USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 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 1 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 19 HIS : no HD1:sc= 1.05 K(o=1,f=-5.5!) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.43 (180deg=0.588) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc=-0.00334 (180deg=-0.0835) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0223 USER MOD Single : A 11 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0.545 (180deg=0.453) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -117:sc= -2.27! (180deg=-6.19!) USER MOD Single : A 31 MET CE :methyl -136:sc= -2.97! (180deg=-3.94!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00747 USER MOD Single : A 37 CYS SG : rot 167:sc= 0.623 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.699 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0432 (180deg=-0.318) USER MOD Single : A 52 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.3) USER MOD Single : A 54 ASN : amide:sc= -0.52 K(o=-0.52,f=-5.3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 44:sc= 0.0638 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -171:sc= -1.23 (180deg=-1.37) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.24) 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=-0.0094) USER MOD Single : A 80 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.528 4.994 13.228 1.00 23.23 N ATOM 2 CA MET A 1 -1.383 5.397 12.090 1.00 61.12 C ATOM 3 C MET A 1 -1.785 4.167 11.285 1.00 62.24 C ATOM 4 O MET A 1 -1.312 3.063 11.553 1.00 51.12 O ATOM 5 CB MET A 1 -0.658 6.406 11.185 1.00 34.33 C ATOM 6 CG MET A 1 0.494 5.819 10.375 1.00 42.03 C ATOM 7 SD MET A 1 1.881 5.275 11.390 1.00 5.33 S ATOM 8 CE MET A 1 3.021 4.705 10.130 1.00 63.31 C ATOM 0 H1 MET A 1 -0.665 5.658 14.017 1.00 23.23 H new ATOM 0 H2 MET A 1 -0.787 4.034 13.534 1.00 23.23 H new ATOM 0 H3 MET A 1 0.470 5.006 12.934 1.00 23.23 H new ATOM 0 HA MET A 1 -2.277 5.878 12.486 1.00 61.12 H new ATOM 0 HB2 MET A 1 -1.382 6.844 10.498 1.00 34.33 H new ATOM 0 HB3 MET A 1 -0.274 7.218 11.803 1.00 34.33 H new ATOM 0 HG2 MET A 1 0.126 4.974 9.794 1.00 42.03 H new ATOM 0 HG3 MET A 1 0.845 6.566 9.663 1.00 42.03 H new ATOM 0 HE1 MET A 1 3.671 3.937 10.548 1.00 63.31 H new ATOM 0 HE2 MET A 1 2.460 4.289 9.293 1.00 63.31 H new ATOM 0 HE3 MET A 1 3.626 5.542 9.781 1.00 63.31 H new ATOM 18 N PHE A 2 -2.640 4.354 10.291 1.00 72.34 N ATOM 19 CA PHE A 2 -3.077 3.244 9.464 1.00 34.34 C ATOM 20 C PHE A 2 -2.070 3.013 8.345 1.00 34.14 C ATOM 21 O PHE A 2 -2.011 3.766 7.373 1.00 70.22 O ATOM 22 CB PHE A 2 -4.474 3.505 8.892 1.00 51.21 C ATOM 23 CG PHE A 2 -5.062 2.314 8.191 1.00 43.25 C ATOM 24 CD1 PHE A 2 -5.578 1.254 8.922 1.00 73.41 C ATOM 25 CD2 PHE A 2 -5.093 2.247 6.808 1.00 23.52 C ATOM 26 CE1 PHE A 2 -6.116 0.153 8.284 1.00 41.32 C ATOM 27 CE2 PHE A 2 -5.627 1.149 6.167 1.00 22.11 C ATOM 28 CZ PHE A 2 -6.140 0.100 6.905 1.00 50.20 C ATOM 0 H PHE A 2 -3.041 5.257 10.040 1.00 72.34 H new ATOM 0 HA PHE A 2 -3.135 2.347 10.080 1.00 34.34 H new ATOM 0 HB2 PHE A 2 -5.139 3.807 9.701 1.00 51.21 H new ATOM 0 HB3 PHE A 2 -4.423 4.340 8.193 1.00 51.21 H new ATOM 0 HD1 PHE A 2 -5.559 1.290 10.001 1.00 73.41 H new ATOM 0 HD2 PHE A 2 -4.694 3.064 6.225 1.00 23.52 H new ATOM 0 HE1 PHE A 2 -6.517 -0.665 8.864 1.00 41.32 H new ATOM 0 HE2 PHE A 2 -5.644 1.109 5.088 1.00 22.11 H new ATOM 0 HZ PHE A 2 -6.559 -0.760 6.404 1.00 50.20 H new ATOM 38 N SER A 3 -1.255 1.988 8.513 1.00 74.45 N ATOM 39 CA SER A 3 -0.231 1.660 7.539 1.00 74.33 C ATOM 40 C SER A 3 -0.763 0.645 6.536 1.00 2.53 C ATOM 41 O SER A 3 -1.708 -0.085 6.831 1.00 53.31 O ATOM 42 CB SER A 3 0.994 1.098 8.259 1.00 42.41 C ATOM 43 OG SER A 3 1.345 1.910 9.368 1.00 73.21 O ATOM 0 H SER A 3 -1.283 1.365 9.320 1.00 74.45 H new ATOM 0 HA SER A 3 0.052 2.563 6.998 1.00 74.33 H new ATOM 0 HB2 SER A 3 0.788 0.082 8.597 1.00 42.41 H new ATOM 0 HB3 SER A 3 1.833 1.039 7.566 1.00 42.41 H new ATOM 0 HG SER A 3 2.130 1.531 9.815 1.00 73.21 H new ATOM 49 N LEU A 4 -0.157 0.601 5.356 1.00 42.25 N ATOM 50 CA LEU A 4 -0.545 -0.356 4.324 1.00 64.22 C ATOM 51 C LEU A 4 -0.326 -1.786 4.817 1.00 23.42 C ATOM 52 O LEU A 4 -1.032 -2.710 4.420 1.00 13.45 O ATOM 53 CB LEU A 4 0.254 -0.102 3.042 1.00 72.24 C ATOM 54 CG LEU A 4 -0.130 -0.969 1.841 1.00 34.12 C ATOM 55 CD1 LEU A 4 -1.609 -0.816 1.526 1.00 12.44 C ATOM 56 CD2 LEU A 4 0.712 -0.592 0.634 1.00 14.32 C ATOM 0 H LEU A 4 0.609 1.219 5.088 1.00 42.25 H new ATOM 0 HA LEU A 4 -1.605 -0.226 4.105 1.00 64.22 H new ATOM 0 HB2 LEU A 4 0.137 0.945 2.764 1.00 72.24 H new ATOM 0 HB3 LEU A 4 1.311 -0.258 3.257 1.00 72.24 H new ATOM 0 HG LEU A 4 0.062 -2.013 2.088 1.00 34.12 H new ATOM 0 HD11 LEU A 4 -1.865 -1.439 0.669 1.00 12.44 H new ATOM 0 HD12 LEU A 4 -2.199 -1.125 2.389 1.00 12.44 H new ATOM 0 HD13 LEU A 4 -1.826 0.227 1.294 1.00 12.44 H new ATOM 0 HD21 LEU A 4 0.431 -1.215 -0.215 1.00 14.32 H new ATOM 0 HD22 LEU A 4 0.544 0.456 0.386 1.00 14.32 H new ATOM 0 HD23 LEU A 4 1.766 -0.746 0.863 1.00 14.32 H new ATOM 68 N ARG A 5 0.655 -1.947 5.695 1.00 22.12 N ATOM 69 CA ARG A 5 0.936 -3.228 6.332 1.00 73.05 C ATOM 70 C ARG A 5 -0.256 -3.677 7.182 1.00 52.22 C ATOM 71 O ARG A 5 -0.498 -4.869 7.360 1.00 43.11 O ATOM 72 CB ARG A 5 2.172 -3.073 7.222 1.00 34.33 C ATOM 73 CG ARG A 5 3.095 -4.282 7.268 1.00 53.34 C ATOM 74 CD ARG A 5 2.446 -5.497 7.915 1.00 23.02 C ATOM 75 NE ARG A 5 1.767 -5.177 9.172 1.00 10.32 N ATOM 76 CZ ARG A 5 2.377 -4.821 10.302 1.00 71.43 C ATOM 77 NH1 ARG A 5 3.692 -4.625 10.333 1.00 40.33 N ATOM 78 NH2 ARG A 5 1.657 -4.634 11.396 1.00 32.14 N ATOM 0 H ARG A 5 1.278 -1.194 5.986 1.00 22.12 H new ATOM 0 HA ARG A 5 1.116 -3.981 5.565 1.00 73.05 H new ATOM 0 HB2 ARG A 5 2.744 -2.213 6.875 1.00 34.33 H new ATOM 0 HB3 ARG A 5 1.843 -2.849 8.237 1.00 34.33 H new ATOM 0 HG2 ARG A 5 3.402 -4.537 6.254 1.00 53.34 H new ATOM 0 HG3 ARG A 5 3.999 -4.022 7.819 1.00 53.34 H new ATOM 0 HD2 ARG A 5 1.728 -5.932 7.220 1.00 23.02 H new ATOM 0 HD3 ARG A 5 3.208 -6.254 8.102 1.00 23.02 H new ATOM 0 HE ARG A 5 0.748 -5.231 9.184 1.00 10.32 H new ATOM 0 HH11 ARG A 5 4.246 -4.747 9.485 1.00 40.33 H new ATOM 0 HH12 ARG A 5 4.147 -4.353 11.205 1.00 40.33 H new ATOM 0 HH21 ARG A 5 0.645 -4.762 11.369 1.00 32.14 H new ATOM 0 HH22 ARG A 5 2.113 -4.361 12.267 1.00 32.14 H new ATOM 92 N ASP A 6 -0.998 -2.703 7.694 1.00 21.42 N ATOM 93 CA ASP A 6 -2.090 -2.966 8.627 1.00 73.01 C ATOM 94 C ASP A 6 -3.406 -3.146 7.875 1.00 52.23 C ATOM 95 O ASP A 6 -4.445 -3.440 8.465 1.00 42.02 O ATOM 96 CB ASP A 6 -2.194 -1.812 9.630 1.00 53.15 C ATOM 97 CG ASP A 6 -3.046 -2.144 10.841 1.00 75.13 C ATOM 98 OD1 ASP A 6 -3.938 -1.337 11.190 1.00 52.12 O ATOM 99 OD2 ASP A 6 -2.814 -3.202 11.465 1.00 4.43 O ATOM 0 H ASP A 6 -0.863 -1.715 7.477 1.00 21.42 H new ATOM 0 HA ASP A 6 -1.884 -3.890 9.168 1.00 73.01 H new ATOM 0 HB2 ASP A 6 -1.193 -1.538 9.963 1.00 53.15 H new ATOM 0 HB3 ASP A 6 -2.613 -0.940 9.128 1.00 53.15 H new ATOM 105 N ALA A 7 -3.345 -2.969 6.563 1.00 0.03 N ATOM 106 CA ALA A 7 -4.509 -3.155 5.712 1.00 32.42 C ATOM 107 C ALA A 7 -4.749 -4.637 5.450 1.00 4.14 C ATOM 108 O ALA A 7 -3.848 -5.463 5.615 1.00 23.31 O ATOM 109 CB ALA A 7 -4.337 -2.403 4.401 1.00 30.32 C ATOM 0 H ALA A 7 -2.498 -2.696 6.064 1.00 0.03 H new ATOM 0 HA ALA A 7 -5.380 -2.752 6.229 1.00 32.42 H new ATOM 0 HB1 ALA A 7 -5.218 -2.554 3.777 1.00 30.32 H new ATOM 0 HB2 ALA A 7 -4.215 -1.339 4.605 1.00 30.32 H new ATOM 0 HB3 ALA A 7 -3.455 -2.776 3.880 1.00 30.32 H new ATOM 115 N LYS A 8 -5.965 -4.973 5.047 1.00 32.41 N ATOM 116 CA LYS A 8 -6.329 -6.362 4.805 1.00 71.20 C ATOM 117 C LYS A 8 -6.623 -6.584 3.326 1.00 74.24 C ATOM 118 O LYS A 8 -7.006 -5.654 2.612 1.00 3.13 O ATOM 119 CB LYS A 8 -7.542 -6.778 5.655 1.00 44.52 C ATOM 120 CG LYS A 8 -7.271 -6.852 7.157 1.00 23.21 C ATOM 121 CD LYS A 8 -7.180 -5.476 7.792 1.00 5.11 C ATOM 122 CE LYS A 8 -6.771 -5.554 9.258 1.00 64.34 C ATOM 123 NZ LYS A 8 -7.745 -6.332 10.072 1.00 51.03 N ATOM 0 H LYS A 8 -6.717 -4.304 4.881 1.00 32.41 H new ATOM 0 HA LYS A 8 -5.483 -6.984 5.096 1.00 71.20 H new ATOM 0 HB2 LYS A 8 -8.352 -6.070 5.480 1.00 44.52 H new ATOM 0 HB3 LYS A 8 -7.891 -7.753 5.314 1.00 44.52 H new ATOM 0 HG2 LYS A 8 -8.065 -7.421 7.640 1.00 23.21 H new ATOM 0 HG3 LYS A 8 -6.340 -7.393 7.330 1.00 23.21 H new ATOM 0 HD2 LYS A 8 -6.457 -4.871 7.245 1.00 5.11 H new ATOM 0 HD3 LYS A 8 -8.144 -4.974 7.710 1.00 5.11 H new ATOM 0 HE2 LYS A 8 -5.786 -6.014 9.335 1.00 64.34 H new ATOM 0 HE3 LYS A 8 -6.684 -4.546 9.664 1.00 64.34 H new ATOM 0 HZ1 LYS A 8 -7.482 -6.274 11.077 1.00 51.03 H new ATOM 0 HZ2 LYS A 8 -8.699 -5.940 9.940 1.00 51.03 H new ATOM 0 HZ3 LYS A 8 -7.735 -7.327 9.769 1.00 51.03 H new ATOM 137 N CYS A 9 -6.444 -7.820 2.878 1.00 43.31 N ATOM 138 CA CYS A 9 -6.633 -8.171 1.474 1.00 72.24 C ATOM 139 C CYS A 9 -8.089 -7.985 1.045 1.00 4.34 C ATOM 140 O CYS A 9 -9.002 -8.045 1.870 1.00 34.03 O ATOM 141 CB CYS A 9 -6.200 -9.620 1.228 1.00 42.04 C ATOM 142 SG CYS A 9 -7.040 -10.834 2.275 1.00 22.31 S ATOM 0 H CYS A 9 -6.166 -8.602 3.471 1.00 43.31 H new ATOM 0 HA CYS A 9 -6.014 -7.502 0.877 1.00 72.24 H new ATOM 0 HB2 CYS A 9 -6.383 -9.870 0.183 1.00 42.04 H new ATOM 0 HB3 CYS A 9 -5.125 -9.699 1.391 1.00 