USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 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: B 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 59 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 160:sc= 0.148 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.399 K(o=0.4,f=-2.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.457! X(o=-0.46!,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -172:sc= -0.261 (180deg=-0.397) 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+ -177:sc= 0.533 (180deg=0.522) 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 180:sc=-0.00101 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= 0.321 K(o=0.32,f=-2.9!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.882 K(o=0.88,f=-0.0027) 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 -179:sc= -0.631 (180deg=-0.655) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.148) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -7.461 14.714 -12.756 1.00 0.00 N ATOM 2 CA THR A 31 -7.205 13.269 -12.539 1.00 0.00 C ATOM 3 C THR A 31 -6.705 12.851 -11.138 1.00 0.00 C ATOM 4 O THR A 31 -6.549 13.669 -10.226 1.00 0.00 O ATOM 5 CB THR A 31 -6.386 12.675 -13.709 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.537 11.276 -13.736 1.00 0.00 O ATOM 7 CG2 THR A 31 -4.887 12.983 -13.722 1.00 0.00 C ATOM 0 HA THR A 31 -8.192 12.806 -12.545 1.00 0.00 H new ATOM 0 HB THR A 31 -6.800 13.168 -14.589 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.301 10.939 -14.625 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.426 12.511 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.738 14.062 -13.773 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.428 12.596 -12.812 1.00 0.00 H new ATOM 15 N ARG A 32 -6.522 11.540 -10.928 1.00 0.00 N ATOM 16 CA ARG A 32 -6.045 10.905 -9.685 1.00 0.00 C ATOM 17 C ARG A 32 -4.574 10.498 -9.784 1.00 0.00 C ATOM 18 O ARG A 32 -4.249 9.362 -10.130 1.00 0.00 O ATOM 19 CB ARG A 32 -6.938 9.710 -9.307 1.00 0.00 C ATOM 20 CG ARG A 32 -8.407 10.075 -9.056 1.00 0.00 C ATOM 21 CD ARG A 32 -8.576 11.068 -7.903 1.00 0.00 C ATOM 22 NE ARG A 32 -10.000 11.253 -7.591 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.529 11.845 -6.539 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.809 12.387 -5.597 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.822 11.897 -6.431 1.00 0.00 N ATOM 0 H ARG A 32 -6.712 10.854 -11.659 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.115 11.644 -8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.891 8.969 -10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.534 9.239 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.832 10.502 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.971 9.168 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.048 10.705 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.128 12.025 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.660 10.877 -8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.791 12.364 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.264 12.834 -4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.411 11.484 -7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.248 12.351 -5.623 1.00 0.00 H new ATOM 39 N ALA A 33 -3.694 11.444 -9.463 1.00 0.00 N ATOM 40 CA ALA A 33 -2.254 11.248 -9.296 1.00 0.00 C ATOM 41 C ALA A 33 -1.932 10.248 -8.166 1.00 0.00 C ATOM 42 O ALA A 33 -2.264 10.484 -7.001 1.00 0.00 O ATOM 43 CB ALA A 33 -1.622 12.620 -9.034 1.00 0.00 C ATOM 0 H ALA A 33 -3.977 12.411 -9.305 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.836 10.810 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.546 12.506 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.818 13.279 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.052 13.052 -8.130 1.00 0.00 H new ATOM 49 N VAL A 34 -1.269 9.139 -8.510 1.00 0.00 N ATOM 50 CA VAL A 34 -0.817 8.081 -7.594 1.00 0.00 C ATOM 51 C VAL A 34 0.650 7.772 -7.878 1.00 0.00 C ATOM 52 O VAL A 34 0.971 7.017 -8.796 1.00 0.00 O ATOM 53 CB VAL A 34 -1.713 6.829 -7.673 1.00 0.00 C ATOM 54 CG1 VAL A 34 -1.240 5.721 -6.722 1.00 0.00 C ATOM 55 CG2 VAL A 34 -3.164 7.154 -7.283 1.00 0.00 C ATOM 0 H VAL A 34 -1.020 8.943 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.904 8.434 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.652 6.491 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.900 4.858 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.223 5.428 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.260 6.089 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.770 6.250 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.190 7.534 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.563 7.908 -7.961 1.00 0.00 H new ATOM 65 N SER A 35 1.534 8.415 -7.114 1.00 0.00 N ATOM 66 CA SER A 35 2.992 8.383 -7.274 1.00 0.00 C ATOM 67 C SER A 35 3.690 7.586 -6.170 1.00 0.00 C ATOM 68 O SER A 35 3.494 7.848 -4.980 1.00 0.00 O ATOM 69 CB SER A 35 3.533 9.810 -7.323 1.00 0.00 C ATOM 70 OG SER A 35 4.913 9.801 -7.659 1.00 0.00 O ATOM 0 H SER A 35 1.242 8.999 -6.331 1.00 0.00 H new ATOM 0 HA SER A 35 3.207 7.871 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.976 10.392 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.390 10.294 -6.357 1.00 0.00 H new ATOM 0 HG SER A 35 5.248 10.721 -7.689 1.00 0.00 H new ATOM 76 N LEU A 36 4.488 6.595 -6.574 1.00 0.00 N ATOM 77 CA LEU A 36 5.205 5.646 -5.723 1.00 0.00 C ATOM 78 C LEU A 36 6.717 5.649 -6.004 1.00 0.00 C ATOM 79 O LEU A 36 7.201 6.257 -6.960 1.00 0.00 O ATOM 80 CB LEU A 36 4.608 4.230 -5.911 1.00 0.00 C ATOM 81 CG LEU A 36 3.303 3.906 -5.163 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.393 4.273 -3.680 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.059 4.540 -5.780 1.00 0.00 C ATOM 0 H LEU A 36 4.660 6.424 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 36 5.079 5.955 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.433 4.077 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.361 3.504 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 36 3.188 2.827 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.452 4.029 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.203 3.711 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.588 5.341 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.182 4.264 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.167 5.625 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.939 4.185 -6.803 1.00 0.00 H new ATOM 95 N TYR A 37 7.452 4.940 -5.147 1.00 0.00 N ATOM 96 CA TYR A 37 8.911 4.929 -5.055 1.00 0.00 C ATOM 97 C TYR A 37 9.407 3.473 -5.052 1.00 0.00 C ATOM 98 O TYR A 37 9.615 2.863 -4.000 1.00 0.00 O ATOM 99 CB TYR A 37 9.328 5.739 -3.813 1.00 0.00 C ATOM 100 CG TYR A 37 8.770 7.157 -3.793 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.443 8.193 -4.468 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.545 7.426 -3.147 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.905 9.495 -4.492 1.00 0.00 C ATOM 104 CE2 TYR A 37 6.990 8.720 -3.189 1.00 0.00 C ATOM 105 CZ TYR A 37 7.673 9.762 -3.855 1.00 0.00 C ATOM 106 OH TYR A 37 7.140 11.015 -3.875 1.00 0.00 O ATOM 0 H TYR A 37 7.020 4.323 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 37 9.379 5.406 -5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.994 5.214 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.416 5.785 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.377 7.989 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.031 6.637 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.435 10.289 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.041 8.916 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 37 6.289 11.016 -3.389 1.00 0.00 H new ATOM 116 N PHE A 38 9.492 2.882 -6.244 1.00 0.00 N ATOM 117 CA PHE A 38 9.929 1.515 -6.497 1.00 0.00 C ATOM 118 C PHE A 38 11.453 1.388 -6.355 1.00 0.00 C ATOM 119 O PHE A 38 12.180 2.375 -6.479 1.00 0.00 O ATOM 120 CB PHE A 38 9.523 1.169 -7.935 1.00 0.00 C ATOM 121 CG PHE A 38 8.089 0.698 -8.136 