USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 35 SER OG : rot 180:sc= 0.0135 USER MOD Set 1.2: A 37 TYR OH : rot 90:sc= 0.00929 USER MOD Single : A 31 THR OG1 : rot -126:sc= 0.496 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.348 K(o=0.35,f=-2.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.743 K(o=0.74,f=-0.017) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00407) USER MOD Single : A 49 MET CE :methyl -174:sc= -0.697 (180deg=-0.774) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.417) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 160:sc= -0.0585 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0.407 K(o=0.41,f=-3.2!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0.0441 USER MOD Single : B 44 GLN : amide:sc= -0.302! X(o=-0.3!,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 163:sc= -1.86 (180deg=-2.41!) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot -54:sc= 0.0381 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -148:sc= 1.11 (180deg=0.421) USER MOD Single : B 64 TYR OH : rot 180:sc= -0.0222 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -6.725 14.112 -13.464 1.00 0.00 N ATOM 2 CA THR A 31 -7.266 13.012 -12.630 1.00 0.00 C ATOM 3 C THR A 31 -6.519 12.759 -11.304 1.00 0.00 C ATOM 4 O THR A 31 -5.881 13.662 -10.750 1.00 0.00 O ATOM 5 CB THR A 31 -7.513 11.750 -13.483 1.00 0.00 C ATOM 6 OG1 THR A 31 -8.454 10.920 -12.839 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.283 10.922 -13.841 1.00 0.00 C ATOM 0 HA THR A 31 -8.237 13.350 -12.269 1.00 0.00 H new ATOM 0 HB THR A 31 -7.880 12.135 -14.434 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.081 10.019 -12.738 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.584 10.063 -14.441 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.585 11.535 -14.411 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.800 10.575 -12.928 1.00 0.00 H new ATOM 15 N ARG A 32 -6.674 11.571 -10.702 1.00 0.00 N ATOM 16 CA ARG A 32 -6.010 11.158 -9.476 1.00 0.00 C ATOM 17 C ARG A 32 -4.546 10.801 -9.741 1.00 0.00 C ATOM 18 O ARG A 32 -4.249 9.721 -10.250 1.00 0.00 O ATOM 19 CB ARG A 32 -6.802 9.994 -8.868 1.00 0.00 C ATOM 20 CG ARG A 32 -6.407 9.722 -7.418 1.00 0.00 C ATOM 21 CD ARG A 32 -6.878 10.815 -6.448 1.00 0.00 C ATOM 22 NE ARG A 32 -5.950 11.959 -6.322 1.00 0.00 N ATOM 23 CZ ARG A 32 -4.812 12.021 -5.651 1.00 0.00 C ATOM 24 NH1 ARG A 32 -4.360 11.026 -4.944 1.00 0.00 N ATOM 25 NH2 ARG A 32 -4.099 13.110 -5.671 1.00 0.00 N ATOM 0 H ARG A 32 -7.291 10.850 -11.077 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.991 11.978 -8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.868 10.217 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.637 9.095 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.826 8.765 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.323 9.631 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.848 11.184 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.025 10.371 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.222 12.809 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.889 10.155 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.477 11.117 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.418 13.918 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.222 13.155 -5.152 1.00 0.00 H new ATOM 39 N ALA A 33 -3.647 11.726 -9.416 1.00 0.00 N ATOM 40 CA ALA A 33 -2.200 11.541 -9.500 1.00 0.00 C ATOM 41 C ALA A 33 -1.702 10.408 -8.579 1.00 0.00 C ATOM 42 O ALA A 33 -2.111 10.304 -7.419 1.00 0.00 O ATOM 43 CB ALA A 33 -1.537 12.875 -9.138 1.00 0.00 C ATOM 0 H ALA A 33 -3.912 12.651 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.933 11.242 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.453 12.769 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.862 13.645 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.824 13.161 -8.126 1.00 0.00 H new ATOM 49 N VAL A 34 -0.784 9.587 -9.092 1.00 0.00 N ATOM 50 CA VAL A 34 -0.190 8.414 -8.427 1.00 0.00 C ATOM 51 C VAL A 34 1.328 8.482 -8.563 1.00 0.00 C ATOM 52 O VAL A 34 1.883 7.942 -9.514 1.00 0.00 O ATOM 53 CB VAL A 34 -0.721 7.097 -9.030 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.248 5.884 -8.220 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.241 7.049 -9.120 1.00 0.00 C ATOM 0 H VAL A 34 -0.412 9.725 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.470 8.429 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.315 7.060 -10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.639 4.971 -8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.841 5.850 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.610 5.967 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.550 6.097 -9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.668 7.150 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.594 7.865 -9.750 1.00 0.00 H new ATOM 65 N SER A 35 1.999 9.183 -7.650 1.00 0.00 N ATOM 66 CA SER A 35 3.449 9.427 -7.688 1.00 0.00 C ATOM 67 C SER A 35 4.183 8.588 -6.644 1.00 0.00 C ATOM 68 O SER A 35 4.074 8.841 -5.441 1.00 0.00 O ATOM 69 CB SER A 35 3.729 10.918 -7.532 1.00 0.00 C ATOM 70 OG SER A 35 5.112 11.208 -7.667 1.00 0.00 O ATOM 0 H SER A 35 1.543 9.609 -6.843 1.00 0.00 H new ATOM 0 HA SER A 35 3.834 9.113 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.165 11.475 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.380 11.254 -6.556 1.00 0.00 H new ATOM 0 HG SER A 35 5.256 12.172 -7.563 1.00 0.00 H new ATOM 76 N LEU A 36 4.881 7.549 -7.110 1.00 0.00 N ATOM 77 CA LEU A 36 5.466 6.478 -6.301 1.00 0.00 C ATOM 78 C LEU A 36 6.931 6.187 -6.669 1.00 0.00 C ATOM 79 O LEU A 36 7.439 6.599 -7.716 1.00 0.00 O ATOM 80 CB LEU A 36 4.589 5.216 -6.442 1.00 0.00 C ATOM 81 CG LEU A 36 3.153 5.355 -5.903 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.379 4.069 -6.183 1.00 0.00 C ATOM 83 CD2 LEU A 36 3.114 5.602 -4.395 1.00 0.00 C ATOM 0 H LEU A 36 5.061 7.427 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 36 5.484 6.802 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.540 4.942 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.078 4.393 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 36 2.708 6.213 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.362 4.166 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.348 3.890 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.873 3.232 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.078 5.692 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.587 4.767 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.649 6.523 -4.163 1.00 0.00 H new ATOM 95 N TYR A 37 7.596 5.452 -5.774 1.00 0.00 N ATOM 96 CA TYR A 37 9.050 5.287 -5.705 1.00 0.00 C ATOM 97 C TYR A 37 9.393 3.809 -5.468 1.00 0.00 C ATOM 98 O TYR A 37 9.511 3.342 -4.331 1.00 0.00 O ATOM 99 CB TYR A 37 9.608 6.230 -4.623 1.00 0.00 C ATOM 100 CG TYR A 37 9.123 7.664 -4.768 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.678 8.505 -5.753 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.041 8.121 -3.987 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.154 9.796 -5.963 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.506 9.404 -4.203 1.00 0.00 C ATOM 105 CZ TYR A 37 8.060 10.246 -5.192 1.00 0.00 C ATOM 106 OH TYR A 37 7.525 11.481 -5.400 1.00 0.00 O ATOM 0 H TYR A 37 7.112 4.931 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 37 9.523 5.563 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.322 5.854 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.697 6.216 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.509 8.158 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.622 7.485 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.589 10.441 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.670 9.746 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 37 6.811 11.420 -6.068 1.00 0.00 H new ATOM 116 N PHE A 38 9.438 3.040 -6.556 1.00 0.00 N ATOM 117 CA PHE A 38 9.797 1.627 -6.593 1.00 0.00 C ATOM 118 C PHE A 38 11.321 1.443 -6.473 1.00 0.00 C ATOM 119 O PHE A 38 12.083 2.411 -6.550 1.00 0.00 O ATOM 120 CB PHE A 38 9.272 1.072 -7.925 1.00 0.00 C ATOM 121 CG PHE A 38 7.807 0.655 -7.922 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.778 1.605 -7.752 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.466 -0.699 -8.111 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.428 1.209 -7.799 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.119 -1.098 -8.140 1.00 0.00 C ATOM 126 CZ PHE A 38 5.097 -0.144 -7.994 1.00 0.00 C ATOM 0 H PHE A 38 9.213 3.407 -7.481 1.00 0.00 H new ATOM 0 HA PHE A 38 9.355 1.091 -5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.416 1.828 -8.697 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.878 0.210 -8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.028 2.642 -7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.246 -1.436 -8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.646 1.945 -7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.868 -2.140 -8.275 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.062 -0.449 -8.031 1.00 0.00 H new ATOM 136 N SER A 39 11.778 0.195 -6.345 1.00 0.00 N ATOM 137 CA SER A 39 13.202 -0.150 -6.329 1.00 0.00 C ATOM 138 C SER A 39 13.613 -0.853 -7.610 1.00 0.00 C ATOM 139 O SER A 39 12.768 -1.378 -8.331 1.00 0.00 O ATOM 140 CB SER A 39 13.553 -0.993 -5.095 1.00 0.00 C ATOM 141 OG SER A 39 13.313 -0.264 -3.901 1.00 0.00 O ATOM 0 H SER A 39 11.163 -0.613 -6.249 1.00 0.00 H new ATOM 0 HA SER A 39 13.767 0.780 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.960 -1.908 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.600 -1.292 -5.139 1.00 0.00 H new ATOM 0 HG SER A 39 13.541 -0.820 -3.127 1.00 0.00 H new ATOM 147 N ASP A 40 14.916 -0.866 -7.896 1.00 0.00 N ATOM 148 CA ASP A 40 15.458 -1.401 -9.145 1.00 0.00 C ATOM 149 C ASP A 40 14.973 -2.825 -9.428 1.00 0.00 C ATOM 150 O ASP A 40 14.418 -3.070 -10.491 1.00 0.00 O ATOM 151 CB ASP A 40 16.991 -1.300 -9.142 1.00 0.00 C ATOM 152 CG ASP A 40 17.451 0.068 -9.669 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.164 0.375 -10.853 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.093 0.830 -8.908 1.00 0.00 O ATOM 0 H ASP A 40 15.629 -0.503 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 40 15.079 -0.791 -9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.367 -1.450 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.413 -2.093 -9.760 1.00 0.00 H new ATOM 159 N GLU A 41 15.082 -3.748 -8.471 1.00 0.00 N ATOM 160 CA GLU A 41 14.620 -5.136 -8.627 1.00 0.00 C ATOM 161 C GLU A 41 13.125 -5.220 -8.953 1.00 0.00 C ATOM 162 O GLU A 41 12.722 -5.890 -9.905 1.00 0.00 O ATOM 163 CB GLU A 41 14.894 -5.916 -7.335 1.00 0.00 C ATOM 164 CG GLU A 41 16.382 -6.022 -6.989 1.00 0.00 C ATOM 165 CD GLU A 41 17.003 -7.332 -7.509 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.286 -7.432 -8.728 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.215 -8.272 -6.704 1.00 0.00 O ATOM 0 H GLU A 41 15.495 -3.556 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 41 15.169 -5.568 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.371 -5.432 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.479 -6.919 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.915 -5.173 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.508 -5.965 -5.908 1.00 0.00 H new ATOM 174 N GLN A 42 12.308 -4.509 -8.171 1.00 0.00 N ATOM 175 CA GLN A 42 10.852 -4.428 -8.340 1.00 0.00 C ATOM 176 C GLN A 42 10.478 -3.908 -9.736 1.00 0.00 C ATOM 177 O GLN A 42 9.628 -4.484 -10.418 1.00 0.00 O ATOM 178 CB GLN A 42 10.237 -3.507 -7.269 1.00 0.00 C ATOM 179 CG GLN A 42 10.586 -3.869 -5.814 1.00 0.00 C ATOM 180 CD GLN A 42 10.088 -2.825 -4.812 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.788 -1.683 -5.137 1.00 0.00 O ATOM 182 NE2 GLN A 42 10.013 -3.163 -3.544 1.00 0.00 N ATOM 0 H GLN A 42 12.648 -3.959 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 42 10.453 -5.436 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.564 -2.485 -7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.153 -3.521 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.150 -4.838 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.667 -3.972 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.259 -4.109 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.709 -2.479 -2.851 1.00 0.00 H new ATOM 191 N TYR A 43 11.130 -2.825 -10.172 1.00 0.00 N ATOM 192 CA TYR A 43 10.882 -2.197 -11.470 1.00 0.00 C ATOM 193 C TYR A 43 11.335 -3.082 -12.625 1.00 0.00 C ATOM 194 O TYR A 43 10.591 -3.318 -13.572 1.00 0.00 O ATOM 195 CB TYR A 43 11.621 -0.864 -11.550 1.00 0.00 C ATOM 196 CG TYR A 43 11.052 0.048 -12.622 1.00 0.00 C ATOM 197 CD1 TYR A 43 9.873 0.778 -12.369 1.00 0.00 C ATOM 198 CD2 TYR A 43 11.680 0.145 -13.878 1.00 0.00 C ATOM 199 CE1 TYR A 43 9.348 1.631 -13.357 1.00 0.00 C ATOM 200 CE2 TYR A 43 11.147 0.983 -14.875 1.00 0.00 C ATOM 201 CZ TYR A 43 9.981 1.735 -14.615 1.00 0.00 C ATOM 202 OH TYR A 43 9.477 2.556 -15.577 1.00 0.00 O ATOM 0 H TYR A 43 11.853 -2.356 -9.626 1.00 0.00 H new ATOM 0 HA TYR A 43 9.807 -2.043 -11.557 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.567 -0.363 -10.584 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.676 -1.048 -11.755 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.373 0.683 -11.417 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.575 -0.426 -14.077 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.458 2.208 -13.153 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.630 1.051 -15.839 1.00 0.00 H new ATOM 0 HH TYR A 43 10.039 2.505 -16.378 1.00 0.00 H new ATOM 212 N GLN A 44 12.559 -3.592 -12.521 1.00 0.00 N ATOM 213 CA GLN A 44 13.191 -4.452 -13.525 1.00 0.00 C ATOM 214 C GLN A 44 12.408 -5.751 -13.748 1.00 0.00 C ATOM 215 O GLN A 44 12.268 -6.177 -14.894 1.00 0.00 O ATOM 216 CB GLN A 44 14.662 -4.765 -13.197 1.00 0.00 C ATOM 217 CG GLN A 44 15.671 -3.772 -13.804 1.00 0.00 C ATOM 218 CD GLN A 44 15.650 -2.363 -13.202 1.00 0.00 C ATOM 219 OE1 GLN A 44 14.794 -1.539 -13.491 1.00 0.00 O ATOM 220 NE2 GLN A 44 16.631 -2.010 -12.396 1.00 0.00 N ATOM 0 H GLN A 44 13.158 -3.415 -11.714 1.00 0.00 H new ATOM 0 HA GLN A 44 13.174 -3.880 -14.453 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.787 -4.775 -12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.897 -5.768 -13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.674 -4.183 -13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.480 -3.694 -14.874 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.353 -2.685 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.668 -1.061 -12.023 1.00 0.00 H new ATOM 229 N LYS A 45 11.838 -6.359 -12.695 1.00 0.00 N ATOM 230 CA LYS A 45 10.902 -7.488 -12.839 1.00 0.00 C ATOM 231 C LYS A 45 9.697 -7.112 -13.706 1.00 0.00 C ATOM 232 O LYS A 45 9.325 -7.873 -14.600 1.00 0.00 O ATOM 233 CB LYS A 45 10.456 -8.000 -11.461 1.00 0.00 C ATOM 234 CG LYS A 45 10.068 -9.490 -11.474 1.00 0.00 C ATOM 235 CD LYS A 45 11.191 -10.420 -10.982 1.00 0.00 C ATOM 236 CE LYS A 45 12.456 -10.354 -11.850 1.00 0.00 C ATOM 237 NZ LYS A 45 13.515 -11.266 -11.339 1.00 0.00 N ATOM 0 H LYS A 45 12.010 -6.086 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 45 11.428 -8.295 -13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.262 -7.845 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.606 -7.411 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.187 -9.634 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.788 -9.776 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.448 -10.157 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.823 -11.446 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.208 -10.622 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.833 -9.331 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.356 -11.197 -11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.768 -10.994 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.163 -12.245 -11.344 1.00 0.00 H new ATOM 251 N LEU A 46 9.114 -5.929 -13.485 1.00 0.00 N ATOM 252 CA LEU A 46 7.990 -5.444 -14.294 1.00 0.00 C ATOM 253 C LEU A 46 8.392 -5.064 -15.724 1.00 0.00 C ATOM 254 O LEU A 46 7.672 -5.375 -16.665 1.00 0.00 O ATOM 255 CB LEU A 46 7.240 -4.310 -13.563 1.00 0.00 C ATOM 256 CG LEU A 46 5.889 -4.836 -13.055 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.190 -3.871 -12.106 1.00 0.00 C ATOM 258 CD2 LEU A 46 4.902 -5.035 -14.207 1.00 0.00 C ATOM 0 H LEU A 46 9.404 -5.286 -12.748 1.00 0.00 H new ATOM 0 HA LEU A 46 7.297 -6.277 -14.412 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.837 -3.943 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.084 -3.468 -14.238 1.00 0.00 H new ATOM 0 HG LEU A 46 6.136 -5.768 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.242 -4.301 -11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.823 -3.694 -11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.005 -2.927 -12.618 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.956 -5.408 -13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.736 -4.084 -14.712 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.310 -5.756 -14.916 1.00 0.00 H new ATOM 270 N GLU A 47 9.567 -4.472 -15.913 1.00 0.00 N ATOM 271 CA GLU A 47 10.146 -4.183 -17.230 1.00 0.00 C ATOM 272 C GLU A 47 10.402 -5.458 -18.051 1.00 0.00 C ATOM 273 O GLU A 47 10.082 -5.508 -19.241 1.00 0.00 O ATOM 274 CB GLU A 47 11.420 -3.345 -17.050 1.00 0.00 C ATOM 275 CG GLU A 47 12.033 -2.891 -18.379 1.00 0.00 C ATOM 276 CD GLU A 47 13.273 -2.008 -18.143 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.385 -2.558 -17.948 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.149 -0.759 -18.161 1.00 0.00 O ATOM 0 H GLU A 47 10.160 -4.171 -15.140 1.00 0.00 H new ATOM 0 HA GLU A 47 9.424 -3.606 -17.808 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.189 -2.468 -16.445 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.156 -3.928 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.310 -3.763 -18.972 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.292 -2.337 -18.955 1.00 0.00 H new ATOM 285 N LYS A 48 10.915 -6.518 -17.412 1.00 0.00 N ATOM 286 CA LYS A 48 11.159 -7.825 -18.031 1.00 0.00 C ATOM 287 C LYS A 48 9.866 -8.479 -18.533 1.00 0.00 C ATOM 288 O LYS A 48 9.863 -9.081 -19.607 1.00 0.00 O ATOM 289 CB LYS A 48 11.938 -8.714 -17.047 1.00 0.00 C ATOM 290 CG LYS A 48 12.387 -10.040 -17.687 1.00 0.00 C ATOM 291 CD LYS A 48 13.339 -10.846 -16.785 1.00 0.00 C ATOM 292 CE LYS A 48 14.729 -10.213 -16.597 1.00 0.00 C ATOM 293 NZ LYS A 48 15.531 -10.212 -17.853 1.00 0.00 N ATOM 0 H LYS A 48 11.178 -6.488 -16.427 1.00 0.00 H new ATOM 0 HA LYS A 48 11.770 -7.687 -18.923 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.813 -8.173 -16.686 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.313 -8.925 -16.179 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.509 -10.645 -17.913 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.882 -9.831 -18.635 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.875 -10.969 -15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.462 -11.843 -17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.613 -9.189 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.271 -10.758 -15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.470 -9.806 -17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.638 -11.187 -18.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.046 -9.641 -18.574 1.00 0.00 H new ATOM 307 N MET A 49 8.755 -8.314 -17.808 1.00 0.00 N ATOM 308 CA MET A 49 7.423 -8.711 -18.233 1.00 0.00 C ATOM 309 C MET A 49 6.869 -7.793 -19.333 1.00 0.00 C ATOM 310 O MET A 49 6.288 -8.266 -20.308 1.00 0.00 O ATOM 311 CB MET A 49 6.515 -8.652 -17.008 1.00 0.00 C ATOM 312 CG MET A 49 6.759 -9.783 -16.004 1.00 0.00 C ATOM 313 SD MET A 49 5.366 -10.090 -14.883 1.00 0.00 S ATOM 314 CE MET A 49 5.063 -8.433 -14.224 1.00 0.00 C ATOM 0 H MET A 49 8.766 -7.887 -16.882 1.00 0.00 H new ATOM 0 HA MET A 49 7.466 -9.716 -18.652 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.659 -7.695 -16.506 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.476 -8.687 -17.335 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.980 -10.699 -16.552 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.643 -9.545 -15.412 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.305 -8.485 -13.442 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.987 -8.033 -13.807 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.714 -7.781 -15.025 1.00 0.00 H new ATOM 324 N ALA A 50 7.074 -6.480 -19.212 1.00 0.00 N ATOM 325 CA ALA A 50 6.600 -5.474 -20.159 1.00 0.00 C ATOM 326 C ALA A 50 7.179 -5.636 -21.564 1.00 0.00 C ATOM 327 O ALA A 50 6.515 -5.259 -22.523 1.00 0.00 O ATOM 328 CB ALA A 50 6.852 -4.074 -19.588 1.00 0.00 C ATOM 0 H ALA A 50 7.589 -6.078 -18.429 1.00 0.00 H new ATOM 0 HA ALA A 50 5.527 -5.621 -20.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.498 -3.324 -20.295 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.317 -3.964 -18.644 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.920 -3.937 -19.418 1.00 0.00 H new ATOM 334 N ASN A 51 8.345 -6.265 -21.728 1.00 0.00 N ATOM 335 CA ASN A 51 8.876 -6.656 -23.034 1.00 0.00 C ATOM 336 C ASN A 51 7.915 -7.563 -23.837 1.00 0.00 C ATOM 337 O ASN A 51 7.918 -7.515 -25.066 1.00 0.00 O ATOM 338 CB ASN A 51 10.248 -7.302 -22.811 1.00 0.00 C ATOM 339 CG ASN A 51 10.936 -7.667 -24.117 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.319 -6.813 -24.904 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.125 -8.939 -24.390 1.00 0.00 N ATOM 0 H ASN A 51 8.953 -6.519 -20.949 1.00 0.00 H new ATOM 0 HA ASN A 51 8.983 -5.768 -23.656 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.882 -6.617 -22.249 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.130 -8.199 -22.203 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.590 -9.211 -25.256 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.807 -9.654 -23.736 1.00 0.00 H new ATOM 348 N GLU A 52 7.039 -8.324 -23.171 1.00 0.00 N ATOM 349 CA GLU A 52 5.987 -9.123 -23.816 1.00 0.00 C ATOM 350 C GLU A 52 4.851 -8.259 -24.407 1.00 0.00 C ATOM 351 O GLU A 52 4.265 -8.605 -25.433 1.00 0.00 O ATOM 352 CB GLU A 52 5.395 -10.157 -22.843 1.00 0.00 C ATOM 353 CG GLU A 52 6.459 -11.112 -22.282 1.00 0.00 C ATOM 354 CD GLU A 52 5.821 -12.243 -21.452 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.265 -13.199 -22.050 1.00 0.00 O ATOM 356 OE2 GLU A 52 5.887 -12.203 -20.200 1.00 0.00 O ATOM 0 H GLU A 52 7.040 -8.404 -22.154 1.00 0.00 H new ATOM 0 HA GLU A 52 6.473 -9.640 -24.643 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.907 -9.638 -22.019 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.626 -10.735 -23.356 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.033 -11.541 -23.