42.04 H new ATOM 0 HG CYS A 9 -6.607 -12.026 1.990 1.00 22.31 H new ATOM 148 N GLY A 10 -8.291 -7.736 -0.243 1.00 64.31 N ATOM 149 CA GLY A 10 -9.633 -7.599 -0.777 1.00 23.34 C ATOM 150 C GLY A 10 -10.132 -6.167 -0.744 1.00 14.45 C ATOM 151 O GLY A 10 -11.217 -5.868 -1.246 1.00 62.34 O ATOM 0 H GLY A 10 -7.545 -7.626 -0.930 1.00 64.31 H new ATOM 0 HA2 GLY A 10 -9.650 -7.962 -1.805 1.00 23.34 H new ATOM 0 HA3 GLY A 10 -10.313 -8.230 -0.205 1.00 23.34 H new ATOM 155 N GLN A 11 -9.339 -5.281 -0.159 1.00 53.44 N ATOM 156 CA GLN A 11 -9.721 -3.883 -0.021 1.00 40.13 C ATOM 157 C GLN A 11 -8.801 -2.984 -0.839 1.00 44.33 C ATOM 158 O GLN A 11 -7.737 -3.413 -1.294 1.00 65.32 O ATOM 159 CB GLN A 11 -9.690 -3.475 1.451 1.00 63.11 C ATOM 160 CG GLN A 11 -10.673 -4.250 2.312 1.00 44.35 C ATOM 161 CD GLN A 11 -10.551 -3.921 3.784 1.00 51.15 C ATOM 162 OE1 GLN A 11 -11.200 -3.006 4.285 1.00 5.31 O ATOM 163 NE2 GLN A 11 -9.729 -4.674 4.490 1.00 22.23 N ATOM 0 H GLN A 11 -8.423 -5.507 0.229 1.00 53.44 H new ATOM 0 HA GLN A 11 -10.736 -3.765 -0.401 1.00 40.13 H new ATOM 0 HB2 GLN A 11 -8.683 -3.622 1.840 1.00 63.11 H new ATOM 0 HB3 GLN A 11 -9.910 -2.410 1.530 1.00 63.11 H new ATOM 0 HG2 GLN A 11 -11.688 -4.035 1.979 1.00 44.35 H new ATOM 0 HG3 GLN A 11 -10.511 -5.318 2.169 1.00 44.35 H new ATOM 0 HE21 GLN A 11 -9.208 -5.424 4.036 1.00 22.23 H new ATOM 0 HE22 GLN A 11 -9.615 -4.506 5.490 1.00 22.23 H new ATOM 172 N THR A 12 -9.225 -1.745 -1.031 1.00 70.01 N ATOM 173 CA THR A 12 -8.454 -0.774 -1.787 1.00 61.10 C ATOM 174 C THR A 12 -8.109 0.423 -0.907 1.00 34.53 C ATOM 175 O THR A 12 -8.947 0.906 -0.144 1.00 33.54 O ATOM 176 CB THR A 12 -9.246 -0.301 -3.020 1.00 32.13 C ATOM 177 OG1 THR A 12 -9.760 -1.441 -3.723 1.00 44.22 O ATOM 178 CG2 THR A 12 -8.373 0.522 -3.956 1.00 22.11 C ATOM 0 H THR A 12 -10.109 -1.387 -0.669 1.00 70.01 H new ATOM 0 HA THR A 12 -7.532 -1.250 -2.121 1.00 61.10 H new ATOM 0 HB THR A 12 -10.066 0.330 -2.678 1.00 32.13 H new ATOM 0 HG1 THR A 12 -10.266 -1.141 -4.507 1.00 44.22 H new ATOM 0 HG21 THR A 12 -8.962 0.841 -4.816 1.00 22.11 H new ATOM 0 HG22 THR A 12 -7.999 1.399 -3.428 1.00 22.11 H new ATOM 0 HG23 THR A 12 -7.532 -0.083 -4.296 1.00 22.11 H new ATOM 186 N VAL A 13 -6.871 0.883 -0.994 1.00 34.54 N ATOM 187 CA VAL A 13 -6.419 2.005 -0.191 1.00 13.31 C ATOM 188 C VAL A 13 -5.853 3.114 -1.068 1.00 2.32 C ATOM 189 O VAL A 13 -5.460 2.876 -2.209 1.00 35.23 O ATOM 190 CB VAL A 13 -5.344 1.578 0.830 1.00 11.25 C ATOM 191 CG1 VAL A 13 -5.896 0.552 1.809 1.00 62.25 C ATOM 192 CG2 VAL A 13 -4.115 1.031 0.118 1.00 22.24 C ATOM 0 H VAL A 13 -6.161 0.495 -1.615 1.00 34.54 H new ATOM 0 HA VAL A 13 -7.291 2.375 0.347 1.00 13.31 H new ATOM 0 HB VAL A 13 -5.050 2.461 1.397 1.00 11.25 H new ATOM 0 HG11 VAL A 13 -5.117 0.269 2.517 1.00 62.25 H new ATOM 0 HG12 VAL A 13 -6.739 0.982 2.350 1.00 62.25 H new ATOM 0 HG13 VAL A 13 -6.228 -0.331 1.262 1.00 62.25 H new ATOM 0 HG21 VAL A 13 -3.369 0.735 0.855 1.00 22.24 H new ATOM 0 HG22 VAL A 13 -4.397 0.165 -0.480 1.00 22.24 H new ATOM 0 HG23 VAL A 13 -3.698 1.801 -0.532 1.00 22.24 H new ATOM 202 N LYS A 14 -5.830 4.323 -0.530 1.00 53.25 N ATOM 203 CA LYS A 14 -5.214 5.452 -1.202 1.00 13.53 C ATOM 204 C LYS A 14 -3.973 5.885 -0.436 1.00 33.40 C ATOM 205 O LYS A 14 -4.051 6.204 0.747 1.00 32.12 O ATOM 206 CB LYS A 14 -6.188 6.624 -1.282 1.00 45.41 C ATOM 207 CG LYS A 14 -5.637 7.811 -2.048 1.00 52.33 C ATOM 208 CD LYS A 14 -6.489 9.050 -1.847 1.00 74.04 C ATOM 209 CE LYS A 14 -7.947 8.789 -2.180 1.00 42.14 C ATOM 210 NZ LYS A 14 -8.771 10.018 -2.059 1.00 64.31 N ATOM 0 H LYS A 14 -6.235 4.547 0.379 1.00 53.25 H new ATOM 0 HA LYS A 14 -4.941 5.148 -2.213 1.00 13.53 H new ATOM 0 HB2 LYS A 14 -7.110 6.289 -1.758 1.00 45.41 H new ATOM 0 HB3 LYS A 14 -6.448 6.941 -0.272 1.00 45.41 H new ATOM 0 HG2 LYS A 14 -4.617 8.013 -1.722 1.00 52.33 H new ATOM 0 HG3 LYS A 14 -5.590 7.569 -3.110 1.00 52.33 H new ATOM 0 HD2 LYS A 14 -6.406 9.385 -0.813 1.00 74.04 H new ATOM 0 HD3 LYS A 14 -6.111 9.857 -2.475 1.00 74.04 H new ATOM 0 HE2 LYS A 14 -8.023 8.399 -3.195 1.00 42.14 H new ATOM 0 HE3 LYS A 14 -8.340 8.021 -1.513 1.00 42.14 H new ATOM 0 HZ1 LYS A 14 -9.760 9.798 -2.295 1.00 64.31 H new ATOM 0 HZ2 LYS A 14 -8.719 10.376 -1.084 1.00 64.31 H new ATOM 0 HZ3 LYS A 14 -8.412 10.742 -2.714 1.00 64.31 H new ATOM 224 N VAL A 15 -2.835 5.891 -1.103 1.00 54.22 N ATOM 225 CA VAL A 15 -1.586 6.285 -0.464 1.00 42.11 C ATOM 226 C VAL A 15 -1.557 7.787 -0.222 1.00 21.43 C ATOM 227 O VAL A 15 -1.681 8.570 -1.158 1.00 10.30 O ATOM 228 CB VAL A 15 -0.374 5.889 -1.320 1.00 62.44 C ATOM 229 CG1 VAL A 15 0.925 6.213 -0.600 1.00 5.34 C ATOM 230 CG2 VAL A 15 -0.448 4.416 -1.676 1.00 54.31 C ATOM 0 H VAL A 15 -2.745 5.629 -2.085 1.00 54.22 H new ATOM 0 HA VAL A 15 -1.530 5.762 0.491 1.00 42.11 H new ATOM 0 HB VAL A 15 -0.393 6.468 -2.243 1.00 62.44 H new ATOM 0 HG11 VAL A 15 1.770 5.924 -1.225 1.00 5.34 H new ATOM 0 HG12 VAL A 15 0.972 7.283 -0.399 1.00 5.34 H new ATOM 0 HG13 VAL A 15 0.966 5.665 0.341 1.00 5.34 H new ATOM 0 HG21 VAL A 15 0.416 4.145 -2.283 1.00 54.31 H new ATOM 0 HG22 VAL A 15 -0.451 3.821 -0.763 1.00 54.31 H new ATOM 0 HG23 VAL A 15 -1.362 4.223 -2.238 1.00 54.31 H new ATOM 240 N VAL A 16 -1.396 8.191 1.027 1.00 22.11 N ATOM 241 CA VAL A 16 -1.388 9.609 1.354 1.00 13.51 C ATOM 242 C VAL A 16 -0.025 10.081 1.840 1.00 61.14 C ATOM 243 O VAL A 16 0.423 11.167 1.478 1.00 3.04 O ATOM 244 CB VAL A 16 -2.470 9.968 2.399 1.00 12.52 C ATOM 245 CG1 VAL A 16 -3.845 10.003 1.751 1.00 64.20 C ATOM 246 CG2 VAL A 16 -2.462 8.985 3.560 1.00 53.35 C ATOM 0 H VAL A 16 -1.270 7.566 1.824 1.00 22.11 H new ATOM 0 HA VAL A 16 -1.618 10.130 0.425 1.00 13.51 H new ATOM 0 HB VAL A 16 -2.239 10.958 2.791 1.00 12.52 H new ATOM 0 HG11 VAL A 16 -4.594 10.257 2.501 1.00 64.20 H new ATOM 0 HG12 VAL A 16 -3.855 10.752 0.959 1.00 64.20 H new ATOM 0 HG13 VAL A 16 -4.073 9.025 1.328 1.00 64.20 H new ATOM 0 HG21 VAL A 16 -3.233 9.264 4.278 1.00 53.35 H new ATOM 0 HG22 VAL A 16 -2.659 7.980 3.187 1.00 53.35 H new ATOM 0 HG23 VAL A 16 -1.488 9.006 4.048 1.00 53.35 H new ATOM 256 N LYS A 17 0.644 9.274 2.642 1.00 44.21 N ATOM 257 CA LYS A 17 1.934 9.671 3.184 1.00 0.13 C ATOM 258 C LYS A 17 2.962 8.562 3.074 1.00 24.42 C ATOM 259 O LYS A 17 2.740 7.438 3.523 1.00 45.05 O ATOM 260 CB LYS A 17 1.797 10.106 4.641 1.00 4.34 C ATOM 261 CG LYS A 17 1.401 11.563 4.811 1.00 70.43 C ATOM 262 CD LYS A 17 1.165 11.893 6.272 1.00 55.44 C ATOM 263 CE LYS A 17 -0.250 11.542 6.703 1.00 71.45 C ATOM 264 NZ LYS A 17 -0.383 11.464 8.183 1.00 65.24 N ATOM 0 H LYS A 17 0.322 8.350 2.931 1.00 44.21 H new ATOM 0 HA LYS A 17 2.284 10.514 2.588 1.00 0.13 H new ATOM 0 HB2 LYS A 17 1.053 9.477 5.130 1.00 4.34 H new ATOM 0 HB3 LYS A 17 2.744 9.935 5.152 1.00 4.34 H new ATOM 0 HG2 LYS A 17 2.185 12.206 4.411 1.00 70.43 H new ATOM 0 HG3 LYS A 17 0.497 11.768 4.237 1.00 70.43 H new ATOM 0 HD2 LYS A 17 1.880 11.348 6.889 1.00 55.44 H new ATOM 0 HD3 LYS A 17 1.344 12.955 6.439 1.00 55.44 H new ATOM 0 HE2 LYS A 17 -0.942 12.290 6.317 1.00 71.45 H new ATOM 0 HE3 LYS A 17 -0.536 10.586 6.263 1.00 71.45 H new ATOM 0 HZ1 LYS A 17 -1.382 11.323 8.435 1.00 65.24 H new ATOM 0 HZ2 LYS A 17 0.180 10.666 8.541 1.00 65.24 H new ATOM 0 HZ3 LYS A 17 -0.040 12.348 8.609 1.00 65.24 H new ATOM 278 N LEU A 18 4.095 8.894 2.487 1.00 5.53 N ATOM 279 CA LEU A 18 5.209 7.970 2.400 1.00 30.12 C ATOM 280 C LEU A 18 6.230 8.316 3.478 1.00 52.21 C ATOM 281 O LEU A 18 6.963 9.294 3.349 1.00 43.02 O ATOM 282 CB LEU A 18 5.863 8.032 1.011 1.00 4.05 C ATOM 283 CG LEU A 18 4.987 7.579 -0.166 1.00 24.41 C ATOM 284 CD1 LEU A 18 5.767 7.680 -1.468 1.00 33.30 C ATOM 285 CD2 LEU A 18 4.493 6.156 0.049 1.00 24.40 C ATOM 0 H LEU A 18 4.269 9.804 2.060 1.00 5.53 H new ATOM 0 HA LEU A 18 4.842 6.955 2.554 1.00 30.12 H new ATOM 0 HB2 LEU A 18 6.182 9.058 0.827 1.00 4.05 H new ATOM 0 HB3 LEU A 18 6.762 7.416 1.027 1.00 4.05 H new ATOM 0 HG LEU A 18 4.119 8.236 -0.225 1.00 24.41 H new ATOM 0 HD11 LEU A 18 5.136 7.356 -2.296 1.00 33.30 H new ATOM 0 HD12 LEU A 18 6.075 8.713 -1.629 1.00 33.30 H new ATOM 0 HD13 LEU A 18 6.650 7.043 -1.414 1.00 33.30 H new ATOM 0 HD21 LEU A 18 3.874 5.854 -0.796 1.00 24.40 H new ATOM 0 HD22 LEU A 18 5.347 5.483 0.132 1.00 24.40 H new ATOM 0 HD23 LEU A 18 3.904 6.110 0.965 1.00 24.40 H new ATOM 297 N HIS A 19 6.263 7.526 4.551 1.00 11.14 N ATOM 298 CA HIS A 19 7.165 7.793 5.671 1.00 52.14 C ATOM 299 C HIS A 19 8.591 7.381 5.325 1.00 33.13 C ATOM 300 O HIS A 19 9.516 7.600 6.107 1.00 42.21 O ATOM 301 CB HIS A 19 6.701 7.060 6.939 1.00 65.20 C ATOM 302 CG HIS A 19 5.400 7.562 7.501 1.00 53.42 C ATOM 303 ND1 HIS A 19 5.227 7.880 8.833 1.00 73.50 N ATOM 304 CD2 HIS A 19 4.200 7.784 6.907 1.00 61.42 C ATOM 305 CE1 HIS A 19 3.984 8.276 9.029 1.00 73.04 C ATOM 306 NE2 HIS A 19 3.341 8.229 7.882 1.00 1.22 N ATOM 0 H HIS A 19 5.678 6.699 4.668 1.00 11.14 H new ATOM 0 HA HIS A 19 7.145 8.866 5.864 1.00 52.14 H new ATOM 0 HB2 HIS A 19 6.601 5.998 6.715 1.00 65.20 H new ATOM 0 HB3 HIS A 19 7.474 7.154 7.702 1.00 65.20 H new ATOM 0 HD2 HIS A 19 3.965 7.638 5.863 1.00 61.42 H new ATOM 0 HE1 HIS A 19 3.564 8.587 9.974 1.00 73.04 H new ATOM 0 HE2 HIS A 19 2.363 8.482 7.740 1.00 1.22 H new ATOM 315 N GLY A 20 