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.990 1.476 -7.715 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.852 -0.524 -8.794 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.674 1.033 -7.946 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.538 -0.970 -9.014 1.00 0.00 C ATOM 126 CZ PHE A 38 5.447 -0.195 -8.590 1.00 0.00 C ATOM 0 H PHE A 38 9.244 3.373 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 38 9.470 0.839 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.684 2.049 -8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.193 0.392 -8.302 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.159 2.417 -7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.685 -1.122 -9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.838 1.638 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.367 -1.913 -9.511 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.438 -0.541 -8.758 1.00 0.00 H new ATOM 136 N SER A 39 11.955 0.164 -6.190 1.00 0.00 N ATOM 137 CA SER A 39 13.393 -0.112 -6.233 1.00 0.00 C ATOM 138 C SER A 39 13.835 -0.474 -7.642 1.00 0.00 C ATOM 139 O SER A 39 13.016 -0.888 -8.459 1.00 0.00 O ATOM 140 CB SER A 39 13.774 -1.226 -5.248 1.00 0.00 C ATOM 141 OG SER A 39 13.460 -0.847 -3.917 1.00 0.00 O ATOM 0 H SER A 39 11.380 -0.662 -6.023 1.00 0.00 H new ATOM 0 HA SER A 39 13.913 0.798 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.244 -2.143 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.840 -1.441 -5.329 1.00 0.00 H new ATOM 0 HG SER A 39 13.708 -1.570 -3.304 1.00 0.00 H new ATOM 147 N ASP A 40 15.134 -0.375 -7.927 1.00 0.00 N ATOM 148 CA ASP A 40 15.692 -0.782 -9.218 1.00 0.00 C ATOM 149 C ASP A 40 15.327 -2.234 -9.566 1.00 0.00 C ATOM 150 O ASP A 40 14.960 -2.513 -10.702 1.00 0.00 O ATOM 151 CB ASP A 40 17.208 -0.527 -9.265 1.00 0.00 C ATOM 152 CG ASP A 40 18.027 -1.483 -8.379 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.897 -1.412 -7.135 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.801 -2.300 -8.930 1.00 0.00 O ATOM 0 H ASP A 40 15.827 -0.012 -7.273 1.00 0.00 H new ATOM 0 HA ASP A 40 15.238 -0.162 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.551 -0.619 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.404 0.499 -8.954 1.00 0.00 H new ATOM 159 N GLU A 41 15.346 -3.153 -8.597 1.00 0.00 N ATOM 160 CA GLU A 41 14.899 -4.546 -8.750 1.00 0.00 C ATOM 161 C GLU A 41 13.424 -4.637 -9.162 1.00 0.00 C ATOM 162 O GLU A 41 13.082 -5.269 -10.162 1.00 0.00 O ATOM 163 CB GLU A 41 15.095 -5.292 -7.421 1.00 0.00 C ATOM 164 CG GLU A 41 16.561 -5.408 -6.991 1.00 0.00 C ATOM 165 CD GLU A 41 17.191 -6.740 -7.441 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.451 -6.916 -8.656 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.430 -7.625 -6.580 1.00 0.00 O ATOM 0 H GLU A 41 15.682 -2.946 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 41 15.497 -5.000 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.536 -4.777 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.671 -6.292 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.129 -4.578 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.628 -5.323 -5.906 1.00 0.00 H new ATOM 174 N GLN A 42 12.550 -3.980 -8.394 1.00 0.00 N ATOM 175 CA GLN A 42 11.100 -3.926 -8.617 1.00 0.00 C ATOM 176 C GLN A 42 10.764 -3.346 -10.002 1.00 0.00 C ATOM 177 O GLN A 42 9.936 -3.893 -10.733 1.00 0.00 O ATOM 178 CB GLN A 42 10.436 -3.097 -7.504 1.00 0.00 C ATOM 179 CG GLN A 42 10.575 -3.733 -6.105 1.00 0.00 C ATOM 180 CD GLN A 42 10.268 -2.757 -4.968 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.822 -1.635 -5.159 1.00 0.00 O ATOM 182 NE2 GLN A 42 10.534 -3.134 -3.737 1.00 0.00 N ATOM 0 H GLN A 42 12.841 -3.452 -7.571 1.00 0.00 H new ATOM 0 HA GLN A 42 10.709 -4.943 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.879 -2.101 -7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.378 -2.972 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.903 -4.588 -6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.589 -4.114 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.907 -4.067 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.368 -2.494 -2.960 1.00 0.00 H new ATOM 191 N TYR A 43 11.451 -2.264 -10.382 1.00 0.00 N ATOM 192 CA TYR A 43 11.348 -1.606 -11.689 1.00 0.00 C ATOM 193 C TYR A 43 11.735 -2.557 -12.823 1.00 0.00 C ATOM 194 O TYR A 43 10.997 -2.752 -13.788 1.00 0.00 O ATOM 195 CB TYR A 43 12.285 -0.390 -11.694 1.00 0.00 C ATOM 196 CG TYR A 43 11.946 0.666 -12.727 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.909 1.586 -12.477 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.676 0.740 -13.930 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.606 2.586 -13.422 1.00 0.00 C ATOM 200 CE2 TYR A 43 12.372 1.735 -14.879 1.00 0.00 C ATOM 201 CZ TYR A 43 11.338 2.662 -14.628 1.00 0.00 C ATOM 202 OH TYR A 43 11.061 3.628 -15.545 1.00 0.00 O ATOM 0 H TYR A 43 12.120 -1.805 -9.764 1.00 0.00 H new ATOM 0 HA TYR A 43 10.315 -1.298 -11.851 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.268 0.069 -10.706 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.304 -0.735 -11.867 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.345 1.525 -11.558 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.469 0.033 -14.124 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.815 3.294 -13.225 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.932 1.789 -15.801 1.00 0.00 H new ATOM 0 HH TYR A 43 11.662 3.532 -16.313 1.00 0.00 H new ATOM 212 N GLN A 44 12.906 -3.172 -12.671 1.00 0.00 N ATOM 213 CA GLN A 44 13.506 -4.099 -13.635 1.00 0.00 C ATOM 214 C GLN A 44 12.650 -5.346 -13.869 1.00 0.00 C ATOM 215 O GLN A 44 12.490 -5.762 -15.013 1.00 0.00 O ATOM 216 CB GLN A 44 14.920 -4.510 -13.207 1.00 0.00 C ATOM 217 CG GLN A 44 15.966 -3.449 -13.583 1.00 0.00 C ATOM 218 CD GLN A 44 17.321 -3.735 -12.940 1.00 0.00 C ATOM 219 OE1 GLN A 44 18.293 -4.109 -13.586 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.428 -3.559 -11.642 1.00 0.00 N ATOM 0 H GLN A 44 13.486 -3.035 -11.843 1.00 0.00 H new ATOM 0 HA GLN A 44 13.562 -3.557 -14.579 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.940 -4.673 -12.129 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.180 -5.458 -13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.078 -3.417 -14.667 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.615 -2.466 -13.269 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.621 -3.248 -11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.318 -3.734 -11.175 1.00 0.00 H new ATOM 229 N LYS A 45 12.060 -5.927 -12.820 1.00 0.00 N ATOM 230 CA LYS A 45 11.106 -7.045 -12.932 1.00 0.00 C ATOM 231 C LYS A 45 9.881 -6.645 -13.762 1.00 0.00 C ATOM 232 O LYS A 45 9.452 -7.407 -14.628 1.00 0.00 O ATOM 233 CB LYS A 45 10.712 -7.554 -11.533 1.00 0.00 C ATOM 234 CG LYS A 45 10.677 -9.085 -11.405 1.00 0.00 C ATOM 235 CD LYS A 45 9.587 -9.768 -12.252 1.00 0.00 C ATOM 236 CE LYS A 45 9.390 -11.243 -11.863 1.00 0.00 C ATOM 237 NZ LYS A 45 10.582 -12.081 -12.164 1.00 0.00 N ATOM 0 H LYS A 45 12.230 -5.635 -11.858 1.00 0.00 H new ATOM 0 HA LYS A 45 11.592 -7.866 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.416 -7.156 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.729 -7.157 -11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.649 -9.484 -11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.524 -9.347 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.645 -9.233 -12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.855 -9.705 -13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.166 -11.307 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.527 -11.642 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.395 -13.065 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.783 -12.045 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.402 -11.720 -11.637 1.00 0.00 H new ATOM 251 N LEU A 46 9.350 -5.435 -13.549 1.00 0.00 N ATOM 252 CA LEU A 46 8.253 -4.900 -14.359 1.00 0.00 C ATOM 253 C LEU A 46 8.656 -4.612 -15.808 1.00 0.00 C ATOM 254 O LEU A 46 7.883 -4.886 -16.720 1.00 0.00 O ATOM 255 CB LEU A 46 7.612 -3.691 -13.647 1.00 0.00 C ATOM 256 CG LEU A 46 6.169 -4.057 -13.276 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.568 -3.151 -12.210 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.259 -3.986 -14.504 1.00 0.00 C ATOM 0 H LEU A 46 9.668 -4.803 -12.814 1.00 0.00 H new ATOM 0 HA LEU A 46 7.491 -5.675 -14.