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.159 -10.554 -21.661 1.00 0.00 H new ATOM 363 N GLU A 53 4.573 -7.107 -23.789 1.00 0.00 N ATOM 364 CA GLU A 53 3.699 -6.030 -24.270 1.00 0.00 C ATOM 365 C GLU A 53 4.448 -4.991 -25.142 1.00 0.00 C ATOM 366 O GLU A 53 3.852 -4.017 -25.605 1.00 0.00 O ATOM 367 CB GLU A 53 3.065 -5.367 -23.036 1.00 0.00 C ATOM 368 CG GLU A 53 1.828 -6.114 -22.515 1.00 0.00 C ATOM 369 CD GLU A 53 0.630 -6.006 -23.481 1.00 0.00 C ATOM 370 OE1 GLU A 53 -0.069 -4.963 -23.476 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.366 -6.969 -24.240 1.00 0.00 O ATOM 0 H GLU A 53 4.979 -6.887 -22.880 1.00 0.00 H new ATOM 0 HA GLU A 53 2.934 -6.453 -24.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.808 -5.309 -22.241 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.785 -4.344 -23.285 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.077 -7.164 -22.364 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.545 -5.711 -21.543 1.00 0.00 H new ATOM 378 N GLU A 54 5.743 -5.213 -25.391 1.00 0.00 N ATOM 379 CA GLU A 54 6.671 -4.384 -26.179 1.00 0.00 C ATOM 380 C GLU A 54 7.079 -3.076 -25.457 1.00 0.00 C ATOM 381 O GLU A 54 7.109 -1.985 -26.026 1.00 0.00 O ATOM 382 CB GLU A 54 6.172 -4.219 -27.630 1.00 0.00 C ATOM 383 CG GLU A 54 7.334 -4.014 -28.609 1.00 0.00 C ATOM 384 CD GLU A 54 6.819 -3.800 -30.045 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.622 -4.800 -30.781 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.618 -2.632 -30.460 1.00 0.00 O ATOM 0 H GLU A 54 6.209 -6.041 -25.019 1.00 0.00 H new ATOM 0 HA GLU A 54 7.618 -4.917 -26.263 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.602 -5.101 -27.921 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.494 -3.368 -27.687 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.926 -3.153 -28.300 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.994 -4.881 -28.582 1.00 0.00 H new ATOM 393 N GLU A 55 7.437 -3.226 -24.177 1.00 0.00 N ATOM 394 CA GLU A 55 7.985 -2.242 -23.232 1.00 0.00 C ATOM 395 C GLU A 55 7.134 -0.968 -23.049 1.00 0.00 C ATOM 396 O GLU A 55 7.401 0.099 -23.612 1.00 0.00 O ATOM 397 CB GLU A 55 9.451 -1.921 -23.539 1.00 0.00 C ATOM 398 CG GLU A 55 10.363 -3.151 -23.657 1.00 0.00 C ATOM 399 CD GLU A 55 11.824 -2.726 -23.906 1.00 0.00 C ATOM 400 OE1 GLU A 55 12.201 -2.483 -25.079 1.00 0.00 O ATOM 401 OE2 GLU A 55 12.607 -2.628 -22.930 1.00 0.00 O ATOM 0 H GLU A 55 7.340 -4.137 -23.728 1.00 0.00 H new ATOM 0 HA GLU A 55 7.941 -2.733 -22.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.499 -1.359 -24.472 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.839 -1.271 -22.755 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.302 -3.744 -22.744 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.020 -3.787 -24.473 1.00 0.00 H new ATOM 408 N SER A 56 6.130 -1.077 -22.178 1.00 0.00 N ATOM 409 CA SER A 56 5.293 0.024 -21.672 1.00 0.00 C ATOM 410 C SER A 56 5.086 -0.138 -20.158 1.00 0.00 C ATOM 411 O SER A 56 3.983 -0.387 -19.671 1.00 0.00 O ATOM 412 CB SER A 56 3.975 0.088 -22.459 1.00 0.00 C ATOM 413 OG SER A 56 3.292 1.307 -22.202 1.00 0.00 O ATOM 0 H SER A 56 5.861 -1.978 -21.784 1.00 0.00 H new ATOM 0 HA SER A 56 5.793 0.980 -21.825 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.179 -0.002 -23.526 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.341 -0.754 -22.184 1.00 0.00 H new ATOM 0 HG SER A 56 2.457 1.328 -22.714 1.00 0.00 H new ATOM 419 N VAL A 57 6.186 -0.071 -19.399 1.00 0.00 N ATOM 420 CA VAL A 57 6.266 -0.500 -17.985 1.00 0.00 C ATOM 421 C VAL A 57 5.262 0.231 -17.084 1.00 0.00 C ATOM 422 O VAL A 57 4.598 -0.396 -16.262 1.00 0.00 O ATOM 423 CB VAL A 57 7.691 -0.330 -17.407 1.00 0.00 C ATOM 424 CG1 VAL A 57 7.859 -1.171 -16.134 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.792 -0.743 -18.392 1.00 0.00 C ATOM 0 H VAL A 57 7.071 0.291 -19.754 1.00 0.00 H new ATOM 0 HA VAL A 57 6.009 -1.559 -17.991 1.00 0.00 H new ATOM 0 HB VAL A 57 7.799 0.733 -17.193 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.867 -1.039 -15.741 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.134 -0.849 -15.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.696 -2.223 -16.369 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.768 -0.600 -17.928 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.667 -1.792 -18.659 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.725 -0.130 -19.291 1.00 0.00 H new ATOM 435 N GLY A 58 5.097 1.543 -17.274 1.00 0.00 N ATOM 436 CA GLY A 58 4.151 2.376 -16.520 1.00 0.00 C ATOM 437 C GLY A 58 2.697 1.946 -16.722 1.00 0.00 C ATOM 438 O GLY A 58 1.926 1.843 -15.770 1.00 0.00 O ATOM 0 H GLY A 58 5.627 2.068 -17.970 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.396 2.328 -15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.264 3.416 -16.826 1.00 0.00 H new ATOM 442 N SER A 59 2.325 1.622 -17.960 1.00 0.00 N ATOM 443 CA SER A 59 1.014 1.045 -18.266 1.00 0.00 C ATOM 444 C SER A 59 0.885 -0.368 -17.705 1.00 0.00 C ATOM 445 O SER A 59 -0.159 -0.701 -17.153 1.00 0.00 O ATOM 446 CB SER A 59 0.802 1.015 -19.778 1.00 0.00 C ATOM 447 OG SER A 59 -0.566 0.815 -20.100 1.00 0.00 O ATOM 0 H SER A 59 2.921 1.751 -18.778 1.00 0.00 H new ATOM 0 HA SER A 59 0.253 1.670 -17.798 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.148 1.952 -20.215 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.402 0.218 -20.216 1.00 0.00 H new ATOM 0 HG SER A 59 -0.674 0.801 -21.074 1.00 0.00 H new ATOM 453 N TYR A 60 1.942 -1.186 -17.790 1.00 0.00 N ATOM 454 CA TYR A 60 1.952 -2.553 -17.261 1.00 0.00 C ATOM 455 C TYR A 60 1.689 -2.579 -15.753 1.00 0.00 C ATOM 456 O TYR A 60 0.907 -3.400 -15.287 1.00 0.00 O ATOM 457 CB TYR A 60 3.270 -3.264 -17.595 1.00 0.00 C ATOM 458 CG TYR A 60 3.128 -4.768 -17.783 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.854 -5.610 -16.688 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.270 -5.332 -19.066 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.771 -7.005 -16.857 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.189 -6.728 -19.244 1.00 0.00 C ATOM 463 CZ TYR A 60 2.940 -7.570 -18.138 1.00 0.00 C ATOM 464 OH TYR A 60 2.854 -8.919 -18.300 1.00 0.00 O ATOM 0 H TYR A 60 2.820 -0.914 -18.232 1.00 0.00 H new ATOM 0 HA TYR A 60 1.139 -3.093 -17.746 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.684 -2.831 -18.506 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.987 -3.073 -16.796 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.706 -5.181 -15.708 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.442 -4.691 -19.918 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.578 -7.642 -16.006 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.318 -7.154 -20.228 1.00 0.00 H new ATOM 0 HH TYR A 60 2.993 -9.145 -19.243 1.00 0.00 H new ATOM 474 N ILE A 61 2.270 -1.635 -15.003 1.00 0.00 N ATOM 475 CA ILE A 61 1.987 -1.402 -13.569 1.00 0.00 C ATOM 476 C ILE A 61 0.483 -1.268 -13.375 1.00 0.00 C ATOM 477 O ILE A 61 -0.127 -2.077 -12.672 1.00 0.00 O ATOM 478 CB ILE A 61 2.738 -0.142 -13.046 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.237 -0.429 -12.855 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.172 0.453 -11.737 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.089 0.830 -12.688 1.00 0.00 C ATOM 0 H ILE A 61 2.968 -0.993 -15.379 1.00 0.00 H new ATOM 0 HA ILE A 61 2.348 -2.251 -12.989 1.00 0.00 H new ATOM 0 HB ILE A 61 2.584 0.606 -13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.367 -1.064 -11.978 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.602 -0.992 -13.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.758 1.326 -11.451 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.134 0.748 -11.890 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.224 -0.294 -10.945 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.134 0.548 -12.558 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.990 1.457 -13.574 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.751 1.384 -11.812 1.00 0.00 H new ATOM 493 N LYS A 62 -0.131 -0.269 -14.021 1.00 0.00 N ATOM 494 CA LYS A 62 -1.554 0.007 -13.817 1.00 0.00 C ATOM 495 C LYS A 62 -2.415 -1.183 -14.255 1.00 0.00 C ATOM 496 O LYS A 62 -3.278 -1.634 -13.511 1.00 0.00 O ATOM 497 CB LYS A 62 -1.955 1.319 -14.517 1.00 0.00 C ATOM 498 CG LYS A 62 -3.126 1.965 -13.753 1.00 0.00 C ATOM 499 CD LYS A 62 -3.595 3.337 -14.265 1.00 0.00 C ATOM 500 CE LYS A 62 -4.430 3.314 -15.555 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.608 3.252 -16.795 1.00 0.00 N ATOM 0 H LYS A 62 0.332 0.355 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.736 0.144 -12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.106 2.002 -14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.244 1.121 -15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.974 1.280 -13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.837 2.070 -12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.183 3.816 -13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.718 3.962 -14.432 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.100 2.454 -15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.057 4.205 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.140 3.669 -17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.725 3.784 -16.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.383 2.260 -17.013 1.00 0.00 H new ATOM 515 N ARG A 63 -2.116 -1.758 -15.421 1.00 0.00 N ATOM 516 CA ARG A 63 -2.722 -2.977 -15.983 1.00 0.00 C ATOM 517 C ARG A 63 -2.723 -4.114 -14.964 1.00 0.00 C ATOM 518 O ARG A 63 -3.745 -4.768 -14.822 1.00 0.00 O ATOM 519 CB ARG A 63 -1.979 -3.372 -17.277 1.00 0.00 C ATOM 520 CG ARG A 63 -2.541 -4.591 -18.038 1.00 0.00 C ATOM 521 CD ARG A 63 -3.446 -4.218 -19.220 1.00 0.00 C ATOM 522 NE ARG A 63 -4.738 -3.642 -18.799 1.00 0.00 N ATOM 523 CZ ARG A 63 -5.554 -2.913 -19.544 1.00 0.00 C ATOM 524 NH1 ARG A 63 -5.270 -2.589 -20.774 1.00 0.00 N ATOM 525 NH2 ARG A 63 -6.692 -2.497 -19.067 1.00 0.00 N ATOM 0 H ARG A 63 -1.404 -1.367 -16.038 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.764 -2.775 -16.229 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.984 -2.515 -17.951 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.938 -3.574 -17.026 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.710 -5.194 -18.404 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.104 -5.214 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.926 -3.502 -19.857 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.630 -5.107 -19.824 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.031 -3.824 -17.839 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.393 -2.899 -21.194 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.924 -2.026 -21.317 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.961 -2.732 -18.112 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.314 -1.936 -19.649 1.00 0.00 H new ATOM 539 N TYR A 64 -1.637 -4.330 -14.224 1.00 0.00 N ATOM 540 CA TYR A 64 -1.499 -5.431 -13.265 1.00 0.00 C ATOM 541 C TYR A 64 -2.359 -5.255 -12.007 1.00 0.00 C ATOM 542 O TYR A 64 -2.961 -6.206 -11.511 1.00 0.00 O ATOM 543 CB TYR A 64 -0.013 -5.633 -12.918 1.00 0.00 C ATOM 544 CG TYR A 64 0.372 -7.095 -12.996 1.00 0.00 C ATOM 545 CD1 TYR A 64 0.448 -7.710 -14.261 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.553 -7.861 -11.828 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.689 -9.092 -14.368 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.795 -9.246 -11.933 1.00 0.00 C ATOM 549 CZ TYR A 64 0.852 -9.866 -13.200 1.00 0.00 C ATOM 550 OH TYR A 64 1.033 -11.211 -13.287 1.00 0.00 O ATOM 0 H TYR A 64 -0.811 -3.734 -14.273 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.880 -6.332 -13.746 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.606 -5.054 -13.604 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.184 -5.255 -11.915 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.320 -7.117 -15.154 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.507 -7.390 -10.857 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.749 -9.558 -15.340 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.938 -9.836 -11.039 1.00 0.00 H new ATOM 0 HH TYR A 64 1.129 -11.587 -12.387 1.00 0.00 H new ATOM 560 N ILE A 65 -2.489 -4.009 -11.551 1.00 0.00 N ATOM 561 CA ILE A 65 -3.430 -3.569 -10.508 1.00 0.00 C ATOM 562 C ILE A 65 -4.865 -3.815 -10.975 1.00 0.00 C ATOM 563 O ILE A 65 -5.659 -4.411 -10.253 1.00 0.00 O ATOM 564 CB ILE A 65 -3.218 -2.078 -10.152 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.810 -1.756 -9.616 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.288 -1.549 -9.186 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.502 -2.285 -8.215 1.00 0.00 C ATOM 0 H ILE A 65 -1.920 -3.243 -11.910 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.243 -4.149 -9.605 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.320 -1.556 -11.103 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.074 -2.164 -10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.680 -0.674 -9.613 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.094 -0.499 -8.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.272 -1.649 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.258 -2.123 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.487 -2.003 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.207 -1.858 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.592 -3.371 -8.208 1.00 0.00 H new ATOM 579 N LEU A 66 -5.186 -3.394 -12.201 1.00 0.00 N ATOM 580 CA LEU A 66 -6.524 -3.481 -12.796 1.00 0.00 C ATOM 581 C LEU A 66 -6.914 -4.943 -13.059 1.00 0.00 C ATOM 582 O LEU A 66 -8.055 -5.340 -12.818 1.00 0.00 O ATOM 583 CB LEU A 66 -6.534 -2.639 -14.086 1.00 0.00 C ATOM 584 CG LEU A 66 -6.788 -1.121 -13.920 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.353 -0.475 -12.599 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.073 -0.372 -15.047 1.00 0.00 C ATOM 0 H LEU A 66 -4.501 -2.970 -12.827 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.269 -3.085 -12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.575 -2.771 -14.587 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.299 -3.042 -14.750 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.875 -1.038 -13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.590 0.589 -12.619 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.880 -0.949 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.279 -0.605 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.246 0.699 -14.939 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.003 -0.574 -14.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.460 -0.707 -16.009 1.00 0.00 H new ATOM 598 N LYS A 67 -5.944 -5.760 -13.480 1.00 0.00 N ATOM 599 CA LYS A 67 -6.043 -7.208 -13.674 1.00 0.00 C ATOM 600 C LYS A 67 -6.361 -7.921 -12.362 1.00 0.00 C ATOM 601 O LYS A 67 -7.280 -8.736 -12.312 1.00 0.00 O ATOM 602 CB LYS A 67 -4.733 -7.708 -14.303 1.00 0.00 C ATOM 603 CG LYS A 67 -4.793 -9.181 -14.731 1.00 0.00 C ATOM 604 CD LYS A 67 -3.483 -9.592 -15.425 1.00 0.00 C ATOM 605 CE LYS A 67 -3.472 -11.068 -15.849 1.00 0.00 C ATOM 606 NZ LYS A 67 -4.394 -11.346 -16.985 1.00 0.00 N ATOM 0 H LYS A 67 -5.015 -5.407 -13.708 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.868 -7.436 -14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.496 -7.093 -15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.921 -7.577 -13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.964 -9.813 -13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.634 -9.336 -15.407 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.330 -8.965 -16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.646 -9.406 -14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.458 -11.353 -16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.753 -11.688 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.348 -12.356 -17.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.367 -11.101 -16.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.112 -10.776 -17.808 1.00 0.00 H new ATOM 620 N ALA A 68 -5.642 -7.575 -11.293 1.00 0.00 N ATOM 621 CA ALA A 68 -5.901 -8.093 -9.949 1.00 0.00 C ATOM 622 C ALA A 68 -7.270 -7.636 -9.388 1.00 0.00 C ATOM 623 O ALA A 68 -7.973 -8.417 -8.744 1.00 0.00 O ATOM 624 CB ALA A 68 -4.722 -7.696 -9.059 1.00 0.00 C ATOM 0 H ALA A 68 -4.859 -6.923 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.977 -9.180 -9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.887 -8.069 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.803 -8.126 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.634 -6.610 -9.035 1.00 0.00 H new ATOM 630 N LEU A 69 -7.702 -6.407 -9.706 1.00 0.00 N ATOM 631 CA LEU A 69 -8.974 -5.791 -9.292 1.00 0.00 C ATOM 632 C LEU A 69 -10.211 -6.551 -9.776 1.00 0.00 C ATOM 633 O LEU A 69 -11.265 -6.477 -9.141 1.00 0.00 O ATOM 634 CB LEU A 69 -9.019 -4.325 -9.783 1.00 0.00 C ATOM 635 CG LEU A 69 -9.223 -3.275 -8.681 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.015 -3.172 -7.751 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.424 -1.897 -9.311 1.00 0.00 C ATOM 0 H LEU A 69 -7.145 -5.782 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.005 -5.830 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.088 -4.104 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.824 -4.226 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.095 -3.589 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.206 -2.417 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.841 -4.136 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.134 -2.890 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.568 -1.155 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.545 -1.635 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.302 -1.917 -9.957 1.00 0.00 H new ATOM 649 N ARG A 70 -10.074 -7.322 -10.860 1.00 0.00 N ATOM 650 CA ARG A 70 -11.119 -8.221 -11.367 1.00 0.00 C ATOM 651 C ARG A 70 -11.577 -9.260 -10.333 1.00 0.00 C ATOM 652 O ARG A 70 -12.750 -9.638 -10.335 1.00 0.00 O ATOM 653 CB ARG A 70 -10.672 -8.936 -12.654 1.00 0.00 C ATOM 654 CG ARG A 70 -10.398 -7.971 -13.820 1.00 0.00 C ATOM 655 CD ARG A 70 -10.068 -8.720 -15.117 1.00 0.00 C ATOM 656 NE ARG A 70 -11.236 -9.460 -15.642 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.242 -10.410 -16.561 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.153 -10.806 -17.158 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.357 -10.989 -16.903 1.00 0.00 N ATOM 0 H ARG A 70 -9.221 -7.340 -11.419 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.972 -7.579 -11.588 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.770 -9.511 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.442 -9.647 -12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.270 -7.337 -13.979 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.569 -7.313 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.722 -8.010 -15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.249 -9.416 -14.935 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.143 -9.208 -15.249 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.257 -10.380 -16.921 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.197 -11.542 -17.863 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.233 -10.710 -16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.354 -11.721 -17.613 1.00 0.00 H new ATOM 673 N LYS A 71 -10.661 -9.734 -9.474 1.00 0.00 N ATOM 674 CA LYS A 71 -10.883 -10.836 -8.517 1.00 0.00 C ATOM 675 C LYS A 71 -9.961 -10.744 -7.280 1.00 0.00 C ATOM 676 O LYS A 71 -9.221 -11.679 -6.969 1.00 0.00 O ATOM 677 CB LYS A 71 -10.808 -12.176 -9.285 1.00 0.00 C ATOM 678 CG LYS A 71 -11.848 -13.222 -8.845 1.00 0.00 C ATOM 679 CD LYS A 71 -11.590 -13.818 -7.457 1.00 0.00 C ATOM 680 CE LYS A 71 -12.666 -14.858 -7.122 1.00 0.00 C ATOM 681 NZ LYS A 71 -12.369 -15.537 -5.838 1.00 0.00 N ATOM 0 H LYS A 71 -9.717 -9.352 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.881 -10.760 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.938 -11.978 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.811 -12.598 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.836 -12.761 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.867 -14.029 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.604 -14.282 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.592 -13.027 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.640 -14.372 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.725 -15.596 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.112 -16.236 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.450 -16.019 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.336 -14.834 -5.073 1.00 0.00 H new ATOM 695 N ILE A 72 -10.011 -9.613 -6.565 1.00 0.00 N ATOM 696 CA ILE A 72 -9.206 -9.325 -5.361 1.00 0.00 C ATOM 697 C ILE A 72 -9.290 -10.433 -4.290 1.00 0.00 C ATOM 698 O ILE A 72 -8.262 -10.940 -3.836 1.00 0.00 O ATOM 699 CB ILE A 72 -9.616 -7.960 -4.752 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.725 -6.887 -5.854 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.627 -7.560 -3.635 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.736 -5.430 -5.391 1.00 0.00 C ATOM 0 H ILE A 72 -10.633 -8.844 -6.814 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.167 -9.286 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.603 -8.048 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.890 -7.020 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.638 -7.072 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.923 -6.600 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.636 -8.318 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.622 -7.479 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.816 -4.773 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.587 -5.265 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.813 -5.212 -4.855 1.00 0.00 H new ATOM 714 N GLU A 73 -10.512 -10.777 -3.860 1.00 0.00 N ATOM 715 CA GLU A 73 -10.812 -11.727 -2.768 1.00 0.00 C ATOM 716 C GLU A 73 -10.733 -13.203 -3.211 1.00 0.00 C ATOM 717 O GLU A 73 -9.788 -13.908 -2.791 1.00 0.00 O ATOM 718 CB GLU A 73 -12.190 -11.376 -2.171 1.00 0.00 C ATOM 719 CG GLU A 73 -12.558 -12.174 -0.907 1.00 0.00 C ATOM 720 CD GLU A 73 -11.690 -11.794 0.316 1.00 0.00 C ATOM 721 OE1 GLU A 73 -11.908 -10.709 0.911 1.00 0.00 O ATOM 722 OE2 GLU A 73 -10.802 -12.588 0.718 1.00 0.00 O ATOM 0 H GLU A 73 -11.357 -10.387 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.044 -11.623 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.209 -10.313 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.955 -11.546 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.608 -12.004 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.446 -13.239 -1.110 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.201 6.916 -6.398 1.00 0.00 N ATOM 731 CA THR B 31 15.103 5.942 -6.543 1.00 0.00 C ATOM 732 C THR B 31 14.453 6.033 -7.931 1.00 0.00 C ATOM 733 O THR B 31 14.797 6.904 -8.739 1.00 0.00 O ATOM 734 CB THR B 31 14.084 6.146 -5.408 1.00 0.00 C ATOM 735 OG1 THR B 31 13.100 5.138 -5.393 1.00 0.00 O ATOM 736 CG2 THR B 31 13.374 7.502 -5.438 1.00 0.00 C ATOM 0 HA THR B 31 15.507 4.933 -6.462 1.00 0.00 H new ATOM 0 HB THR B 31 14.690 6.100 -4.503 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.678 5.105 -4.509 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.674 7.564 -4.605 1.00 0.00 H new ATOM 0 HG22 THR B 31 14.111 8.301 -5.353 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.831 7.608 -6.377 1.00 0.00 H new ATOM 744 N ARG B 32 13.529 5.117 -8.226 1.00 0.00 N ATOM 745 CA ARG B 32 12.734 5.058 -9.458 1.00 0.00 C ATOM 746 C ARG B 32 11.587 6.082 -9.435 1.00 0.00 C ATOM 747 O ARG B 32 11.302 6.699 -8.408 1.00 0.00 O ATOM 748 CB ARG B 32 12.231 3.610 -9.635 1.00 0.00 C ATOM 749 CG ARG B 32 12.150 3.107 -11.080 1.00 0.00 C ATOM 750 CD ARG B 32 13.522 2.928 -11.746 1.00 0.00 C ATOM 751 NE ARG B 32 13.985 4.139 -12.454 1.00 0.00 N ATOM 752 CZ ARG B 32 15.187 4.351 -12.960 1.00 0.00 C ATOM 753 NH1 ARG B 32 16.156 3.486 -12.840 1.00 0.00 N ATOM 754 NH2 ARG B 32 15.442 5.451 -13.609 1.00 0.00 N ATOM 0 H ARG B 32 13.302 4.359 -7.583 1.00 0.00 H new ATOM 0 HA ARG B 32 13.349 5.328 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.889 2.945 -9.075 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.241 3.531 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG B 32 11.621 2.154 -11.095 1.00 0.00 H new ATOM 0 HG3 ARG B 32 11.559 3.809 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.255 2.656 -10.987 1.00 0.00 H new ATOM 0 HD3 ARG B 32 13.471 2.099 -12.452 1.00 0.00 H new ATOM 0 HE ARG B 32 13.305 4.891 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG B 32 15.999 2.610 -12.342 1.00 0.00 H new ATOM 0 HH12 ARG B 32 17.071 3.686 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG B 32 14.712 6.154 -13.729 1.00 0.00 H new ATOM 0 HH22 ARG B 32 16.372 5.610 -13.998 1.00 0.00 H new ATOM 768 N ALA B 33 10.912 6.239 -10.569 1.00 0.00 N ATOM 769 CA ALA B 33 9.808 7.177 -10.780 1.00 0.00 C ATOM 770 C ALA B 33 8.612 6.465 -11.433 1.00 0.00 C ATOM 771 O ALA B 33 8.721 5.920 -12.534 1.00 0.00 O ATOM 772 CB ALA B 33 10.320 8.356 -11.616 1.00 0.00 C ATOM 0 H ALA B 33 11.126 5.694 -11.404 1.00 0.00 H new ATOM 0 HA ALA B 33 9.450 7.564 -9.826 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.508 9.064 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.132 8.853 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.684 7.990 -12.576 1.00 0.00 H new ATOM 778 N VAL B 34 7.474 6.456 -10.737 1.00 0.00 N ATOM 779 CA VAL B 34 6.217 5.807 -11.118 1.00 0.00 C ATOM 780 C VAL B 34 5.101 6.824 -10.961 1.00 0.00 C ATOM 781 O VAL B 34 4.678 7.117 -9.851 1.00 0.00 O ATOM 782 CB VAL B 34 5.979 4.520 -10.306 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.622 3.880 -10.610 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.065 3.488 -10.642 1.00 0.00 C ATOM 0 H VAL B 34 7.400 6.930 -9.837 1.00 0.00 H new ATOM 0 HA VAL B 34 6.254 5.483 -12.158 1.00 0.00 H new ATOM 0 HB VAL B 34 6.006 4.804 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.504 2.976 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL B 34 3.825 4.583 -10.367 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.569 3.624 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL B 34 6.894 2.579 -10.066 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.029 3.255 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.044 3.896 -10.393 1.00 0.00 H new ATOM 794 N SER B 35 4.684 7.413 -12.078 1.00 0.00 N ATOM 795 CA SER B 35 3.702 8.499 -12.161 1.00 0.00 C ATOM 796 C SER B 35 2.515 8.099 -13.038 1.00 0.00 C ATOM 797 O SER B 35 2.592 8.102 -14.269 1.00 0.00 O ATOM 798 CB SER B 35 4.362 9.795 -12.618 1.00 0.00 C ATOM 799 OG SER B 35 3.448 10.879 -12.586 1.00 0.00 O ATOM 0 H SER B 35 5.036 7.136 -12.995 1.00 0.00 H new ATOM 0 HA SER B 35 3.304 8.685 -11.164 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.215 10.017 -11.977 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.748 9.672 -13.630 1.00 0.00 H new ATOM 0 HG SER B 35 3.900 11.697 -12.883 1.00 0.00 H new ATOM 805 N LEU B 36 1.439 7.684 -12.369 1.00 0.00 N ATOM 806 CA LEU B 36 0.221 7.110 -12.954 1.00 0.00 C ATOM 807 C LEU B 36 -1.055 7.915 -12.633 1.00 0.00 C ATOM 808 O LEU B 36 -1.035 8.920 -11.917 1.00 0.00 O ATOM 809 CB LEU B 36 0.100 5.613 -12.556 1.00 0.00 C ATOM 810 CG LEU B 36 0.720 4.579 -13.518 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.278 4.779 -14.971 1.00 0.00 C ATOM 812 CD2 LEU B 36 2.244 4.554 -13.447 1.00 0.00 C ATOM 0 H LEU B 36 1.388 7.741 -11.352 1.00 0.00 H new ATOM 0 HA LEU B 36 0.316 7.174 -14.038 1.00 0.00 H new ATOM 0 HB2 LEU B 36 0.562 5.485 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.958 5.377 -12.442 1.00 0.00 H new ATOM 0 HG LEU B 36 0.341 3.616 -13.176 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.746 4.023 -15.601 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -0.806 4.687 -15.038 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.579 5.770 -15.310 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.629 3.809 -14.144 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.637 5.536 -13.712 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.557 4.299 -12.434 1.00 0.00 H new ATOM 824 N TYR B 37 -2.163 7.462 -13.229 1.00 0.00 N ATOM 825 CA TYR B 37 -3.446 8.148 -13.386 1.00 0.00 C ATOM 826 C TYR B 37 -4.586 7.119 -13.278 1.00 0.00 C ATOM 827 O TYR B 37 -4.945 6.473 -14.266 1.00 0.00 O ATOM 828 CB TYR B 37 -3.434 8.860 -14.750 1.00 0.00 C ATOM 829 CG TYR B 37 -2.338 9.903 -14.864 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.499 11.161 -14.255 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.124 9.581 -15.500 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.456 12.105 -14.293 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.067 10.509 -15.512 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.232 11.780 -14.916 1.00 0.00 C ATOM 835 OH TYR B 37 0.780 12.692 -14.936 1.00 0.00 O ATOM 0 H TYR B 37 -2.185 6.532 -13.647 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.605 8.891 -12.605 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.307 8.119 -15.539 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.400 9.337 -14.913 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.426 11.403 -13.757 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -1.004 8.621 -15.979 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.592 13.078 -13.845 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.872 10.250 -15.978 1.00 0.00 H new ATOM 0 HH TYR B 37 1.554 12.312 -15.402 1.00 0.00 H new ATOM 845 N PHE B 38 -5.113 6.902 -12.069 1.00 0.00 N ATOM 846 CA PHE B 38 -6.274 6.046 -11.833 1.00 0.00 C ATOM 847 C PHE B 38 -7.578 6.772 -12.188 1.00 0.00 C ATOM 848 O PHE B 38 -7.593 7.993 -12.356 1.00 0.00 O ATOM 849 CB PHE B 38 -6.300 5.663 -10.347 1.00 0.00 C ATOM 850 CG PHE B 38 -5.428 4.482 -9.951 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.583 3.225 -10.569 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.481 4.627 -8.926 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.779 2.137 -10.181 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.627 3.563 -8.592 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.772 2.317 -9.218 1.00 0.00 C ATOM 0 H PHE B 38 -4.739 7.322 -11.218 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.194 5.160 -12.463 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.991 6.530 -9.763 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.330 5.440 -10.067 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.323 3.096 -11.345 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -4.408 5.562 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.936 1.164 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.855 3.705 -7.850 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.113 1.500 -8.961 1.00 0.00 H new ATOM 865 N SER B 39 -8.688 6.031 -12.208 1.00 0.00 N ATOM 866 CA SER B 39 -10.044 6.589 -12.165 1.00 0.00 C ATOM 867 C SER B 39 -10.720 6.333 -10.822 1.00 0.00 C ATOM 868 O SER B 39 -10.230 5.550 -10.010 1.00 0.00 O ATOM 869 CB SER B 39 -10.891 6.048 -13.328 1.00 0.00 C ATOM 870 OG SER B 39 -10.326 6.398 -14.580 1.00 0.00 O ATOM 0 H SER B 39 -8.671 5.012 -12.255 1.00 0.00 H new ATOM 0 HA SER B 39 -9.960 7.670 -12.279 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.968 4.963 -13.251 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.904 6.445 -13.259 1.00 0.00 H new ATOM 0 HG SER B 39 -10.884 6.040 -15.302 1.00 0.00 H new ATOM 876 N ASP B 40 -11.851 6.999 -10.580 1.00 0.00 N ATOM 877 CA ASP B 40 -12.545 7.012 -9.288 1.00 0.00 C ATOM 878 C ASP B 40 -12.817 5.601 -8.748 1.00 0.00 C ATOM 879 O ASP B 40 -12.542 5.330 -7.583 1.00 0.00 O ATOM 880 CB ASP B 40 -13.853 7.809 -9.402 1.00 0.00 C ATOM 881 CG ASP B 40 -13.600 9.297 -9.697 1.00 0.00 C ATOM 882 OD1 ASP B 40 -13.439 10.088 -8.737 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.564 9.677 -10.893 1.00 0.00 O ATOM 0 H ASP B 40 -12.321 7.557 -11.292 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.884 7.499 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.469 7.383 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.417 7.715 -8.474 1.00 0.00 H new ATOM 888 N GLU B 41 -13.332 4.686 -9.572 1.00 0.00 N ATOM 889 CA GLU B 41 -13.587 3.285 -9.201 1.00 0.00 C ATOM 890 C GLU B 41 -12.302 2.555 -8.792 1.00 0.00 C ATOM 891 O GLU B 41 -12.211 2.006 -7.695 1.00 0.00 O ATOM 892 CB GLU B 41 -14.239 2.563 -10.389 1.00 0.00 C ATOM 893 CG GLU B 41 -15.622 3.119 -10.749 1.00 0.00 C ATOM 894 CD GLU B 41 -16.759 2.352 -10.046 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.865 2.427 -8.797 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.558 1.673 -10.737 1.00 0.00 O ATOM 0 H GLU B 41 -13.590 4.898 -10.536 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.254 3.278 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.585 2.643 -11.258 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.331 1.502 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.671 4.172 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.763 3.066 -11.828 1.00 0.00 H new ATOM 903 N GLN B 42 -11.297 2.582 -9.672 1.00 0.00 N ATOM 904 CA GLN B 42 -9.969 1.982 -9.487 1.00 0.00 C ATOM 905 C GLN B 42 -9.308 2.456 -8.184 1.00 0.00 C ATOM 906 O GLN B 42 -8.800 1.645 -7.405 1.00 0.00 O ATOM 907 CB GLN B 42 -9.077 2.310 -10.695 1.00 0.00 C ATOM 908 CG GLN B 42 -9.655 1.840 -12.045 1.00 0.00 C ATOM 909 CD GLN B 42 -8.860 2.344 -13.249 1.00 0.00 C ATOM 910 OE1 GLN B 42 -8.093 3.295 -13.186 1.00 0.00 O ATOM 911 NE2 GLN B 42 -9.037 1.749 -14.409 1.00 0.00 N ATOM 0 H GLN B 42 -11.390 3.044 -10.576 