8.753 6.769 4.156 1.00 71.31 N ATOM 316 CA GLY A 20 10.071 6.418 3.677 1.00 54.25 C ATOM 317 C GLY A 20 10.904 7.649 3.390 1.00 41.12 C ATOM 318 O GLY A 20 10.501 8.505 2.607 1.00 4.35 O ATOM 0 H GLY A 20 7.989 6.510 3.532 1.00 71.31 H new ATOM 0 HA2 GLY A 20 10.576 5.801 4.420 1.00 54.25 H new ATOM 0 HA3 GLY A 20 9.982 5.818 2.771 1.00 54.25 H new ATOM 322 N THR A 21 12.061 7.740 4.021 1.00 71.20 N ATOM 323 CA THR A 21 12.892 8.926 3.921 1.00 53.53 C ATOM 324 C THR A 21 13.659 8.994 2.598 1.00 54.05 C ATOM 325 O THR A 21 14.774 8.481 2.482 1.00 0.35 O ATOM 326 CB THR A 21 13.869 9.005 5.109 1.00 23.35 C ATOM 327 OG1 THR A 21 14.381 7.698 5.409 1.00 73.23 O ATOM 328 CG2 THR A 21 13.179 9.579 6.337 1.00 32.23 C ATOM 0 H THR A 21 12.448 7.003 4.611 1.00 71.20 H new ATOM 0 HA THR A 21 12.222 9.785 3.950 1.00 53.53 H new ATOM 0 HB THR A 21 14.693 9.663 4.833 1.00 23.35 H new ATOM 0 HG1 THR A 21 15.003 7.756 6.164 1.00 73.23 H new ATOM 0 HG21 THR A 21 13.888 9.626 7.164 1.00 32.23 H new ATOM 0 HG22 THR A 21 12.815 10.582 6.114 1.00 32.23 H new ATOM 0 HG23 THR A 21 12.340 8.941 6.614 1.00 32.23 H new ATOM 336 N GLY A 22 13.022 9.597 1.597 1.00 41.31 N ATOM 337 CA GLY A 22 13.671 9.887 0.326 1.00 30.11 C ATOM 338 C GLY A 22 14.016 8.654 -0.487 1.00 34.12 C ATOM 339 O GLY A 22 13.255 8.256 -1.367 1.00 0.30 O ATOM 0 H GLY A 22 12.048 9.896 1.645 1.00 41.31 H new ATOM 0 HA2 GLY A 22 13.018 10.528 -0.266 1.00 30.11 H new ATOM 0 HA3 GLY A 22 14.584 10.451 0.517 1.00 30.11 H new ATOM 343 N ALA A 23 15.160 8.047 -0.194 1.00 12.54 N ATOM 344 CA ALA A 23 15.611 6.862 -0.918 1.00 30.03 C ATOM 345 C ALA A 23 14.559 5.759 -0.847 1.00 10.11 C ATOM 346 O ALA A 23 14.314 5.046 -1.821 1.00 72.30 O ATOM 347 CB ALA A 23 16.937 6.373 -0.355 1.00 44.20 C ATOM 0 H ALA A 23 15.795 8.356 0.542 1.00 12.54 H new ATOM 0 HA ALA A 23 15.756 7.129 -1.965 1.00 30.03 H new ATOM 0 HB1 ALA A 23 17.262 5.489 -0.904 1.00 44.20 H new ATOM 0 HB2 ALA A 23 17.687 7.158 -0.455 1.00 44.20 H new ATOM 0 HB3 ALA A 23 16.814 6.121 0.698 1.00 44.20 H new ATOM 353 N LEU A 24 13.932 5.644 0.316 1.00 11.03 N ATOM 354 CA LEU A 24 12.853 4.688 0.514 1.00 10.01 C ATOM 355 C LEU A 24 11.619 5.094 -0.282 1.00 71.24 C ATOM 356 O LEU A 24 11.028 4.272 -0.985 1.00 64.34 O ATOM 357 CB LEU A 24 12.492 4.576 2.001 1.00 40.45 C ATOM 358 CG LEU A 24 13.299 3.556 2.814 1.00 61.33 C ATOM 359 CD1 LEU A 24 13.051 2.150 2.294 1.00 60.31 C ATOM 360 CD2 LEU A 24 14.785 3.884 2.783 1.00 33.31 C ATOM 0 H LEU A 24 14.154 6.204 1.139 1.00 11.03 H new ATOM 0 HA LEU A 24 13.200 3.717 0.159 1.00 10.01 H new ATOM 0 HB2 LEU A 24 12.617 5.557 2.460 1.00 40.45 H new ATOM 0 HB3 LEU A 24 11.436 4.319 2.080 1.00 40.45 H new ATOM 0 HG LEU A 24 12.966 3.608 3.851 1.00 61.33 H new ATOM 0 HD11 LEU A 24 13.631 1.437 2.881 1.00 60.31 H new ATOM 0 HD12 LEU A 24 11.991 1.912 2.379 1.00 60.31 H new ATOM 0 HD13 LEU A 24 13.354 2.090 1.249 1.00 60.31 H new ATOM 0 HD21 LEU A 24 15.333 3.145 3.367 1.00 33.31 H new ATOM 0 HD22 LEU A 24 15.140 3.868 1.752 1.00 33.31 H new ATOM 0 HD23 LEU A 24 14.948 4.875 3.207 1.00 33.31 H new ATOM 372 N LYS A 25 11.249 6.369 -0.194 1.00 33.41 N ATOM 373 CA LYS A 25 10.016 6.840 -0.811 1.00 51.34 C ATOM 374 C LYS A 25 10.114 6.784 -2.330 1.00 21.14 C ATOM 375 O LYS A 25 9.121 6.525 -3.007 1.00 23.53 O ATOM 376 CB LYS A 25 9.653 8.259 -0.345 1.00 62.45 C ATOM 377 CG LYS A 25 10.509 9.372 -0.926 1.00 43.14 C ATOM 378 CD LYS A 25 9.964 10.738 -0.545 1.00 35.03 C ATOM 379 CE LYS A 25 8.593 10.977 -1.159 1.00 24.12 C ATOM 380 NZ LYS A 25 7.959 12.215 -0.638 1.00 55.45 N ATOM 0 H LYS A 25 11.782 7.088 0.295 1.00 33.41 H new ATOM 0 HA LYS A 25 9.216 6.172 -0.490 1.00 51.34 H new ATOM 0 HB2 LYS A 25 8.611 8.453 -0.601 1.00 62.45 H new ATOM 0 HB3 LYS A 25 9.726 8.297 0.742 1.00 62.45 H new ATOM 0 HG2 LYS A 25 11.533 9.273 -0.566 1.00 43.14 H new ATOM 0 HG3 LYS A 25 10.542 9.280 -2.012 1.00 43.14 H new ATOM 0 HD2 LYS A 25 9.897 10.816 0.540 1.00 35.03 H new ATOM 0 HD3 LYS A 25 10.654 11.513 -0.878 1.00 35.03 H new ATOM 0 HE2 LYS A 25 8.688 11.047 -2.243 1.00 24.12 H new ATOM 0 HE3 LYS A 25 7.948 10.124 -0.950 1.00 24.12 H new ATOM 0 HZ1 LYS A 25 7.027 12.341 -1.082 1.00 55.45 H new ATOM 0 HZ2 LYS A 25 7.844 12.139 0.393 1.00 55.45 H new ATOM 0 HZ3 LYS A 25 8.561 13.033 -0.860 1.00 55.45 H new ATOM 394 N ARG A 26 11.312 7.006 -2.869 1.00 31.01 N ATOM 395 CA ARG A 26 11.492 6.968 -4.310 1.00 54.20 C ATOM 396 C ARG A 26 11.309 5.555 -4.835 1.00 41.10 C ATOM 397 O ARG A 26 10.628 5.360 -5.824 1.00 33.24 O ATOM 398 CB ARG A 26 12.858 7.510 -4.742 1.00 33.41 C ATOM 399 CG ARG A 26 13.039 7.482 -6.253 1.00 33.41 C ATOM 400 CD ARG A 26 14.348 8.104 -6.693 1.00 71.10 C ATOM 401 NE ARG A 26 14.494 8.075 -8.147 1.00 62.53 N ATOM 402 CZ ARG A 26 15.550 8.552 -8.798 1.00 74.34 C ATOM 403 NH1 ARG A 26 16.537 9.133 -8.129 1.00 72.00 N ATOM 404 NH2 ARG A 26 15.619 8.448 -10.119 1.00 13.32 N ATOM 0 H ARG A 26 12.157 7.211 -2.335 1.00 31.01 H new ATOM 0 HA ARG A 26 10.729 7.617 -4.739 1.00 54.20 H new ATOM 0 HB2 ARG A 26 12.970 8.533 -4.384 1.00 33.41 H new ATOM 0 HB3 ARG A 26 13.645 6.920 -4.273 1.00 33.41 H new ATOM 0 HG2 ARG A 26 12.996 6.450 -6.602 1.00 33.41 H new ATOM 0 HG3 ARG A 26 12.212 8.013 -6.724 1.00 33.41 H new ATOM 0 HD2 ARG A 26 14.398 9.135 -6.342 1.00 71.10 H new ATOM 0 HD3 ARG A 26 15.179 7.570 -6.232 1.00 71.10 H new ATOM 0 HE ARG A 26 13.739 7.663 -8.696 1.00 62.53 H new ATOM 0 HH11 ARG A 26 16.486 9.214 -7.114 1.00 72.00 H new ATOM 0 HH12 ARG A 26 17.347 9.499 -8.630 1.00 72.00 H new ATOM 0 HH21 ARG A 26 14.861 8.002 -10.636 1.00 13.32 H new ATOM 0 HH22 ARG A 26 16.430 8.814 -10.618 1.00 13.32 H new ATOM 418 N ARG A 27 11.905 4.569 -4.168 1.00 13.13 N ATOM 419 CA ARG A 27 11.746 3.177 -4.584 1.00 74.20 C ATOM 420 C ARG A 27 10.272 2.795 -4.604 1.00 0.23 C ATOM 421 O ARG A 27 9.794 2.170 -5.555 1.00 55.02 O ATOM 422 CB ARG A 27 12.514 2.231 -3.659 1.00 53.32 C ATOM 423 CG ARG A 27 14.023 2.348 -3.783 1.00 22.22 C ATOM 424 CD ARG A 27 14.737 1.319 -2.918 1.00 53.05 C ATOM 425 NE ARG A 27 16.191 1.453 -2.995 1.00 54.11 N ATOM 426 CZ ARG A 27 17.060 0.551 -2.538 1.00 30.34 C ATOM 427 NH1 ARG A 27 16.640 -0.610 -2.049 1.00 2.20 N ATOM 428 NH2 ARG A 27 18.360 0.807 -2.603 1.00 63.33 N ATOM 0 H ARG A 27 12.495 4.705 -3.347 1.00 13.13 H new ATOM 0 HA ARG A 27 12.156 3.081 -5.589 1.00 74.20 H new ATOM 0 HB2 ARG A 27 12.226 2.433 -2.627 1.00 53.32 H new ATOM 0 HB3 ARG A 27 12.219 1.205 -3.877 1.00 53.32 H new ATOM 0 HG2 ARG A 27 14.315 2.214 -4.825 1.00 22.22 H new ATOM 0 HG3 ARG A 27 14.336 3.350 -3.491 1.00 22.22 H new ATOM 0 HD2 ARG A 27 14.417 1.431 -1.882 1.00 53.05 H new ATOM 0 HD3 ARG A 27 14.448 0.317 -3.234 1.00 53.05 H new ATOM 0 HE ARG A 27 16.567 2.296 -3.429 1.00 54.11 H new ATOM 0 HH11 ARG A 27 15.642 -0.820 -2.020 1.00 2.20 H new ATOM 0 HH12 ARG A 27 17.315 -1.292 -1.703 1.00 2.20 H new ATOM 0 HH21 ARG A 27 18.687 1.688 -3.000 1.00 63.33 H new ATOM 0 HH22 ARG A 27 19.032 0.123 -2.256 1.00 63.33 H new ATOM 442 N ILE A 28 9.562 3.197 -3.558 1.00 44.22 N ATOM 443 CA ILE A 28 8.134 2.948 -3.445 1.00 64.03 C ATOM 444 C ILE A 28 7.360 3.629 -4.583 1.00 72.44 C ATOM 445 O ILE A 28 6.554 2.993 -5.268 1.00 14.31 O ATOM 446 CB ILE A 28 7.612 3.438 -2.075 1.00 21.31 C ATOM 447 CG1 ILE A 28 8.252 2.625 -0.946 1.00 1.51 C ATOM 448 CG2 ILE A 28 6.098 3.346 -2.002 1.00 12.44 C ATOM 449 CD1 ILE A 28 7.881 3.111 0.439 1.00 53.11 C ATOM 0 H ILE A 28 9.960 3.703 -2.767 1.00 44.22 H new ATOM 0 HA ILE A 28 7.972 1.873 -3.523 1.00 64.03 H new ATOM 0 HB ILE A 28 7.890 4.485 -1.959 1.00 21.31 H new ATOM 0 HG12 ILE A 28 7.954 1.582 -1.047 1.00 1.51 H new ATOM 0 HG13 ILE A 28 9.336 2.659 -1.055 1.00 1.51 H new ATOM 0 HG21 ILE A 28 5.759 3.697 -1.027 1.00 12.44 H new ATOM 0 HG22 ILE A 28 5.658 3.965 -2.784 1.00 12.44 H new ATOM 0 HG23 ILE A 28 5.789 2.310 -2.142 1.00 12.44 H new ATOM 0 HD11 ILE A 28 8.371 2.488 1.187 1.00 53.11 H new ATOM 0 HD12 ILE A 28 8.204 4.145 0.560 1.00 53.11 H new ATOM 0 HD13 ILE A 28 6.800 3.051 0.568 1.00 53.11 H new ATOM 461 N MET A 29 7.632 4.910 -4.801 1.00 54.41 N ATOM 462 CA MET A 29 6.903 5.688 -5.800 1.00 54.13 C ATOM 463 C MET A 29 7.337 5.330 -7.220 1.00 73.25 C ATOM 464 O MET A 29 6.546 5.413 -8.159 1.00 41.22 O ATOM 465 CB MET A 29 7.050 7.194 -5.530 1.00 13.43 C ATOM 466 CG MET A 29 8.421 7.781 -5.806 1.00 55.41 C ATOM 467 SD MET A 29 8.639 8.254 -7.534 1.00 51.23 S ATOM 468 CE MET A 29 10.196 9.132 -7.445 1.00 20.20 C ATOM 0 H MET A 29 8.351 5.433 -4.301 1.00 54.41 H new ATOM 0 HA MET A 29 5.847 5.432 -5.716 1.00 54.13 H new ATOM 0 HB2 MET A 29 6.318 7.726 -6.137 1.00 13.43 H new ATOM 0 HB3 MET A 29 6.797 7.384 -4.487 1.00 13.43 H new ATOM 0 HG2 MET A 29 8.572 8.655 -5.172 1.00 55.41 H new ATOM 0 HG3 MET A 29 9.185 7.053 -5.533 1.00 55.41 H new ATOM 0 HE1 MET A 29 10.043 10.173 -7.729 1.00 20.20 H new ATOM 0 HE2 MET A 29 10.582 9.086 -6.427 1.00 20.20 H new ATOM 0 HE3 MET A 29 10.912 8.672 -8.126 1.00 20.20 H new ATOM 478 N ASP A 30 8.590 4.928 -7.367 1.00 40.52 N ATOM 479 CA ASP A 30 9.129 4.488 -8.654 1.00 62.13 C ATOM 480 C ASP A 30 8.366 3.275 -9.175 1.00 54.04 C ATOM 481 O ASP A 30 8.188 3.107 -10.383 1.00 3.01 O ATOM 482 CB ASP A 30 10.619 4.152 -8.518 1.00 72.44 C ATOM 483 CG