS A 19 7.062 8.101 5.447 1.00 1.02 C ATOM 299 C HIS A 19 8.402 7.455 5.117 1.00 25.22 C ATOM 300 O HIS A 19 8.475 6.560 4.275 1.00 45.33 O ATOM 301 CB HIS A 19 6.519 7.542 6.768 1.00 30.53 C ATOM 302 CG HIS A 19 5.271 8.218 7.248 1.00 12.43 C ATOM 303 ND1 HIS A 19 5.231 8.994 8.383 1.00 52.34 N ATOM 304 CD2 HIS A 19 4.012 8.229 6.746 1.00 62.52 C ATOM 305 CE1 HIS A 19 4.007 9.452 8.559 1.00 23.21 C ATOM 306 NE2 HIS A 19 3.246 9.005 7.582 1.00 1.54 N ATOM 0 H HIS A 19 5.546 7.033 4.471 1.00 73.12 H new ATOM 0 HA HIS A 19 7.202 9.176 5.560 1.00 1.02 H new ATOM 0 HB2 HIS A 19 6.319 6.477 6.646 1.00 30.53 H new ATOM 0 HB3 HIS A 19 7.289 7.636 7.534 1.00 30.53 H new ATOM 0 HD2 HIS A 19 3.674 7.722 5.854 1.00 62.52 H new ATOM 0 HE1 HIS A 19 3.683 10.088 9.370 1.00 23.21 H new ATOM 0 HE2 HIS A 19 2.252 9.202 7.465 1.00 1.54 H new ATOM 315 N GLY A 20 9.460 7.919 5.763 1.00 60.32 N ATOM 316 CA GLY A 20 10.768 7.337 5.545 1.00 70.12 C ATOM 317 C GLY A 20 11.849 8.380 5.368 1.00 64.50 C ATOM 318 O GLY A 20 11.629 9.565 5.623 1.00 23.42 O ATOM 0 H GLY A 20 9.437 8.687 6.434 1.00 60.32 H new ATOM 0 HA2 GLY A 20 11.022 6.697 6.390 1.00 70.12 H new ATOM 0 HA3 GLY A 20 10.735 6.700 4.661 1.00 70.12 H new ATOM 322 N THR A 21 13.009 7.936 4.908 1.00 10.34 N ATOM 323 CA THR A 21 14.169 8.803 4.736 1.00 25.31 C ATOM 324 C THR A 21 14.152 9.513 3.384 1.00 75.33 C ATOM 325 O THR A 21 15.076 10.253 3.042 1.00 20.30 O ATOM 326 CB THR A 21 15.464 7.979 4.848 1.00 54.55 C ATOM 327 OG1 THR A 21 15.371 6.828 3.994 1.00 75.23 O ATOM 328 CG2 THR A 21 15.709 7.534 6.282 1.00 51.45 C ATOM 0 H THR A 21 13.175 6.965 4.643 1.00 10.34 H new ATOM 0 HA THR A 21 14.129 9.556 5.523 1.00 25.31 H new ATOM 0 HB THR A 21 16.300 8.606 4.539 1.00 54.55 H new ATOM 0 HG1 THR A 21 16.195 6.303 4.062 1.00 75.23 H new ATOM 0 HG21 THR A 21 16.631 6.954 6.331 1.00 51.45 H new ATOM 0 HG22 THR A 21 15.797 8.410 6.925 1.00 51.45 H new ATOM 0 HG23 THR A 21 14.875 6.919 6.620 1.00 51.45 H new ATOM 336 N GLY A 22 13.103 9.275 2.612 1.00 42.11 N ATOM 337 CA GLY A 22 13.019 9.846 1.283 1.00 72.13 C ATOM 338 C GLY A 22 13.484 8.872 0.221 1.00 74.31 C ATOM 339 O GLY A 22 12.807 8.672 -0.784 1.00 21.10 O ATOM 0 H GLY A 22 12.307 8.696 2.882 1.00 42.11 H new ATOM 0 HA2 GLY A 22 11.990 10.142 1.079 1.00 72.13 H new ATOM 0 HA3 GLY A 22 13.626 10.750 1.237 1.00 72.13 H new ATOM 343 N ALA A 23 14.633 8.247 0.460 1.00 30.22 N ATOM 344 CA ALA A 23 15.170 7.250 -0.462 1.00 54.32 C ATOM 345 C ALA A 23 14.223 6.061 -0.574 1.00 60.12 C ATOM 346 O ALA A 23 14.008 5.519 -1.659 1.00 0.21 O ATOM 347 CB ALA A 23 16.552 6.798 -0.009 1.00 4.04 C ATOM 0 H ALA A 23 15.211 8.413 1.284 1.00 30.22 H new ATOM 0 HA ALA A 23 15.264 7.704 -1.448 1.00 54.32 H new ATOM 0 HB1 ALA A 23 16.939 6.055 -0.707 1.00 4.04 H new ATOM 0 HB2 ALA A 23 17.225 7.655 0.018 1.00 4.04 H new ATOM 0 HB3 ALA A 23 16.483 6.360 0.987 1.00 4.04 H new ATOM 353 N LEU A 24 13.643 5.676 0.558 1.00 1.14 N ATOM 354 CA LEU A 24 12.637 4.621 0.587 1.00 41.12 C ATOM 355 C LEU A 24 11.427 5.027 -0.247 1.00 13.32 C ATOM 356 O LEU A 24 10.883 4.226 -1.005 1.00 74.21 O ATOM 357 CB LEU A 24 12.207 4.340 2.031 1.00 22.51 C ATOM 358 CG LEU A 24 11.149 3.245 2.199 1.00 24.53 C ATOM 359 CD1 LEU A 24 11.697 1.895 1.759 1.00 54.34 C ATOM 360 CD2 LEU A 24 10.673 3.186 3.641 1.00 12.25 C ATOM 0 H LEU A 24 13.854 6.081 1.470 1.00 1.14 H new ATOM 0 HA LEU A 24 13.069 3.714 0.165 1.00 41.12 H new ATOM 0 HB2 LEU A 24 13.089 4.061 2.607 1.00 22.51 H new ATOM 0 HB3 LEU A 24 11.822 5.263 2.464 1.00 22.51 H new ATOM 0 HG LEU A 24 10.297 3.489 1.564 1.00 24.53 H new ATOM 0 HD11 LEU A 24 10.929 1.132 1.887 1.00 54.34 H new ATOM 0 HD12 LEU A 24 11.988 1.945 0.710 1.00 54.34 H new ATOM 0 HD13 LEU A 24 12.566 1.640 2.365 1.00 54.34 H new ATOM 0 HD21 LEU A 24 9.922 2.403 3.744 1.00 12.25 H new ATOM 0 HD22 LEU A 24 11.518 2.967 4.294 1.00 12.25 H new ATOM 0 HD23 LEU A 24 10.238 4.146 3.920 1.00 12.25 H new ATOM 372 N LYS A 25 11.033 6.289 -0.112 1.00 72.34 N ATOM 373 CA LYS A 25 9.893 6.833 -0.840 1.00 42.11 C ATOM 374 C LYS A 25 10.156 6.790 -2.343 1.00 30.14 C ATOM 375 O LYS A 25 9.313 6.345 -3.119 1.00 32.23 O ATOM 376 CB LYS A 25 9.633 8.271 -0.387 1.00 41.10 C ATOM 377 CG LYS A 25 9.394 8.401 1.109 1.00 34.34 C ATOM 378 CD LYS A 25 9.482 9.848 1.575 1.00 52.31 C ATOM 379 CE LYS A 25 8.475 10.740 0.867 1.00 64.44 C ATOM 380 NZ LYS A 25 8.498 12.123 1.403 1.00 32.40 N ATOM 0 H LYS A 25 11.493 6.961 0.503 1.00 72.34 H new ATOM 0 HA LYS A 25 9.012 6.228 -0.627 1.00 42.11 H new ATOM 0 HB2 LYS A 25 10.485 8.891 -0.666 1.00 41.10 H new ATOM 0 HB3 LYS A 25 8.766 8.661 -0.921 1.00 41.10 H new ATOM 0 HG2 LYS A 25 8.411 7.999 1.356 1.00 34.34 H new ATOM 0 HG3 LYS A 25 10.128 7.801 1.647 1.00 34.34 H new ATOM 0 HD2 LYS A 25 9.312 9.893 2.651 1.00 52.31 H new ATOM 0 HD3 LYS A 25 10.489 10.225 1.396 1.00 52.31 H new ATOM 0 HE2 LYS A 25 8.693 10.759 -0.201 1.00 64.44 H new ATOM 0 HE3 LYS A 25 7.475 10.322 0.981 1.00 64.44 H new ATOM 0 HZ1 LYS A 25 7.799 12.703 0.897 1.00 32.40 H new ATOM 0 HZ2 LYS A 25 8.266 12.106 2.417 1.00 32.40 H new ATOM 0 HZ3 LYS A 25 9.446 12.530 1.272 1.00 32.40 H new ATOM 394 N ARG A 26 11.346 7.234 -2.734 1.00 32.41 N ATOM 395 CA ARG A 26 11.761 7.237 -4.133 1.00 72.54 C ATOM 396 C ARG A 26 11.708 5.826 -4.717 1.00 40.24 C ATOM 397 O ARG A 26 11.304 5.635 -5.866 1.00 5.24 O ATOM 398 CB ARG A 26 13.176 7.836 -4.243 1.00 42.03 C ATOM 399 CG ARG A 26 13.771 7.865 -5.649 1.00 62.24 C ATOM 400 CD ARG A 26 14.392 6.527 -6.029 1.00 30.20 C ATOM 401 NE ARG A 26 15.118 6.579 -7.298 1.00 41.13 N ATOM 402 CZ ARG A 26 14.713 5.970 -8.411 1.00 24.55 C ATOM 403 NH1 ARG A 26 13.512 5.411 -8.459 1.00 54.25 N ATOM 404 NH2 ARG A 26 15.501 5.942 -9.479 1.00 70.21 N ATOM 0 H ARG A 26 12.049 7.601 -2.092 1.00 32.41 H new ATOM 0 HA ARG A 26 11.073 7.853 -4.713 1.00 72.54 H new ATOM 0 HB2 ARG A 26 13.151 8.855 -3.857 1.00 42.03 H new ATOM 0 HB3 ARG A 26 13.844 7.267 -3.597 1.00 42.03 H new ATOM 0 HG2 ARG A 26 12.993 8.121 -6.368 1.00 62.24 H new ATOM 0 HG3 ARG A 26 14.528 8.647 -5.707 1.00 62.24 H new ATOM 0 HD2 ARG A 26 15.073 6.210 -5.239 1.00 30.20 H new ATOM 0 HD3 ARG A 26 13.607 5.773 -6.095 1.00 30.20 H new ATOM 0 HE ARG A 26 15.986 7.114 -7.332 1.00 41.13 H new ATOM 0 HH11 ARG A 26 12.899 5.448 -7.644 1.00 54.25 H new ATOM 0 HH12 ARG A 26 13.200 4.944 -9.311 1.00 54.25 H new ATOM 0 HH21 ARG A 26 16.418 6.387 -9.448 1.00 70.21 H new ATOM 0 HH22 ARG A 26 15.189 5.475 -10.331 1.00 70.21 H new ATOM 418 N ARG A 27 12.116 4.845 -3.924 1.00 32.20 N ATOM 419 CA ARG A 27 12.118 3.458 -4.366 1.00 31.34 C ATOM 420 C ARG A 27 10.691 2.950 -4.562 1.00 14.40 C ATOM 421 O ARG A 27 10.392 2.288 -5.550 1.00 44.33 O ATOM 422 CB ARG A 27 12.863 2.581 -3.359 1.00 4.34 C ATOM 423 CG ARG A 27 12.939 1.119 -3.761 1.00 22.33 C ATOM 424 CD ARG A 27 13.796 0.327 -2.791 1.00 12.11 C ATOM 425 NE ARG A 27 13.852 -1.094 -3.130 1.00 53.43 N ATOM 426 CZ ARG A 27 14.875 -1.892 -2.816 1.00 53.00 C ATOM 427 NH1 ARG A 27 15.984 -1.379 -2.291 1.00 51.12 N ATOM 