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.093 0.902 -9.413 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.918 3.388 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.100 1.849 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -9.678 0.750 -12.063 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.686 2.182 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -9.672 0.954 -14.483 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -8.539 2.082 -15.234 1.00 0.00 H new ATOM 920 N TYR B 43 -9.357 3.765 -7.918 1.00 0.00 N ATOM 921 CA TYR B 43 -8.789 4.361 -6.711 1.00 0.00 C ATOM 922 C TYR B 43 -9.583 3.987 -5.454 1.00 0.00 C ATOM 923 O TYR B 43 -8.996 3.633 -4.435 1.00 0.00 O ATOM 924 CB TYR B 43 -8.714 5.882 -6.882 1.00 0.00 C ATOM 925 CG TYR B 43 -7.773 6.544 -5.895 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.386 6.333 -6.025 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.265 7.384 -4.876 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.484 6.981 -5.160 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.365 8.026 -4.002 1.00 0.00 C ATOM 930 CZ TYR B 43 -5.975 7.830 -4.146 1.00 0.00 C ATOM 931 OH TYR B 43 -5.108 8.495 -3.336 1.00 0.00 O ATOM 0 H TYR B 43 -9.796 4.443 -8.541 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.784 3.962 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.388 6.112 -7.896 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.712 6.305 -6.764 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.013 5.671 -6.792 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.329 7.535 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.421 6.829 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -7.740 8.670 -3.220 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.611 9.037 -2.693 1.00 0.00 H new ATOM 941 N GLN B 44 -10.917 4.005 -5.528 1.00 0.00 N ATOM 942 CA GLN B 44 -11.816 3.654 -4.422 1.00 0.00 C ATOM 943 C GLN B 44 -11.688 2.188 -4.007 1.00 0.00 C ATOM 944 O GLN B 44 -11.725 1.876 -2.819 1.00 0.00 O ATOM 945 CB GLN B 44 -13.274 3.937 -4.795 1.00 0.00 C ATOM 946 CG GLN B 44 -13.653 5.411 -4.581 1.00 0.00 C ATOM 947 CD GLN B 44 -15.035 5.717 -5.149 1.00 0.00 C ATOM 948 OE1 GLN B 44 -16.008 5.936 -4.438 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.168 5.733 -6.458 1.00 0.00 N ATOM 0 H GLN B 44 -11.415 4.270 -6.378 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.518 4.276 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.439 3.669 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.930 3.305 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.636 5.642 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.912 6.052 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.361 5.551 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.078 5.927 -6.876 1.00 0.00 H new ATOM 958 N LYS B 45 -11.506 1.283 -4.974 1.00 0.00 N ATOM 959 CA LYS B 45 -11.199 -0.126 -4.745 1.00 0.00 C ATOM 960 C LYS B 45 -9.911 -0.264 -3.929 1.00 0.00 C ATOM 961 O LYS B 45 -9.919 -0.933 -2.896 1.00 0.00 O ATOM 962 CB LYS B 45 -11.106 -0.855 -6.095 1.00 0.00 C ATOM 963 CG LYS B 45 -12.307 -1.755 -6.448 1.00 0.00 C ATOM 964 CD LYS B 45 -13.419 -1.065 -7.259 1.00 0.00 C ATOM 965 CE LYS B 45 -14.284 -0.069 -6.474 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.211 -0.749 -5.529 1.00 0.00 N ATOM 0 H LYS B 45 -11.571 1.521 -5.964 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.998 -0.589 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -10.988 -0.111 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.203 -1.466 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.945 -2.614 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.737 -2.140 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.962 -0.541 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.069 -1.833 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.638 0.612 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.861 0.537 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.774 -0.037 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.846 -1.379 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.661 -1.307 -4.845 1.00 0.00 H new ATOM 980 N LEU B 46 -8.828 0.410 -4.342 1.00 0.00 N ATOM 981 CA LEU B 46 -7.564 0.349 -3.601 1.00 0.00 C ATOM 982 C LEU B 46 -7.623 1.068 -2.246 1.00 0.00 C ATOM 983 O LEU B 46 -6.978 0.649 -1.292 1.00 0.00 O ATOM 984 CB LEU B 46 -6.367 0.803 -4.462 1.00 0.00 C ATOM 985 CG LEU B 46 -5.501 -0.423 -4.804 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.392 -0.120 -5.807 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.770 -0.993 -3.582 1.00 0.00 C ATOM 0 H LEU B 46 -8.803 0.997 -5.176 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.401 -0.703 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.720 1.281 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.775 1.543 -3.923 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.225 -1.128 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.821 -1.027 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.831 0.240 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -3.731 0.644 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.175 -1.855 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.115 -0.230 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.499 -1.299 -2.832 1.00 0.00 H new ATOM 999 N GLU B 47 -8.453 2.098 -2.119 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.762 2.757 -0.846 1.00 0.00 C ATOM 1001 C GLU B 47 -9.529 1.847 0.126 1.00 0.00 C ATOM 1002 O GLU B 47 -9.202 1.795 1.315 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.497 4.079 -1.109 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.573 4.957 0.143 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.361 6.253 -0.132 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.615 6.222 -0.105 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.733 7.314 -0.369 1.00 0.00 O ATOM 0 H GLU B 47 -8.943 2.510 -2.913 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.819 2.979 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.987 4.625 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.506 3.868 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.050 4.402 0.951 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.566 5.205 0.478 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.505 1.074 -0.367 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.259 0.105 0.437 1.00 0.00 C ATOM 1016 C LYS B 48 -10.359 -1.010 0.984 1.00 0.00 C ATOM 1017 O LYS B 48 -10.519 -1.427 2.130 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.459 -0.430 -0.366 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.353 -1.337 0.500 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.704 -1.678 -0.145 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.651 -0.469 -0.151 1.00 0.00 C ATOM 1022 NZ LYS B 48 -17.023 -0.848 -0.581 1.00 0.00 N ATOM 0 H LYS B 48 -10.796 1.104 -1.344 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.655 0.615 1.315 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.046 0.406 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.101 -0.988 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.818 -2.263 0.711 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.532 -0.847 1.457 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.543 -2.020 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.169 -2.502 0.397 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.690 -0.032 0.847 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.259 0.297 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.634 -0.007 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.989 -1.242 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -17.407 -1.561 0.072 1.00 0.00 H new ATOM 1036 N MET B 49 -9.366 -1.439 0.202 1.00 0.00 N ATOM 1037 CA MET B 49 -8.296 -2.335 0.609 1.00 0.00 C ATOM 1038 C MET B 49 -7.357 -1.668 1.627 1.00 0.00 C ATOM 1039 O MET B 49 -7.048 -2.250 2.666 1.00 0.00 O ATOM 1040 CB MET B 49 -7.528 -2.697 -0.660 1.00 0.00 C ATOM 1041 CG MET B 49 -8.307 -3.554 -1.663 1.00 0.00 C ATOM 1042 SD MET B 49 -7.561 -3.563 -3.314 1.00 0.00 S ATOM 1043 CE MET B 49 -5.929 -4.228 -2.918 1.00 0.00 C ATOM 0 H MET B 49 -9.288 -1.155 -0.775 1.00 0.00 H new ATOM 0 HA MET B 49 -8.707 -3.219 1.097 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.218 -1.777 -1.155 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.619 -3.229 -0.378 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.365 -4.577 -1.291 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.329 -3.182 -1.734 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.449 -4.582 -3.830 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.318 -3.447 -2.466 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.034 -5.057 -2.218 1.00 0.00 H new ATOM 1053 N ALA B 50 -6.937 -0.427 1.365 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.056 0.364 2.222 1.00 0.00 C ATOM 1055 C ALA B 50 -6.619 0.625 3.616 1.00 0.00 C ATOM 1056 O ALA B 50 -5.830 0.746 4.545 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.682 1.664 1.511 1.00 0.00 C ATOM 0 H ALA B 50 -7.213 0.071 0.518 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.158 -0.230 2.393 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.025 2.253 2.151 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.168 1.433 0.578 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.586 2.234 1.296 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.937 0.640 3.816 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.543 0.691 5.148 1.00 0.00 C ATOM 1065 C ASN B 51 -8.134 -0.499 6.046 1.00 0.00 C ATOM 1066 O ASN B 51 -8.049 -0.344 7.263 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.062 0.801 4.970 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.793 0.973 6.293 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.745 2.021 6.923 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.504 -0.034 6.750 1.00 0.00 N ATOM 0 H ASN B 51 -8.617 0.617 3.056 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.170 1.567 5.679 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.288 1.647 4.321 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.431 -0.093 4.468 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.014 0.059 7.628 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.545 -0.908 6.226 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.794 -1.657 5.469 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.234 -2.807 6.190 1.00 0.00 C ATOM 1079 C GLU B 52 -5.773 -2.573 6.636 1.00 0.00 C ATOM 1080 O GLU B 52 -5.341 -3.070 7.677 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.357 -4.073 5.322 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.192 -5.362 6.138 1.00 0.00 C ATOM 1083 CD GLU B 52 -7.476 -6.608 5.278 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -8.650 -7.050 5.210 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -6.526 -7.167 4.676 1.00 0.00 O ATOM 0 H GLU B 52 -7.902 -1.825 4.469 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.812 -2.941 7.104 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.330 -4.080 4.831 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.603 -4.045 4.536 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -6.179 -5.416 6.537 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.870 -5.344 6.991 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.027 -1.756 5.885 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.706 -1.200 6.232 1.00 0.00 C ATOM 1094 C GLU B 53 -3.819 0.148 6.991 1.00 0.00 C ATOM 1095 O GLU B 53 -2.818 0.809 7.269 1.00 0.00 O ATOM 1096 CB GLU B 53 -2.874 -1.095 4.942 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.359 -0.978 5.165 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.590 -1.185 3.848 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.577 -0.264 2.999 1.00 0.00 O ATOM 1100 OE2 GLU B 53 0.016 -2.268 3.668 1.00 0.00 O ATOM 0 H GLU B 53 -5.343 -1.445 4.966 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.197 -1.867 6.928 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.070 -1.973 4.326 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.213 -0.227 4.377 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.123 0.003 5.578 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.038 -1.718 5.898 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.042 0.550 7.362 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.399 1.751 8.116 1.00 0.00 C ATOM 1109 C GLU B 54 -5.173 3.066 7.337 1.00 0.00 C ATOM 1110 O GLU B 54 -4.663 4.062 7.849 1.00 0.00 O ATOM 1111 CB GLU B 54 -4.777 1.670 9.512 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.643 2.350 10.564 1.00 0.00 C ATOM 1113 CD GLU B 54 -7.027 1.698 10.767 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -7.106 0.597 11.366 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -8.048 2.303 10.360 1.00 0.00 O ATOM 0 H GLU B 54 -5.867 -0.000 7.123 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.479 1.782 8.262 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -4.631 0.624 9.783 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.792 2.136 9.497 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -5.110 2.346 11.515 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -5.784 3.393 10.282 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.613 3.044 6.074 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.577 4.092 5.048 1.00 0.00 C ATOM 1124 C GLU B 55 -4.158 4.608 4.743 1.00 0.00 C ATOM 1125 O GLU B 55 -3.720 5.669 5.197 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.571 5.219 5.345 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.010 4.741 5.593 1.00 0.00 C ATOM 1128 CD GLU B 55 -8.949 5.943 5.816 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.068 6.425 6.970 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.578 6.419 4.839 1.00 0.00 O ATOM 0 H GLU B 55 -6.051 2.199 5.706 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.906 3.618 4.123 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.227 5.770 6.220 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.571 5.918 4.508 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.356 4.155 4.742 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.036 4.085 6.463 1.00 0.00 H new ATOM 1137 N SER B 56 -3.451 3.837 3.918 1.00 0.00 N ATOM 1138 CA SER B 56 -2.074 4.073 3.462 1.00 0.00 C ATOM 1139 C SER B 56 -1.941 3.787 1.957 1.00 0.00 C ATOM 1140 O SER B 56 -0.998 3.136 1.502 1.00 0.00 O ATOM 1141 CB SER B 56 -1.111 3.246 4.330 1.00 0.00 C ATOM 1142 OG SER B 56 0.229 3.675 4.151 1.00 0.00 O ATOM 0 H SER B 56 -3.843 2.981 3.525 1.00 0.00 H new ATOM 0 HA SER B 56 -1.808 5.123 3.585 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.390 3.340 5.380 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.197 2.191 4.071 1.00 0.00 H new ATOM 0 HG SER B 56 0.452 3.663 3.197 1.00 0.00 H new ATOM 1148 N VAL B 57 -2.922 4.257 1.172 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.144 3.923 -0.252 1.00 0.00 C ATOM 1150 C VAL B 57 -1.884 3.948 -1.119 1.00 0.00 C ATOM 1151 O VAL B 57 -1.682 3.028 -1.903 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.213 4.813 -0.935 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.613 4.220 -0.813 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.264 6.245 -0.389 1.00 0.00 C ATOM 0 H VAL B 57 -3.619 4.913 1.526 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.502 2.895 -0.195 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.902 4.848 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.330 4.876 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.635 3.238 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.876 4.121 0.240 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.035 6.808 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.495 6.220 0.676 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.298 6.726 -0.539 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.020 4.956 -0.969 1.00 0.00 N ATOM 1165 CA GLY B 58 0.224 5.101 -1.740 1.00 0.00 C ATOM 1166 C GLY B 58 1.132 3.876 -1.619 1.00 0.00 C ATOM 1167 O GLY B 58 1.628 3.342 -2.613 1.00 0.00 O ATOM 0 H GLY B 58 -1.166 5.709 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.020 5.267 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.762 5.984 -1.394 1.00 0.00 H new ATOM 1171 N SER B 59 1.293 3.385 -0.390 1.00 0.00 N ATOM 1172 CA SER B 59 1.984 2.131 -0.106 1.00 0.00 C ATOM 1173 C SER B 59 1.201 0.935 -0.628 1.00 0.00 C ATOM 1174 O SER B 59 1.792 0.085 -1.286 1.00 0.00 O ATOM 1175 CB SER B 59 2.201 1.974 1.396 1.00 0.00 C ATOM 1176 OG SER B 59 3.146 0.951 1.659 1.00 0.00 O ATOM 0 H SER B 59 0.942 3.854 0.445 1.00 0.00 H new ATOM 0 HA SER B 59 2.947 2.165 -0.615 1.00 0.00 H new ATOM 0 HB2 SER B 59 2.550 2.916 1.819 1.00 0.00 H new ATOM 0 HB3 SER B 59 1.255 1.737 1.883 1.00 0.00 H new ATOM 0 HG SER B 59 3.274 0.865 2.627 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.119 0.873 -0.419 1.00 0.00 N ATOM 1183 CA TYR B 60 -0.909 -0.281 -0.869 1.00 0.00 C ATOM 1184 C TYR B 60 -0.831 -0.481 -2.389 1.00 0.00 C ATOM 1185 O TYR B 60 -0.665 -1.603 -2.858 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.368 -0.192 -0.401 1.00 0.00 C ATOM 1187 CG TYR B 60 -2.947 -1.550 -0.015 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.078 -2.580 -0.971 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.301 -1.810 1.322 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.535 -3.857 -0.591 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.814 -3.067 1.698 1.00 0.00 C ATOM 1192 CZ TYR B 60 -3.926 -4.098 0.741 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.404 -5.324 1.091 1.00 0.00 O ATOM 0 H TYR B 60 -0.659 1.599 0.053 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.463 -1.159 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.430 0.481 0.454 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -2.974 0.244 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -2.826 -2.387 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.178 -1.038 2.067 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -3.586 -4.652 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.122 -3.242 2.718 1.00 0.00 H new ATOM 0 HH TYR B 60 -4.628 -5.328 2.045 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.867 0.605 -3.162 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.734 0.601 -4.631 1.00 0.00 C ATOM 1205 C ILE B 61 0.581 -0.057 -5.039 1.00 0.00 C ATOM 1206 O ILE B 61 0.594 -0.920 -5.917 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.824 2.042 -5.207 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.216 2.691 -5.030 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.465 2.095 -6.707 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.162 4.220 -4.978 1.00 0.00 C ATOM 0 H ILE B 61 -0.993 1.542 -2.779 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.560 0.024 -5.046 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.096 2.607 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.861 2.384 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.671 2.318 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.542 3.122 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.555 1.737 -6.850 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.153 1.463 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.170 4.616 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.542 4.534 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.736 4.601 -5.906 1.00 0.00 H new ATOM 1222 N LYS B 62 1.680 0.301 -4.366 1.00 0.00 N ATOM 1223 CA LYS B 62 2.963 -0.376 -4.535 1.00 0.00 C ATOM 1224 C LYS B 62 2.847 -1.845 -4.109 1.00 0.00 C ATOM 1225 O LYS B 62 2.990 -2.745 -4.934 1.00 0.00 O ATOM 1226 CB LYS B 62 4.033 0.411 -3.757 1.00 0.00 C ATOM 1227 CG LYS B 62 5.454 0.074 -4.236 1.00 0.00 C ATOM 1228 CD LYS B 62 6.561 0.589 -3.303 1.00 0.00 C ATOM 1229 CE LYS B 62 6.485 2.105 -3.079 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.655 2.603 -2.306 1.00 0.00 N ATOM 0 H LYS B 62 1.702 1.066 -3.692 1.00 0.00 H new ATOM 0 HA LYS B 62 3.265 -0.396 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.854 1.480 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.946 0.188 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.548 -1.008 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.603 0.497 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.488 0.079 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.534 0.336 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.441 2.614 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.566 2.349 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.366 3.414 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.013 1.844 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.405 2.899 -2.963 1.00 0.00 H new ATOM 1244 N ARG B 63 2.534 -2.097 -2.833 1.00 0.00 N ATOM 1245 CA ARG B 63 2.485 -3.414 -2.176 1.00 0.00 C ATOM 1246 C ARG B 63 1.602 -4.432 -2.886 1.00 0.00 C ATOM 1247 O ARG B 63 1.934 -5.609 -2.843 1.00 0.00 O ATOM 1248 CB ARG B 63 2.059 -3.298 -0.701 1.00 0.00 C ATOM 1249 CG ARG B 63 3.132 -2.652 0.194 1.00 0.00 C ATOM 1250 CD ARG B 63 2.812 -2.856 1.680 1.00 0.00 C ATOM 1251 NE ARG B 63 3.090 -4.248 2.098 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.319 -5.076 2.782 1.00 0.00 C ATOM 1253 NH1 ARG B 63 1.169 -4.736 3.284 1.00 0.00 N ATOM 1254 NH2 ARG B 63 2.706 -6.306 2.980 1.00 0.00 N ATOM 0 H ARG B 63 2.293 -1.343 -2.190 1.00 0.00 H new ATOM 0 HA ARG B 63 3.507 -3.788 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.143 -2.710 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG B 63 1.827 -4.292 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG B 63 4.107 -3.084 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG B 63 3.197 -1.586 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG B 63 3.405 -2.167 2.281 1.00 0.00 H new ATOM 0 HD3 ARG B 63 1.764 -2.620 1.865 1.00 0.00 H new ATOM 0 HE ARG B 63 3.999 -4.619 1.821 1.00 0.00 H new ATOM 0 HH11 ARG B 63 0.818 -3.786 3.159 1.00 0.00 H new ATOM 0 HH12 ARG B 63 0.617 -5.419 3.803 1.00 0.00 H new ATOM 0 HH21 ARG B 63 3.600 -6.625 2.608 1.00 0.00 H new ATOM 0 HH22 ARG B 63 2.114 -6.948 3.507 1.00 0.00 H new ATOM 1268 N TYR B 64 0.546 -4.029 -3.590 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.330 -4.958 -4.314 1.00 0.00 C ATOM 1270 C TYR B 64 0.400 -5.701 -5.444 1.00 0.00 C ATOM 1271 O TYR B 64 0.238 -6.903 -5.654 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.511 -4.159 -4.863 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.750 -4.932 -5.287 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.992 -6.262 -4.876 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.700 -4.273 -6.088 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -4.182 -6.910 -5.250 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.888 -4.919 -6.470 1.00 0.00 C ATOM 1278 CZ TYR B 64 -5.142 -6.233 -6.029 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.304 -6.853 -6.354 1.00 0.00 O ATOM 0 H TYR B 64 0.271 -3.051 -3.677 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.673 -5.729 -3.624 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.810 -3.437 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.160 -3.590 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.262 -6.782 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.514 -3.260 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.361 -7.929 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.604 -4.410 -7.099 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.857 -6.250 -6.893 1.00 0.00 H new ATOM 1289 N ILE B 65 1.270 -4.963 -6.123 1.00 0.00 N ATOM 1290 CA ILE B 65 2.238 -5.446 -7.112 1.00 0.00 C ATOM 1291 C ILE B 65 3.370 -6.220 -6.437 1.00 0.00 C ATOM 1292 O ILE B 65 3.755 -7.277 -6.930 1.00 0.00 O ATOM 1293 CB ILE B 65 2.755 -4.266 -7.968 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.695 -3.951 -9.040 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.107 -4.543 -8.648 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.901 -2.582 -9.690 1.00 0.00 C ATOM 0 H ILE B 65 1.325 -3.953 -5.994 1.00 0.00 H new ATOM 0 HA ILE B 65 1.743 -6.146 -7.785 1.00 0.00 H new ATOM 0 HB ILE B 65 2.919 -3.421 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.723 -4.722 -9.810 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.704 -3.988 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.406 -3.672 -9.231 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.861 -4.748 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.013 -5.406 -9.307 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.125 -2.414 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE B 65 1.845 -1.805 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.879 -2.550 -10.169 1.00 0.00 H new ATOM 1308 N LEU B 66 3.892 -5.754 -5.294 1.00 0.00 N ATOM 1309 CA LEU B 66 4.987 -6.442 -4.602 1.00 0.00 C ATOM 1310 C LEU B 66 4.537 -7.823 -4.099 1.00 0.00 C ATOM 1311 O LEU B 66 5.281 -8.799 -4.187 1.00 0.00 O ATOM 1312 CB LEU B 66 5.532 -5.580 -3.454 1.00 0.00 C ATOM 1313 CG LEU B 66 5.887 -4.127 -3.818 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.520 -3.424 -2.625 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.785 -3.992 -5.045 1.00 0.00 C ATOM 0 H LEU B 66 3.573 -4.903 -4.830 1.00 0.00 H new ATOM 0 HA LEU B 66 5.796 -6.598 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.792 -5.564 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.424 -6.063 -3.054 1.00 0.00 H new ATOM 0 HG LEU B 66 4.944 -3.647 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU B 66 6.766 -2.397 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU B 66 5.819 -3.421 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.429 -3.950 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.988 -2.938 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.724 -4.516 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.285 -4.426 -5.911 1.00 0.00 H new ATOM 1327 N LYS B 67 3.277 -7.910 -3.655 1.00 0.00 N ATOM 1328 CA LYS B 67 2.557 -9.125 -3.267 1.00 0.00 C ATOM 1329 C LYS B 67 2.456 -10.117 -4.426 1.00 0.00 C ATOM 1330 O LYS B 67 2.722 -11.303 -4.235 1.00 0.00 O ATOM 1331 CB LYS B 67 1.176 -8.710 -2.733 1.00 0.00 C ATOM 1332 CG LYS B 67 0.369 -9.881 -2.157 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.948 -9.377 -1.544 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.790 -10.502 -0.922 1.00 0.00 C ATOM 1335 NZ LYS B 67 -2.411 -11.387 -1.947 1.00 0.00 N ATOM 0 H LYS B 67 2.697 -7.077 -3.551 1.00 0.00 H new ATOM 0 HA LYS B 67 3.105 -9.648 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.306 -7.953 -1.960 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.607 -8.248 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.157 -10.606 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS B 67 0.957 -10.397 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.725 -8.632 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.533 -8.877 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.160 -11.101 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -2.573 -10.065 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -2.967 -12.128 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -3.034 -10.824 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -1.665 -11.828 -2.523 1.00 0.00 H new ATOM 1349 N ALA B 68 2.125 -9.624 -5.623 1.00 0.00 N ATOM 1350 CA ALA B 68 2.126 -10.413 -6.857 1.00 0.00 C ATOM 1351 C ALA B 68 3.538 -10.888 -7.256 1.00 0.00 C ATOM 1352 O ALA B 68 3.710 -12.033 -7.673 1.00 0.00 O ATOM 1353 CB ALA B 68 1.469 -9.594 -7.975 1.00 0.00 C ATOM 0 H ALA B 68 1.845 -8.653 -5.763 1.00 0.00 H new ATOM 0 HA ALA B 68 1.548 -11.321 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.466 -10.175 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.444 -9.352 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.030 -8.672 -8.128 1.00 0.00 H new ATOM 1359 N LEU B 69 4.564 -10.046 -7.085 1.00 0.00 N ATOM 1360 CA LEU B 69 5.955 -10.296 -7.479 1.00 0.00 C ATOM 1361 C LEU B 69 6.594 -11.470 -6.733 1.00 0.00 C ATOM 1362 O LEU B 69 7.504 -12.109 -7.264 1.00 0.00 O ATOM 1363 CB LEU B 69 6.782 -9.013 -7.255 1.00 0.00 C ATOM 1364 CG LEU B 69 7.306 -8.361 -8.543 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.240 -7.491 -9.206 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.494 -7.455 -8.223 1.00 0.00 C ATOM 0 H LEU B 69 4.442 -9.132 -6.649 1.00 0.00 H new ATOM 0 HA LEU B 69 5.949 -10.571 -8.534 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.168 -8.289 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.629 -9.250 -6.612 1.00 0.00 H new ATOM 0 HG LEU B 69 7.593 -9.169 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.647 -7.046 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.375 -8.104 -9.458 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.937 -6.701 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.860 -6.996 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.181 -6.676 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.290 -8.046 -7.770 1.00 0.00 H new ATOM 1378 N ARG B 70 6.087 -11.784 -5.533 1.00 0.00 N ATOM 1379 CA ARG B 70 6.480 -12.963 -4.751 1.00 0.00 C ATOM 1380 C ARG B 70 6.353 -14.262 -5.555 1.00 0.00 C ATOM 1381 O ARG B 70 7.210 -15.140 -5.441 1.00 0.00 O ATOM 1382 CB ARG B 70 5.674 -13.072 -3.446 1.00 0.00 C ATOM 1383 CG ARG B 70 5.804 -11.836 -2.541 1.00 0.00 C ATOM 1384 CD ARG B 70 5.245 -12.078 -1.135 1.00 0.00 C ATOM 1385 NE ARG B 70 3.815 -12.452 -1.159 1.00 0.00 N ATOM 1386 CZ ARG B 70 3.106 -12.910 -0.142 1.00 0.00 C ATOM 1387 NH1 ARG B 70 3.599 -13.005 1.061 1.00 0.00 N ATOM 1388 NH2 ARG B 70 1.874 -13.292 -0.317 1.00 0.00 N ATOM 0 H ARG B 70 5.379 -11.214 -5.070 1.00 0.00 H new ATOM 0 HA ARG B 70 7.532 -12.824 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.623 -13.226 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.006 -13.952 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG B 70 6.854 -11.552 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG B 70 5.278 -10.998 -2.998 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.817 -12.868 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG B 70 5.373 -11.177 -0.535 1.00 0.00 H new ATOM 0 HE ARG B 70 3.327 -12.346 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG B 70 4.562 -12.721 1.241 1.00 0.00 H new ATOM 0 HH12 ARG B 70 3.022 -13.363 1.822 1.00 0.00 H new ATOM 0 HH21 ARG B 70 1.450 -13.239 -1.243 1.00 0.00 H new ATOM 0 HH22 ARG B 70 1.332 -13.645 0.472 1.00 0.00 H new ATOM 1402 N LYS B 71 5.287 -14.373 -6.364 1.00 0.00 N ATOM 1403 CA LYS B 71 4.982 -15.512 -7.248 1.00 0.00 C ATOM 1404 C LYS B 71 4.042 -15.094 -8.401 1.00 0.00 C ATOM 1405 O LYS B 71 2.857 -15.428 -8.396 1.00 0.00 O ATOM 1406 CB LYS B 71 4.468 -16.687 -6.389 1.00 0.00 C ATOM 1407 CG LYS B 71 4.829 -18.084 -6.922 1.00 0.00 C ATOM 1408 CD LYS B 71 3.978 -18.544 -8.112 1.00 0.00 C ATOM 1409 CE LYS B 71 4.307 -19.992 -8.503 1.00 0.00 C ATOM 1410 NZ LYS B 71 5.577 -20.093 -9.268 1.00 0.00 N ATOM 0 H LYS B 71 4.582 -13.638 -6.423 1.00 0.00 H new ATOM 0 HA LYS B 71 5.884 -15.859 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS B 71 4.869 -16.584 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.383 -16.613 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS B 71 5.878 -18.087 -7.218 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.723 -18.807 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.921 -18.464 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.153 -17.886 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.378 -20.602 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS B 71 3.492 -20.399 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 5.559 -20.949 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 5.684 -19.256 -9.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 6.378 -20.145 -8.606 1.00 0.00 H new ATOM 1424 N ILE B 72 4.579 -14.365 -9.390 1.00 0.00 N ATOM 1425 CA ILE B 72 3.864 -13.901 -10.603 1.00 0.00 C ATOM 1426 C ILE B 72 3.064 -15.035 -11.277 1.00 0.00 C ATOM 1427 O ILE B 72 1.860 -14.901 -11.507 1.00 0.00 O ATOM 1428 CB ILE B 72 4.855 -13.256 -11.599 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.495 -11.962 -11.051 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.234 -12.963 -12.976 1.00 0.00 C ATOM 1431 CD1 ILE B 72 4.556 -10.753 -10.905 1.00 0.00 C ATOM 0 H ILE B 72 5.555 -14.069 -9.374 1.00 0.00 H new ATOM 0 HA ILE B 72 3.142 -13.148 -10.289 1.00 0.00 H new ATOM 0 HB ILE B 72 5.632 -14.010 -11.728 1.00 0.00 H new ATOM 0 HG12 ILE B 72 5.928 -12.180 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.317 -11.681 -11.709 1.00 0.00 H new ATOM 0 HG21 ILE B 72 4.984 -12.511 -13.625 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.882 -13.893 -13.422 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.395 -12.277 -12.858 1.00 0.00 H new ATOM 0 HD11 ILE B 72 5.115 -9.904 -10.512 1.00 0.00 H new ATOM 0 HD12 ILE B 72 4.141 -10.495 -11.879 1.00 0.00 H new ATOM 0 HD13 ILE B 72 3.746 -11.002 -10.220 1.00 0.00 H new ATOM 1443 N GLU B 73 3.738 -16.148 -11.593 1.00 0.00 N ATOM 1444 CA GLU B 73 3.189 -17.348 -12.257 1.00 0.00 C ATOM 1445 C GLU B 73 3.884 -18.640 -11.794 1.00 0.00 C ATOM 1446 O GLU B 73 3.181 -19.648 -11.566 1.00 0.00 O ATOM 1447 CB GLU B 73 3.278 -17.174 -13.786 1.00 0.00 C ATOM 1448 CG GLU B 73 2.549 -18.286 -14.555 1.00 0.00 C ATOM 1449 CD GLU B 73 2.528 -18.007 -16.074 1.00 0.00 C ATOM 1450 OE1 GLU B 73 3.500 -18.375 -16.784 1.00 0.00 O ATOM 1451 OE2 GLU B 73 1.531 -17.434 -16.583 1.00 0.00 O ATOM 0 H GLU B 73 4.732 -16.246 -11.384 1.00 0.00 H new ATOM 0 HA GLU B 73 2.142 -17.449 -11.970 1.00 0.00 H new ATOM 0 HB2 GLU B 73 2.854 -16.209 -14.063 1.00 0.00 H new ATOM 0 HB3 GLU B 73 4.326 -17.159 -14.085 1.00 0.00 H new ATOM 0 HG2 GLU B 73 3.039 -19.241 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU B 73 1.527 -18.374 -14.186 1.00 0.00 H new TER 1458 GLU B 73