ASP A 30 11.215 3.560 -9.777 1.00 54.22 C ATOM 484 OD1 ASP A 30 11.398 4.302 -10.762 1.00 24.51 O ATOM 485 OD2 ASP A 30 11.523 2.349 -9.778 1.00 1.21 O ATOM 0 H ASP A 30 9.264 4.896 -6.602 1.00 40.52 H new ATOM 0 HA ASP A 30 9.012 5.302 -9.369 1.00 62.13 H new ATOM 0 HB2 ASP A 30 11.166 5.057 -8.256 1.00 72.44 H new ATOM 0 HB3 ASP A 30 10.753 3.449 -7.696 1.00 72.44 H new ATOM 491 N MET A 31 7.915 2.430 -8.256 1.00 22.33 N ATOM 492 CA MET A 31 7.111 1.269 -8.623 1.00 13.44 C ATOM 493 C MET A 31 5.688 1.680 -9.004 1.00 53.05 C ATOM 494 O MET A 31 5.000 0.963 -9.733 1.00 44.43 O ATOM 495 CB MET A 31 7.084 0.248 -7.484 1.00 74.14 C ATOM 496 CG MET A 31 8.422 -0.440 -7.257 1.00 72.54 C ATOM 497 SD MET A 31 8.391 -1.605 -5.882 1.00 70.51 S ATOM 498 CE MET A 31 8.059 -0.494 -4.516 1.00 20.34 C ATOM 0 H MET A 31 8.091 2.525 -7.256 1.00 22.33 H new ATOM 0 HA MET A 31 7.574 0.806 -9.494 1.00 13.44 H new ATOM 0 HB2 MET A 31 6.781 0.749 -6.564 1.00 74.14 H new ATOM 0 HB3 MET A 31 6.328 -0.507 -7.700 1.00 74.14 H new ATOM 0 HG2 MET A 31 8.712 -0.967 -8.166 1.00 72.54 H new ATOM 0 HG3 MET A 31 9.185 0.315 -7.069 1.00 72.54 H new ATOM 0 HE1 MET A 31 8.706 -0.747 -3.676 1.00 20.34 H new ATOM 0 HE2 MET A 31 8.253 0.533 -4.827 1.00 20.34 H new ATOM 0 HE3 MET A 31 7.016 -0.591 -4.213 1.00 20.34 H new ATOM 508 N GLY A 32 5.254 2.842 -8.525 1.00 60.11 N ATOM 509 CA GLY A 32 3.933 3.334 -8.874 1.00 13.04 C ATOM 510 C GLY A 32 3.191 3.938 -7.695 1.00 51.44 C ATOM 511 O GLY A 32 2.145 4.562 -7.868 1.00 44.01 O ATOM 0 H GLY A 32 5.790 3.449 -7.905 1.00 60.11 H new ATOM 0 HA2 GLY A 32 4.027 4.084 -9.659 1.00 13.04 H new ATOM 0 HA3 GLY A 32 3.344 2.514 -9.285 1.00 13.04 H new ATOM 515 N ILE A 33 3.727 3.756 -6.499 1.00 42.33 N ATOM 516 CA ILE A 33 3.094 4.277 -5.292 1.00 13.04 C ATOM 517 C ILE A 33 3.534 5.722 -5.046 1.00 70.11 C ATOM 518 O ILE A 33 4.389 5.994 -4.208 1.00 22.21 O ATOM 519 CB ILE A 33 3.442 3.399 -4.072 1.00 41.33 C ATOM 520 CG1 ILE A 33 3.115 1.933 -4.370 1.00 42.32 C ATOM 521 CG2 ILE A 33 2.693 3.875 -2.837 1.00 2.22 C ATOM 522 CD1 ILE A 33 3.525 0.978 -3.271 1.00 74.12 C ATOM 0 H ILE A 33 4.599 3.252 -6.335 1.00 42.33 H new ATOM 0 HA ILE A 33 2.013 4.256 -5.434 1.00 13.04 H new ATOM 0 HB ILE A 33 4.510 3.485 -3.873 1.00 41.33 H new ATOM 0 HG12 ILE A 33 2.043 1.837 -4.540 1.00 42.32 H new ATOM 0 HG13 ILE A 33 3.611 1.641 -5.295 1.00 42.32 H new ATOM 0 HG21 ILE A 33 2.952 3.243 -1.988 1.00 2.22 H new ATOM 0 HG22 ILE A 33 2.969 4.907 -2.619 1.00 2.22 H new ATOM 0 HG23 ILE A 33 1.620 3.817 -3.018 1.00 2.22 H new ATOM 0 HD11 ILE A 33 3.260 -0.040 -3.556 1.00 74.12 H new ATOM 0 HD12 ILE A 33 4.602 1.043 -3.116 1.00 74.12 H new ATOM 0 HD13 ILE A 33 3.009 1.242 -2.348 1.00 74.12 H new ATOM 534 N THR A 34 2.950 6.644 -5.798 1.00 41.21 N ATOM 535 CA THR A 34 3.420 8.025 -5.827 1.00 11.23 C ATOM 536 C THR A 34 2.554 8.981 -5.009 1.00 74.24 C ATOM 537 O THR A 34 2.589 10.190 -5.249 1.00 42.12 O ATOM 538 CB THR A 34 3.460 8.532 -7.279 1.00 44.12 C ATOM 539 OG1 THR A 34 2.229 8.195 -7.940 1.00 31.20 O ATOM 540 CG2 THR A 34 4.632 7.932 -8.036 1.00 44.13 C ATOM 0 H THR A 34 2.146 6.461 -6.399 1.00 41.21 H new ATOM 0 HA THR A 34 4.414 8.015 -5.380 1.00 11.23 H new ATOM 0 HB THR A 34 3.585 9.615 -7.263 1.00 44.12 H new ATOM 0 HG1 THR A 34 2.254 8.520 -8.864 1.00 31.20 H new ATOM 0 HG21 THR A 34 4.635 8.308 -9.059 1.00 44.13 H new ATOM 0 HG22 THR A 34 5.564 8.211 -7.544 1.00 44.13 H new ATOM 0 HG23 THR A 34 4.539 6.846 -8.049 1.00 44.13 H new ATOM 548 N ARG A 35 1.815 8.450 -4.031 1.00 51.11 N ATOM 549 CA ARG A 35 0.882 9.255 -3.228 1.00 74.05 C ATOM 550 C ARG A 35 -0.294 9.722 -4.088 1.00 14.20 C ATOM 551 O ARG A 35 -0.112 10.341 -5.135 1.00 54.21 O ATOM 552 CB ARG A 35 1.586 10.459 -2.589 1.00 1.34 C ATOM 553 CG ARG A 35 0.681 11.309 -1.713 1.00 34.25 C ATOM 554 CD ARG A 35 1.321 12.651 -1.400 1.00 3.00 C ATOM 555 NE ARG A 35 1.511 13.448 -2.611 1.00 71.15 N ATOM 556 CZ ARG A 35 2.074 14.653 -2.645 1.00 62.24 C ATOM 557 NH1 ARG A 35 2.531 15.222 -1.537 1.00 54.35 N ATOM 558 NH2 ARG A 35 2.180 15.290 -3.805 1.00 61.41 N ATOM 0 H ARG A 35 1.843 7.463 -3.773 1.00 51.11 H new ATOM 0 HA ARG A 35 0.504 8.624 -2.424 1.00 74.05 H new ATOM 0 HB2 ARG A 35 2.424 10.102 -1.990 1.00 1.34 H new ATOM 0 HB3 ARG A 35 2.003 11.085 -3.378 1.00 1.34 H new ATOM 0 HG2 ARG A 35 -0.273 11.467 -2.216 1.00 34.25 H new ATOM 0 HG3 ARG A 35 0.468 10.780 -0.784 1.00 34.25 H new ATOM 0 HD2 ARG A 35 0.694 13.199 -0.697 1.00 3.00 H new ATOM 0 HD3 ARG A 35 2.283 12.492 -0.913 1.00 3.00 H new ATOM 0 HE ARG A 35 1.189 13.051 -3.494 1.00 71.15 H new ATOM 0 HH11 ARG A 35 2.453 14.735 -0.644 1.00 54.35 H new ATOM 0 HH12 ARG A 35 2.960 16.146 -1.578 1.00 54.35 H new ATOM 0 HH21 ARG A 35 1.831 14.855 -4.659 1.00 61.41 H new ATOM 0 HH22 ARG A 35 2.610 16.214 -3.842 1.00 61.41 H new ATOM 572 N GLY A 36 -1.500 9.421 -3.640 1.00 55.31 N ATOM 573 CA GLY A 36 -2.673 9.674 -4.450 1.00 35.02 C ATOM 574 C GLY A 36 -3.012 8.468 -5.296 1.00 1.20 C ATOM 575 O GLY A 36 -4.092 8.380 -5.881 1.00 11.13 O ATOM 0 H GLY A 36 -1.690 9.005 -2.728 1.00 55.31 H new ATOM 0 HA2 GLY A 36 -3.518 9.922 -3.807 1.00 35.02 H new ATOM 0 HA3 GLY A 36 -2.497 10.537 -5.093 1.00 35.02 H new ATOM 579 N CYS A 37 -2.070 7.538 -5.351 1.00 71.23 N ATOM 580 CA CYS A 37 -2.250 6.291 -6.067 1.00 12.51 C ATOM 581 C CYS A 37 -3.080 5.337 -5.222 1.00 0.24 C ATOM 582 O CYS A 37 -3.009 5.369 -3.988 1.00 40.24 O ATOM 583 CB CYS A 37 -0.885 5.671 -6.383 1.00 74.34 C ATOM 584 SG CYS A 37 -0.936 4.257 -7.508 1.00 13.22 S ATOM 0 H CYS A 37 -1.160 7.630 -4.899 1.00 71.23 H new ATOM 0 HA CYS A 37 -2.772 6.482 -7.005 1.00 12.51 H new ATOM 0 HB2 CYS A 37 -0.244 6.439 -6.816 1.00 74.34 H new ATOM 0 HB3 CYS A 37 -0.419 5.357 -5.449 1.00 74.34 H new ATOM 0 HG CYS A 37 0.265 3.995 -7.930 1.00 13.22 H new ATOM 590 N GLU A 38 -3.870 4.509 -5.878 1.00 24.24 N ATOM 591 CA GLU A 38 -4.713 3.560 -5.179 1.00 41.32 C ATOM 592 C GLU A 38 -4.092 2.169 -5.232 1.00 11.45 C ATOM 593 O GLU A 38 -3.522 1.766 -6.249 1.00 44.34 O ATOM 594 CB GLU A 38 -6.126 3.555 -5.771 1.00 65.45 C ATOM 595 CG GLU A 38 -6.191 3.118 -7.226 1.00 34.12 C ATOM 596 CD GLU A 38 -7.522 3.442 -7.870 1.00 74.03 C ATOM 597 OE1 GLU A 38 -8.562 2.918 -7.415 1.00 13.11 O ATOM 598 OE2 GLU A 38 -7.538 4.238 -8.832 1.00 10.54 O ATOM 0 H GLU A 38 -3.945 4.475 -6.895 1.00 24.24 H new ATOM 0 HA GLU A 38 -4.790 3.862 -4.134 1.00 41.32 H new ATOM 0 HB2 GLU A 38 -6.755 2.893 -5.176 1.00 65.45 H new ATOM 0 HB3 GLU A 38 -6.547 4.557 -5.685 1.00 65.45 H new ATOM 0 HG2 GLU A 38 -5.392 3.606 -7.785 1.00 34.12 H new ATOM 0 HG3 GLU A 38 -6.013 2.044 -7.288 1.00 34.12 H new ATOM 606 N ILE A 39 -4.186 1.449 -4.127 1.00 53.41 N ATOM 607 CA ILE A 39 -3.580 0.138 -4.010 1.00 62.23 C ATOM 608 C ILE A 39 -4.602 -0.884 -3.548 1.00 51.14 C ATOM 609 O ILE A 39 -5.232 -0.724 -2.502 1.00 12.03 O ATOM 610 CB ILE A 39 -2.399 0.142 -3.014 1.00 62.22 C ATOM 611 CG1 ILE A 39 -1.307 1.110 -3.475 1.00 33.45 C ATOM 612 CG2 ILE A 39 -1.836 -1.262 -2.848 1.00 3.24 C ATOM 613 CD1 ILE A 39 -0.089 1.113 -2.579 1.00 61.33 C ATOM 0 H ILE A 39 -4.682 1.757 -3.291 1.00 53.41 H new ATOM 0 HA ILE A 39 -3.207 -0.128 -4.999 1.00 62.23 H new ATOM 0 HB ILE A 39 -2.768 0.481 -2.046 1.00 62.22 H new ATOM 0 HG12 ILE A 39 -1.003 0.847 -4.488 1.00 33.45 H new ATOM 0 HG13 ILE A 39 -1.720 2.118 -3.518 1.00 33.45 H new ATOM 0 HG21 ILE A 39 -1.005 -1.240 -2.143 1.00 3.24 H new ATOM 0 HG22 ILE A 39 -2.615 -1.924 -2.470 1.00 3.24 H new ATOM 0 HG23 ILE A 39 -1.484 -1.629 -3.812 1.00 3.24 H new ATOM 0 HD11 ILE A 39 0.645 1.821 -2.965 1.00 61.33 H new ATOM 0 HD12 ILE A 39 -0.380 1.405 -1.570 1.00 61.33 H new ATOM 0 HD13 ILE A 39 0.348 0.115 -2.556 1.00 61.33 H new ATOM 625 N TYR A 40 -4.776 -1.923 -4.338 1.00 20.44 N ATOM 626 CA TYR A 40 -5.619 -3.038 -3.952 1.00 70.11 C ATOM 627 C TYR A 40 -4.753 -4.117 -3.315 1.00 25.33 C ATOM 628 O TYR A 40 -3.875 -4.680 -3.972 1.00 25.22 O ATOM 629 CB TYR A 40 -6.355 -3.594 -5.174 1.00 21.34 C ATOM 630 CG TYR A 40 -7.327 -4.717 -4.864 1.00 11.43 C ATOM 631 CD1 TYR A 40 -6.898 -6.040 -4.794 1.00 54.15 C ATOM 632 CD2 TYR A 40 -8.675 -4.457 -4.653 1.00 12.12 C ATOM 633 CE1 TYR A 40 -7.782 -7.065 -4.525 1.00 21.13 C ATOM 634 CE2 TYR A 40 -9.566 -5.481 -4.387 1.00 62.33 C ATOM 635 CZ TYR A 40 -9.113 -6.781 -4.322 1.00 72.02 C ATOM 636 OH TYR A 40 -9.997 -7.803 -4.062 1.00 2.31 O ATOM 0 H TYR A 40 -4.343 -2.020 -5.256 1.00 20.44 H new ATOM 0 HA TYR A 40 -6.365 -2.701 -3.232 1.00 70.11 H new ATOM 0 HB2 TYR A 40 -6.899 -2.782 -5.656 1.00 21.34 H new ATOM 0 HB3 TYR A 40 -5.619 -3.955 -5.893 1.00 21.34 H new ATOM 0 HD1 TYR A 40 -5.854 -6.268 -4.953 1.00 54.15 H new ATOM 0 HD2 TYR A 40 -9.033 -3.439 -4.697 1.00 12.12 H new ATOM 0 HE1 TYR A 40 -7.431 -8.085 -4.474 1.00 21.13 H new ATOM 0 HE2 TYR A 40 -10.612 -5.263 -4.231 1.00 62.33 H new ATOM 0 HH TYR A 40 -10.897 -7.434 -3.942 1.00 2.31 H new ATOM 646 N ILE A 41 -4.981 -4.392 -2.041 1.00 22.43 N ATOM 647 CA ILE A 41 -4.193 -5.392 -1.334 1.00 33.14 C ATOM 648 C ILE A 41 -4.622 -6.786 -1.771 1.00 11.43 C ATOM 649 O ILE A 41 -5.765 -7.195 -1.553 1.00 74.20 O ATOM 650 CB ILE A 41 -4.305 -5.274 0.209 1.00 14.51 C ATOM 651 CG1 ILE A 41 -3.969 -3.855 0.691 1.00 52.41 C ATOM 652 CG2 ILE