428 NH2 ARG A 27 14.808 -3.195 -3.067 1.00 72.44 N ATOM 0 H ARG A 27 12.450 4.984 -2.970 1.00 32.20 H new ATOM 0 HA ARG A 27 12.634 3.404 -5.325 1.00 31.34 H new ATOM 0 HB2 ARG A 27 13.875 2.967 -3.233 1.00 4.34 H new ATOM 0 HB3 ARG A 27 12.370 2.657 -2.390 1.00 4.34 H new ATOM 0 HG2 ARG A 27 11.935 0.695 -3.793 1.00 22.33 H new ATOM 0 HG3 ARG A 27 13.352 1.037 -4.766 1.00 22.33 H new ATOM 0 HD2 ARG A 27 14.806 0.736 -2.785 1.00 12.11 H new ATOM 0 HD3 ARG A 27 13.399 0.442 -1.782 1.00 12.11 H new ATOM 0 HE ARG A 27 13.064 -1.499 -3.636 1.00 53.43 H new ATOM 0 HH11 ARG A 27 16.054 -0.375 -2.128 1.00 51.12 H new ATOM 0 HH12 ARG A 27 16.765 -1.990 -2.052 1.00 51.12 H new ATOM 0 HH21 ARG A 27 13.973 -3.588 -3.501 1.00 72.44 H new ATOM 0 HH22 ARG A 27 15.592 -3.802 -2.826 1.00 72.44 H new ATOM 442 N ILE A 28 9.808 3.279 -3.628 1.00 62.12 N ATOM 443 CA ILE A 28 8.419 2.840 -3.706 1.00 45.41 C ATOM 444 C ILE A 28 7.683 3.538 -4.852 1.00 3.44 C ATOM 445 O ILE A 28 6.896 2.913 -5.568 1.00 10.02 O ATOM 446 CB ILE A 28 7.689 3.072 -2.363 1.00 25.30 C ATOM 447 CG1 ILE A 28 8.418 2.298 -1.260 1.00 60.14 C ATOM 448 CG2 ILE A 28 6.232 2.634 -2.453 1.00 52.21 C ATOM 449 CD1 ILE A 28 7.856 2.519 0.123 1.00 51.31 C ATOM 0 H ILE A 28 10.027 3.847 -2.809 1.00 62.12 H new ATOM 0 HA ILE A 28 8.420 1.769 -3.911 1.00 45.41 H new ATOM 0 HB ILE A 28 7.698 4.136 -2.128 1.00 25.30 H new ATOM 0 HG12 ILE A 28 8.378 1.233 -1.491 1.00 60.14 H new ATOM 0 HG13 ILE A 28 9.469 2.586 -1.263 1.00 60.14 H new ATOM 0 HG21 ILE A 28 5.740 2.807 -1.496 1.00 52.21 H new ATOM 0 HG22 ILE A 28 5.727 3.208 -3.230 1.00 52.21 H new ATOM 0 HG23 ILE A 28 6.186 1.573 -2.698 1.00 52.21 H new ATOM 0 HD11 ILE A 28 8.427 1.936 0.845 1.00 51.31 H new ATOM 0 HD12 ILE A 28 7.921 3.577 0.377 1.00 51.31 H new ATOM 0 HD13 ILE A 28 6.813 2.204 0.146 1.00 51.31 H new ATOM 461 N MET A 29 7.974 4.820 -5.047 1.00 72.22 N ATOM 462 CA MET A 29 7.408 5.579 -6.162 1.00 0.05 C ATOM 463 C MET A 29 7.888 5.012 -7.494 1.00 0.54 C ATOM 464 O MET A 29 7.191 5.096 -8.506 1.00 72.24 O ATOM 465 CB MET A 29 7.770 7.064 -6.062 1.00 4.50 C ATOM 466 CG MET A 29 7.093 7.777 -4.902 1.00 74.03 C ATOM 467 SD MET A 29 7.437 9.550 -4.865 1.00 75.24 S ATOM 468 CE MET A 29 9.217 9.552 -4.659 1.00 71.31 C ATOM 0 H MET A 29 8.600 5.358 -4.447 1.00 72.22 H new ATOM 0 HA MET A 29 6.323 5.488 -6.109 1.00 0.05 H new ATOM 0 HB2 MET A 29 8.851 7.160 -5.956 1.00 4.50 H new ATOM 0 HB3 MET A 29 7.496 7.560 -6.993 1.00 4.50 H new ATOM 0 HG2 MET A 29 6.016 7.623 -4.967 1.00 74.03 H new ATOM 0 HG3 MET A 29 7.423 7.329 -3.965 1.00 74.03 H new ATOM 0 HE1 MET A 29 9.557 10.565 -4.442 1.00 71.31 H new ATOM 0 HE2 MET A 29 9.489 8.893 -3.834 1.00 71.31 H new ATOM 0 HE3 MET A 29 9.690 9.200 -5.576 1.00 71.31 H new ATOM 478 N ASP A 30 9.086 4.434 -7.476 1.00 54.04 N ATOM 479 CA ASP A 30 9.703 3.854 -8.669 1.00 12.35 C ATOM 480 C ASP A 30 8.862 2.705 -9.229 1.00 71.43 C ATOM 481 O ASP A 30 8.845 2.469 -10.437 1.00 4.51 O ATOM 482 CB ASP A 30 11.113 3.359 -8.331 1.00 33.02 C ATOM 483 CG ASP A 30 11.895 2.902 -9.546 1.00 43.35 C ATOM 484 OD1 ASP A 30 12.042 1.679 -9.736 1.00 5.15 O ATOM 485 OD2 ASP A 30 12.399 3.769 -10.296 1.00 53.14 O ATOM 0 H ASP A 30 9.658 4.354 -6.635 1.00 54.04 H new ATOM 0 HA ASP A 30 9.761 4.628 -9.434 1.00 12.35 H new ATOM 0 HB2 ASP A 30 11.662 4.159 -7.834 1.00 33.02 H new ATOM 0 HB3 ASP A 30 11.041 2.534 -7.622 1.00 33.02 H new ATOM 491 N MET A 31 8.148 2.002 -8.351 1.00 21.03 N ATOM 492 CA MET A 31 7.276 0.905 -8.776 1.00 34.23 C ATOM 493 C MET A 31 5.936 1.424 -9.289 1.00 65.30 C ATOM 494 O MET A 31 5.120 0.659 -9.804 1.00 53.22 O ATOM 495 CB MET A 31 7.032 -0.091 -7.636 1.00 20.45 C ATOM 496 CG MET A 31 8.114 -1.150 -7.488 1.00 70.31 C ATOM 497 SD MET A 31 9.520 -0.593 -6.507 1.00 55.55 S ATOM 498 CE MET A 31 8.738 -0.392 -4.908 1.00 34.11 C ATOM 0 H MET A 31 8.155 2.170 -7.345 1.00 21.03 H new ATOM 0 HA MET A 31 7.791 0.393 -9.589 1.00 34.23 H new ATOM 0 HB2 MET A 31 6.949 0.460 -6.699 1.00 20.45 H new ATOM 0 HB3 MET A 31 6.075 -0.586 -7.801 1.00 20.45 H new ATOM 0 HG2 MET A 31 7.684 -2.038 -7.024 1.00 70.31 H new ATOM 0 HG3 MET A 31 8.463 -1.445 -8.478 1.00 70.31 H new ATOM 0 HE1 MET A 31 9.486 -0.101 -4.171 1.00 34.11 H new ATOM 0 HE2 MET A 31 7.972 0.381 -4.972 1.00 34.11 H new ATOM 0 HE3 MET A 31 8.279 -1.334 -4.607 1.00 34.11 H new ATOM 508 N GLY A 32 5.713 2.724 -9.153 1.00 74.32 N ATOM 509 CA GLY A 32 4.463 3.309 -9.603 1.00 54.51 C ATOM 510 C GLY A 32 3.529 3.618 -8.452 1.00 0.54 C ATOM 511 O GLY A 32 2.405 4.084 -8.657 1.00 13.13 O ATOM 0 H GLY A 32 6.373 3.384 -8.740 1.00 74.32 H new ATOM 0 HA2 GLY A 32 4.671 4.225 -10.156 1.00 54.51 H new ATOM 0 HA3 GLY A 32 3.971 2.624 -10.294 1.00 54.51 H new ATOM 515 N ILE A 33 4.001 3.356 -7.241 1.00 31.24 N ATOM 516 CA ILE A 33 3.227 3.621 -6.040 1.00 14.44 C ATOM 517 C ILE A 33 3.461 5.053 -5.583 1.00 42.31 C ATOM 518 O ILE A 33 4.475 5.362 -4.958 1.00 61.03 O ATOM 519 CB ILE A 33 3.604 2.655 -4.898 1.00 70.34 C ATOM 520 CG1 ILE A 33 3.547 1.206 -5.387 1.00 53.03 C ATOM 521 CG2 ILE A 33 2.673 2.853 -3.710 1.00 51.14 C ATOM 522 CD1 ILE A 33 4.027 0.198 -4.363 1.00 25.42 C ATOM 0 H ILE A 33 4.923 2.957 -7.066 1.00 31.24 H new ATOM 0 HA ILE A 33 2.175 3.471 -6.282 1.00 14.44 H new ATOM 0 HB ILE A 33 4.623 2.872 -4.579 1.00 70.34 H new ATOM 0 HG12 ILE A 33 2.521 0.966 -5.666 1.00 53.03 H new ATOM 0 HG13 ILE A 33 4.153 1.112 -6.288 1.00 53.03 H new ATOM 0 HG21 ILE A 33 2.951 2.165 -2.912 1.00 51.14 H new ATOM 0 HG22 ILE A 33 2.755 3.879 -3.350 1.00 51.14 H new ATOM 0 HG23 ILE A 33 1.645 2.658 -4.016 1.00 51.14 H new ATOM 0 HD11 ILE A 33 3.957 -0.806 -4.781 1.00 25.42 H new ATOM 0 HD12 ILE A 33 5.063 0.411 -4.101 1.00 25.42 H new ATOM 0 HD13 ILE A 33 3.406 0.263 -3.470 1.00 25.42 H new ATOM 534 N THR A 34 2.536 5.929 -5.924 1.00 52.34 N ATOM 535 CA THR A 34 2.664 7.336 -5.601 1.00 40.34 C ATOM 536 C THR A 34 1.501 7.807 -4.736 1.00 13.01 C ATOM 537 O THR A 34 0.430 7.199 -4.737 1.00 15.42 O ATOM 538 CB THR A 34 2.730 8.184 -6.887 1.00 74.53 C ATOM 539 OG1 THR A 34 1.693 7.778 -7.795 1.00 20.11 O ATOM 540 CG2 THR A 34 4.088 8.043 -7.560 1.00 24.32 C ATOM 0 H THR A 34 1.682 5.689 -6.428 1.00 52.34 H new ATOM 0 HA THR A 34 3.590 7.464 -5.041 1.00 40.34 H new ATOM 0 HB THR A 34 2.586 9.230 -6.616 1.00 74.53 H new ATOM 0 HG1 THR A 34 1.740 8.322 -8.609 1.00 20.11 H new ATOM 0 HG21 THR A 34 4.110 8.650 -8.465 1.00 24.32 H new ATOM 0 HG22 THR A 34 4.869 8.379 -6.878 1.00 24.32 H new ATOM 0 HG23 THR A 34 4.259 6.998 -7.820 1.00 24.32 H new ATOM 548 N ARG A 35 1.721 8.875 -3.982 1.00 22.21 N ATOM 549 CA ARG A 35 0.656 9.483 -3.193 1.00 24.44 C ATOM 550 C ARG A 35 -0.493 9.908 -4.096 1.00 72.00 C ATOM 551 O ARG A 35 -0.343 10.781 -4.952 1.00 24.30 O ATOM 552 CB ARG A 35 1.184 10.677 -2.391 1.00 22.33 C ATOM 553 CG ARG A 35 2.295 11.430 -3.096 1.00 43.43 C ATOM 554 CD ARG A 35 2.718 12.671 -2.323 1.00 71.01 C ATOM 555 NE ARG A 35 4.029 13.165 -2.745 1.00 22.31 N ATOM 556 CZ ARG A 35 4.256 13.838 -3.879 1.00 23.21 C ATOM 557 