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.180 -3.433 -12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.626 -2.816 -14.297 1.00 0.00 H new ATOM 0 HG LEU A 46 6.225 -5.071 -12.879 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.547 -3.467 -11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.165 -3.214 -11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.561 -2.122 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.241 -4.249 -14.218 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.272 -2.974 -14.909 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.615 -4.684 -15.262 1.00 0.00 H new ATOM 270 N GLU A 47 9.883 -4.166 -16.049 1.00 0.00 N ATOM 271 CA GLU A 47 10.451 -4.068 -17.399 1.00 0.00 C ATOM 272 C GLU A 47 10.608 -5.443 -18.077 1.00 0.00 C ATOM 273 O GLU A 47 10.257 -5.608 -19.247 1.00 0.00 O ATOM 274 CB GLU A 47 11.771 -3.289 -17.347 1.00 0.00 C ATOM 275 CG GLU A 47 12.248 -2.871 -18.740 1.00 0.00 C ATOM 276 CD GLU A 47 13.587 -2.112 -18.660 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.659 -2.766 -18.621 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.581 -0.858 -18.639 1.00 0.00 O ATOM 0 H GLU A 47 10.520 -3.859 -15.313 1.00 0.00 H new ATOM 0 HA GLU A 47 9.749 -3.518 -18.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.644 -2.402 -16.727 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.536 -3.903 -16.872 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.363 -3.754 -19.369 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.495 -2.239 -19.212 1.00 0.00 H new ATOM 285 N LYS A 48 11.070 -6.461 -17.343 1.00 0.00 N ATOM 286 CA LYS A 48 11.239 -7.828 -17.848 1.00 0.00 C ATOM 287 C LYS A 48 9.901 -8.484 -18.218 1.00 0.00 C ATOM 288 O LYS A 48 9.834 -9.239 -19.188 1.00 0.00 O ATOM 289 CB LYS A 48 12.055 -8.666 -16.845 1.00 0.00 C ATOM 290 CG LYS A 48 12.937 -9.693 -17.573 1.00 0.00 C ATOM 291 CD LYS A 48 13.879 -10.419 -16.600 1.00 0.00 C ATOM 292 CE LYS A 48 14.913 -11.235 -17.386 1.00 0.00 C ATOM 293 NZ LYS A 48 15.871 -11.927 -16.484 1.00 0.00 N ATOM 0 H LYS A 48 11.341 -6.357 -16.365 1.00 0.00 H new ATOM 0 HA LYS A 48 11.803 -7.779 -18.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.680 -8.009 -16.240 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.380 -9.181 -16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.305 -10.422 -18.081 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.524 -9.190 -18.342 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.384 -9.695 -15.961 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.305 -11.076 -15.946 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.401 -11.971 -18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.460 -10.576 -18.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.554 -12.468 -17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.378 -11.223 -15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.352 -12.575 -15.858 1.00 0.00 H new ATOM 307 N MET A 49 8.824 -8.139 -17.506 1.00 0.00 N ATOM 308 CA MET A 49 7.446 -8.439 -17.858 1.00 0.00 C ATOM 309 C MET A 49 6.958 -7.626 -19.068 1.00 0.00 C ATOM 310 O MET A 49 6.348 -8.187 -19.974 1.00 0.00 O ATOM 311 CB MET A 49 6.578 -8.111 -16.646 1.00 0.00 C ATOM 312 CG MET A 49 6.536 -9.217 -15.590 1.00 0.00 C ATOM 313 SD MET A 49 5.070 -9.141 -14.523 1.00 0.00 S ATOM 314 CE MET A 49 5.159 -7.446 -13.910 1.00 0.00 C ATOM 0 H MET A 49 8.900 -7.620 -16.631 1.00 0.00 H new ATOM 0 HA MET A 49 7.377 -9.491 -18.134 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.949 -7.196 -16.184 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.562 -7.908 -16.984 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.563 -10.186 -16.088 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.431 -9.152 -14.971 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.407 -7.299 -13.135 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.149 -7.261 -13.494 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.975 -6.752 -14.730 1.00 0.00 H new ATOM 324 N ALA A 50 7.239 -6.321 -19.112 1.00 0.00 N ATOM 325 CA ALA A 50 6.831 -5.410 -20.181 1.00 0.00 C ATOM 326 C ALA A 50 7.310 -5.836 -21.573 1.00 0.00 C ATOM 327 O ALA A 50 6.599 -5.596 -22.546 1.00 0.00 O ATOM 328 CB ALA A 50 7.280 -3.992 -19.823 1.00 0.00 C ATOM 0 H ALA A 50 7.775 -5.856 -18.379 1.00 0.00 H new ATOM 0 HA ALA A 50 5.744 -5.442 -20.251 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.980 -3.305 -20.614 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.816 -3.689 -18.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.364 -3.970 -19.715 1.00 0.00 H new ATOM 334 N ASN A 51 8.433 -6.544 -21.682 1.00 0.00 N ATOM 335 CA ASN A 51 8.894 -7.155 -22.930 1.00 0.00 C ATOM 336 C ASN A 51 7.867 -8.138 -23.540 1.00 0.00 C ATOM 337 O ASN A 51 7.808 -8.284 -24.760 1.00 0.00 O ATOM 338 CB ASN A 51 10.247 -7.822 -22.654 1.00 0.00 C ATOM 339 CG ASN A 51 10.850 -8.448 -23.902 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.231 -7.770 -24.846 1.00 0.00 O ATOM 341 ND2 ASN A 51 10.966 -9.757 -23.949 1.00 0.00 N ATOM 0 H ASN A 51 9.059 -6.712 -20.894 1.00 0.00 H new ATOM 0 HA ASN A 51 9.009 -6.380 -23.688 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.939 -7.082 -22.252 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.122 -8.589 -21.890 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.373 -10.204 -24.771 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.649 -10.326 -23.164 1.00 0.00 H new ATOM 348 N GLU A 52 7.010 -8.758 -22.721 1.00 0.00 N ATOM 349 CA GLU A 52 5.912 -9.627 -23.160 1.00 0.00 C ATOM 350 C GLU A 52 4.763 -8.850 -23.844 1.00 0.00 C ATOM 351 O GLU A 52 4.108 -9.368 -24.749 1.00 0.00 O ATOM 352 CB GLU A 52 5.387 -10.435 -21.958 1.00 0.00 C ATOM 353 CG GLU A 52 4.589 -11.692 -22.332 1.00 0.00 C ATOM 354 CD GLU A 52 5.478 -12.772 -22.985 1.00 0.00 C ATOM 355 OE1 GLU A 52 6.166 -13.523 -22.252 1.00 0.00 O ATOM 356 OE2 GLU A 52 5.488 -12.886 -24.235 1.00 0.00 O ATOM 0 H GLU A 52 7.062 -8.667 -21.706 1.00 0.00 H new ATOM 0 HA GLU A 52 6.310 -10.304 -23.916 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.233 -10.729 -21.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.756 -9.787 -21.350 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.119 -12.102 -21.438 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.786 -11.421 -23.018 1.00 0.00 H new ATOM 363 N GLU A 53 4.546 -7.583 -23.464 1.00 0.00 N ATOM 364 CA GLU A 53 3.662 -6.619 -24.134 1.00 0.00 C ATOM 365 C GLU A 53 4.413 -5.737 -25.160 1.00 0.00 C ATOM 366 O GLU A 53 3.822 -4.860 -25.791 1.00 0.00 O ATOM 367 CB GLU A 53 2.958 -5.773 -23.059 1.00 0.00 C ATOM 368 CG GLU A 53 1.676 -6.465 -22.564 1.00 0.00 C ATOM 369 CD GLU A 53 0.843 -5.624 -21.568 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.068 -4.398 -21.428 1.00 0.00 O ATOM 371 OE2 GLU A 53 -0.090 -6.196 -20.952 1.00 0.00 O ATOM 0 H GLU A 53 5.003 -7.184 -22.644 1.00 0.00 H new ATOM 0 HA GLU A 53 2.919 -7.167 -24.714 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.634 -5.609 -22.220 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.712 -4.792 -23.466 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.053 -6.709 -23.425 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.946 -7.408 -22.088 1.00 0.00 H new ATOM 378 N GLU A 54 5.709 -6.003 -25.358 1.00 0.00 N ATOM 379 CA GLU A 54 6.646 -5.329 -26.266 1.00 0.00 C ATOM 380 C GLU A 54 6.996 -3.898 -25.800 1.00 0.00 C ATOM 381 O GLU A 54 6.893 -2.922 -26.544 1.00 0.00 O ATOM 382 CB GLU A 54 6.177 -5.456 -27.732 1.00 0.00 C ATOM 383 CG GLU A 54 7.347 -5.344 -28.715 1.00 0.00 C ATOM 384 CD GLU A 54 6.852 -5.389 -30.173 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.705 -6.502 -30.736 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.614 -4.313 -30.776 1.00 0.00 O ATOM 0 H GLU A 54 6.168 -6.757 -24.846 1.00 0.00 H new ATOM 0 HA GLU A 54 7.605 -5.845 -26.227 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.675 -6.414 -27.