A 41 -3.373 -6.272 0.889 1.00 2.00 C ATOM 653 CD1 ILE A 41 -5.108 -2.865 0.558 1.00 2.33 C ATOM 0 H ILE A 41 -5.701 -3.940 -1.477 1.00 22.43 H new ATOM 0 HA ILE A 41 -3.149 -5.214 -1.593 1.00 33.14 H new ATOM 0 HB ILE A 41 -5.338 -5.496 0.478 1.00 14.51 H new ATOM 0 HG12 ILE A 41 -3.664 -3.902 1.736 1.00 52.41 H new ATOM 0 HG13 ILE A 41 -3.114 -3.485 0.126 1.00 52.41 H new ATOM 0 HG21 ILE A 41 -3.464 -6.176 1.971 1.00 2.00 H new ATOM 0 HG22 ILE A 41 -3.644 -7.285 0.591 1.00 2.00 H new ATOM 0 HG23 ILE A 41 -2.344 -6.069 0.592 1.00 2.00 H new ATOM 0 HD11 ILE A 41 -4.786 -1.889 0.921 1.00 2.33 H new ATOM 0 HD12 ILE A 41 -5.400 -2.785 -0.489 1.00 2.33 H new ATOM 0 HD13 ILE A 41 -5.959 -3.208 1.147 1.00 2.33 H new ATOM 665 N ARG A 42 -3.702 -7.501 -2.400 1.00 41.50 N ATOM 666 CA ARG A 42 -4.000 -8.794 -2.995 1.00 74.10 C ATOM 667 C ARG A 42 -3.941 -9.903 -1.954 1.00 41.45 C ATOM 668 O ARG A 42 -4.888 -10.672 -1.797 1.00 32.43 O ATOM 669 CB ARG A 42 -3.010 -9.100 -4.124 1.00 20.51 C ATOM 670 CG ARG A 42 -2.967 -8.040 -5.214 1.00 41.15 C ATOM 671 CD ARG A 42 -4.290 -7.945 -5.955 1.00 73.01 C ATOM 672 NE ARG A 42 -4.628 -9.198 -6.626 1.00 55.32 N ATOM 673 CZ ARG A 42 -5.755 -9.409 -7.301 1.00 35.12 C ATOM 674 NH1 ARG A 42 -6.648 -8.435 -7.437 1.00 34.34 N ATOM 675 NH2 ARG A 42 -5.978 -10.593 -7.855 1.00 32.42 N ATOM 0 H ARG A 42 -2.733 -7.203 -2.512 1.00 41.50 H new ATOM 0 HA ARG A 42 -5.011 -8.750 -3.400 1.00 74.10 H new ATOM 0 HB2 ARG A 42 -2.012 -9.210 -3.699 1.00 20.51 H new ATOM 0 HB3 ARG A 42 -3.272 -10.058 -4.573 1.00 20.51 H new ATOM 0 HG2 ARG A 42 -2.727 -7.073 -4.772 1.00 41.15 H new ATOM 0 HG3 ARG A 42 -2.170 -8.275 -5.920 1.00 41.15 H new ATOM 0 HD2 ARG A 42 -5.082 -7.684 -5.253 1.00 73.01 H new ATOM 0 HD3 ARG A 42 -4.238 -7.142 -6.690 1.00 73.01 H new ATOM 0 HE ARG A 42 -3.955 -9.962 -6.573 1.00 55.32 H new ATOM 0 HH11 ARG A 42 -6.471 -7.520 -7.023 1.00 34.34 H new ATOM 0 HH12 ARG A 42 -7.510 -8.602 -7.956 1.00 34.34 H new ATOM 0 HH21 ARG A 42 -5.287 -11.338 -7.763 1.00 32.42 H new ATOM 0 HH22 ARG A 42 -6.841 -10.759 -8.373 1.00 32.42 H new ATOM 689 N LYS A 43 -2.826 -9.975 -1.237 1.00 40.24 N ATOM 690 CA LYS A 43 -2.595 -11.064 -0.301 1.00 61.54 C ATOM 691 C LYS A 43 -1.603 -10.632 0.774 1.00 22.44 C ATOM 692 O LYS A 43 -0.569 -10.035 0.474 1.00 30.54 O ATOM 693 CB LYS A 43 -2.061 -12.286 -1.070 1.00 44.52 C ATOM 694 CG LYS A 43 -2.259 -13.631 -0.375 1.00 54.02 C ATOM 695 CD LYS A 43 -1.358 -13.801 0.837 1.00 60.25 C ATOM 696 CE LYS A 43 -1.417 -15.218 1.382 1.00 72.51 C ATOM 697 NZ LYS A 43 -0.835 -16.197 0.429 1.00 4.03 N ATOM 0 H LYS A 43 -2.070 -9.292 -1.287 1.00 40.24 H new ATOM 0 HA LYS A 43 -3.532 -11.330 0.189 1.00 61.54 H new ATOM 0 HB2 LYS A 43 -2.549 -12.323 -2.044 1.00 44.52 H new ATOM 0 HB3 LYS A 43 -0.996 -12.143 -1.252 1.00 44.52 H new ATOM 0 HG2 LYS A 43 -3.300 -13.726 -0.066 1.00 54.02 H new ATOM 0 HG3 LYS A 43 -2.063 -14.435 -1.085 1.00 54.02 H new ATOM 0 HD2 LYS A 43 -0.331 -13.557 0.565 1.00 60.25 H new ATOM 0 HD3 LYS A 43 -1.657 -13.098 1.615 1.00 60.25 H new ATOM 0 HE2 LYS A 43 -0.878 -15.267 2.328 1.00 72.51 H new ATOM 0 HE3 LYS A 43 -2.453 -15.485 1.591 1.00 72.51 H new ATOM 0 HZ1 LYS A 43 -0.627 -17.085 0.928 1.00 4.03 H new ATOM 0 HZ2 LYS A 43 -1.514 -16.381 -0.337 1.00 4.03 H new ATOM 0 HZ3 LYS A 43 0.043 -15.811 0.028 1.00 4.03 H new ATOM 711 N VAL A 44 -1.934 -10.913 2.024 1.00 73.15 N ATOM 712 CA VAL A 44 -1.028 -10.639 3.128 1.00 50.42 C ATOM 713 C VAL A 44 -0.368 -11.938 3.581 1.00 34.03 C ATOM 714 O VAL A 44 -1.035 -12.824 4.122 1.00 4.01 O ATOM 715 CB VAL A 44 -1.759 -9.988 4.324 1.00 41.31 C ATOM 716 CG1 VAL A 44 -0.772 -9.623 5.424 1.00 52.43 C ATOM 717 CG2 VAL A 44 -2.544 -8.763 3.877 1.00 72.44 C ATOM 0 H VAL A 44 -2.823 -11.330 2.300 1.00 73.15 H new ATOM 0 HA VAL A 44 -0.274 -9.936 2.774 1.00 50.42 H new ATOM 0 HB VAL A 44 -2.465 -10.715 4.726 1.00 41.31 H new ATOM 0 HG11 VAL A 44 -1.307 -9.166 6.256 1.00 52.43 H new ATOM 0 HG12 VAL A 44 -0.263 -10.523 5.770 1.00 52.43 H new ATOM 0 HG13 VAL A 44 -0.037 -8.918 5.035 1.00 52.43 H new ATOM 0 HG21 VAL A 44 -3.050 -8.322 4.736 1.00 72.44 H new ATOM 0 HG22 VAL A 44 -1.862 -8.032 3.443 1.00 72.44 H new ATOM 0 HG23 VAL A 44 -3.283 -9.057 3.132 1.00 72.44 H new ATOM 727 N ALA A 45 0.931 -12.056 3.330 1.00 32.13 N ATOM 728 CA ALA A 45 1.677 -13.265 3.666 1.00 14.44 C ATOM 729 C ALA A 45 1.565 -13.591 5.155 1.00 23.52 C ATOM 730 O ALA A 45 1.490 -12.688 5.986 1.00 61.41 O ATOM 731 CB ALA A 45 3.134 -13.109 3.264 1.00 2.43 C ATOM 0 H ALA A 45 1.493 -11.325 2.893 1.00 32.13 H new ATOM 0 HA ALA A 45 1.243 -14.096 3.110 1.00 14.44 H new ATOM 0 HB1 ALA A 45 3.681 -14.017 3.519 1.00 2.43 H new ATOM 0 HB2 ALA A 45 3.199 -12.936 2.190 1.00 2.43 H new ATOM 0 HB3 ALA A 45 3.569 -12.262 3.794 1.00 2.43 H new ATOM 737 N PRO A 46 1.546 -14.892 5.502 1.00 62.34 N ATOM 738 CA PRO A 46 1.391 -15.354 6.892 1.00 61.02 C ATOM 739 C PRO A 46 2.415 -14.742 7.845 1.00 75.44 C ATOM 740 O PRO A 46 2.099 -14.424 8.989 1.00 41.53 O ATOM 741 CB PRO A 46 1.606 -16.865 6.794 1.00 22.53 C ATOM 742 CG PRO A 46 1.258 -17.211 5.391 1.00 45.44 C ATOM 743 CD PRO A 46 1.660 -16.024 4.562 1.00 43.30 C ATOM 0 HA PRO A 46 0.422 -15.065 7.298 1.00 61.02 H new ATOM 0 HB2 PRO A 46 2.638 -17.133 7.023 1.00 22.53 H new ATOM 0 HB3 PRO A 46 0.973 -17.401 7.502 1.00 22.53 H new ATOM 0 HG2 PRO A 46 1.785 -18.109 5.068 1.00 45.44 H new ATOM 0 HG3 PRO A 46 0.192 -17.414 5.292 1.00 45.44 H new ATOM 0 HD2 PRO A 46 2.675 -16.127 4.179 1.00 43.30 H new ATOM 0 HD3 PRO A 46 1.006 -15.897 3.699 1.00 43.30 H new ATOM 751 N LEU A 47 3.641 -14.587 7.370 1.00 21.52 N ATOM 752 CA LEU A 47 4.708 -14.021 8.184 1.00 23.24 C ATOM 753 C LEU A 47 4.516 -12.513 8.323 1.00 71.01 C ATOM 754 O LEU A 47 4.914 -11.909 9.320 1.00 12.01 O ATOM 755 CB LEU A 47 6.064 -14.349 7.537 1.00 31.12 C ATOM 756 CG LEU A 47 7.331 -13.984 8.330 1.00 53.01 C ATOM 757 CD1 LEU A 47 7.710 -12.523 8.140 1.00 31.03 C ATOM 758 CD2 LEU A 47 7.156 -14.303 9.808 1.00 12.34 C ATOM 0 H LEU A 47 3.923 -14.845 6.424 1.00 21.52 H new ATOM 0 HA LEU A 47 4.682 -14.455 9.183 1.00 23.24 H new ATOM 0 HB2 LEU A 47 6.090 -15.419 7.333 1.00 31.12 H new ATOM 0 HB3 LEU A 47 6.110 -13.840 6.574 1.00 31.12 H new ATOM 0 HG LEU A 47 8.147 -14.592 7.939 1.00 53.01 H new ATOM 0 HD11 LEU A 47 8.609 -12.303 8.715 1.00 31.03 H new ATOM 0 HD12 LEU A 47 7.898 -12.330 7.084 1.00 31.03 H new ATOM 0 HD13 LEU A 47 6.894 -11.888 8.485 1.00 31.03 H new ATOM 0 HD21 LEU A 47 8.065 -14.036 10.348 1.00 12.34 H new ATOM 0 HD22 LEU A 47 6.317 -13.733 10.206 1.00 12.34 H new ATOM 0 HD23 LEU A 47 6.961 -15.369 9.930 1.00 12.34 H new ATOM 770 N GLY A 48 3.872 -11.919 7.334 1.00 23.14 N ATOM 771 CA GLY A 48 3.739 -10.480 7.297 1.00 0.45 C ATOM 772 C GLY A 48 4.646 -9.867 6.257 1.00 75.41 C ATOM 773 O GLY A 48 4.575 -8.675 5.980 1.00 12.21 O ATOM 0 H GLY A 48 3.437 -12.410 6.553 1.00 23.14 H new ATOM 0 HA2 GLY A 48 2.704 -10.215 7.081 1.00 0.45 H new ATOM 0 HA3 GLY A 48 3.976 -10.066 8.277 1.00 0.45 H new ATOM 777 N ASP A 49 5.497 -10.699 5.678 1.00 72.01 N ATOM 778 CA ASP A 49 6.449 -10.254 4.670 1.00 34.32 C ATOM 779 C ASP A 49 6.554 -11.293 3.558 1.00 64.24 C ATOM 780 O ASP A 49 6.784 -12.474 3.829 1.00 34.11 O ATOM 781 CB ASP A 49 7.827 -10.032 5.306 1.00 64.21 C ATOM 782 CG ASP A 49 8.836 -9.435 4.342 1.00 4.43 C ATOM 783 OD1 ASP A 49 9.043 -8.204 4.387 1.00 72.31 O ATOM 784 OD2 ASP A 49 9.438 -10.192 3.550 1.00 51.32 O ATOM 0 H ASP A 49 5.548 -11.695 5.891 1.00 72.01 H new ATOM 0 HA ASP A 49 6.098 -9.312 4.247 1.00 34.32 H new ATOM 0 HB2 ASP A 49 7.721 -9.372 6.167 1.00 64.21 H new ATOM 0 HB3 ASP A 49 8.207 -10.984 5.678 1.00 64.21 H new ATOM 790 N PRO A 50 6.355 -10.881 2.298 1.00 24.23 N ATOM 791 CA PRO A 50 5.955 -9.529 1.945 1.00 15.24 C ATOM 792 C PRO A 50 4.440 -9.401 1.754 1.00 32.42 C ATOM 793 O PRO A 50 3.703 -10.382 1.854 1.00 2.44 O ATOM 794 CB PRO A 50 6.692 -9.327 0.621 1.00 24.54 C ATOM 795 CG PRO A 50 6.752 -10.688 -0.007 1.00 12.21 C ATOM 796 CD PRO A 50 6.544 -11.703 1.095 1.00 54.35 C ATOM 0 HA PRO A 50 6.193 -8.794 2.714 1.00 15.24 H new ATOM 0 HB2 PRO A 50 6.164 -8.621 -0.020 1.00 24.54 H new ATOM 0 HB3 PRO A 50 7.692 -8.924 0.784 1.00 24.54 H new ATOM 0 HG2 PRO A 50 5.984 -10.791 -0.774 1.00 12.21 H new ATOM 0 HG3 PRO A 50 7.714 -10.843 -0.496 1.00 12.21 H new ATOM 0 HD2 PRO A 50 5.676 -12.333 0.900 1.00 54.35 H new ATOM 0 HD3 PRO A 50 7.403 -12.367 1.195 1.00 54.35 H new ATOM 804 N ILE A 51 3.984 -8.189 1.481 1.00 21.21 N ATOM 805 CA ILE A 51 2.577 -7.940 1.210 1.00 44.52 C ATOM 806 C ILE A 51 2.357 -7.846 -0.297 1.00 74.12 C ATOM 807 O ILE A 51 3.050 -7.097 -0.988 1.00 0.13 O ATOM 808 CB ILE A 51 2.068 -6.640 1.889 1.00 50.24 C ATOM 809 CG1 ILE A 51 2.203 -6.711 3.417 1.00 55.21 C ATOM 810 CG2 ILE A 51 0.617 -6.376 1.513 1.00 70.53 C ATOM 811 CD1 ILE A 51 3.601 -6.435 3.931 1.00 51.22 C ATOM 0 H ILE A 51 4.573 -7.357 1.441 1.00 21.21 H new ATOM 0 HA ILE A 51 2.010 -8.773 1.626 1.00 44.52 H new ATOM 0 HB ILE A 51 2.689 -5.819 1.530 1.00 50.24 H new ATOM 0 HG12 ILE A 51 1.515 -5.994 3.865 1.00 55.21 H new ATOM 0 HG13 ILE A 51 1.894 -7.701 3.752 1.00 55.21 H new ATOM 0 HG21 ILE A 51 0.276 -5.461 1.998 1.00 70.53 H new ATOM 0 HG22 ILE A 51 0.536 -6.266 