NH1 ARG A 35 3.265 14.109 -4.718 1.00 11.23 N ATOM 558 NH2 ARG A 35 5.483 14.240 -4.175 1.00 44.03 N ATOM 0 H ARG A 35 2.626 9.339 -3.899 1.00 22.21 H new ATOM 0 HA ARG A 35 0.286 8.741 -2.486 1.00 24.44 H new ATOM 0 HB2 ARG A 35 0.361 11.363 -2.190 1.00 22.33 H new ATOM 0 HB3 ARG A 35 1.549 10.325 -1.426 1.00 22.33 H new ATOM 0 HG2 ARG A 35 3.154 10.772 -3.225 1.00 43.43 H new ATOM 0 HG3 ARG A 35 1.962 11.719 -4.093 1.00 43.43 H new ATOM 0 HD2 ARG A 35 1.974 13.455 -2.463 1.00 71.01 H new ATOM 0 HD3 ARG A 35 2.744 12.442 -1.258 1.00 71.01 H new ATOM 0 HE ARG A 35 4.824 12.984 -2.133 1.00 22.31 H new ATOM 0 HH11 ARG A 35 2.316 13.804 -4.502 1.00 11.23 H new ATOM 0 HH12 ARG A 35 3.452 14.623 -5.579 1.00 11.23 H new ATOM 0 HH21 ARG A 35 6.254 14.036 -3.539 1.00 44.03 H new ATOM 0 HH22 ARG A 35 5.657 14.753 -5.039 1.00 44.03 H new ATOM 572 N GLY A 36 -1.625 9.259 -3.913 1.00 31.43 N ATOM 573 CA GLY A 36 -2.785 9.515 -4.742 1.00 75.41 C ATOM 574 C GLY A 36 -3.324 8.253 -5.387 1.00 61.01 C ATOM 575 O GLY A 36 -4.531 8.132 -5.609 1.00 54.42 O ATOM 0 H GLY A 36 -1.766 8.548 -3.195 1.00 31.43 H new ATOM 0 HA2 GLY A 36 -3.567 9.973 -4.136 1.00 75.41 H new ATOM 0 HA3 GLY A 36 -2.522 10.233 -5.519 1.00 75.41 H new ATOM 579 N CYS A 37 -2.437 7.307 -5.686 1.00 4.43 N ATOM 580 CA CYS A 37 -2.848 6.060 -6.325 1.00 22.22 C ATOM 581 C CYS A 37 -3.570 5.163 -5.331 1.00 21.41 C ATOM 582 O CYS A 37 -3.302 5.210 -4.125 1.00 1.21 O ATOM 583 CB CYS A 37 -1.645 5.311 -6.918 1.00 25.54 C ATOM 584 SG CYS A 37 -0.468 4.688 -5.695 1.00 4.13 S ATOM 0 H CYS A 37 -1.437 7.379 -5.498 1.00 4.43 H new ATOM 0 HA CYS A 37 -3.528 6.317 -7.137 1.00 22.22 H new ATOM 0 HB2 CYS A 37 -2.012 4.472 -7.510 1.00 25.54 H new ATOM 0 HB3 CYS A 37 -1.120 5.978 -7.602 1.00 25.54 H new ATOM 0 HG CYS A 37 0.103 5.689 -5.093 1.00 4.13 H new ATOM 590 N GLU A 38 -4.502 4.365 -5.828 1.00 22.14 N ATOM 591 CA GLU A 38 -5.182 3.399 -4.987 1.00 73.24 C ATOM 592 C GLU A 38 -4.445 2.068 -5.010 1.00 61.44 C ATOM 593 O GLU A 38 -3.956 1.628 -6.053 1.00 24.12 O ATOM 594 CB GLU A 38 -6.645 3.209 -5.405 1.00 15.12 C ATOM 595 CG GLU A 38 -6.849 2.924 -6.884 1.00 24.24 C ATOM 596 CD GLU A 38 -6.942 4.185 -7.716 1.00 14.42 C ATOM 597 OE1 GLU A 38 -5.916 4.610 -8.285 1.00 62.43 O ATOM 598 OE2 GLU A 38 -8.048 4.752 -7.813 1.00 70.53 O ATOM 0 H GLU A 38 -4.802 4.368 -6.803 1.00 22.14 H new ATOM 0 HA GLU A 38 -5.181 3.789 -3.969 1.00 73.24 H new ATOM 0 HB2 GLU A 38 -7.070 2.388 -4.828 1.00 15.12 H new ATOM 0 HB3 GLU A 38 -7.204 4.107 -5.141 1.00 15.12 H new ATOM 0 HG2 GLU A 38 -6.023 2.313 -7.249 1.00 24.24 H new ATOM 0 HG3 GLU A 38 -7.760 2.340 -7.015 1.00 24.24 H new ATOM 606 N ILE A 39 -4.365 1.444 -3.853 1.00 62.43 N ATOM 607 CA ILE A 39 -3.651 0.198 -3.696 1.00 40.20 C ATOM 608 C ILE A 39 -4.622 -0.912 -3.337 1.00 33.11 C ATOM 609 O ILE A 39 -5.248 -0.881 -2.278 1.00 31.13 O ATOM 610 CB ILE A 39 -2.591 0.291 -2.579 1.00 22.12 C ATOM 611 CG1 ILE A 39 -1.713 1.533 -2.755 1.00 40.55 C ATOM 612 CG2 ILE A 39 -1.734 -0.964 -2.554 1.00 71.45 C ATOM 613 CD1 ILE A 39 -0.921 1.549 -4.042 1.00 55.32 C ATOM 0 H ILE A 39 -4.795 1.789 -2.995 1.00 62.43 H new ATOM 0 HA ILE A 39 -3.154 -0.015 -4.643 1.00 40.20 H new ATOM 0 HB ILE A 39 -3.113 0.378 -1.626 1.00 22.12 H new ATOM 0 HG12 ILE A 39 -2.345 2.420 -2.718 1.00 40.55 H new ATOM 0 HG13 ILE A 39 -1.022 1.599 -1.914 1.00 40.55 H new ATOM 0 HG21 ILE A 39 -0.991 -0.882 -1.760 1.00 71.45 H new ATOM 0 HG22 ILE A 39 -2.366 -1.833 -2.371 1.00 71.45 H new ATOM 0 HG23 ILE A 39 -1.229 -1.079 -3.513 1.00 71.45 H new ATOM 0 HD11 ILE A 39 -0.325 2.460 -4.091 1.00 55.32 H new ATOM 0 HD12 ILE A 39 -0.261 0.682 -4.074 1.00 55.32 H new ATOM 0 HD13 ILE A 39 -1.605 1.516 -4.890 1.00 55.32 H new ATOM 625 N TYR A 40 -4.772 -1.873 -4.225 1.00 21.13 N ATOM 626 CA TYR A 40 -5.552 -3.052 -3.915 1.00 23.44 C ATOM 627 C TYR A 40 -4.687 -4.044 -3.154 1.00 4.01 C ATOM 628 O TYR A 40 -3.709 -4.569 -3.690 1.00 72.32 O ATOM 629 CB TYR A 40 -6.109 -3.695 -5.187 1.00 13.43 C ATOM 630 CG TYR A 40 -6.728 -5.057 -4.950 1.00 35.41 C ATOM 631 CD1 TYR A 40 -7.852 -5.205 -4.144 1.00 52.44 C ATOM 632 CD2 TYR A 40 -6.171 -6.199 -5.515 1.00 44.44 C ATOM 633 CE1 TYR A 40 -8.403 -6.452 -3.911 1.00 51.01 C ATOM 634 CE2 TYR A 40 -6.715 -7.447 -5.283 1.00 62.34 C ATOM 635 CZ TYR A 40 -7.831 -7.569 -4.484 1.00 74.12 C ATOM 636 OH TYR A 40 -8.372 -8.814 -4.248 1.00 42.21 O ATOM 0 H TYR A 40 -4.367 -1.861 -5.161 1.00 21.13 H new ATOM 0 HA TYR A 40 -6.399 -2.758 -3.295 1.00 23.44 H new ATOM 0 HB2 TYR A 40 -6.859 -3.034 -5.621 1.00 13.43 H new ATOM 0 HB3 TYR A 40 -5.307 -3.791 -5.918 1.00 13.43 H new ATOM 0 HD1 TYR A 40 -8.301 -4.333 -3.693 1.00 52.44 H new ATOM 0 HD2 TYR A 40 -5.299 -6.109 -6.145 1.00 44.44 H new ATOM 0 HE1 TYR A 40 -9.277 -6.551 -3.284 1.00 51.01 H new ATOM 0 HE2 TYR A 40 -6.267 -8.324 -5.726 1.00 62.34 H new ATOM 0 HH TYR A 40 -7.851 -9.493 -4.726 1.00 42.21 H new ATOM 646 N ILE A 41 -5.028 -4.276 -1.896 1.00 52.14 N ATOM 647 CA ILE A 41 -4.291 -5.223 -1.080 1.00 72.51 C ATOM 648 C ILE A 41 -4.661 -6.638 -1.498 1.00 42.22 C ATOM 649 O ILE A 41 -5.708 -7.161 -1.119 1.00 33.45 O ATOM 650 CB ILE A 41 -4.570 -5.030 0.425 1.00 63.12 C ATOM 651 CG1 ILE A 41 -4.446 -3.552 0.813 1.00 72.33 C ATOM 652 CG2 ILE A 41 -3.608 -5.873 1.251 1.00 52.22 C ATOM 653 CD1 ILE A 41 -3.074 -2.965 0.562 1.00 11.42 C ATOM 0 H ILE A 41 -5.808 -3.822 -1.421 1.00 52.14 H new ATOM 0 HA ILE A 41 -3.227 -5.049 -1.238 1.00 72.51 H new ATOM 0 HB ILE A 41 -5.590 -5.356 0.630 1.00 63.12 H new ATOM 0 HG12 ILE A 41 -5.184 -2.977 0.254 1.00 72.33 H new ATOM 0 HG13 ILE A 41 -4.690 -3.442 1.870 1.00 72.33 H new ATOM 0 HG21 ILE A 41 -3.815 -5.728 2.311 1.00 52.22 H new ATOM 0 HG22 ILE A 41 -3.736 -6.925 0.997 1.00 52.22 H new ATOM 0 HG23 ILE A 41 -2.583 -5.570 1.037 1.00 52.22 H new ATOM 0 HD11 ILE A 41 -3.066 -1.917 0.862 1.00 11.42 H new ATOM 0 HD12 ILE A 41 -2.332 -3.514 1.142 1.00 11.42 H new ATOM 0 HD13 ILE A 41 -2.834 -3.041 -0.499 1.00 11.42 H new ATOM 665 N ARG A 42 -3.800 -7.241 -2.298 1.00 54.40 N ATOM 666 CA ARG A 42 -4.095 -8.521 -2.918 1.00 24.33 C ATOM 667 C ARG A 42 -3.918 -9.662 -1.922 1.00 23.11 C ATOM 668 O ARG A 42 -4.776 -10.537 -1.817 1.00 1.22 O ATOM 669 CB ARG A 42 -3.200 -8.707 -4.148 1.00 62.42 C ATOM 670 CG ARG A 42 -3.525 -9.927 -4.995 1.00 43.42 C ATOM 671 CD ARG A 42 -2.718 -11.144 -4.578 1.00 15.35 C ATOM 672 NE ARG A 42 -2.884 -12.243 -5.521 1.00 23.03 N ATOM 673 CZ ARG A 42 -2.024 -12.517 -6.498 1.00 12.34 C ATOM 674 NH1 ARG A 42 -0.903 -11.816 -6.611 1.00 22.15 N ATOM 675 NH2 ARG A 42 -2.279 -13.496 -7.349 1.00 12.55 N ATOM 0 H ARG A 42 -2.884 -6.861 -2.535 1.00 54.40 H new ATOM 0 HA ARG A 42 -5.137 -8.534 -3.238 1.00 24.33 H new ATOM 0 HB2 ARG A 42 -3.276 -7.817 -4.773 1.00 62.42 H new ATOM 0 HB3 ARG A 42 -2.163 -8.777 -3.818 1.00 62.42 H new ATOM 0 HG2 ARG A 42 -4.588 -10.152 -4.912 1.00 43.42 H new ATOM 0 HG3 ARG A 42 -3.327 -9.703 -6.043 1.00 43.42 H new ATOM 0 HD2 ARG A 42 -1.663 -10.877 -4.511 1.00 15.35 H new ATOM 0 HD3 ARG A 42 -3.030 -11.466 -3.584 1.00 15.35 H new ATOM 0 HE ARG A 42 -3.708 -12.837 -5.426 1.00 23.03 H new ATOM 0 HH11 ARG A 42 -0.701 -11.067 -5.949 1.00 22.15 H new ATOM 0 HH12 ARG A 42 -0.243 -12.026 -7.360 1.00 22.15 H new ATOM 0 HH21 ARG A 42 -3.136 -14.042 -7.257 1.00 12.55 H new ATOM 0 HH22 ARG A 42 -1.619 -13.706 -8.098 1.00 12.55 H new ATOM 689 N LYS A 43 -2.811 -9.647 -1.189 1.00 74.12 N ATOM 690 CA LYS A 43 -2.530 -10.704 -0.226 1.00 44.43 C ATOM 691 C LYS A 43 -1.496 -10.266 0.805 1.00 63.14 C ATOM 692 O LYS A 43 -0.384 -9.876 0.458 1.00 14.55 O ATOM 693 CB LYS A 43 -2.030 -11.960 -0.946 1.00 74.31 C ATOM 694 CG LYS A 43 -1.652 -13.093 -0.004 1.00 2.20 C ATOM 695 CD LYS A 43 -1.094 -14.283 -0.761 1.00 72.15 C ATOM 696 CE LYS A 43 -0.702 -15.404 0.184 1.00 63.51 C ATOM 697 NZ LYS A 43 -0.185 -16.587 -0.548 1.00 70.33 N ATOM 0 H LYS A 43 -2.098 -8.920 -1.242 1.00 74.12 H new ATOM 0 HA LYS A 43 -3.461 -10.925 0.295 1.00 44.43 H new ATOM 0 HB2 LYS A 43 -2.804 -12.310 -1.629 1.00 74.31 H new ATOM 0 HB3 LYS A 43 -1.163 -11.699 -1.554 1.00 74.31 H new ATOM 0 HG2 LYS A 43 -0.913 -12.739 0.715 1.00 2.20 H new ATOM 0 HG3 LYS A 43 -2.528 -13.401 0.566 1.00 2.20 H new ATOM 0 HD2 LYS A 43 -1.837 -14.646 -1.471 1.00 72.15 H new ATOM 0 HD3 LYS A 43 -0.225 -13.973 -1.341 1.00 72.15 H new ATOM 0 HE2 LYS A 43 0.058 -15.045 0.878 1.00 63.51 H new ATOM 0 HE3 LYS A 43 -1.566 -15.695 0.781 1.00 63.51 H new ATOM 0 HZ1 LYS A 43 0.072 -17.331 0.132 1.00 70.33 H new ATOM 0 HZ2 LYS A 43 -0.919 -16.945 -1.192 1.00 70.33 H new ATOM 0 HZ3 LYS A 43 0.655 -16.315 -1.098 1.00 70.33 H new ATOM 711 N VAL A 44 -1.874 -10.334 2.071 1.00 23.24 N ATOM 712 CA VAL A 44 -0.933 -10.125 3.160 1.00 43.50 C ATOM 713 C VAL A 44 -0.600 -11.473 3.779 1.00 63.42 C ATOM 714 O VAL A 44 -1.468 -12.116 4.373 1.00 44.52 O ATOM 715 CB VAL A 44 -1.500 -9.185 4.247 1.00 63.14 C ATOM 716 CG1 VAL A 44 -0.492 -8.989 5.374 1.00 33.54 C ATOM 717 CG2 VAL A 44 -1.896 -7.846 3.645 1.00 20.15 C ATOM 0 H VAL A 44 -2.828 -10.533 2.371 1.00 23.24 H new ATOM 0 HA VAL A 44 -0.040 -9.651 2.753 1.00 43.50 H new ATOM 0 HB VAL A 44 -2.392 -9.651 4.666 1.00 63.14 H new ATOM 0 HG11 VAL A 44 -0.913 -8.324 6.127 1.00 33.54 H new ATOM 0 HG12 VAL A 44 -0.263 -9.953 5.829 1.00 33.54 H new ATOM 0 HG13 VAL A 44 0.422 -8.550 4.973 1.00 33.54 H new ATOM 0 HG21 VAL A 44 -2.293 -7.199 4.427 1.00 20.15 H new ATOM 0 HG22 VAL A 44 -1.021 -7.377 3.195 1.00 20.15 H new ATOM 0 HG23 VAL A 44 -2.658 -8.002 2.881 1.00 20.15 H new ATOM 727 N ALA A 45 0.643 -11.908 3.616 1.00 55.42 N ATOM 728 CA ALA A 45 1.059 -13.220 4.096 1.00 21.43 C ATOM 729 C ALA A 45 0.857 -13.342 5.604 1.00 24.33 C ATOM 730 O ALA A 45 1.065 -12.381 6.343 1.00 71.13 O ATOM 731 CB ALA A 45 2.513 -13.474 3.730 1.00 14.55 C ATOM 0 H ALA A 45 1.380 -11.373 3.156 1.00 55.42 H new ATOM 0 HA ALA A 45 0.437 -13.974 3.613 1.00 21.43 H new ATOM 0 HB1 ALA A 45 2.813 -14.457 4.093 1.00 14.55 H new ATOM 0 HB2 ALA A 45 2.627 -13.437 2.647 1.00 14.55 H new ATOM 0 HB3 ALA A 45 3.142 -12.710 4.187 1.00 14.55 H new ATOM 737 N PRO A 46 0.465 -14.536 6.080 1.00 51.42 N ATOM 738 CA PRO A 46 0.216 -14.781 7.506 1.00 63.13 C ATOM 739 C PRO A 46 1.494 -14.701 8.334 1.00 71.44 C ATOM 740 O PRO A 46 1.456 -14.704 9.564 1.00 54.13 O ATOM 741 CB PRO A 46 -0.357 -16.203 7.537 1.00 72.11 C ATOM 742 CG PRO A 46 0.124 -16.838 6.279 1.00 54.05 C ATOM 743 CD PRO A 46 0.210 -15.737 5.263 1.00 34.52 C ATOM 0 HA PRO A 46 -0.452 -14.035 7.936 1.00 63.13 H new ATOM 0 HB2 PRO A 46 -0.009 -16.750 8.413 1.00 72.11 H new ATOM 0 HB3 PRO A 46 -1.446 -16.189 7.581 1.00 72.11 H new ATOM 0 HG2 PRO A 46 1.096 -17.308 6.427 1.00 54.05 H new ATOM 0 HG3 PRO A 46 -0.561 -17.619 5.950 1.00 54.05 H new ATOM 0 HD2 PRO A 46 1.012 -15.913 4.547 1.00 34.52 H new ATOM 0 HD3 PRO A 46 -0.713 -15.645 4.691 1.00 34.52 H new ATOM 751 N LEU A 47 2.625 -14.642 7.645 1.00 54.54 N ATOM 752 CA LEU A 47 3.914 -14.488 8.296 1.00 14.11 C ATOM 753 C LEU A 47 4.177 -13.014 8.575 1.00 53.52 C ATOM 754 O LEU A 47 5.014 -12.664 9.406 1.00 15.54 O ATOM 755 CB LEU A 47 5.025 -15.053 7.405 1.00 33.25 C ATOM 756 CG LEU A 47 4.804 -16.486 6.924 1.00 24.42 C ATOM 757 CD1 LEU A 47 5.888 -16.890 5.939 1.00 11.31 C ATOM 758 CD2 LEU A 47 4.767 -17.452 8.099 1.00 33.23 C ATOM 0 H LEU A 47 2.673 -14.699 6.628 1.00 54.54 H new ATOM 0 HA LEU A 47 3.903 -15.036 9.238 1.00 14.11 H new ATOM 0 HB2 LEU A 47 5.135 -14.407 6.534 1.00 33.25 H new ATOM 0 HB3 LEU A 47 5.966 -15.011 7.954 1.00 33.25 H new ATOM 0 HG LEU A 47 3.840 -16.529 6.417 1.00 24.42 H new ATOM 0 HD11 LEU A 47 5.715 -17.914 5.607 1.00 11.31 H new ATOM 0 HD12 LEU A 47 5.866 -16.221 5.079 1.00 11.31 H new ATOM 0 HD13 LEU A 47 6.862 -16.826 6.424 1.00 11.31 H new ATOM 0 HD21 LEU A 47 4.609 -18.466 7.732 1.00 33.23 H new ATOM 0 HD22 LEU A 47 5.713 -17.405 8.638 1.00 33.23 H new ATOM 0 HD23 LEU A 47 3.953 -17.178 8.770 1.00 33.23 H new ATOM 770 N GLY A 48 3.445 -12.157 7.873 1.00 22.20 N ATOM 771 CA GLY A 48 3.626 -10.731 8.011 1.00 51.22 C ATOM 772 C GLY A 48 4.419 -10.144 6.864 1.00 33.14 C ATOM 773 O GLY A 48 4.479 -8.927 6.703 1.00 11.11 O ATOM 0 H GLY A 48 2.724 -12.431 7.206 1.00 22.20 H new ATOM 0 HA2 GLY A 48 2.651 -10.246 8.063 1.00 51.22 H new ATOM 0 HA3 GLY A 48 4.138 -10.520 8.950 1.00 51.22 H new ATOM 777 N ASP A 49 5.021 -11.015 6.064 1.00 72.03 N ATOM 778 CA ASP A 49 5.853 -10.590 4.944 1.00 43.30 C ATOM 779 C ASP A 49 5.913 -11.689 3.883 1.00 40.31 C ATOM 780 O ASP A 49 6.039 -12.870 4.217 1.00 43.51 O ATOM 781 CB ASP A 49 7.264 -10.257 5.444 1.00 14.04 C ATOM 782 CG ASP A 49 8.187 -9.781 4.340 1.00 63.44 C ATOM 783 OD1 ASP A 49 8.064 -8.617 3.918 1.00 32.24 O ATOM 784 OD2 ASP A 49 9.055 -10.565 3.905 1.00 21.03 O ATOM 0 H ASP A 49 4.948 -12.027 6.171 1.00 72.03 H new ATOM 0 HA ASP A 49 5.416 -9.698 4.494 1.00 43.30 H new ATOM 0 HB2 ASP A 49 7.199 -9.487 6.213 1.00 14.04 H new ATOM 0 HB3 ASP A 49 7.695 -11.141 5.914 1.00 14.04 H new ATOM 790 N PRO A 50 5.815 -11.325 2.594 1.00 73.44 N ATOM 791 CA PRO A 50 5.656 -9.941 2.161 1.00 24.21 C ATOM 792 C PRO A 50 4.191 -9.533 2.012 1.00 50.43 C ATOM 793 O PRO A 50 3.278 -10.296 2.342 1.00 43.41 O ATOM 794 CB PRO A 50 6.338 -9.963 0.797 1.00 13.45 C ATOM 795 CG PRO A 50 6.008 -11.313 0.247 1.00 1.03 C ATOM 796 CD PRO A 50 5.867 -12.241 1.437 1.00 41.22 C ATOM 0 HA PRO A 50 6.069 -9.227 2.874 1.00 24.21 H new ATOM 0 HB2 PRO A 50 5.965 -9.168 0.152 1.00 13.45 H new ATOM 0 HB3 PRO A 50 7.415 -9.822 0.887 1.00 13.45 H new ATOM 0 HG2 PRO A 50 5.085 -11.281 -0.331 1.00 1.03 H new ATOM 0 HG3 PRO A 50 6.793 -11.660 -0.425 1.00 1.03 H new ATOM 0 HD2 PRO A 50 4.964 -12.848 1.366 1.00 41.22 H new ATOM 0 HD3 PRO A 50 6.709 -12.929 1.509 1.00 41.22 H new ATOM 804 N ILE A 51 3.979 -8.325 1.519 1.00 55.51 N ATOM 805 CA ILE A 51 2.645 -7.838 1.228 1.00 23.34 C ATOM 806 C ILE A 51 2.476 -7.719 -0.280 1.00 71.22 C ATOM 807 O ILE A 51 3.143 -6.912 -0.933 1.00 30.35 O ATOM 808 CB ILE A 51 2.349 -6.468 1.894 1.00 61.05 C ATOM 809 CG1 ILE A 51 2.348 -6.579 3.426 1.00 74.13 C ATOM 810 CG2 ILE A 51 1.012 -5.918 