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.445 -4.678 -27.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.886 -4.413 -28.539 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.051 -6.158 -28.541 1.00 0.00 H new ATOM 393 N GLU A 55 7.454 -3.806 -24.545 1.00 0.00 N ATOM 394 CA GLU A 55 7.913 -2.618 -23.810 1.00 0.00 C ATOM 395 C GLU A 55 6.824 -1.544 -23.614 1.00 0.00 C ATOM 396 O GLU A 55 6.582 -0.685 -24.467 1.00 0.00 O ATOM 397 CB GLU A 55 9.189 -2.017 -24.417 1.00 0.00 C ATOM 398 CG GLU A 55 10.356 -2.984 -24.684 1.00 0.00 C ATOM 399 CD GLU A 55 11.093 -3.375 -23.391 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.486 -4.052 -22.530 1.00 0.00 O ATOM 401 OE2 GLU A 55 12.283 -3.006 -23.233 1.00 0.00 O ATOM 0 H GLU A 55 7.519 -4.641 -23.962 1.00 0.00 H new ATOM 0 HA GLU A 55 8.157 -2.982 -22.812 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.923 -1.538 -25.359 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.545 -1.232 -23.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.977 -3.883 -25.170 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.059 -2.520 -25.375 1.00 0.00 H new ATOM 408 N SER A 56 6.164 -1.584 -22.453 1.00 0.00 N ATOM 409 CA SER A 56 5.063 -0.691 -22.069 1.00 0.00 C ATOM 410 C SER A 56 5.049 -0.474 -20.546 1.00 0.00 C ATOM 411 O SER A 56 3.993 -0.463 -19.907 1.00 0.00 O ATOM 412 CB SER A 56 3.738 -1.258 -22.608 1.00 0.00 C ATOM 413 OG SER A 56 2.807 -0.213 -22.846 1.00 0.00 O ATOM 0 H SER A 56 6.389 -2.264 -21.727 1.00 0.00 H new ATOM 0 HA SER A 56 5.205 0.294 -22.515 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.920 -1.807 -23.532 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.322 -1.967 -21.892 1.00 0.00 H new ATOM 0 HG SER A 56 1.971 -0.592 -23.190 1.00 0.00 H new ATOM 419 N VAL A 57 6.242 -0.347 -19.943 1.00 0.00 N ATOM 420 CA VAL A 57 6.400 -0.077 -18.502 1.00 0.00 C ATOM 421 C VAL A 57 5.593 1.177 -18.111 1.00 0.00 C ATOM 422 O VAL A 57 5.688 2.213 -18.772 1.00 0.00 O ATOM 423 CB VAL A 57 7.866 0.104 -18.049 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.542 -1.248 -17.831 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.742 0.914 -19.011 1.00 0.00 C ATOM 0 H VAL A 57 7.128 -0.429 -20.442 1.00 0.00 H new ATOM 0 HA VAL A 57 6.023 -0.963 -17.992 1.00 0.00 H new ATOM 0 HB VAL A 57 7.788 0.670 -17.120 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.573 -1.092 -17.513 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.005 -1.804 -17.062 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.531 -1.814 -18.762 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.752 0.987 -18.609 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.773 0.417 -19.981 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.325 1.914 -19.129 1.00 0.00 H new ATOM 435 N GLY A 58 4.759 1.080 -17.072 1.00 0.00 N ATOM 436 CA GLY A 58 3.770 2.104 -16.695 1.00 0.00 C ATOM 437 C GLY A 58 2.344 1.622 -16.951 1.00 0.00 C ATOM 438 O GLY A 58 1.522 1.568 -16.037 1.00 0.00 O ATOM 0 H GLY A 58 4.749 0.270 -16.453 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.887 2.355 -15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.955 3.016 -17.262 1.00 0.00 H new ATOM 442 N SER A 59 2.064 1.186 -18.181 1.00 0.00 N ATOM 443 CA SER A 59 0.806 0.529 -18.537 1.00 0.00 C ATOM 444 C SER A 59 0.718 -0.876 -17.947 1.00 0.00 C ATOM 445 O SER A 59 -0.340 -1.261 -17.457 1.00 0.00 O ATOM 446 CB SER A 59 0.682 0.429 -20.052 1.00 0.00 C ATOM 447 OG SER A 59 0.594 1.714 -20.652 1.00 0.00 O ATOM 0 H SER A 59 2.710 1.280 -18.964 1.00 0.00 H new ATOM 0 HA SER A 59 -0.004 1.133 -18.127 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.544 -0.104 -20.454 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.202 -0.155 -20.308 1.00 0.00 H new ATOM 0 HG SER A 59 0.517 1.617 -21.624 1.00 0.00 H new ATOM 453 N TYR A 60 1.824 -1.630 -17.931 1.00 0.00 N ATOM 454 CA TYR A 60 1.874 -2.981 -17.355 1.00 0.00 C ATOM 455 C TYR A 60 1.540 -2.992 -15.852 1.00 0.00 C ATOM 456 O TYR A 60 0.804 -3.858 -15.384 1.00 0.00 O ATOM 457 CB TYR A 60 3.249 -3.606 -17.622 1.00 0.00 C ATOM 458 CG TYR A 60 3.209 -5.114 -17.810 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.983 -5.973 -16.716 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.370 -5.658 -19.099 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.916 -7.366 -16.913 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.332 -7.052 -19.296 1.00 0.00 C ATOM 463 CZ TYR A 60 3.096 -7.910 -18.202 1.00 0.00 C ATOM 464 OH TYR A 60 3.053 -9.260 -18.377 1.00 0.00 O ATOM 0 H TYR A 60 2.715 -1.319 -18.319 1.00 0.00 H new ATOM 0 HA TYR A 60 1.106 -3.581 -17.843 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.679 -3.149 -18.513 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.913 -3.370 -16.791 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.861 -5.562 -15.725 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.524 -5.001 -19.943 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.726 -8.020 -16.075 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.483 -7.463 -20.283 1.00 0.00 H new ATOM 0 HH TYR A 60 3.194 -9.472 -19.323 1.00 0.00 H new ATOM 474 N ILE A 61 2.018 -1.984 -15.110 1.00 0.00 N ATOM 475 CA ILE A 61 1.657 -1.718 -13.696 1.00 0.00 C ATOM 476 C ILE A 61 0.143 -1.618 -13.565 1.00 0.00 C ATOM 477 O ILE A 61 -0.478 -2.355 -12.795 1.00 0.00 O ATOM 478 CB ILE A 61 2.304 -0.406 -13.177 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.823 -0.545 -13.028 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.743 0.054 -11.813 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.573 0.772 -13.210 1.00 0.00 C ATOM 0 H ILE A 61 2.686 -1.308 -15.480 1.00 0.00 H new ATOM 0 HA ILE A 61 2.034 -2.545 -13.094 1.00 0.00 H new ATOM 0 HB ILE A 61 2.057 0.340 -13.932 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.048 -0.950 -12.041 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.188 -1.266 -13.759 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.238 0.976 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.671 0.230 -11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.924 -0.719 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.643 0.601 -13.092 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.377 1.168 -14.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.235 1.489 -12.462 1.00 0.00 H new ATOM 493 N LYS A 62 -0.443 -0.709 -14.353 1.00 0.00 N ATOM 494 CA LYS A 62 -1.877 -0.457 -14.394 1.00 0.00 C ATOM 495 C LYS A 62 -2.628 -1.752 -14.689 1.00 0.00 C ATOM 496 O LYS A 62 -3.436 -2.180 -13.872 1.00 0.00 O ATOM 497 CB LYS A 62 -2.164 0.657 -15.426 1.00 0.00 C ATOM 498 CG LYS A 62 -2.993 1.831 -14.885 1.00 0.00 C ATOM 499 CD LYS A 62 -3.180 2.868 -16.006 1.00 0.00 C ATOM 500 CE LYS A 62 -3.706 4.223 -15.520 1.00 0.00 C ATOM 501 NZ LYS A 62 -5.145 4.195 -15.150 1.00 0.00 N ATOM 0 H LYS A 62 0.085 -0.117 -14.994 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.234 -0.107 -13.425 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.215 1.041 -15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.688 0.220 -16.276 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.962 1.477 -14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.490 2.285 -14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.225 3.020 -16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.871 2.466 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.122 4.544 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.553 4.966 -16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.452 5.151 -14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.706 3.869 -15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.285 3.546 -14.349 1.00 0.00 H new ATOM 515 N ARG A 63 -2.305 -2.425 -15.798 1.00 0.00 N ATOM 516 CA ARG A 63 -2.871 -3.713 -16.230 1.00 0.00 C ATOM 517 C ARG A 63 -2.888 -4.733 -15.099 1.00 0.00 C ATOM 518 O ARG A 63 -3.916 -5.362 -14.886 1.00 0.00 O ATOM 519 CB ARG A 63 -2.089 -4.267 -17.438 1.00 0.00 C ATOM 520 CG ARG A 63 -2.425 -3.591 -18.777 1.00 0.00 C ATOM 521 CD ARG A 63 -3.772 -4.074 -19.335 1.00 0.00 C ATOM 522 NE ARG A 63 -4.005 -3.555 -20.699 1.00 0.00 N ATOM 523 CZ ARG A 63 -4.327 -4.234 -21.787 1.00 0.00 C ATOM 524 NH1 ARG A 63 -4.492 -5.528 -21.786 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.498 -3.615 -22.920 1.00 0.00 N ATOM 0 H ARG A 63 -1.608 -2.071 -16.453 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.904 -3.533 -16.527 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.022 -4.155 -17.246 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.287 -5.335 -17.525 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.454 -2.510 -18.642 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.636 -3.801 -19.499 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.792 -5.164 -19.350 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.578 -3.749 -18.677 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.905 -2.547 -20.816 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.373 -6.057 -20.922 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.740 -6.011 -22.649 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.384 -2.603 -22.970 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.746 -4.143 -23.757 1.00 0.00 H new ATOM 539 N TYR A 64 -1.801 -4.868 -14.342 1.00 0.00 N ATOM 540 CA TYR A 64 -1.679 -5.865 -13.276 1.00 0.00 C ATOM 541 C TYR A 64 -2.634 -5.597 -12.104 1.00 0.00 C ATOM 542 O TYR A 64 -3.322 -6.490 -11.611 1.00 0.00 O ATOM 543 CB TYR A 64 -0.227 -5.902 -12.790 1.00 0.00 C ATOM 544 CG TYR A 64 0.211 -7.302 -12.406 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.254 -7.891 -11.214 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.002 -8.052 -13.297 1.00 0.00 C ATOM 547 CE1 TYR A 64 0.047 -9.236 -10.926 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.315 -9.394 -13.007 1.00 0.00 C ATOM 549 CZ TYR A 64 0.828 -9.995 -11.826 1.00 0.00 C ATOM 550 OH TYR A 64 1.095 -11.306 -11.573 1.00 0.00 O ATOM 0 H TYR A 64 -0.972 -4.284 -14.451 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.962 -6.834 -13.687 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.427 -5.520 -13.574 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.116 -5.240 -11.932 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.843 -7.310 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.370 -7.597 -14.205 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.320 -9.688 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.928 -9.964 -13.689 1.00 0.00 H new ATOM 0 HH TYR A 64 1.644 -11.674 -12.297 1.00 0.00 H new ATOM 560 N ILE A 65 -2.699 -4.335 -11.685 1.00 0.00 N ATOM 561 CA ILE A 65 -3.587 -3.818 -10.638 1.00 0.00 C ATOM 562 C ILE A 65 -5.046 -3.908 -11.086 1.00 0.00 C ATOM 563 O ILE A 65 -5.904 -4.352 -10.327 1.00 0.00 O ATOM 564 CB ILE A 65 -3.163 -2.378 -10.272 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.839 -2.366 -9.478 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.237 -1.572 -9.523 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.915 -2.939 -8.053 1.00 0.00 C ATOM 0 H ILE A 65 -2.106 -3.607 -12.084 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.500 -4.427 -9.738 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.019 -1.877 -11.229 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.095 -2.931 -10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.481 -1.338 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.857 -0.574 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.130 -1.493 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.486 -2.077 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.932 -2.883 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.630 -2.362 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.237 -3.979 -8.096 1.00 0.00 H new ATOM 579 N LEU A 66 -5.334 -3.546 -12.336 1.00 0.00 N ATOM 580 CA LEU A 66 -6.685 -3.533 -12.900 1.00 0.00 C ATOM 581 C LEU A 66 -7.192 -4.966 -13.121 1.00 0.00 C ATOM 582 O LEU A 66 -8.372 -5.242 -12.905 1.00 0.00 O ATOM 583 CB LEU A 66 -6.670 -2.686 -14.187 1.00 0.00 C ATOM 584 CG LEU A 66 -6.790 -1.153 -13.987 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.250 -0.566 -12.680 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.044 -0.406 -15.088 1.00 0.00 C ATOM 0 H LEU A 66 -4.620 -3.247 -13.000 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.389 -3.075 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.744 -2.892 -14.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.489 -3.015 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.871 -1.017 -13.990 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.400 0.514 -12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.779 -1.009 -11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.186 -0.785 -12.595 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.141 0.668 -14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.990 -0.683 -15.066 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.467 -0.669 -16.057 1.00 0.00 H new ATOM 598 N LYS A 67 -6.286 -5.896 -13.449 1.00 0.00 N ATOM 599 CA LYS A 67 -6.521 -7.343 -13.490 1.00 0.00 C ATOM 600 C LYS A 67 -6.843 -7.908 -12.106 1.00 0.00 C ATOM 601 O LYS A 67 -7.812 -8.649 -11.959 1.00 0.00 O ATOM 602 CB LYS A 67 -5.296 -8.027 -14.117 1.00 0.00 C ATOM 603 CG LYS A 67 -5.506 -9.529 -14.350 1.00 0.00 C ATOM 604 CD LYS A 67 -4.296 -10.145 -15.065 1.00 0.00 C ATOM 605 CE LYS A 67 -4.507 -11.651 -15.264 1.00 0.00 C ATOM 606 NZ LYS A 67 -3.351 -12.280 -15.956 1.00 0.00 N ATOM 0 H LYS A 67 -5.330 -5.649 -13.704 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.397 -7.545 -14.106 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.064 -7.546 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.433 -7.882 -13.467 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.664 -10.031 -13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.405 -9.687 -14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.150 -9.660 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.392 -9.971 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.656 -12.129 -14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.414 -11.818 -15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.529 -13.298 -16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.225 -11.841 -16.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.490 -12.142 -15.389 1.00 0.00 H new ATOM 620 N ALA A 68 -6.069 -7.532 -11.087 1.00 0.00 N ATOM 621 CA ALA A 68 -6.293 -7.946 -9.703 1.00 0.00 C ATOM 622 C ALA A 68 -7.629 -7.425 -9.145 1.00 0.00 C ATOM 623 O ALA A 68 -8.348 -8.149 -8.459 1.00 0.00 O ATOM 624 CB ALA A 68 -5.115 -7.465 -8.850 1.00 0.00 C ATOM 0 H ALA A 68 -5.259 -6.923 -11.202 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.356 -9.034 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.269 -7.767 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.191 -7.907 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.046 -6.379 -8.905 1.00 0.00 H new ATOM 630 N LEU A 69 -8.001 -6.186 -9.483 1.00 0.00 N ATOM 631 CA LEU A 69 -9.189 -5.483 -9.011 1.00 0.00 C ATOM 632 C LEU A 69 -10.509 -6.079 -9.519 1.00 0.00 C ATOM 633 O LEU A 69 -11.562 -5.822 -8.931 1.00 0.00 O ATOM 634 CB LEU A 69 -9.028 -4.010 -9.403 1.00 0.00 C ATOM 635 CG LEU A 69 -8.215 -3.192 -8.383 1.00 0.00 C ATOM 636 CD1 LEU A 69 -7.819 -1.840 -8.966 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.036 -2.901 -7.132 1.00 0.00 C ATOM 0 H LEU A 69 -7.449 -5.620 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.260 -5.591 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.540 -3.952 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.015 -3.561 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.335 -3.788 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.245 -1.279 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.212 -1.992 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.717 -1.280 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.436 -2.322 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.925 -2.332 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.334 -3.840 -6.666 1.00 0.00 H new ATOM 649 N ARG A 70 -10.449 -6.944 -10.538 1.00 0.00 N ATOM 650 CA ARG A 70 -11.546 -7.836 -10.937 1.00 0.00 C ATOM 651 C ARG A 70 -12.010 -8.743 -9.788 1.00 0.00 C ATOM 652 O ARG A 70 -13.206 -9.018 -9.671 1.00 0.00 O ATOM 653 CB ARG A 70 -11.149 -8.700 -12.149 1.00 0.00 C ATOM 654 CG ARG A 70 -10.811 -7.882 -13.404 1.00 0.00 C ATOM 655 CD ARG A 70 -10.384 -8.804 -14.552 1.00 0.00 C ATOM 656 NE ARG A 70 -10.049 -8.033 -15.765 1.00 0.00 N ATOM 657 CZ ARG A 70 -9.714 -8.518 -16.948 1.00 0.00 C ATOM 658 NH1 ARG A 70 -9.616 -9.799 -17.168 1.00 0.00 N ATOM 659 NH2 ARG A 70 -9.468 -7.717 -17.944 1.00 0.00 N ATOM 0 H ARG A 70 -9.619 -7.046 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.379 -7.190 -11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.287 -9.312 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.966 -9.384 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.678 -7.295 -13.706 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.011 -7.177 -13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.521 -9.395 -14.245 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.188 -9.506 -14.775 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.079 -7.017 -15.681 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.800 -10.461 -16.415 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.355 -10.139 -18.094 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.533 -6.707 -17.815 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.210 -8.099 -18.854 1.00 0.00 H new ATOM 673 N LYS A 71 -11.064 -9.215 -8.961 1.00 0.00 N ATOM 674 CA LYS A 71 -11.254 -10.184 -7.865 1.00 0.00 C ATOM 675 C LYS A 71 -10.112 -10.144 -6.827 1.00 0.00 C ATOM 676 O LYS A 71 -9.332 -11.091 -6.701 1.00 0.00 O ATOM 677 CB LYS A 71 -11.507 -11.596 -8.448 1.00 0.00 C ATOM 678 CG LYS A 71 -10.497 -12.058 -9.516 1.00 0.00 C ATOM 679 CD LYS A 71 -10.820 -13.478 -9.999 1.00 0.00 C ATOM 680 CE LYS A 71 -9.836 -13.899 -11.098 1.00 0.00 C ATOM 681 NZ LYS A 71 -10.135 -15.263 -11.607 1.00 0.00 N ATOM 0 H LYS A 71 -10.092 -8.916 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.142 -9.896 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.500 -12.316 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.506 -11.618 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.515 -11.370 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.488 -12.031 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.764 -14.176 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.841 -13.517 -10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.881 -13.185 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.819 -13.871 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.450 -15.515 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.068 -15.947 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.097 -15.283 -12.003 1.00 0.00 H new ATOM 695 N ILE A 72 -10.044 -9.060 -6.042 1.00 0.00 N ATOM 696 CA ILE A 72 -9.136 -8.925 -4.876 1.00 0.00 C ATOM 697 C ILE A 72 -9.310 -10.079 -3.864 1.00 0.00 C ATOM 698 O ILE A 72 -8.322 -10.565 -3.309 1.00 0.00 O ATOM 699 CB ILE A 72 -9.326 -7.548 -4.197 1.00 0.00 C ATOM 700 CG1 ILE A 72 -8.989 -6.378 -5.146 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.518 -7.395 -2.895 1.00 0.00 C ATOM 702 CD1 ILE A 72 -7.522 -6.266 -5.595 1.00 0.00 C ATOM 0 H ILE A 72 -10.624 -8.235 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.113 -8.988 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.385 -7.508 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.613 -6.468 -6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.268 -5.447 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.696 -6.407 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.829 -8.158 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.456 -7.511 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.409 -5.408 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.883 -6.137 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.233 -7.174 -6.125 1.00 0.00 H new ATOM 714 N GLU A 73 -10.556 -10.547 -3.677 1.00 0.00 N ATOM 715 CA GLU A 73 -10.999 -11.688 -2.843 1.00 0.00 C ATOM 716 C GLU A 73 -10.358 -11.755 -1.433 1.00 0.00 C ATOM 717 O GLU A 73 -10.808 -10.973 -0.564 1.00 0.00 O ATOM 718 CB GLU A 73 -10.881 -12.986 -3.670 1.00 0.00 C ATOM 719 CG GLU A 73 -11.656 -14.167 -3.064 1.00 0.00 C ATOM 720 CD GLU A 73 -11.539 -15.430 -3.948 1.00 0.00 C ATOM 721 OE1 GLU A 73 -10.601 -16.244 -3.746 1.00 0.00 O ATOM 722 OE2 GLU A 73 -12.392 -15.633 -4.848 1.00 0.00 O ATOM 0 H GLU A 73 -11.348 -10.103 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.049 -11.537 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.248 -12.800 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.829 -13.258 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.273 -14.382 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.706 -13.896 -2.951 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 15.869 7.091 -6.114 1.00 0.00 N ATOM 731 CA THR B 31 14.937 5.966 -6.319 1.00 0.00 C ATOM 732 C THR B 31 14.138 6.095 -7.626 1.00 0.00 C ATOM 733 O THR B 31 14.256 7.092 -8.345 1.00 0.00 O ATOM 734 CB THR B 31 14.010 5.874 -5.098 1.00 0.00 C ATOM 735 OG1 THR B 31 13.355 4.636 -5.060 1.00 0.00 O ATOM 736 CG2 THR B 31 12.959 6.978 -5.009 1.00 0.00 C ATOM 0 HA THR B 31 15.512 5.045 -6.417 1.00 0.00 H new ATOM 0 HB THR B 31 14.675 5.995 -4.243 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.771 4.599 -4.274 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.352 6.831 -4.116 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.454 7.948 -4.956 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.320 6.944 -5.892 1.00 0.00 H new ATOM 744 N ARG B 32 13.317 5.088 -7.938 1.00 0.00 N ATOM 745 CA ARG B 32 12.442 5.028 -9.128 1.00 0.00 C ATOM 746 C ARG B 32 11.030 5.542 -8.838 1.00 0.00 C ATOM 747 O ARG B 32 10.178 4.822 -8.316 1.00 0.00 O ATOM 748 CB ARG B 32 12.426 3.613 -9.744 1.00 0.00 C ATOM 749 CG ARG B 32 13.764 3.226 -10.391 1.00 0.00 C ATOM 750 CD ARG B 32 13.999 3.972 -11.713 1.00 0.00 C ATOM 751 NE ARG B 32 15.387 3.811 -12.178 1.00 0.00 N ATOM 752 CZ ARG B 32 15.897 4.246 -13.318 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.164 4.826 -14.227 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.168 4.116 -13.567 1.00 0.00 N ATOM 0 H ARG B 32 13.235 4.258 -7.351 1.00 0.00 H new ATOM 0 HA ARG B 32 12.868 5.702 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.180 2.888 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.637 3.558 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.578 3.446 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.782 2.151 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.313 3.596 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG B 32 13.778 5.031 -11.580 1.00 0.00 H new ATOM 0 HE ARG B 32 16.022 3.311 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.165 4.956 -14.070 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.590 5.150 -15.095 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.780 3.675 -12.880 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.552 4.455 -14.449 1.00 0.00 H new ATOM 768 N ALA B 33 10.785 6.797 -9.210 1.00 0.00 N ATOM 769 CA ALA B 33 9.474 7.421 -9.301 1.00 0.00 C ATOM 770 C ALA B 33 8.579 6.679 -10.313 1.00 0.00 C ATOM 771 O ALA B 33 8.921 6.531 -11.490 1.00 0.00 O ATOM 772 CB ALA B 33 9.668 8.892 -9.688 1.00 0.00 C ATOM 0 H ALA B 33 11.537 7.436 -9.469 1.00 0.00 H new ATOM 0 HA ALA B 33 8.966 7.365 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA B 33 8.696 9.380 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.268 9.392 -8.928 