0.432 1.00 70.53 H new ATOM 0 HG23 ILE A 51 -0.001 -7.212 1.840 1.00 70.53 H new ATOM 0 HD11 ILE A 51 3.609 -6.505 5.019 1.00 51.22 H new ATOM 0 HD12 ILE A 51 4.293 -7.167 3.515 1.00 51.22 H new ATOM 0 HD13 ILE A 51 3.908 -5.434 3.630 1.00 51.22 H new ATOM 823 N GLN A 52 1.414 -8.629 -0.806 1.00 30.42 N ATOM 824 CA GLN A 52 1.097 -8.624 -2.226 1.00 63.05 C ATOM 825 C GLN A 52 0.063 -7.548 -2.514 1.00 11.23 C ATOM 826 O GLN A 52 -1.036 -7.571 -1.957 1.00 65.04 O ATOM 827 CB GLN A 52 0.564 -9.989 -2.685 1.00 53.43 C ATOM 828 CG GLN A 52 1.597 -11.113 -2.711 1.00 60.14 C ATOM 829 CD GLN A 52 2.088 -11.524 -1.335 1.00 21.22 C ATOM 830 OE1 GLN A 52 1.486 -12.371 -0.676 1.00 50.54 O ATOM 831 NE2 GLN A 52 3.201 -10.955 -0.905 1.00 32.22 N ATOM 0 H GLN A 52 0.854 -9.278 -0.253 1.00 30.42 H new ATOM 0 HA GLN A 52 2.013 -8.415 -2.778 1.00 63.05 H new ATOM 0 HB2 GLN A 52 -0.253 -10.283 -2.026 1.00 53.43 H new ATOM 0 HB3 GLN A 52 0.144 -9.880 -3.685 1.00 53.43 H new ATOM 0 HG2 GLN A 52 1.163 -11.982 -3.206 1.00 60.14 H new ATOM 0 HG3 GLN A 52 2.450 -10.797 -3.312 1.00 60.14 H new ATOM 0 HE21 GLN A 52 3.672 -10.256 -1.480 1.00 32.22 H new ATOM 0 HE22 GLN A 52 3.589 -11.215 0.002 1.00 32.22 H new ATOM 840 N ILE A 53 0.411 -6.610 -3.377 1.00 4.33 N ATOM 841 CA ILE A 53 -0.470 -5.495 -3.696 1.00 1.22 C ATOM 842 C ILE A 53 -0.567 -5.296 -5.201 1.00 11.15 C ATOM 843 O ILE A 53 0.340 -5.665 -5.940 1.00 71.42 O ATOM 844 CB ILE A 53 0.021 -4.181 -3.049 1.00 73.21 C ATOM 845 CG1 ILE A 53 1.456 -3.875 -3.493 1.00 1.42 C ATOM 846 CG2 ILE A 53 -0.072 -4.265 -1.529 1.00 42.34 C ATOM 847 CD1 ILE A 53 1.963 -2.529 -3.030 1.00 62.35 C ATOM 0 H ILE A 53 1.302 -6.597 -3.873 1.00 4.33 H new ATOM 0 HA ILE A 53 -1.453 -5.742 -3.294 1.00 1.22 H new ATOM 0 HB ILE A 53 -0.622 -3.366 -3.382 1.00 73.21 H new ATOM 0 HG12 ILE A 53 2.118 -4.653 -3.112 1.00 1.42 H new ATOM 0 HG13 ILE A 53 1.507 -3.917 -4.581 1.00 1.42 H new ATOM 0 HG21 ILE A 53 0.278 -3.330 -1.091 1.00 42.34 H new ATOM 0 HG22 ILE A 53 -1.108 -4.437 -1.237 1.00 42.34 H new ATOM 0 HG23 ILE A 53 0.547 -5.088 -1.171 1.00 42.34 H new ATOM 0 HD11 ILE A 53 2.984 -2.384 -3.382 1.00 62.35 H new ATOM 0 HD12 ILE A 53 1.325 -1.742 -3.432 1.00 62.35 H new ATOM 0 HD13 ILE A 53 1.946 -2.489 -1.941 1.00 62.35 H new ATOM 859 N ASN A 54 -1.672 -4.730 -5.650 1.00 11.43 N ATOM 860 CA ASN A 54 -1.851 -4.427 -7.062 1.00 71.12 C ATOM 861 C ASN A 54 -1.739 -2.928 -7.281 1.00 54.30 C ATOM 862 O ASN A 54 -2.597 -2.162 -6.836 1.00 55.24 O ATOM 863 CB ASN A 54 -3.213 -4.933 -7.553 1.00 72.10 C ATOM 864 CG ASN A 54 -3.418 -4.778 -9.055 1.00 74.43 C ATOM 865 OD1 ASN A 54 -2.918 -3.845 -9.689 1.00 71.12 O ATOM 866 ND2 ASN A 54 -4.163 -5.702 -9.638 1.00 35.42 N ATOM 0 H ASN A 54 -2.461 -4.470 -5.058 1.00 11.43 H new ATOM 0 HA ASN A 54 -1.072 -4.933 -7.632 1.00 71.12 H new ATOM 0 HB2 ASN A 54 -3.317 -5.985 -7.288 1.00 72.10 H new ATOM 0 HB3 ASN A 54 -4.002 -4.393 -7.030 1.00 72.10 H new ATOM 0 HD21 ASN A 54 -4.339 -5.657 -10.642 1.00 35.42 H new ATOM 0 HD22 ASN A 54 -4.561 -6.460 -9.084 1.00 35.42 H new ATOM 873 N VAL A 55 -0.670 -2.519 -7.947 1.00 22.24 N ATOM 874 CA VAL A 55 -0.448 -1.117 -8.265 1.00 52.03 C ATOM 875 C VAL A 55 -0.188 -0.962 -9.757 1.00 50.14 C ATOM 876 O VAL A 55 0.693 -1.624 -10.307 1.00 10.11 O ATOM 877 CB VAL A 55 0.745 -0.526 -7.474 1.00 44.11 C ATOM 878 CG1 VAL A 55 1.008 0.917 -7.879 1.00 54.55 C ATOM 879 CG2 VAL A 55 0.495 -0.611 -5.978 1.00 63.44 C ATOM 0 H VAL A 55 0.063 -3.145 -8.280 1.00 22.24 H new ATOM 0 HA VAL A 55 -1.346 -0.570 -7.979 1.00 52.03 H new ATOM 0 HB VAL A 55 1.628 -1.118 -7.715 1.00 44.11 H new ATOM 0 HG11 VAL A 55 1.851 1.307 -7.308 1.00 54.55 H new ATOM 0 HG12 VAL A 55 1.240 0.960 -8.943 1.00 54.55 H new ATOM 0 HG13 VAL A 55 0.122 1.519 -7.676 1.00 54.55 H new ATOM 0 HG21 VAL A 55 1.346 -0.190 -5.442 1.00 63.44 H new ATOM 0 HG22 VAL A 55 -0.405 -0.050 -5.727 1.00 63.44 H new ATOM 0 HG23 VAL A 55 0.365 -1.654 -5.690 1.00 63.44 H new ATOM 889 N ARG A 56 -0.982 -0.109 -10.408 1.00 12.21 N ATOM 890 CA ARG A 56 -0.812 0.196 -11.831 1.00 70.32 C ATOM 891 C ARG A 56 -1.095 -1.032 -12.700 1.00 11.13 C ATOM 892 O ARG A 56 -0.693 -1.089 -13.864 1.00 74.35 O ATOM 893 CB ARG A 56 0.607 0.720 -12.099 1.00 24.03 C ATOM 894 CG ARG A 56 0.947 1.988 -11.327 1.00 55.51 C ATOM 895 CD ARG A 56 0.196 3.193 -11.861 1.00 54.10 C ATOM 896 NE ARG A 56 0.642 3.558 -13.200 1.00 33.10 N ATOM 897 CZ ARG A 56 0.216 4.628 -13.863 1.00 21.40 C ATOM 898 NH1 ARG A 56 -0.693 5.432 -13.322 1.00 52.55 N ATOM 899 NH2 ARG A 56 0.694 4.887 -15.074 1.00 32.11 N ATOM 0 H ARG A 56 -1.756 0.387 -9.967 1.00 12.21 H new ATOM 0 HA ARG A 56 -1.532 0.970 -12.096 1.00 70.32 H new ATOM 0 HB2 ARG A 56 1.327 -0.057 -11.840 1.00 24.03 H new ATOM 0 HB3 ARG A 56 0.718 0.914 -13.166 1.00 24.03 H new ATOM 0 HG2 ARG A 56 0.706 1.847 -10.273 1.00 55.51 H new ATOM 0 HG3 ARG A 56 2.020 2.173 -11.387 1.00 55.51 H new ATOM 0 HD2 ARG A 56 -0.872 2.977 -11.880 1.00 54.10 H new ATOM 0 HD3 ARG A 56 0.338 4.038 -11.187 1.00 54.10 H new ATOM 0 HE ARG A 56 1.325 2.954 -13.657 1.00 33.10 H new ATOM 0 HH11 ARG A 56 -1.066 5.229 -12.395 1.00 52.55 H new ATOM 0 HH12 ARG A 56 -1.018 6.252 -13.834 1.00 52.55 H new ATOM 0 HH21 ARG A 56 1.386 4.266 -15.493 1.00 32.11 H new ATOM 0 HH22 ARG A 56 0.369 5.707 -15.586 1.00 32.11 H new ATOM 913 N GLY A 57 -1.792 -2.010 -12.129 1.00 21.02 N ATOM 914 CA GLY A 57 -2.111 -3.223 -12.857 1.00 13.02 C ATOM 915 C GLY A 57 -1.077 -4.305 -12.633 1.00 54.22 C ATOM 916 O GLY A 57 -1.241 -5.443 -13.078 1.00 31.24 O ATOM 0 H GLY A 57 -2.142 -1.983 -11.171 1.00 21.02 H new ATOM 0 HA2 GLY A 57 -3.090 -3.587 -12.545 1.00 13.02 H new ATOM 0 HA3 GLY A 57 -2.178 -3.000 -13.922 1.00 13.02 H new ATOM 920 N TYR A 58 -0.010 -3.950 -11.934 1.00 5.42 N ATOM 921 CA TYR A 58 1.065 -4.882 -11.663 1.00 3.21 C ATOM 922 C TYR A 58 0.906 -5.493 -10.281 1.00 12.32 C ATOM 923 O TYR A 58 0.685 -4.781 -9.301 1.00 73.33 O ATOM 924 CB TYR A 58 2.422 -4.180 -11.756 1.00 60.22 C ATOM 925 CG TYR A 58 2.755 -3.668 -13.138 1.00 71.45 C ATOM 926 CD1 TYR A 58 3.153 -4.540 -14.139 1.00 1.11 C ATOM 927 CD2 TYR A 58 2.688 -2.310 -13.436 1.00 43.02 C ATOM 928 CE1 TYR A 58 3.465 -4.081 -15.402 1.00 11.44 C ATOM 929 CE2 TYR A 58 2.998 -1.842 -14.698 1.00 53.03 C ATOM 930 CZ TYR A 58 3.390 -2.733 -15.675 1.00 63.45 C ATOM 931 OH TYR A 58 3.702 -2.277 -16.937 1.00 44.44 O ATOM 0 H TYR A 58 0.132 -3.018 -11.544 1.00 5.42 H new ATOM 0 HA TYR A 58 1.020 -5.673 -12.411 1.00 3.21 H new ATOM 0 HB2 TYR A 58 2.436 -3.344 -11.057 1.00 60.22 H new ATOM 0 HB3 TYR A 58 3.201 -4.874 -11.439 1.00 60.22 H new ATOM 0 HD1 TYR A 58 3.220 -5.597 -13.927 1.00 1.11 H new ATOM 0 HD2 TYR A 58 2.389 -1.611 -12.669 1.00 43.02 H new ATOM 0 HE1 TYR A 58 3.766 -4.775 -16.173 1.00 11.44 H new ATOM 0 HE2 TYR A 58 2.934 -0.787 -14.918 1.00 53.03 H new ATOM 0 HH TYR A 58 3.599 -1.303 -16.968 1.00 44.44 H new ATOM 941 N GLU A 59 1.001 -6.811 -10.215 1.00 32.24 N ATOM 942 CA GLU A 59 1.041 -7.507 -8.941 1.00 2.11 C ATOM 943 C GLU A 59 2.420 -7.319 -8.324 1.00 35.14 C ATOM 944 O GLU A 59 3.412 -7.841 -8.838 1.00 61.34 O ATOM 945 CB GLU A 59 0.766 -8.995 -9.133 1.00 64.44 C ATOM 946 CG GLU A 59 -0.572 -9.305 -9.786 1.00 44.52 C ATOM 947 CD GLU A 59 -1.744 -9.098 -8.851 1.00 44.43 C ATOM 948 OE1 GLU A 59 -1.853 -9.851 -7.860 1.00 53.11 O ATOM 949 OE2 GLU A 59 -2.571 -8.200 -9.118 1.00 63.41 O ATOM 0 H GLU A 59 1.052 -7.421 -11.031 1.00 32.24 H new ATOM 0 HA GLU A 59 0.274 -7.097 -8.284 1.00 2.11 H new ATOM 0 HB2 GLU A 59 1.562 -9.424 -9.741 1.00 64.44 H new ATOM 0 HB3 GLU A 59 0.806 -9.488 -8.162 1.00 64.44 H new ATOM 0 HG2 GLU A 59 -0.698 -8.672 -10.664 1.00 44.52 H new ATOM 0 HG3 GLU A 59 -0.570 -10.338 -10.135 1.00 44.52 H new ATOM 957 N LEU A 60 2.480 -6.563 -7.249 1.00 52.03 N ATOM 958 CA LEU A 60 3.745 -6.220 -6.617 1.00 2.45 C ATOM 959 C LEU A 60 3.837 -6.826 -5.223 1.00 10.34 C ATOM 960 O LEU A 60 2.827 -7.203 -4.626 1.00 51.24 O ATOM 961 CB LEU A 60 3.905 -4.698 -6.522 1.00 73.42 C ATOM 962 CG LEU A 60 3.832 -3.946 -7.852 1.00 72.50 C ATOM 963 CD1 LEU A 60 3.979 -2.450 -7.627 1.00 73.14 C ATOM 964 CD2 LEU A 60 4.904 -4.445 -8.808 1.00 54.40 C ATOM 0 H LEU A 60 1.661 -6.168 -6.787 1.00 52.03 H new ATOM 0 HA LEU A 60 4.546 -6.628 -7.234 1.00 2.45 H new ATOM 0 HB2 LEU A 60 3.130 -4.309 -5.861 1.00 73.42 H new ATOM 0 HB3 LEU A 60 4.864 -4.479 -6.053 1.00 73.42 H new ATOM 0 HG LEU A 60 2.856 -4.135 -8.299 1.00 72.50 H new ATOM 0 HD11 LEU A 60 3.925 -1.931 -8.584 1.00 73.14 H new ATOM 0 HD12 LEU A 60 3.177 -2.099 -6.978 1.00 73.14 H new ATOM 0 HD13 LEU A 60 4.941 -2.245 -7.158 1.00 73.14 H new ATOM 0 HD21 LEU A 60 4.836 -3.898 -9.748 1.00 54.40 H new ATOM 0 HD22 LEU A 60 5.888 -4.286 -8.366 1.00 54.40 H new ATOM 0 HD23 LEU A 60 4.758 -5.509 -8.995 1.00 54.40 H new ATOM 976 N SER A 61 5.051 -6.915 -4.715 1.00 70.52 N ATOM 977 CA SER A 61 5.285 -7.420 -3.378 1.00 70.52 C ATOM 978 C SER A 61 6.132 -6.432 -2.579 1.00 4.24 C ATOM 979 O SER A 61 7.290 -6.178 -2.910 1.00 23.43 O ATOM 980 CB SER A 61 5.962 -8.790 -3.451 1.00 34.01 C ATOM 981 OG SER A 61 7.032 -8.784 -4.382 1.00 13.20 O ATOM 0 H SER A 61 5.897 -6.641 -5.214 1.00 70.52 H new ATOM 0 HA SER A 61 4.330 -7.535 -2.866 1.00 70.52 H new ATOM 0 HB2 SER A 61 