1.415 1.00 73.30 C ATOM 811 CD1 ILE A 51 3.727 -6.661 4.045 1.00 43.45 C ATOM 0 H ILE A 51 4.723 -7.659 1.311 1.00 55.51 H new ATOM 0 HA ILE A 51 1.936 -8.555 1.642 1.00 23.34 H new ATOM 0 HB ILE A 51 3.144 -5.782 1.601 1.00 61.05 H new ATOM 0 HG12 ILE A 51 1.827 -5.716 3.841 1.00 74.13 H new ATOM 0 HG13 ILE A 51 1.780 -7.463 3.714 1.00 74.13 H new ATOM 0 HG21 ILE A 51 0.822 -4.957 1.893 1.00 73.30 H new ATOM 0 HG22 ILE A 51 1.039 -5.786 0.333 1.00 73.30 H new ATOM 0 HG23 ILE A 51 0.217 -6.617 1.676 1.00 73.30 H new ATOM 0 HD11 ILE A 51 3.636 -6.737 5.128 1.00 43.45 H new ATOM 0 HD12 ILE A 51 4.246 -7.540 3.662 1.00 43.45 H new ATOM 0 HD13 ILE A 51 4.294 -5.765 3.791 1.00 43.45 H new ATOM 823 N GLN A 52 1.604 -8.546 -0.829 1.00 30.41 N ATOM 824 CA GLN A 52 1.363 -8.564 -2.258 1.00 53.35 C ATOM 825 C GLN A 52 0.240 -7.590 -2.592 1.00 62.31 C ATOM 826 O GLN A 52 -0.906 -7.785 -2.179 1.00 53.11 O ATOM 827 CB GLN A 52 0.993 -9.982 -2.708 1.00 65.32 C ATOM 828 CG GLN A 52 1.093 -10.207 -4.209 1.00 14.24 C ATOM 829 CD GLN A 52 2.529 -10.247 -4.706 1.00 42.00 C ATOM 830 OE1 GLN A 52 3.415 -9.602 -4.153 1.00 41.35 O ATOM 831 NE2 GLN A 52 2.772 -11.022 -5.749 1.00 44.05 N ATOM 0 H GLN A 52 1.048 -9.218 -0.301 1.00 30.41 H new ATOM 0 HA GLN A 52 2.267 -8.260 -2.785 1.00 53.35 H new ATOM 0 HB2 GLN A 52 1.645 -10.693 -2.201 1.00 65.32 H new ATOM 0 HB3 GLN A 52 -0.026 -10.199 -2.387 1.00 65.32 H new ATOM 0 HG2 GLN A 52 0.599 -11.144 -4.465 1.00 14.24 H new ATOM 0 HG3 GLN A 52 0.556 -9.412 -4.727 1.00 14.24 H new ATOM 0 HE21 GLN A 52 2.012 -11.544 -6.184 1.00 44.05 H new ATOM 0 HE22 GLN A 52 3.720 -11.098 -6.118 1.00 44.05 H new ATOM 840 N ILE A 53 0.571 -6.536 -3.317 1.00 5.12 N ATOM 841 CA ILE A 53 -0.402 -5.507 -3.661 1.00 4.00 C ATOM 842 C ILE A 53 -0.532 -5.373 -5.171 1.00 72.10 C ATOM 843 O ILE A 53 0.359 -5.774 -5.911 1.00 21.13 O ATOM 844 CB ILE A 53 -0.010 -4.138 -3.065 1.00 40.10 C ATOM 845 CG1 ILE A 53 1.415 -3.761 -3.484 1.00 53.52 C ATOM 846 CG2 ILE A 53 -0.142 -4.168 -1.550 1.00 14.34 C ATOM 847 CD1 ILE A 53 1.858 -2.399 -2.996 1.00 40.11 C ATOM 0 H ILE A 53 1.509 -6.367 -3.681 1.00 5.12 H new ATOM 0 HA ILE A 53 -1.358 -5.814 -3.238 1.00 4.00 H new ATOM 0 HB ILE A 53 -0.688 -3.378 -3.452 1.00 40.10 H new ATOM 0 HG12 ILE A 53 2.106 -4.514 -3.105 1.00 53.52 H new ATOM 0 HG13 ILE A 53 1.482 -3.786 -4.572 1.00 53.52 H new ATOM 0 HG21 ILE A 53 0.137 -3.197 -1.141 1.00 14.34 H new ATOM 0 HG22 ILE A 53 -1.174 -4.393 -1.279 1.00 14.34 H new ATOM 0 HG23 ILE A 53 0.516 -4.936 -1.143 1.00 14.34 H new ATOM 0 HD11 ILE A 53 2.876 -2.205 -3.333 1.00 40.11 H new ATOM 0 HD12 ILE A 53 1.192 -1.635 -3.396 1.00 40.11 H new ATOM 0 HD13 ILE A 53 1.825 -2.374 -1.907 1.00 40.11 H new ATOM 859 N ASN A 54 -1.647 -4.828 -5.627 1.00 42.24 N ATOM 860 CA ASN A 54 -1.848 -4.604 -7.052 1.00 2.14 C ATOM 861 C ASN A 54 -1.904 -3.110 -7.339 1.00 52.35 C ATOM 862 O ASN A 54 -2.846 -2.425 -6.937 1.00 53.45 O ATOM 863 CB ASN A 54 -3.129 -5.293 -7.532 1.00 11.24 C ATOM 864 CG ASN A 54 -3.286 -5.263 -9.042 1.00 64.11 C ATOM 865 OD1 ASN A 54 -3.874 -4.339 -9.604 1.00 55.24 O ATOM 866 ND2 ASN A 54 -2.775 -6.288 -9.709 1.00 53.10 N ATOM 0 H ASN A 54 -2.424 -4.533 -5.036 1.00 42.24 H new ATOM 0 HA ASN A 54 -1.008 -5.036 -7.596 1.00 2.14 H new ATOM 0 HB2 ASN A 54 -3.128 -6.329 -7.192 1.00 11.24 H new ATOM 0 HB3 ASN A 54 -3.990 -4.808 -7.073 1.00 11.24 H new ATOM 0 HD21 ASN A 54 -2.862 -6.330 -10.724 1.00 53.10 H new ATOM 0 HD22 ASN A 54 -2.295 -7.035 -9.207 1.00 53.10 H new ATOM 873 N VAL A 55 -0.877 -2.612 -8.011 1.00 3.35 N ATOM 874 CA VAL A 55 -0.770 -1.196 -8.323 1.00 31.44 C ATOM 875 C VAL A 55 -0.641 -1.006 -9.825 1.00 43.53 C ATOM 876 O VAL A 55 0.157 -1.684 -10.473 1.00 21.51 O ATOM 877 CB VAL A 55 0.446 -0.544 -7.630 1.00 62.32 C ATOM 878 CG1 VAL A 55 0.503 0.949 -7.919 1.00 20.42 C ATOM 879 CG2 VAL A 55 0.407 -0.790 -6.134 1.00 14.54 C ATOM 0 H VAL A 55 -0.099 -3.175 -8.354 1.00 3.35 H new ATOM 0 HA VAL A 55 -1.675 -0.713 -7.955 1.00 31.44 H new ATOM 0 HB VAL A 55 1.347 -1.005 -8.034 1.00 62.32 H new ATOM 0 HG11 VAL A 55 1.369 1.384 -7.419 1.00 20.42 H new ATOM 0 HG12 VAL A 55 0.587 1.109 -8.994 1.00 20.42 H new ATOM 0 HG13 VAL A 55 -0.406 1.426 -7.551 1.00 20.42 H new ATOM 0 HG21 VAL A 55 1.273 -0.322 -5.666 1.00 14.54 H new ATOM 0 HG22 VAL A 55 -0.506 -0.362 -5.719 1.00 14.54 H new ATOM 0 HG23 VAL A 55 0.426 -1.863 -5.941 1.00 14.54 H new ATOM 889 N ARG A 56 -1.444 -0.098 -10.377 1.00 4.35 N ATOM 890 CA ARG A 56 -1.430 0.197 -11.814 1.00 53.40 C ATOM 891 C ARG A 56 -1.847 -1.033 -12.622 1.00 65.10 C ATOM 892 O ARG A 56 -1.625 -1.098 -13.833 1.00 30.12 O ATOM 893 CB ARG A 56 -0.035 0.667 -12.265 1.00 41.12 C ATOM 894 CG ARG A 56 0.534 1.818 -11.448 1.00 2.31 C ATOM 895 CD ARG A 56 -0.365 3.040 -11.487 1.00 23.03 C ATOM 896 NE ARG A 56 0.185 4.150 -10.709 1.00 74.35 N ATOM 897 CZ ARG A 56 -0.319 5.383 -10.719 1.00 24.11 C ATOM 898 NH1 ARG A 56 -1.421 5.653 -11.415 1.00 35.42 N ATOM 899 NH2 ARG A 56 0.267 6.341 -10.012 1.00 22.11 N ATOM 0 H ARG A 56 -2.120 0.452 -9.847 1.00 4.35 H new ATOM 0 HA ARG A 56 -2.145 0.999 -11.996 1.00 53.40 H new ATOM 0 HB2 ARG A 56 0.654 -0.176 -12.212 1.00 41.12 H new ATOM 0 HB3 ARG A 56 -0.087 0.970 -13.311 1.00 41.12 H new ATOM 0 HG2 ARG A 56 0.667 1.498 -10.414 1.00 2.31 H new ATOM 0 HG3 ARG A 56 1.521 2.081 -11.830 1.00 2.31 H new ATOM 0 HD2 ARG A 56 -0.503 3.356 -12.521 1.00 23.03 H new ATOM 0 HD3 ARG A 56 -1.350 2.778 -11.099 1.00 23.03 H new ATOM 0 HE ARG A 56 1.002 3.969 -10.125 1.00 74.35 H new ATOM 0 HH11 ARG A 56 -1.884 4.914 -11.944 1.00 35.42 H new ATOM 0 HH12 ARG A 56 -1.803 6.599 -11.419 1.00 35.42 H new ATOM 0 HH21 ARG A 56 1.101 6.132 -9.463 1.00 22.11 H new ATOM 0 HH22 ARG A 56 -0.116 7.286 -10.018 1.00 22.11 H new ATOM 913 N GLY A 57 -2.454 -2.002 -11.945 1.00 73.53 N ATOM 914 CA GLY A 57 -2.849 -3.236 -12.598 1.00 1.31 C ATOM 915 C GLY A 57 -1.827 -4.340 -12.402 1.00 74.12 C ATOM 916 O GLY A 57 -2.123 -5.517 -12.600 1.00 52.25 O ATOM 0 H GLY A 57 -2.680 -1.954 -10.952 1.00 73.53 H new ATOM 0 HA2 GLY A 57 -3.812 -3.561 -12.205 1.00 1.31 H new ATOM 0 HA3 GLY A 57 -2.985 -3.054 -13.664 1.00 1.31 H new ATOM 920 N TYR A 58 -0.625 -3.962 -11.987 1.00 11.11 N ATOM 921 CA TYR A 58 0.470 -4.909 -11.828 1.00 14.12 C ATOM 922 C TYR A 58 0.650 -5.259 -10.356 1.00 13.15 C ATOM 923 O TYR A 58 0.617 -4.381 -9.493 1.00 63.13 O ATOM 924 CB TYR A 58 1.758 -4.299 -12.395 1.00 2.32 C ATOM 925 CG TYR A 58 2.873 -5.292 -12.645 1.00 4.31 C ATOM 926 CD1 TYR A 58 2.921 -6.028 -13.823 1.00 43.35 C ATOM 927 CD2 TYR A 58 3.885 -5.482 -11.712 1.00 14.44 C ATOM 928 CE1 TYR A 58 3.949 -6.920 -14.066 1.00 54.23 C ATOM 929 CE2 TYR A 58 4.914 -6.376 -11.946 1.00 40.32 C ATOM 930 CZ TYR A 58 4.941 -7.092 -13.124 1.00 63.30 C ATOM 931 OH TYR A 58 5.971 -7.975 -13.368 1.00 71.42 O ATOM 0 H TYR A 58 -0.383 -2.999 -11.753 1.00 11.11 H new ATOM 0 HA TYR A 58 0.240 -5.824 -12.373 1.00 14.12 H new ATOM 0 HB2 TYR A 58 1.523 -3.794 -13.332 1.00 2.32 H new ATOM 0 HB3 TYR A 58 2.117 -3.537 -11.704 1.00 2.32 