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.178 8.951 -10.650 1.00 0.00 H new ATOM 778 N VAL B 34 7.430 6.215 -9.834 1.00 0.00 N ATOM 779 CA VAL B 34 6.402 5.451 -10.552 1.00 0.00 C ATOM 780 C VAL B 34 5.037 6.074 -10.279 1.00 0.00 C ATOM 781 O VAL B 34 4.412 5.816 -9.255 1.00 0.00 O ATOM 782 CB VAL B 34 6.444 3.955 -10.183 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.307 3.173 -10.847 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.757 3.315 -10.652 1.00 0.00 C ATOM 0 H VAL B 34 7.168 6.372 -8.861 1.00 0.00 H new ATOM 0 HA VAL B 34 6.600 5.500 -11.623 1.00 0.00 H new ATOM 0 HB VAL B 34 6.349 3.908 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.372 2.123 -10.562 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.349 3.578 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.390 3.260 -11.930 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.764 2.259 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.843 3.412 -11.734 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.598 3.818 -10.175 1.00 0.00 H new ATOM 794 N SER B 35 4.601 6.937 -11.192 1.00 0.00 N ATOM 795 CA SER B 35 3.370 7.730 -11.078 1.00 0.00 C ATOM 796 C SER B 35 2.340 7.375 -12.143 1.00 0.00 C ATOM 797 O SER B 35 2.683 7.190 -13.315 1.00 0.00 O ATOM 798 CB SER B 35 3.687 9.224 -11.100 1.00 0.00 C ATOM 799 OG SER B 35 2.530 9.970 -10.758 1.00 0.00 O ATOM 0 H SER B 35 5.107 7.113 -12.060 1.00 0.00 H new ATOM 0 HA SER B 35 2.921 7.481 -10.117 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.492 9.444 -10.399 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.038 9.515 -12.090 1.00 0.00 H new ATOM 0 HG SER B 35 2.742 10.927 -10.773 1.00 0.00 H new ATOM 805 N LEU B 36 1.075 7.269 -11.726 1.00 0.00 N ATOM 806 CA LEU B 36 -0.055 6.855 -12.556 1.00 0.00 C ATOM 807 C LEU B 36 -1.257 7.793 -12.378 1.00 0.00 C ATOM 808 O LEU B 36 -1.360 8.520 -11.388 1.00 0.00 O ATOM 809 CB LEU B 36 -0.443 5.397 -12.228 1.00 0.00 C ATOM 810 CG LEU B 36 0.678 4.368 -12.488 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.400 3.969 -11.199 1.00 0.00 C ATOM 812 CD2 LEU B 36 0.115 3.097 -13.120 1.00 0.00 C ATOM 0 H LEU B 36 0.802 7.477 -10.766 1.00 0.00 H new ATOM 0 HA LEU B 36 0.250 6.913 -13.601 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.738 5.339 -11.180 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.316 5.123 -12.821 1.00 0.00 H new ATOM 0 HG LEU B 36 1.384 4.851 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.181 3.244 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.848 4.853 -10.745 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.686 3.526 -10.504 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.924 2.388 -13.293 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.620 2.652 -12.449 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.362 3.343 -14.069 1.00 0.00 H new ATOM 824 N TYR B 37 -2.184 7.720 -13.336 1.00 0.00 N ATOM 825 CA TYR B 37 -3.425 8.493 -13.407 1.00 0.00 C ATOM 826 C TYR B 37 -4.622 7.543 -13.514 1.00 0.00 C ATOM 827 O TYR B 37 -5.000 7.080 -14.594 1.00 0.00 O ATOM 828 CB TYR B 37 -3.362 9.498 -14.568 1.00 0.00 C ATOM 829 CG TYR B 37 -2.320 10.606 -14.464 1.00 0.00 C ATOM 830 CD1 TYR B 37 -1.939 11.149 -13.219 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.774 11.143 -15.645 1.00 0.00 C ATOM 832 CE1 TYR B 37 -0.993 12.190 -13.149 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.849 12.201 -15.582 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.446 12.723 -14.334 1.00 0.00 C ATOM 835 OH TYR B 37 0.456 13.741 -14.265 1.00 0.00 O ATOM 0 H TYR B 37 -2.082 7.084 -14.127 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.551 9.074 -12.494 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.177 8.943 -15.488 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.343 9.963 -14.668 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -2.377 10.763 -12.311 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -2.067 10.741 -16.604 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.687 12.579 -12.189 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.445 12.616 -16.494 1.00 0.00 H new ATOM 0 HH TYR B 37 0.736 13.992 -15.170 1.00 0.00 H new ATOM 845 N PHE B 38 -5.177 7.179 -12.363 1.00 0.00 N ATOM 846 CA PHE B 38 -6.388 6.389 -12.227 1.00 0.00 C ATOM 847 C PHE B 38 -7.662 7.226 -12.427 1.00 0.00 C ATOM 848 O PHE B 38 -7.612 8.451 -12.556 1.00 0.00 O ATOM 849 CB PHE B 38 -6.335 5.787 -10.827 1.00 0.00 C ATOM 850 CG PHE B 38 -5.290 4.698 -10.667 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.549 3.384 -11.104 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.068 4.984 -10.044 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.644 2.345 -10.836 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.139 3.953 -9.834 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.417 2.637 -10.233 1.00 0.00 C ATOM 0 H PHE B 38 -4.775 7.440 -11.462 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.432 5.619 -12.998 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -6.132 6.581 -10.108 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.314 5.377 -10.581 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.455 3.173 -11.652 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.842 5.992 -9.727 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.894 1.327 -11.094 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.196 4.176 -9.358 1.00 0.00 H new ATOM 0 HZ PHE B 38 -2.689 1.855 -10.075 1.00 0.00 H new ATOM 865 N SER B 39 -8.814 6.555 -12.405 1.00 0.00 N ATOM 866 CA SER B 39 -10.137 7.184 -12.334 1.00 0.00 C ATOM 867 C SER B 39 -10.804 6.928 -10.985 1.00 0.00 C ATOM 868 O SER B 39 -10.292 6.165 -10.168 1.00 0.00 O ATOM 869 CB SER B 39 -11.022 6.715 -13.499 1.00 0.00 C ATOM 870 OG SER B 39 -10.461 7.093 -14.747 1.00 0.00 O ATOM 0 H SER B 39 -8.856 5.536 -12.437 1.00 0.00 H new ATOM 0 HA SER B 39 -10.004 8.262 -12.426 1.00 0.00 H new ATOM 0 HB2 SER B 39 -11.136 5.632 -13.461 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.019 7.144 -13.399 1.00 0.00 H new ATOM 0 HG SER B 39 -11.041 6.782 -15.474 1.00 0.00 H new ATOM 876 N ASP B 40 -11.936 7.582 -10.723 1.00 0.00 N ATOM 877 CA ASP B 40 -12.567 7.566 -9.400 1.00 0.00 C ATOM 878 C ASP B 40 -12.919 6.153 -8.909 1.00 0.00 C ATOM 879 O ASP B 40 -12.739 5.878 -7.730 1.00 0.00 O ATOM 880 CB ASP B 40 -13.789 8.492 -9.379 1.00 0.00 C ATOM 881 CG ASP B 40 -13.375 9.964 -9.521 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.634 10.464 -8.641 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.780 10.617 -10.512 1.00 0.00 O ATOM 0 H ASP B 40 -12.440 8.135 -11.416 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.828 7.944 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.466 8.223 -10.189 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.337 8.354 -8.447 1.00 0.00 H new ATOM 888 N GLU B 41 -13.338 5.230 -9.781 1.00 0.00 N ATOM 889 CA GLU B 41 -13.589 3.824 -9.425 1.00 0.00 C ATOM 890 C GLU B 41 -12.326 3.123 -8.896 1.00 0.00 C ATOM 891 O GLU B 41 -12.291 2.674 -7.751 1.00 0.00 O ATOM 892 CB GLU B 41 -14.136 3.085 -10.655 1.00 0.00 C ATOM 893 CG GLU B 41 -15.507 3.605 -11.105 1.00 0.00 C ATOM 894 CD GLU B 41 -16.661 2.818 -10.454 1.00 0.00 C ATOM 895 OE1 GLU B 41 -17.020 3.113 -9.288 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.220 1.901 -11.105 1.00 0.00 O ATOM 0 H GLU B 41 -13.515 5.437 -10.764 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.322 3.803 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.428 3.185 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.213 2.022 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.597 4.661 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.585 3.533 -12.190 1.00 0.00 H new ATOM 903 N GLN B 42 -11.276 3.081 -9.720 1.00 0.00 N ATOM 904 CA GLN B 42 -9.908 2.627 -9.405 1.00 0.00 C ATOM 905 C GLN B 42 -9.387 3.231 -8.089 1.00 0.00 C ATOM 906 O GLN B 42 -8.929 2.505 -7.205 1.00 0.00 O ATOM 907 CB GLN B 42 -9.014 2.982 -10.592 1.00 0.00 C ATOM 908 CG GLN B 42 -9.316 2.147 -11.857 1.00 0.00 C ATOM 