6.336 -9.067 -2.465 1.00 34.01 H new ATOM 0 HB3 SER A 61 5.231 -9.545 -3.738 1.00 34.01 H new ATOM 0 HG SER A 61 7.561 -7.967 -4.267 1.00 13.20 H new ATOM 987 N LEU A 62 5.543 -5.859 -1.543 1.00 42.20 N ATOM 988 CA LEU A 62 6.243 -4.898 -0.704 1.00 21.20 C ATOM 989 C LEU A 62 6.601 -5.526 0.630 1.00 42.31 C ATOM 990 O LEU A 62 5.796 -6.241 1.222 1.00 10.13 O ATOM 991 CB LEU A 62 5.390 -3.644 -0.483 1.00 52.35 C ATOM 992 CG LEU A 62 5.684 -2.469 -1.426 1.00 2.34 C ATOM 993 CD1 LEU A 62 7.091 -1.940 -1.199 1.00 62.22 C ATOM 994 CD2 LEU A 62 5.502 -2.876 -2.879 1.00 63.40 C ATOM 0 H LEU A 62 4.580 -6.042 -1.261 1.00 42.20 H new ATOM 0 HA LEU A 62 7.160 -4.605 -1.215 1.00 21.20 H new ATOM 0 HB2 LEU A 62 4.340 -3.917 -0.588 1.00 52.35 H new ATOM 0 HB3 LEU A 62 5.531 -3.307 0.544 1.00 52.35 H new ATOM 0 HG LEU A 62 4.972 -1.675 -1.203 1.00 2.34 H new ATOM 0 HD11 LEU A 62 7.280 -1.108 -1.877 1.00 62.22 H new ATOM 0 HD12 LEU A 62 7.190 -1.599 -0.169 1.00 62.22 H new ATOM 0 HD13 LEU A 62 7.813 -2.734 -1.389 1.00 62.22 H new ATOM 0 HD21 LEU A 62 5.717 -2.025 -3.525 1.00 63.40 H new ATOM 0 HD22 LEU A 62 6.184 -3.693 -3.116 1.00 63.40 H new ATOM 0 HD23 LEU A 62 4.475 -3.203 -3.039 1.00 63.40 H new ATOM 1006 N ARG A 63 7.814 -5.270 1.092 1.00 74.12 N ATOM 1007 CA ARG A 63 8.288 -5.842 2.342 1.00 73.13 C ATOM 1008 C ARG A 63 7.542 -5.252 3.529 1.00 54.34 C ATOM 1009 O ARG A 63 7.016 -4.139 3.455 1.00 12.02 O ATOM 1010 CB ARG A 63 9.792 -5.629 2.498 1.00 41.54 C ATOM 1011 CG ARG A 63 10.626 -6.787 1.971 1.00 60.43 C ATOM 1012 CD ARG A 63 10.459 -6.984 0.474 1.00 3.34 C ATOM 1013 NE ARG A 63 11.002 -8.268 0.038 1.00 4.23 N ATOM 1014 CZ ARG A 63 11.971 -8.409 -0.862 1.00 23.23 C ATOM 1015 NH1 ARG A 63 12.544 -7.341 -1.403 1.00 44.24 N ATOM 1016 NH2 ARG A 63 12.382 -9.625 -1.205 1.00 12.43 N ATOM 0 H ARG A 63 8.489 -4.669 0.620 1.00 74.12 H new ATOM 0 HA ARG A 63 8.092 -6.914 2.315 1.00 73.13 H new ATOM 0 HB2 ARG A 63 10.078 -4.717 1.974 1.00 41.54 H new ATOM 0 HB3 ARG A 63 10.022 -5.476 3.552 1.00 41.54 H new ATOM 0 HG2 ARG A 63 11.677 -6.607 2.196 1.00 60.43 H new ATOM 0 HG3 ARG A 63 10.341 -7.702 2.490 1.00 60.43 H new ATOM 0 HD2 ARG A 63 9.402 -6.928 0.215 1.00 3.34 H new ATOM 0 HD3 ARG A 63 10.961 -6.176 -0.058 1.00 3.34 H new ATOM 0 HE ARG A 63 10.611 -9.114 0.452 1.00 4.23 H new ATOM 0 HH11 ARG A 63 12.242 -6.406 -1.129 1.00 44.24 H new ATOM 0 HH12 ARG A 63 13.287 -7.455 -2.093 1.00 44.24 H new ATOM 0 HH21 ARG A 63 11.955 -10.447 -0.778 1.00 12.43 H new ATOM 0 HH22 ARG A 63 13.125 -9.737 -1.895 1.00 12.43 H new ATOM 1030 N LYS A 64 7.516 -6.008 4.619 1.00 13.20 N ATOM 1031 CA LYS A 64 6.783 -5.629 5.821 1.00 14.01 C ATOM 1032 C LYS A 64 7.244 -4.270 6.335 1.00 31.32 C ATOM 1033 O LYS A 64 6.426 -3.401 6.636 1.00 54.03 O ATOM 1034 CB LYS A 64 6.983 -6.689 6.905 1.00 32.02 C ATOM 1035 CG LYS A 64 6.124 -6.482 8.140 1.00 50.31 C ATOM 1036 CD LYS A 64 6.482 -7.477 9.230 1.00 71.32 C ATOM 1037 CE LYS A 64 5.594 -7.317 10.453 1.00 75.44 C ATOM 1038 NZ LYS A 64 6.097 -8.106 11.610 1.00 64.53 N ATOM 0 H LYS A 64 8.002 -6.901 4.695 1.00 13.20 H new ATOM 0 HA LYS A 64 5.724 -5.559 5.570 1.00 14.01 H new ATOM 0 HB2 LYS A 64 6.764 -7.670 6.484 1.00 32.02 H new ATOM 0 HB3 LYS A 64 8.032 -6.696 7.202 1.00 32.02 H new ATOM 0 HG2 LYS A 64 6.257 -5.466 8.513 1.00 50.31 H new ATOM 0 HG3 LYS A 64 5.072 -6.590 7.877 1.00 50.31 H new ATOM 0 HD2 LYS A 64 6.387 -8.491 8.842 1.00 71.32 H new ATOM 0 HD3 LYS A 64 7.525 -7.342 9.518 1.00 71.32 H new ATOM 0 HE2 LYS A 64 5.540 -6.264 10.728 1.00 75.44 H new ATOM 0 HE3 LYS A 64 4.580 -7.635 10.210 1.00 75.44 H new ATOM 0 HZ1 LYS A 64 5.464 -7.970 12.424 1.00 64.53 H new ATOM 0 HZ2 LYS A 64 6.124 -9.114 11.357 1.00 64.53 H new ATOM 0 HZ3 LYS A 64 7.055 -7.786 11.859 1.00 64.53 H new ATOM 1052 N SER A 65 8.561 -4.096 6.402 1.00 30.15 N ATOM 1053 CA SER A 65 9.161 -2.872 6.916 1.00 20.54 C ATOM 1054 C SER A 65 8.808 -1.669 6.040 1.00 51.15 C ATOM 1055 O SER A 65 8.654 -0.556 6.535 1.00 51.22 O ATOM 1056 CB SER A 65 10.680 -3.044 7.002 1.00 31.23 C ATOM 1057 OG SER A 65 11.015 -4.257 7.663 1.00 1.23 O ATOM 0 H SER A 65 9.238 -4.797 6.102 1.00 30.15 H new ATOM 0 HA SER A 65 8.761 -2.682 7.912 1.00 20.54 H new ATOM 0 HB2 SER A 65 11.108 -3.041 6.000 1.00 31.23 H new ATOM 0 HB3 SER A 65 11.116 -2.201 7.537 1.00 31.23 H new ATOM 0 HG SER A 65 11.990 -4.348 7.706 1.00 1.23 H new ATOM 1063 N ALA A 66 8.678 -1.895 4.737 1.00 61.41 N ATOM 1064 CA ALA A 66 8.297 -0.826 3.821 1.00 21.23 C ATOM 1065 C ALA A 66 6.804 -0.517 3.930 1.00 4.44 C ATOM 1066 O ALA A 66 6.402 0.645 3.975 1.00 70.13 O ATOM 1067 CB ALA A 66 8.661 -1.185 2.387 1.00 20.31 C ATOM 0 H ALA A 66 8.829 -2.801 4.294 1.00 61.41 H new ATOM 0 HA ALA A 66 8.853 0.068 4.104 1.00 21.23 H new ATOM 0 HB1 ALA A 66 8.367 -0.372 1.723 1.00 20.31 H new ATOM 0 HB2 ALA A 66 9.737 -1.343 2.313 1.00 20.31 H new ATOM 0 HB3 ALA A 66 8.140 -2.097 2.097 1.00 20.31 H new ATOM 1073 N ALA A 67 5.989 -1.567 3.999 1.00 70.23 N ATOM 1074 CA ALA A 67 4.535 -1.417 4.010 1.00 24.45 C ATOM 1075 C ALA A 67 4.042 -0.752 5.296 1.00 32.15 C ATOM 1076 O ALA A 67 2.957 -0.166 5.323 1.00 51.11 O ATOM 1077 CB ALA A 67 3.858 -2.767 3.816 1.00 1.25 C ATOM 0 H ALA A 67 6.311 -2.533 4.048 1.00 70.23 H new ATOM 0 HA ALA A 67 4.267 -0.764 3.179 1.00 24.45 H new ATOM 0 HB1 ALA A 67 2.776 -2.636 3.827 1.00 1.25 H new ATOM 0 HB2 ALA A 67 4.162 -3.193 2.860 1.00 1.25 H new ATOM 0 HB3 ALA A 67 4.150 -3.440 4.622 1.00 1.25 H new ATOM 1083 N GLU A 68 4.829 -0.843 6.361 1.00 44.35 N ATOM 1084 CA GLU A 68 4.465 -0.211 7.626 1.00 21.12 C ATOM 1085 C GLU A 68 4.892 1.254 7.640 1.00 52.14 C ATOM 1086 O GLU A 68 4.571 1.996 8.566 1.00 21.11 O ATOM 1087 CB GLU A 68 5.079 -0.959 8.815 1.00 72.43 C ATOM 1088 CG GLU A 68 6.589 -1.105 8.738 1.00 24.53 C ATOM 1089 CD GLU A 68 7.170 -1.863 9.914 1.00 55.42 C ATOM 1090 OE1 GLU A 68 8.113 -1.344 10.552 1.00 41.34 O ATOM 1091 OE2 GLU A 68 6.684 -2.974 10.212 1.00 45.55 O ATOM 0 H GLU A 68 5.717 -1.344 6.376 1.00 44.35 H new ATOM 0 HA GLU A 68 3.380 -0.257 7.721 1.00 21.12 H new ATOM 0 HB2 GLU A 68 4.821 -0.433 9.734 1.00 72.43 H new ATOM 0 HB3 GLU A 68 4.631 -1.951 8.878 1.00 72.43 H new ATOM 0 HG2 GLU A 68 6.852 -1.621 7.814 1.00 24.53 H new ATOM 0 HG3 GLU A 68 7.043 -0.115 8.691 1.00 24.53 H new ATOM 1099 N MET A 69 5.618 1.665 6.607 1.00 23.43 N ATOM 1100 CA MET A 69 6.030 3.056 6.464 1.00 71.45 C ATOM 1101 C MET A 69 5.159 3.759 5.428 1.00 42.30 C ATOM 1102 O MET A 69 5.335 4.944 5.139 1.00 65.55 O ATOM 1103 CB MET A 69 7.510 3.145 6.071 1.00 33.41 C ATOM 1104 CG MET A 69 8.441 2.551 7.115 1.00 23.53 C ATOM 1105 SD MET A 69 10.189 2.700 6.685 1.00 33.21 S ATOM 1106 CE MET A 69 10.411 4.475 6.772 1.00 34.31 C ATOM 0 H MET A 69 5.934 1.053 5.855 1.00 23.43 H new ATOM 0 HA MET A 69 5.902 3.555 7.425 1.00 71.45 H new ATOM 0 HB2 MET A 69 7.660 2.628 5.123 1.00 33.41 H new ATOM 0 HB3 MET A 69 7.775 4.190 5.909 1.00 33.41 H new ATOM 0 HG2 MET A 69 8.266 3.045 8.070 1.00 23.53 H new ATOM 0 HG3 MET A 69 8.197 1.498 7.252 1.00 23.53 H new ATOM 0 HE1 MET A 69 11.393 4.739 6.379 1.00 34.31 H new ATOM 0 HE2 MET A 69 9.639 4.968 6.181 1.00 34.31 H new ATOM 0 HE3 MET A 69 10.337 4.801 7.810 1.00 34.31 H new ATOM 1116 N ILE A 70 4.213 3.017 4.873 1.00 74.44 N ATOM 1117 CA ILE A 70 3.279 3.570 3.906 1.00 2.41 C ATOM 1118 C ILE A 70 1.951 3.897 4.583 1.00 2.21 C ATOM 1119 O ILE A 70 1.249 3.004 5.057 1.00 64.10 O ATOM 1120 CB ILE A 70 3.033 2.602 2.731 1.00 64.03 C ATOM 1121 CG1 ILE A 70 4.356 2.249 2.047 1.00 60.52 C ATOM 1122 CG2 ILE A 70 2.070 3.219 1.727 1.00 42.44 C ATOM 1123 CD1 ILE A 70 4.219 1.216 0.948 1.00 4.04 C ATOM 0 H ILE A 70 4.072 2.028 5.077 1.00 74.44 H new ATOM 0 HA ILE A 70 3.724 4.482 3.508 1.00 2.41 H new ATOM 0 HB ILE A 70 2.588 1.688 3.124 1.00 64.03 H new ATOM 0 HG12 ILE A 70 4.791 3.156 1.628 1.00 60.52 H new ATOM 0 HG13 ILE A 70 5.054 1.878 2.797 1.00 60.52 H new ATOM 0 HG21 ILE A 70 1.907 2.523 0.904 1.00 42.44 H new ATOM 0 HG22 ILE A 70 1.120 3.430 2.217 1.00 42.44 H new ATOM 0 HG23 ILE A 70 2.493 4.146 1.340 1.00 42.44 H new ATOM 0 HD11 ILE A 70 5.198 1.018 0.511 1.00 4.04 H new ATOM 0 HD12 ILE A 70 3.814 0.294 1.364 1.00 4.04 H new ATOM 0 HD13 ILE A 70 3.547 1.592 0.177 1.00 4.04 H new ATOM 1135 N GLU A 71 1.635 5.179 4.635 1.00 24.33 N ATOM 1136 CA GLU A 71 0.401 5.654 5.234 1.00 61.35 C ATOM 1137 C GLU A 71 -0.679 5.752 4.167 1.00 35.12 C ATOM 1138 O GLU A 71 -0.522 6.472 3.175 1.00 74.23 O ATOM 1139 CB GLU A 71 0.641 7.017 5.883 1.00 11.44 C ATOM 1140 CG GLU A 71 -0.598 7.667 6.469 1.00 12.20 C ATOM 1141 CD GLU A 71 -0.326 8.291 7.817 1.00 61.22 C ATOM 1142 OE1 GLU A 71 0.769 8.871 7.996 1.00 54.41 O ATOM 1143 OE2 GLU A 71 -1.206 8.231 8.694 1.00 4.33 O ATOM 0 H GLU A 71 2.228 5.921 4.262 1.00 24.33 H new ATOM 0 HA GLU A 71 0.070 4.954 6.001 1.00 61.35 H new ATOM 0 HB2 GLU A 71 1.383 6.902 6.673 1.00 11.44 H new ATOM 0 HB3 GLU A 71 1.069 7.688 5.139 1.00 11.44 H new ATOM 0 HG2 GLU A 71 -0.965 8.431 5.784 1.00 12.20 H new ATOM 0 HG3 GLU A 71 -1.387 6.921 6.567 1.00 12.20 H new ATOM 1151 N VAL A 72 -1.765 5.021 4.362 1.00 1.34 N ATOM 1152 CA VAL A 72 -2.815 4.944 3.359 1.00 32.02 C ATOM 1153 C VAL A 72 -4.195 5.175 3.963 1.00 63.01 C ATOM 1154 O VAL A 72 -4.392 