H new ATOM 0 HD1 TYR A 58 2.142 -5.901 -14.561 1.00 43.35 H new ATOM 0 HD2 TYR A 58 3.868 -4.922 -10.789 1.00 14.44 H new ATOM 0 HE1 TYR A 58 3.975 -7.479 -14.989 1.00 54.23 H new ATOM 0 HE2 TYR A 58 5.692 -6.513 -11.210 1.00 40.32 H new ATOM 0 HH TYR A 58 6.587 -7.978 -12.606 1.00 71.42 H new ATOM 941 N GLU A 59 0.824 -6.538 -10.062 1.00 43.41 N ATOM 942 CA GLU A 59 1.005 -6.968 -8.685 1.00 52.21 C ATOM 943 C GLU A 59 2.468 -6.828 -8.261 1.00 44.33 C ATOM 944 O GLU A 59 3.376 -7.359 -8.904 1.00 33.44 O ATOM 945 CB GLU A 59 0.504 -8.401 -8.488 1.00 61.43 C ATOM 946 CG GLU A 59 1.067 -9.404 -9.478 1.00 60.53 C ATOM 947 CD GLU A 59 0.532 -10.798 -9.242 1.00 53.22 C ATOM 948 OE1 GLU A 59 -0.461 -11.178 -9.896 1.00 73.42 O ATOM 949 OE2 GLU A 59 1.084 -11.516 -8.381 1.00 3.54 O ATOM 0 H GLU A 59 0.844 -7.290 -10.751 1.00 43.41 H new ATOM 0 HA GLU A 59 0.408 -6.319 -8.045 1.00 52.21 H new ATOM 0 HB2 GLU A 59 0.756 -8.725 -7.478 1.00 61.43 H new ATOM 0 HB3 GLU A 59 -0.583 -8.406 -8.563 1.00 61.43 H new ATOM 0 HG2 GLU A 59 0.821 -9.089 -10.492 1.00 60.53 H new ATOM 0 HG3 GLU A 59 2.154 -9.416 -9.403 1.00 60.53 H new ATOM 957 N LEU A 60 2.678 -6.093 -7.183 1.00 50.11 N ATOM 958 CA LEU A 60 4.009 -5.791 -6.689 1.00 4.33 C ATOM 959 C LEU A 60 4.223 -6.436 -5.329 1.00 63.02 C ATOM 960 O LEU A 60 3.325 -6.434 -4.484 1.00 11.03 O ATOM 961 CB LEU A 60 4.189 -4.275 -6.571 1.00 13.05 C ATOM 962 CG LEU A 60 3.977 -3.484 -7.864 1.00 13.04 C ATOM 963 CD1 LEU A 60 3.985 -1.990 -7.579 1.00 33.12 C ATOM 964 CD2 LEU A 60 5.049 -3.834 -8.887 1.00 1.53 C ATOM 0 H LEU A 60 1.927 -5.688 -6.624 1.00 50.11 H new ATOM 0 HA LEU A 60 4.742 -6.189 -7.391 1.00 4.33 H new ATOM 0 HB2 LEU A 60 3.494 -3.902 -5.819 1.00 13.05 H new ATOM 0 HB3 LEU A 60 5.195 -4.074 -6.203 1.00 13.05 H new ATOM 0 HG LEU A 60 3.005 -3.754 -8.277 1.00 13.04 H new ATOM 0 HD11 LEU A 60 3.833 -1.441 -8.509 1.00 33.12 H new ATOM 0 HD12 LEU A 60 3.184 -1.749 -6.880 1.00 33.12 H new ATOM 0 HD13 LEU A 60 4.944 -1.708 -7.144 1.00 33.12 H new ATOM 0 HD21 LEU A 60 4.882 -3.262 -9.800 1.00 1.53 H new ATOM 0 HD22 LEU A 60 6.031 -3.592 -8.482 1.00 1.53 H new ATOM 0 HD23 LEU A 60 5.002 -4.899 -9.113 1.00 1.53 H new ATOM 976 N SER A 61 5.406 -6.989 -5.125 1.00 32.21 N ATOM 977 CA SER A 61 5.755 -7.581 -3.847 1.00 74.54 C ATOM 978 C SER A 61 6.492 -6.566 -2.989 1.00 54.13 C ATOM 979 O SER A 61 7.655 -6.247 -3.250 1.00 23.22 O ATOM 980 CB SER A 61 6.624 -8.818 -4.065 1.00 15.34 C ATOM 981 OG SER A 61 6.000 -9.716 -4.966 1.00 53.13 O ATOM 0 H SER A 61 6.142 -7.040 -5.830 1.00 32.21 H new ATOM 0 HA SER A 61 4.842 -7.880 -3.332 1.00 74.54 H new ATOM 0 HB2 SER A 61 7.597 -8.521 -4.456 1.00 15.34 H new ATOM 0 HB3 SER A 61 6.802 -9.316 -3.112 1.00 15.34 H new ATOM 0 HG SER A 61 5.031 -9.704 -4.822 1.00 53.13 H new ATOM 987 N LEU A 62 5.813 -6.045 -1.981 1.00 33.21 N ATOM 988 CA LEU A 62 6.409 -5.061 -1.097 1.00 23.20 C ATOM 989 C LEU A 62 6.695 -5.696 0.257 1.00 15.20 C ATOM 990 O LEU A 62 5.909 -6.504 0.747 1.00 23.11 O ATOM 991 CB LEU A 62 5.476 -3.856 -0.942 1.00 63.54 C ATOM 992 CG LEU A 62 6.102 -2.623 -0.291 1.00 23.01 C ATOM 993 CD1 LEU A 62 7.294 -2.139 -1.103 1.00 45.51 C ATOM 994 CD2 LEU A 62 5.073 -1.514 -0.151 1.00 2.22 C ATOM 0 H LEU A 62 4.848 -6.288 -1.755 1.00 33.21 H new ATOM 0 HA LEU A 62 7.348 -4.713 -1.527 1.00 23.20 H new ATOM 0 HB2 LEU A 62 5.104 -3.576 -1.928 1.00 63.54 H new ATOM 0 HB3 LEU A 62 4.613 -4.160 -0.350 1.00 63.54 H new ATOM 0 HG LEU A 62 6.450 -2.900 0.704 1.00 23.01 H new ATOM 0 HD11 LEU A 62 7.727 -1.261 -0.625 1.00 45.51 H new ATOM 0 HD12 LEU A 62 8.043 -2.929 -1.157 1.00 45.51 H new ATOM 0 HD13 LEU A 62 6.967 -1.880 -2.110 1.00 45.51 H new ATOM 0 HD21 LEU A 62 5.537 -0.644 0.314 1.00 2.22 H new ATOM 0 HD22 LEU A 62 4.696 -1.241 -1.137 1.00 2.22 H new ATOM 0 HD23 LEU A 62 4.247 -1.861 0.470 1.00 2.22 H new ATOM 1006 N ARG A 63 7.824 -5.345 0.852 1.00 53.54 N ATOM 1007 CA ARG A 63 8.222 -5.941 2.117 1.00 12.22 C ATOM 1008 C ARG A 63 7.490 -5.313 3.292 1.00 30.14 C ATOM 1009 O ARG A 63 7.060 -4.157 3.232 1.00 61.24 O ATOM 1010 CB ARG A 63 9.729 -5.824 2.323 1.00 72.24 C ATOM 1011 CG ARG A 63 10.532 -6.695 1.375 1.00 33.53 C ATOM 1012 CD ARG A 63 10.190 -8.166 1.562 1.00 70.51 C ATOM 1013 NE ARG A 63 10.846 -9.019 0.571 1.00 4.50 N ATOM 1014 CZ ARG A 63 10.700 -10.343 0.518 1.00 42.12 C ATOM 1015 NH1 ARG A 63 9.969 -10.976 1.429 1.00 54.33 N ATOM 1016 NH2 ARG A 63 11.296 -11.038 -0.441 1.00 12.02 N ATOM 0 H ARG A 63 8.477 -4.655 0.482 1.00 53.54 H new ATOM 0 HA ARG A 63 7.949 -6.995 2.073 1.00 12.22 H new ATOM 0 HB2 ARG A 63 10.027 -4.784 2.191 1.00 72.24 H new ATOM 0 HB3 ARG A 63 9.971 -6.097 3.350 1.00 72.24 H new ATOM 0 HG2 ARG A 63 10.330 -6.399 0.345 1.00 33.53 H new ATOM 0 HG3 ARG A 63 11.597 -6.541 1.548 1.00 33.53 H new ATOM 0 HD2 ARG A 63 10.486 -8.481 2.562 1.00 70.51 H new ATOM 0 HD3 ARG A 63 9.110 -8.297 1.493 1.00 70.51 H new ATOM 0 HE ARG A 63 11.451 -8.575 -0.120 1.00 4.50 H new ATOM 0 HH11 ARG A 63 9.515 -10.449 2.175 1.00 54.33 H new ATOM 0 HH12 ARG A 63 9.861 -11.989 1.382 1.00 54.33 H new ATOM 0 HH21 ARG A 63 11.866 -10.560 -1.138 1.00 12.02 H new ATOM 0 HH22 ARG A 63 11.184 -12.051 -0.481 1.00 12.02 H new ATOM 1030 N LYS A 64 7.363 -6.102 4.347 1.00 22.34 N ATOM 1031 CA LYS A 64 6.714 -5.702 5.588 1.00 30.40 C ATOM 1032 C LYS A 64 7.156 -4.314 6.055 1.00 42.31 C ATOM 1033 O LYS A 64 6.320 -3.446 6.287 1.00 64.44 O ATOM 1034 CB LYS A 64 7.033 -6.747 6.655 1.00 33.31 C ATOM 1035 CG LYS A 64 6.643 -6.359 8.070 1.00 42.11 C ATOM 1036 CD LYS A 64 7.066 -7.437 9.053 1.00 23.55 C ATOM 1037 CE LYS A 64 8.543 -7.777 8.899 1.00 62.15 C ATOM 1038 NZ LYS A 64 8.939 -8.939 9.734 1.00 72.12 N ATOM 0 H LYS A 64 7.715 -7.059 4.366 1.00 22.34 H new ATOM 0 HA LYS A 64 5.639 -5.643 5.415 1.00 30.40 H new ATOM 0 HB2 LYS A 64 6.525 -7.676 6.396 1.00 33.31 H new ATOM 0 HB3 LYS A 64 8.103 -6.952 6.633 1.00 33.31 H new ATOM 0 HG2 LYS A 64 7.112 -5.412 8.336 1.00 42.11 H new ATOM 0 HG3 LYS A 64 5.565 -6.208 8.128 1.00 42.11 H new ATOM 0 HD2 LYS A 64 6.872 -7.100 10.071 1.00 23.55 H new ATOM 0 HD3 LYS A 64 6.466 -8.333 8.894 1.00 23.55 H new ATOM 0 HE2 LYS A 64 8.757 -7.993 7.852 1.00 62.15 H new ATOM 0 HE3 LYS A 64 9.145 -6.911 9.175 1.00 62.15 H new ATOM 0 HZ1 LYS A 64 9.951 -9.135 9.598 1.00 72.12 H new ATOM 0 HZ2 LYS A 64 8.759 -8.724 10.736 1.00 72.12 H new ATOM 0 HZ3 LYS A 64 8.384 -9.773 9.454 1.00 72.12 H new ATOM 1052 N SER A 65 8.463 -4.108 6.169 1.00 24.04 N ATOM 1053 CA SER A 65 8.997 -2.850 6.680 1.00 12.21 C ATOM 1054 C SER A 65 8.651 -1.673 5.768 1.00 71.21 C ATOM 1055 O SER A 65 8.288 -0.596 6.242 1.00 3.21 O ATOM 1056 CB SER A 65 10.509 -2.963 6.858 1.00 30.21 C ATOM 1057 OG SER A 65 11.118 -3.545 5.716 1.00 0.24 O ATOM 0 H SER A 65 9.173 -4.795 5.915 1.00 24.04 H new ATOM 0 HA SER A 65 8.533 -2.656 7.647 1.00 12.21 H new ATOM 0 HB2 SER A 65 10.932 -1.974 7.035 1.00 30.21 H new ATOM 0 HB3 SER A 65 10.730 -3.566 7.739 1.00 30.21 H new ATOM 0 HG SER A 65 12.086 -3.604 5.856 1.00 0.24 H new ATOM 1063 N ALA A 66 8.746 -1.886 4.461 1.00 43.23 N ATOM 1064 CA ALA A 66 8.464 -0.834 3.493 1.00 13.10 C ATOM 1065 C ALA A 66 6.981 -0.482 3.492 1.00 14.42 C ATOM 1066 O ALA A 66 6.612 0.689 3.479 1.00 70.01 O ATOM 1067 CB ALA A 66 8.915 -1.254 2.102 1.00 3.52 C ATOM 0 H ALA A 66 9.016 -2.778 4.047 1.00 43.23 H new ATOM 0 HA ALA A 66 9.024 0.055 3.783 1.00 13.10 H new ATOM 0 HB1 ALA A 66 8.696 -0.456 1.392 1.00 3.52 H new ATOM 0 HB2 ALA A 66 9.987 -1.448 2.110 1.00 3.52 H new ATOM 0 HB3 ALA A 66 8.385 -2.159 1.805 1.00 3.52 H new ATOM 1073 N ALA A 67 6.139 -1.509 3.527 1.00 32.34 N ATOM 1074 CA ALA A 67 4.693 -1.320 3.541 1.00 43.20 C ATOM 1075 C ALA A 67 4.245 -0.666 4.835 1.00 70.22 C ATOM 1076 O ALA A 67 3.337 0.164 4.850 1.00 55.32 O ATOM 1077 CB ALA A 67 3.980 -2.652 3.378 1.00 5.24 C ATOM 0 H ALA A 67 6.435 -2.485 3.546 1.00 32.34 H new ATOM 0 HA ALA A 67 4.435 -0.668 2.707 1.00 43.20 H new ATOM 0 HB1 ALA A 67 2.902 -2.492 3.391 1.00 5.24 H new ATOM 0 HB2 ALA A 67 4.268 -3.105 2.430 1.00 5.24 H new ATOM 0 HB3 ALA A 67 4.258 -3.316 4.197 1.00 5.24 H new ATOM 1083 N GLU A 68 4.895 -1.047 5.921 1.00 64.33 N ATOM 1084 CA GLU A 68 4.509 -0.591 7.241 1.00 70.04 C ATOM 1085 C GLU A 68 4.796 0.899 7.416 1.00 25.31 C ATOM 1086 O GLU A 68 4.131 1.581 8.196 1.00 41.12 O ATOM 1087 CB GLU A 68 5.243 -1.408 8.300 1.00 73.35 C ATOM 1088 CG GLU A 68 4.623 -1.301 9.673 1.00 24.22 C ATOM 1089 CD GLU A 68 5.396 -2.071 10.720 1.00 74.20 C ATOM 1090 OE1 GLU A 68 5.023 -3.227 11.008 1.00 3.51 O ATOM 1091 OE2 GLU A 68 6.382 -1.525 11.259 1.00 45.33 O ATOM 0 H GLU A 68 5.698 -1.676 5.912 1.00 64.33 H new ATOM 0 HA GLU A 68 3.435 -0.735 7.359 1.00 70.04 H new ATOM 0 HB2 GLU A 68 5.257 -2.455 7.996 1.00 73.35 H new ATOM 0 HB3 GLU A 68 6.280 -1.076 8.350 1.00 73.35 H new ATOM 0 HG2 GLU A 68 4.571 -0.252 9.963 1.00 24.22 H new ATOM 0 HG3 GLU A 68 3.599 -1.673 9.636 1.00 24.22 H new ATOM 1099 N MET A 69 5.766 1.397 6.666 1.00 70.22 N ATOM 1100 CA MET A 69 6.165 2.796 6.756 1.00 72.32 C ATOM 1101 C MET A 69 5.251 3.676 5.906 1.00 1.53 C ATOM 1102 O MET A 69 5.318 4.904 5.963 1.00 12.42 O ATOM 1103 CB MET A 69 7.615 2.951 6.294 1.00 64.41 C ATOM 1104 CG MET A 69 8.282 4.238 6.750 1.00 1.10 C ATOM 1105 SD MET A 69 8.426 4.346 8.546 1.00 2.20 S ATOM 1106 CE MET A 69 9.355 5.867 8.720 1.00 41.42 C ATOM 0 H MET A 69 6.295 0.852 5.985 1.00 70.22 H new ATOM 0 HA MET A 69 6.080 3.115 7.795 1.00 72.32 H new ATOM 0 HB2 MET A 69 8.194 2.105 6.663 1.00 64.41 H new ATOM 0 HB3 MET A 69 7.644 2.906 5.205 1.00 64.41 H new ATOM 0 HG2 MET A 69 9.275 4.306 6.305 1.00 1.10 H new ATOM 0 HG3 MET A 69 7.709 5.090 6.383 1.00 1.10 H new ATOM 0 HE1 MET A 69 9.012 6.404 9.605 1.00 41.42 H new ATOM 0 HE2 MET A 69 10.415 5.636 8.824 1.00 41.42 H new ATOM 0 HE3 MET A 69 9.204 6.489 7.837 1.00 41.42 H new ATOM 1116 N ILE A 70 4.389 3.048 5.123 1.00 45.33 N ATOM 1117 CA ILE A 70 3.531 3.781 4.209 1.00 74.24 C ATOM 1118 C ILE A 70 2.199 4.128 4.856 1.00 51.20 C ATOM 1119 O ILE A 70 1.527 3.269 5.427 1.00 51.24 O ATOM 1120 CB ILE A 70 3.289 2.994 2.902 1.00 15.21 C ATOM 1121 CG1 ILE A 70 4.622 2.721 2.205 1.00 23.20 C ATOM 1122 CG2 ILE A 70 2.350 3.753 1.972 1.00 3.04 C ATOM 1123 CD1 ILE A 70 5.455 3.966 1.986 1.00 2.23 C ATOM 0 H ILE A 70 4.266 2.036 5.102 1.00 45.33 H new ATOM 0 HA ILE A 70 4.051 4.707 3.963 1.00 74.24 H new ATOM 0 HB ILE A 70 2.817 2.045 3.154 1.00 15.21 H new ATOM 0 HG12 ILE A 70 5.195 2.010 2.800 1.00 23.20 H new ATOM 0 HG13 ILE A 70 4.429 2.248 1.242 1.00 23.20 H new ATOM 0 HG21 ILE A 70 2.197 3.176 1.060 1.00 3.04 H new ATOM 0 HG22 ILE A 70 1.392 3.907 2.469 1.00 3.04 H new ATOM 0 HG23 ILE A 70 2.788 4.719 1.721 1.00 3.04 H new ATOM 0 HD11 ILE A 70 6.386 3.698 1.487 1.00 2.23 H new ATOM 0 HD12 ILE A 70 4.901 4.670 1.365 1.00 2.23 H new ATOM 0 HD13 ILE A 70 5.679 4.428 2.948 1.00 2.23 H new ATOM 1135 N GLU A 71 1.835 5.400 4.757 1.00 53.30 N ATOM 1136 CA GLU A 71 0.569 5.888 5.268 1.00 0.00 C ATOM 1137 C GLU A 71 -0.473 5.871 4.157 1.00 45.34 C ATOM 1138 O GLU A 71 -0.332 6.567 3.144 1.00 30.41 O ATOM 1139 CB GLU A 71 0.738 7.306 5.812 1.00 41.25 C ATOM 1140 CG GLU A 71 -0.562 7.969 6.237 1.00 2.21 C ATOM 1141 CD GLU A 71 -0.428 8.723 7.542 1.00 73.53 C ATOM 1142 OE1 GLU A 71 0.555 9.481 7.701 1.00 43.33 O ATOM 1143 OE2 GLU A 71 -1.314 8.578 8.406 1.00 61.33 O ATOM 0 H GLU A 71 2.412 6.119 4.320 1.00 53.30 H new ATOM 0 HA GLU A 71 0.234 5.240 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.414 7.277 6.666 1.00 41.25 H new ATOM 0 HB3 GLU A 71 1.214 7.922 5.049 1.00 41.25 H new ATOM 0 HG2 GLU A 71 -0.888 8.656 5.456 1.00 2.21 H new ATOM 0 HG3 GLU A 71 -1.337 7.210 6.338 1.00 2.21 H new ATOM 1151 N VAL A 72 -1.505 5.069 4.337 1.00 72.13 N ATOM 1152 CA VAL A 72 -2.568 4.966 3.355 1.00 64.34 C ATOM 1153 C VAL A 72 -3.919 5.253 3.994 1.00 23.14 C ATOM 1154 O VAL A 72 -4.027 5.388 5.213 1.00 15.33 O ATOM 1155 CB VAL A 72 -2.602 3.574 2.682 1.00 21.32 C ATOM 1156 CG1 VAL A 72 -1.324 3.322 1.899 1.00 45.41 C ATOM 1157 CG2 VAL A 72 -2.825 2.476 3.712 1.00 1.43 C ATOM 0 H VAL A 72 -1.630 4.477 5.158 1.00 72.13 H new ATOM 0 HA VAL A 72 -2.362 5.711 2.586 1.00 64.34 H new ATOM 0 HB VAL A 72 -3.439 3.559 1.984 1.00 21.32 H new ATOM 0 HG11 VAL A 72 -1.370 2.337 1.434 1.00 45.41 H new ATOM 0 HG12 VAL A 72 -1.215 4.083 1.126 1.00 45.41 H new ATOM 0 HG13 VAL A 72 -0.469 3.365 2.574 1.00 45.41 H new ATOM 0 HG21 VAL A 72 -2.845 1.507 3.213 1.00 1.43 H new ATOM 0 HG22 VAL A 72 -2.015 2.492 4.442 1.00 1.43 H new ATOM 0 HG23 VAL A 72 -3.775 2.642 4.220 1.00 1.43 H new ATOM 1167 N GLU A 73 -4.940 5.361 3.167 1.00 70.52 N ATOM 1168 CA GLU A 73 -6.290 5.591 3.647 1.00 4.53 C ATOM 1169 C GLU A 73 -7.210 4.492 3.137 1.00 4.11 C ATOM 1170 O GLU A 73 -7.192 4.164 1.949 1.00 35.44 O ATOM 1171 CB GLU A 73 -6.778 6.966 3.190 1.00 32.43 C ATOM 1172 CG GLU A 73 -8.128 7.369 3.757 1.00 42.30 C ATOM 1173 CD GLU A 73 -8.452 8.823 3.489 1.00 74.45 C ATOM 1174 OE1 GLU A 73 -8.002 9.689 4.274 1.00 14.24 O ATOM 1175 OE2 GLU A 73 -9.150 9.114 2.497 1.00 60.30 O ATOM 0 H GLU A 73 -4.860 5.293 2.152 1.00 70.52 H new ATOM 0 HA GLU A 73 -6.297 5.570 4.737 1.00 4.53 H new ATOM 0 HB2 GLU A 73 -6.039 7.714 3.475 1.00 32.43 H new ATOM 0 HB3 GLU A 73 -6.837 6.975 2.102 1.00 32.43 H new ATOM 0 HG2 GLU A 73 -8.905 6.740 3.322 1.00 42.30 H new ATOM 0 HG3 GLU A 73 -8.137 7.189 4.832 1.00 42.30 H new ATOM 1183 N LEU A 74 -7.990 3.916 4.037 1.00 34.25 N ATOM 1184 CA LEU A 74 -8.913 2.846 3.682 1.00 3.52 C ATOM 1185 C LEU A 74 -10.094 3.443 2.923 1.00 70.34 C ATOM 1186 O LEU A 74 -10.871 4.215 3.489 1.00 72.22 O ATOM 1187 CB LEU A 74 -9.387 2.130 4.959 1.00 52.21 C ATOM 1188 CG LEU A 74 -9.901 0.686 4.802 1.00 0.42 C ATOM 1189 CD1 LEU A 74 -11.130 0.616 3.910 1.00 30.32 C ATOM 1190 CD2 LEU A 74 -8.805 -0.218 4.264 1.00 60.13 C ATOM 0 H LEU A 74 -8.003 4.172 5.024 1.00 34.25 H new ATOM 0 HA LEU A 74 -8.416 2.115 3.044 1.00 3.52 H new ATOM 0 HB2 LEU A 74 -8.560 2.120 5.668 1.00 52.21 H new ATOM 0 HB3 LEU A 74 -10.183 2.726 5.406 1.00 52.21 H new ATOM 0 HG LEU A 74 -10.192 0.336 5.793 