5.051 5.172 1.00 22.31 O ATOM 1155 CB VAL A 72 -2.815 3.577 2.638 1.00 50.23 C ATOM 1156 CG1 VAL A 72 -1.553 3.397 1.812 1.00 23.21 C ATOM 1157 CG2 VAL A 72 -2.963 2.440 3.639 1.00 71.42 C ATOM 0 H VAL A 72 -1.942 4.473 5.204 1.00 1.34 H new ATOM 0 HA VAL A 72 -2.602 5.734 2.639 1.00 32.02 H new ATOM 0 HB VAL A 72 -3.670 3.555 1.962 1.00 50.23 H new ATOM 0 HG11 VAL A 72 -1.579 2.427 1.315 1.00 23.21 H new ATOM 0 HG12 VAL A 72 -1.493 4.187 1.063 1.00 23.21 H new ATOM 0 HG13 VAL A 72 -0.681 3.448 2.464 1.00 23.21 H new ATOM 0 HG21 VAL A 72 -2.961 1.487 3.110 1.00 71.42 H new ATOM 0 HG22 VAL A 72 -2.132 2.466 4.344 1.00 71.42 H new ATOM 0 HG23 VAL A 72 -3.902 2.552 4.181 1.00 71.42 H new ATOM 1167 N GLU A 73 -5.136 5.513 3.099 1.00 32.42 N ATOM 1168 CA GLU A 73 -6.537 5.635 3.480 1.00 14.03 C ATOM 1169 C GLU A 73 -7.286 4.394 3.040 1.00 71.41 C ATOM 1170 O GLU A 73 -7.138 3.958 1.901 1.00 64.53 O ATOM 1171 CB GLU A 73 -7.201 6.841 2.813 1.00 62.52 C ATOM 1172 CG GLU A 73 -6.684 8.193 3.261 1.00 51.34 C ATOM 1173 CD GLU A 73 -7.550 9.316 2.733 1.00 52.24 C ATOM 1174 OE1 GLU A 73 -8.450 9.769 3.468 1.00 35.14 O ATOM 1175 OE2 GLU A 73 -7.361 9.732 1.570 1.00 24.33 O ATOM 0 H GLU A 73 -4.954 5.711 2.115 1.00 32.42 H new ATOM 0 HA GLU A 73 -6.573 5.761 4.562 1.00 14.03 H new ATOM 0 HB2 GLU A 73 -7.068 6.758 1.734 1.00 62.52 H new ATOM 0 HB3 GLU A 73 -8.273 6.798 3.006 1.00 62.52 H new ATOM 0 HG2 GLU A 73 -6.658 8.232 4.350 1.00 51.34 H new ATOM 0 HG3 GLU A 73 -5.660 8.326 2.913 1.00 51.34 H new ATOM 1183 N LEU A 74 -8.084 3.826 3.924 1.00 52.20 N ATOM 1184 CA LEU A 74 -8.922 2.703 3.548 1.00 12.43 C ATOM 1185 C LEU A 74 -10.110 3.239 2.754 1.00 54.43 C ATOM 1186 O LEU A 74 -11.023 3.833 3.327 1.00 25.53 O ATOM 1187 CB LEU A 74 -9.393 1.940 4.797 1.00 42.21 C ATOM 1188 CG LEU A 74 -9.695 0.443 4.606 1.00 75.13 C ATOM 1189 CD1 LEU A 74 -10.824 0.222 3.614 1.00 54.11 C ATOM 1190 CD2 LEU A 74 -8.446 -0.296 4.158 1.00 42.15 C ATOM 0 H LEU A 74 -8.170 4.119 4.897 1.00 52.20 H new ATOM 0 HA LEU A 74 -8.357 2.002 2.934 1.00 12.43 H new ATOM 0 HB2 LEU A 74 -8.629 2.040 5.568 1.00 42.21 H new ATOM 0 HB3 LEU A 74 -10.293 2.425 5.176 1.00 42.21 H new ATOM 0 HG LEU A 74 -10.017 0.045 5.568 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -11.009 -0.847 3.505 1.00 54.11 H new ATOM 0 HD12 LEU A 74 -11.728 0.711 3.977 1.00 54.11 H new ATOM 0 HD13 LEU A 74 -10.547 0.643 2.647 1.00 54.11 H new ATOM 0 HD21 LEU A 74 -8.676 -1.353 4.027 1.00 42.15 H new ATOM 0 HD22 LEU A 74 -8.097 0.119 3.212 1.00 42.15 H new ATOM 0 HD23 LEU A 74 -7.667 -0.185 4.912 1.00 42.15 H new ATOM 1202 N GLU A 75 -10.084 3.042 1.438 1.00 71.35 N ATOM 1203 CA GLU A 75 -11.116 3.577 0.553 1.00 34.32 C ATOM 1204 C GLU A 75 -12.396 2.750 0.630 1.00 65.32 C ATOM 1205 O GLU A 75 -12.941 2.318 -0.389 1.00 61.54 O ATOM 1206 CB GLU A 75 -10.605 3.638 -0.892 1.00 60.30 C ATOM 1207 CG GLU A 75 -9.567 4.723 -1.130 1.00 1.44 C ATOM 1208 CD GLU A 75 -10.133 6.119 -0.949 1.00 64.42 C ATOM 1209 OE1 GLU A 75 -10.730 6.651 -1.910 1.00 65.05 O ATOM 1210 OE2 GLU A 75 -9.990 6.689 0.151 1.00 11.44 O ATOM 0 H GLU A 75 -9.355 2.513 0.959 1.00 71.35 H new ATOM 0 HA GLU A 75 -11.350 4.588 0.886 1.00 34.32 H new ATOM 0 HB2 GLU A 75 -10.175 2.672 -1.156 1.00 60.30 H new ATOM 0 HB3 GLU A 75 -11.450 3.804 -1.560 1.00 60.30 H new ATOM 0 HG2 GLU A 75 -8.733 4.581 -0.442 1.00 1.44 H new ATOM 0 HG3 GLU A 75 -9.168 4.624 -2.140 1.00 1.44 H new ATOM 1218 N HIS A 76 -12.870 2.541 1.846 1.00 1.51 N ATOM 1219 CA HIS A 76 -14.131 1.866 2.076 1.00 62.32 C ATOM 1220 C HIS A 76 -15.264 2.860 1.903 1.00 60.25 C ATOM 1221 O HIS A 76 -15.311 3.882 2.590 1.00 21.23 O ATOM 1222 CB HIS A 76 -14.167 1.253 3.483 1.00 43.35 C ATOM 1223 CG HIS A 76 -15.500 0.685 3.874 1.00 50.33 C ATOM 1224 ND1 HIS A 76 -15.947 -0.549 3.464 1.00 72.23 N ATOM 1225 CD2 HIS A 76 -16.485 1.204 4.640 1.00 23.32 C ATOM 1226 CE1 HIS A 76 -17.150 -0.763 3.960 1.00 21.05 C ATOM 1227 NE2 HIS A 76 -17.502 0.285 4.681 1.00 62.51 N ATOM 0 H HIS A 76 -12.392 2.834 2.698 1.00 1.51 H new ATOM 0 HA HIS A 76 -14.243 1.057 1.354 1.00 62.32 H new ATOM 0 HB2 HIS A 76 -13.417 0.464 3.542 1.00 43.35 H new ATOM 0 HB3 HIS A 76 -13.884 2.017 4.207 1.00 43.35 H new ATOM 0 HD2 HIS A 76 -16.473 2.166 5.130 1.00 23.32 H new ATOM 0 HE1 HIS A 76 -17.748 -1.649 3.802 1.00 21.05 H new ATOM 0 HE2 HIS A 76 -18.383 0.393 5.184 1.00 62.51 H new ATOM 1236 N HIS A 77 -16.164 2.565 0.983 1.00 43.32 N ATOM 1237 CA HIS A 77 -17.277 3.453 0.714 1.00 12.31 C ATOM 1238 C HIS A 77 -18.223 3.481 1.906 1.00 42.03 C ATOM 1239 O HIS A 77 -18.812 2.465 2.272 1.00 72.30 O ATOM 1240 CB HIS A 77 -18.023 3.028 -0.552 1.00 21.21 C ATOM 1241 CG HIS A 77 -19.145 3.944 -0.921 1.00 54.43 C ATOM 1242 ND1 HIS A 77 -20.456 3.537 -0.989 1.00 65.01 N ATOM 1243 CD2 HIS A 77 -19.143 5.256 -1.250 1.00 43.00 C ATOM 1244 CE1 HIS A 77 -21.213 4.557 -1.340 1.00 44.22 C ATOM 1245 NE2 HIS A 77 -20.442 5.614 -1.506 1.00 51.51 N ATOM 0 H HIS A 77 -16.145 1.720 0.412 1.00 43.32 H new ATOM 0 HA HIS A 77 -16.884 4.457 0.552 1.00 12.31 H new ATOM 0 HB2 HIS A 77 -17.317 2.980 -1.381 1.00 21.21 H new ATOM 0 HB3 HIS A 77 -18.418 2.022 -0.411 1.00 21.21 H new ATOM 0 HD2 HIS A 77 -18.279 5.902 -1.302 1.00 43.00 H new ATOM 0 HE1 HIS A 77 -22.285 4.532 -1.470 1.00 44.22 H new ATOM 0 HE2 HIS A 77 -20.759 6.544 -1.780 1.00 51.51 H new ATOM 1254 N HIS A 78 -18.335 4.641 2.521 1.00 41.20 N ATOM 1255 CA HIS A 78 -19.215 4.823 3.662 1.00 21.33 C ATOM 1256 C HIS A 78 -19.987 6.122 3.509 1.00 20.14 C ATOM 1257 O HIS A 78 -19.560 7.174 3.980 1.00 33.31 O ATOM 1258 CB HIS A 78 -18.415 4.817 4.972 1.00 52.22 C ATOM 1259 CG HIS A 78 -19.256 4.945 6.210 1.00 13.41 C ATOM 1260 ND1 HIS A 78 -19.893 3.877 6.801 1.00 43.23 N ATOM 1261 CD2 HIS A 78 -19.554 6.025 6.972 1.00 13.14 C ATOM 1262 CE1 HIS A 78 -20.547 4.294 7.870 1.00 2.44 C ATOM 1263 NE2 HIS A 78 -20.356 5.593 7.996 1.00 2.45 N ATOM 0 H HIS A 78 -17.823 5.480 2.248 1.00 41.20 H new ATOM 0 HA HIS A 78 -19.922 3.994 3.700 1.00 21.33 H new ATOM 0 HB2 HIS A 78 -17.842 3.891 5.030 1.00 52.22 H new ATOM 0 HB3 HIS A 78 -17.696 5.636 4.949 1.00 52.22 H new ATOM 0 HD2 HIS A 78 -19.221 7.039 6.804 1.00 13.14 H new ATOM 0 HE1 HIS A 78 -21.138 3.676 8.529 1.00 2.44 H new ATOM 0 HE2 HIS A 78 -20.742 6.180 8.735 1.00 2.45 H new ATOM 1272 N HIS A 79 -21.110 6.043 2.817 1.00 41.02 N ATOM 1273 CA HIS A 79 -21.930 7.216 2.564 1.00 22.04 C ATOM 1274 C HIS A 79 -23.055 7.298 3.581 1.00 73.15 C ATOM 1275 O HIS A 79 -23.870 6.383 3.690 1.00 54.32 O ATOM 1276 CB HIS A 79 -22.511 7.165 1.148 1.00 34.14 C ATOM 1277 CG HIS A 79 -23.302 8.383 0.777 1.00 45.33 C ATOM 1278 ND1 HIS A 79 -24.678 8.389 0.674 1.00 50.22 N ATOM 1279 CD2 HIS A 79 -22.903 9.645 0.483 1.00 34.41 C ATOM 1280 CE1 HIS A 79 -25.088 9.598 0.335 1.00 72.14 C ATOM 1281 NE2 HIS A 79 -24.031 10.377 0.215 1.00 32.32 N ATOM 0 H HIS A 79 -21.476 5.178 2.419 1.00 41.02 H new ATOM 0 HA HIS A 79 -21.303 8.103 2.655 1.00 22.04 H new ATOM 0 HB2 HIS A 79 -21.696 7.041 0.435 1.00 34.14 H new ATOM 0 HB3 HIS A 79 -23.150 6.286 1.058 1.00 34.14 H new ATOM 0 HD2 HIS A 79 -21.886 10.007 0.464 1.00 34.41 H new ATOM 0 HE1 HIS A 79 -26.114 9.897 0.182 1.00 72.14 H new ATOM 0 HE2 HIS A 79 -24.049 11.365 -0.037 1.00 32.32 H new ATOM 1290 N HIS A 80 -23.095 8.393 4.319 1.00 54.42 N ATOM 1291 CA HIS A 80 -24.141 8.608 5.305 1.00 23.11 C ATOM 1292 C HIS A 80 -24.510 10.086 5.353 1.00 73.43 C ATOM 1293 O HIS A 80 -25.661 10.460 5.122 1.00 0.45 O ATOM 1294 CB HIS A 80 -23.688 8.127 6.690 1.00 4.44 C ATOM 1295 CG HIS A 80 -24.809 8.019 7.685 1.00 11.52 C ATOM 1296 ND1 HIS A 80 -25.163 6.833 8.289 1.00 44.31 N ATOM 1297 CD2 HIS A 80 -25.653 8.954 8.184 1.00 42.21 C ATOM 1298 CE1 HIS A 80 -26.175 7.041 9.108 1.00 32.53 C ATOM 1299 NE2 HIS A 80 -26.490 8.321 9.064 1.00 54.33 N ATOM 0 H HIS A 80 -22.414 9.149 4.254 1.00 54.42 H new ATOM 0 HA HIS A 80 -25.019 8.031 5.015 1.00 23.11 H new ATOM 0 HB2 HIS A 80 -23.208 7.154 6.588 1.00 4.44 H new ATOM 0 HB3 HIS A 80 -22.935 8.815 7.076 1.00 4.44 H new ATOM 0 HD2 HIS A 80 -25.664 10.005 7.934 1.00 42.21 H new ATOM 0 HE1 HIS A 80 -26.663 6.291 9.712 1.00 32.53 H new ATOM 0 HE2 HIS A 80 -27.236 8.767 9.598 1.00 54.33 H new ATOM 1308 N HIS A 81 -23.527 10.920 5.650 1.00 0.44 N ATOM 1309 CA HIS A 81 -23.738 12.353 5.732 1.00 71.11 C ATOM 1310 C HIS A 81 -22.500 13.072 5.208 1.00 51.44 C ATOM 1311 O HIS A 81 -21.755 13.660 6.016 1.00 39.94 O ATOM 1312 CB HIS A 81 -24.033 12.755 7.183 1.00 24.20 C ATOM 1313 CG HIS A 81 -24.587 14.137 7.341 1.00 73.15 C ATOM 1314 ND1 HIS A 81 -25.938 14.399 7.351 1.00 70.11 N ATOM 1315 CD2 HIS A 81 -23.974 15.330 7.525 1.00 35.42 C ATOM 1316 CE1 HIS A 81 -26.135 15.692 7.533 1.00 52.22 C ATOM 1317 NE2 HIS A 81 -24.957 16.277 7.641 1.00 32.21 N ATOM 1318 OXT HIS A 81 -22.255 13.004 3.987 1.00 39.94 O ATOM 0 H HIS A 81 -22.569 10.625 5.839 1.00 0.44 H new ATOM 0 HA HIS A 81 -24.595 12.638 5.121 1.00 71.11 H new ATOM 0 HB2 HIS A 81 -24.740 12.042 7.608 1.00 24.20 H new ATOM 0 HB3 HIS A 81 -23.114 12.677 7.763 1.00 24.20 H new ATOM 0 HD2 HIS A 81 -22.909 15.503 7.572 1.00 35.42 H new ATOM 0 HE1 HIS A 81 -27.094 16.185 7.585 1.00 52.22 H new ATOM 0 HE2 HIS A 81 -24.803 17.275 7.787 1.00 32.21 H new TER 1327 HIS A 81