1.00 0.42 H new ATOM 0 HD11 LEU A 74 -11.460 -0.419 3.826 1.00 30.32 H new ATOM 0 HD12 LEU A 74 -11.929 1.217 4.344 1.00 30.32 H new ATOM 0 HD13 LEU A 74 -10.883 1.000 2.920 1.00 30.32 H new ATOM 0 HD21 LEU A 74 -9.189 -1.233 4.161 1.00 60.13 H new ATOM 0 HD22 LEU A 74 -8.477 0.147 3.291 1.00 60.13 H new ATOM 0 HD23 LEU A 74 -7.961 -0.218 4.954 1.00 60.13 H new ATOM 1202 N GLU A 75 -10.216 3.100 1.642 1.00 54.52 N ATOM 1203 CA GLU A 75 -11.292 3.634 0.819 1.00 34.45 C ATOM 1204 C GLU A 75 -12.640 3.154 1.332 1.00 55.12 C ATOM 1205 O GLU A 75 -12.976 1.971 1.233 1.00 3.01 O ATOM 1206 CB GLU A 75 -11.126 3.240 -0.653 1.00 4.23 C ATOM 1207 CG GLU A 75 -12.257 3.755 -1.533 1.00 61.44 C ATOM 1208 CD GLU A 75 -12.095 3.385 -2.991 1.00 71.33 C ATOM 1209 OE1 GLU A 75 -12.438 2.243 -3.363 1.00 23.13 O ATOM 1210 OE2 GLU A 75 -11.646 4.243 -3.777 1.00 33.41 O ATOM 0 H GLU A 75 -9.587 2.460 1.157 1.00 54.52 H new ATOM 0 HA GLU A 75 -11.246 4.721 0.886 1.00 34.45 H new ATOM 0 HB2 GLU A 75 -10.178 3.629 -1.024 1.00 4.23 H new ATOM 0 HB3 GLU A 75 -11.077 2.154 -0.730 1.00 4.23 H new ATOM 0 HG2 GLU A 75 -13.203 3.357 -1.167 1.00 61.44 H new ATOM 0 HG3 GLU A 75 -12.312 4.840 -1.444 1.00 61.44 H new ATOM 1218 N HIS A 76 -13.400 4.080 1.895 1.00 71.23 N ATOM 1219 CA HIS A 76 -14.718 3.769 2.410 1.00 31.25 C ATOM 1220 C HIS A 76 -15.697 3.679 1.252 1.00 3.22 C ATOM 1221 O HIS A 76 -16.276 4.679 0.829 1.00 51.10 O ATOM 1222 CB HIS A 76 -15.166 4.827 3.429 1.00 53.41 C ATOM 1223 CG HIS A 76 -14.191 5.014 4.551 1.00 60.55 C ATOM 1224 ND1 HIS A 76 -13.650 6.236 4.882 1.00 62.34 N ATOM 1225 CD2 HIS A 76 -13.645 4.120 5.406 1.00 23.10 C ATOM 1226 CE1 HIS A 76 -12.812 6.083 5.888 1.00 63.30 C ATOM 1227 NE2 HIS A 76 -12.788 4.808 6.227 1.00 35.22 N ATOM 0 H HIS A 76 -13.123 5.055 2.006 1.00 71.23 H new ATOM 0 HA HIS A 76 -14.688 2.809 2.926 1.00 31.25 H new ATOM 0 HB2 HIS A 76 -15.308 5.779 2.917 1.00 53.41 H new ATOM 0 HB3 HIS A 76 -16.133 4.539 3.841 1.00 53.41 H new ATOM 0 HD2 HIS A 76 -13.847 3.059 5.437 1.00 23.10 H new ATOM 0 HE1 HIS A 76 -12.240 6.870 6.357 1.00 63.30 H new ATOM 0 HE2 HIS A 76 -12.226 4.402 6.975 1.00 35.22 H new ATOM 1236 N HIS A 77 -15.858 2.475 0.726 1.00 71.42 N ATOM 1237 CA HIS A 77 -16.680 2.258 -0.458 1.00 13.23 C ATOM 1238 C HIS A 77 -18.140 2.015 -0.076 1.00 41.42 C ATOM 1239 O HIS A 77 -18.798 1.113 -0.588 1.00 61.34 O ATOM 1240 CB HIS A 77 -16.119 1.109 -1.321 1.00 61.21 C ATOM 1241 CG HIS A 77 -15.914 -0.193 -0.601 1.00 35.12 C ATOM 1242 ND1 HIS A 77 -14.948 -0.588 0.264 1.00 62.24 N flip ATOM 1243 CD2 HIS A 77 -16.739 -1.282 -0.768 1.00 30.22 C flip ATOM 1244 CE1 HIS A 77 -15.210 -1.892 0.597 1.00 34.11 C flip ATOM 1245 NE2 HIS A 77 -16.296 -2.287 -0.039 1.00 73.34 N flip ATOM 0 H HIS A 77 -15.429 1.629 1.101 1.00 71.42 H new ATOM 0 HA HIS A 77 -16.647 3.165 -1.062 1.00 13.23 H new ATOM 0 HB2 HIS A 77 -16.797 0.940 -2.157 1.00 61.21 H new ATOM 0 HB3 HIS A 77 -15.165 1.426 -1.743 1.00 61.21 H new ATOM 0 HD2 HIS A 77 -17.615 -1.309 -1.399 1.00 30.22 H new ATOM 0 HE1 HIS A 77 -14.622 -2.498 1.271 1.00 34.11 H new ATOM 0 HE2 HIS A 77 -16.721 -3.212 0.023 1.00 73.34 H new ATOM 1254 N HIS A 78 -18.628 2.849 0.831 1.00 23.33 N ATOM 1255 CA HIS A 78 -20.032 2.863 1.220 1.00 5.50 C ATOM 1256 C HIS A 78 -20.355 4.243 1.773 1.00 34.30 C ATOM 1257 O HIS A 78 -19.505 4.870 2.408 1.00 15.23 O ATOM 1258 CB HIS A 78 -20.347 1.769 2.257 1.00 51.00 C ATOM 1259 CG HIS A 78 -19.828 2.041 3.640 1.00 65.21 C ATOM 1260 ND1 HIS A 78 -20.629 2.488 4.665 1.00 52.02 N ATOM 1261 CD2 HIS A 78 -18.588 1.916 4.166 1.00 64.42 C ATOM 1262 CE1 HIS A 78 -19.909 2.627 5.759 1.00 64.14 C ATOM 1263 NE2 HIS A 78 -18.665 2.286 5.485 1.00 54.24 N ATOM 0 H HIS A 78 -18.058 3.539 1.321 1.00 23.33 H new ATOM 0 HA HIS A 78 -20.651 2.651 0.348 1.00 5.50 H new ATOM 0 HB2 HIS A 78 -21.428 1.639 2.309 1.00 51.00 H new ATOM 0 HB3 HIS A 78 -19.929 0.825 1.907 1.00 51.00 H new ATOM 0 HD2 HIS A 78 -17.702 1.586 3.644 1.00 64.42 H new ATOM 0 HE1 HIS A 78 -20.275 2.963 6.718 1.00 64.14 H new ATOM 0 HE2 HIS A 78 -17.888 2.296 6.145 1.00 54.24 H new ATOM 1272 N HIS A 79 -21.562 4.721 1.539 1.00 5.14 N ATOM 1273 CA HIS A 79 -21.903 6.085 1.910 1.00 1.13 C ATOM 1274 C HIS A 79 -23.155 6.134 2.771 1.00 72.21 C ATOM 1275 O HIS A 79 -24.110 5.387 2.548 1.00 72.21 O ATOM 1276 CB HIS A 79 -22.080 6.959 0.657 1.00 65.03 C ATOM 1277 CG HIS A 79 -23.175 6.509 -0.264 1.00 62.25 C ATOM 1278 ND1 HIS A 79 -22.990 5.564 -1.247 1.00 61.03 N ATOM 1279 CD2 HIS A 79 -24.472 6.886 -0.349 1.00 13.24 C ATOM 1280 CE1 HIS A 79 -24.122 5.381 -1.897 1.00 51.31 C ATOM 1281 NE2 HIS A 79 -25.038 6.171 -1.372 1.00 31.02 N ATOM 0 H HIS A 79 -22.316 4.194 1.099 1.00 5.14 H new ATOM 0 HA HIS A 79 -21.077 6.481 2.501 1.00 1.13 H new ATOM 0 HB2 HIS A 79 -22.283 7.983 0.969 1.00 65.03 H new ATOM 0 HB3 HIS A 79 -21.141 6.974 0.104 1.00 65.03 H new ATOM 0 HD2 HIS A 79 -24.969 7.615 0.274 1.00 13.24 H new ATOM 0 HE1 HIS A 79 -24.274 4.699 -2.721 1.00 51.31 H new ATOM 0 HE2 HIS A 79 -26.009 6.239 -1.677 1.00 31.02 H new ATOM 1290 N HIS A 80 -23.139 7.009 3.763 1.00 2.51 N ATOM 1291 CA HIS A 80 -24.320 7.256 4.578 1.00 51.31 C ATOM 1292 C HIS A 80 -25.114 8.397 3.956 1.00 42.12 C ATOM 1293 O HIS A 80 -26.302 8.565 4.213 1.00 25.13 O ATOM 1294 CB HIS A 80 -23.921 7.591 6.018 1.00 23.23 C ATOM 1295 CG HIS A 80 -25.062 7.559 6.990 1.00 31.54 C ATOM 1296 ND1 HIS A 80 -25.602 8.688 7.562 1.00 34.44 N ATOM 1297 CD2 HIS A 80 -25.752 6.515 7.501 1.00 53.12 C ATOM 1298 CE1 HIS A 80 -26.573 8.340 8.385 1.00 74.03 C ATOM 1299 NE2 HIS A 80 -26.686 7.025 8.369 1.00 34.14 N ATOM 0 H HIS A 80 -22.322 7.561 4.024 1.00 2.51 H new ATOM 0 HA HIS A 80 -24.938 6.359 4.609 1.00 51.31 H new ATOM 0 HB2 HIS A 80 -23.158 6.885 6.346 1.00 23.23 H new ATOM 0 HB3 HIS A 80 -23.468 8.582 6.037 1.00 23.23 H new ATOM 0 HD2 HIS A 80 -25.597 5.472 7.269 1.00 53.12 H new ATOM 0 HE1 HIS A 80 -27.174 9.017 8.973 1.00 74.03 H new ATOM 0 HE2 HIS A 80 -27.355 6.479 8.911 1.00 34.14 H new ATOM 1308 N HIS A 81 -24.425 9.170 3.130 1.00 11.33 N ATOM 1309 CA HIS A 81 -25.031 10.245 2.365 1.00 55.44 C ATOM 1310 C HIS A 81 -24.139 10.565 1.178 1.00 61.22 C ATOM 1311 O HIS A 81 -24.459 10.130 0.056 1.00 39.13 O ATOM 1312 CB HIS A 81 -25.226 11.500 3.223 1.00 54.31 C ATOM 1313 CG HIS A 81 -25.823 12.649 2.468 1.00 4.42 C ATOM 1314 ND1 HIS A 81 -25.070 13.650 1.889 1.00 14.43 N ATOM 1315 CD2 HIS A 81 -27.112 12.949 2.194 1.00 24.12 C ATOM 1316 CE1 HIS A 81 -25.872 14.513 1.294 1.00 13.43 C ATOM 1317 NE2 HIS A 81 -27.114 14.109 1.463 1.00 33.25 N ATOM 1318 OXT HIS A 81 -23.094 11.211 1.390 1.00 39.13 O ATOM 0 H HIS A 81 -23.423 9.067 2.972 1.00 11.33 H new ATOM 0 HA HIS A 81 -26.014 9.921 2.023 1.00 55.44 H new ATOM 0 HB2 HIS A 81 -25.869 11.257 4.069 1.00 54.31 H new ATOM 0 HB3 HIS A 81 -24.263 11.805 3.632 1.00 54.31 H new ATOM 0 HD2 HIS A 81 -27.980 12.380 2.495 1.00 24.12 H new ATOM 0 HE1 HIS A 81 -25.563 15.399 0.760 1.00 13.43 H new ATOM 0 HE2 HIS A 81 -27.944 14.583 1.107 1.00 33.25 H new TER 1327 HIS A 81