909 CD GLN B 42 -9.018 2.884 -13.166 1.00 0.00 C ATOM 910 OE1 GLN B 42 -8.164 3.755 -13.261 1.00 0.00 O ATOM 911 NE2 GLN B 42 -9.729 2.585 -14.231 1.00 0.00 N ATOM 0 H GLN B 42 -11.358 3.382 -10.691 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.904 1.548 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -9.136 4.040 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.972 2.836 -10.309 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.728 1.229 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.366 1.854 -11.846 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.447 1.863 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -9.562 3.075 -15.110 1.00 0.00 H new ATOM 920 N TYR B 43 -9.493 4.554 -7.931 1.00 0.00 N ATOM 921 CA TYR B 43 -9.018 5.288 -6.755 1.00 0.00 C ATOM 922 C TYR B 43 -9.792 4.921 -5.480 1.00 0.00 C ATOM 923 O TYR B 43 -9.194 4.682 -4.430 1.00 0.00 O ATOM 924 CB TYR B 43 -9.122 6.786 -7.052 1.00 0.00 C ATOM 925 CG TYR B 43 -8.411 7.673 -6.049 1.00 0.00 C ATOM 926 CD1 TYR B 43 -7.018 7.857 -6.149 1.00 0.00 C ATOM 927 CD2 TYR B 43 -9.134 8.329 -5.034 1.00 0.00 C ATOM 928 CE1 TYR B 43 -6.354 8.720 -5.259 1.00 0.00 C ATOM 929 CE2 TYR B 43 -8.470 9.178 -4.128 1.00 0.00 C ATOM 930 CZ TYR B 43 -7.076 9.380 -4.241 1.00 0.00 C ATOM 931 OH TYR B 43 -6.425 10.211 -3.380 1.00 0.00 O ATOM 0 H TYR B 43 -9.921 5.157 -8.633 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.981 5.012 -6.562 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.711 6.977 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -10.175 7.066 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.459 7.334 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -10.200 8.180 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -5.290 8.878 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -9.026 9.675 -3.347 1.00 0.00 H new ATOM 0 HH TYR B 43 -7.066 10.587 -2.741 1.00 0.00 H new ATOM 941 N GLN B 44 -11.123 4.832 -5.566 1.00 0.00 N ATOM 942 CA GLN B 44 -11.977 4.465 -4.437 1.00 0.00 C ATOM 943 C GLN B 44 -11.832 2.991 -4.048 1.00 0.00 C ATOM 944 O GLN B 44 -11.891 2.672 -2.863 1.00 0.00 O ATOM 945 CB GLN B 44 -13.455 4.802 -4.705 1.00 0.00 C ATOM 946 CG GLN B 44 -13.923 6.100 -4.024 1.00 0.00 C ATOM 947 CD GLN B 44 -13.131 7.369 -4.354 1.00 0.00 C ATOM 948 OE1 GLN B 44 -12.741 8.131 -3.479 1.00 0.00 O ATOM 949 NE2 GLN B 44 -12.892 7.685 -5.606 1.00 0.00 N ATOM 0 H GLN B 44 -11.639 5.014 -6.427 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.634 5.065 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.610 4.889 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -14.076 3.976 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.966 6.269 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.892 5.949 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -13.205 7.069 -6.356 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.393 8.546 -5.828 1.00 0.00 H new ATOM 958 N LYS B 45 -11.600 2.085 -5.004 1.00 0.00 N ATOM 959 CA LYS B 45 -11.262 0.689 -4.718 1.00 0.00 C ATOM 960 C LYS B 45 -9.949 0.586 -3.942 1.00 0.00 C ATOM 961 O LYS B 45 -9.899 -0.112 -2.931 1.00 0.00 O ATOM 962 CB LYS B 45 -11.239 -0.129 -6.022 1.00 0.00 C ATOM 963 CG LYS B 45 -12.308 -1.234 -6.035 1.00 0.00 C ATOM 964 CD LYS B 45 -13.739 -0.673 -6.136 1.00 0.00 C ATOM 965 CE LYS B 45 -14.811 -1.764 -5.986 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.816 -2.728 -7.120 1.00 0.00 N ATOM 0 H LYS B 45 -11.642 2.301 -6.000 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.034 0.264 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.398 0.538 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.254 -0.578 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.124 -1.903 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.219 -1.831 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.885 0.083 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.864 -0.175 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.643 -2.306 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.792 -1.295 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.558 -3.441 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.003 -2.219 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -13.891 -3.199 -7.180 1.00 0.00 H new ATOM 980 N LEU B 46 -8.922 1.346 -4.338 1.00 0.00 N ATOM 981 CA LEU B 46 -7.677 1.463 -3.589 1.00 0.00 C ATOM 982 C LEU B 46 -7.881 2.013 -2.175 1.00 0.00 C ATOM 983 O LEU B 46 -7.331 1.470 -1.224 1.00 0.00 O ATOM 984 CB LEU B 46 -6.712 2.327 -4.397 1.00 0.00 C ATOM 985 CG LEU B 46 -5.704 1.515 -5.207 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.560 1.028 -4.297 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.269 0.335 -5.999 1.00 0.00 C ATOM 0 H LEU B 46 -8.937 1.899 -5.195 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.258 0.467 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.284 2.962 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.173 2.989 -3.719 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.344 2.212 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.848 0.450 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.054 1.887 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.968 0.401 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.461 -0.165 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -6.742 -0.369 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.007 0.697 -6.714 1.00 0.00 H new ATOM 999 N GLU B 47 -8.701 3.049 -2.013 1.00 0.00 N ATOM 1000 CA GLU B 47 -9.106 3.564 -0.697 1.00 0.00 C ATOM 1001 C GLU B 47 -9.826 2.511 0.164 1.00 0.00 C ATOM 1002 O GLU B 47 -9.525 2.372 1.351 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.916 4.854 -0.888 1.00 0.00 C ATOM 1004 CG GLU B 47 -10.246 5.612 0.408 1.00 0.00 C ATOM 1005 CD GLU B 47 -11.497 5.096 1.155 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -12.541 4.827 0.513 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -11.464 5.018 2.407 1.00 0.00 O ATOM 0 H GLU B 47 -9.109 3.562 -2.794 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.210 3.806 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.361 5.519 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.849 4.608 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -9.388 5.551 1.078 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -10.390 6.666 0.170 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.719 1.712 -0.434 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.456 0.638 0.247 1.00 0.00 C ATOM 1016 C LYS B 48 -10.560 -0.528 0.673 1.00 0.00 C ATOM 1017 O LYS B 48 -10.797 -1.134 1.718 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.629 0.158 -0.626 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.803 1.144 -0.539 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.933 0.775 -1.512 1.00 0.00 C ATOM 1021 CE LYS B 48 -16.211 1.583 -1.240 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.023 3.044 -1.450 1.00 0.00 N ATOM 0 H LYS B 48 -10.954 1.795 -1.423 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.854 1.059 1.170 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.303 0.062 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.952 -0.831 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -14.191 1.158 0.480 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.449 2.151 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.603 0.952 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.152 -0.289 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -17.007 1.226 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.536 1.406 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.915 3.541 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.283 3.394 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.739 3.219 -2.435 1.00 0.00 H new ATOM 1036 N MET B 49 -9.505 -0.809 -0.089 1.00 0.00 N ATOM 1037 CA MET B 49 -8.440 -1.748 0.234 1.00 0.00 C ATOM 1038 C MET B 49 -7.530 -1.196 1.342 1.00 0.00 C ATOM 1039 O MET B 49 -7.244 -1.884 2.321 1.00 0.00 O ATOM 1040 CB MET B 49 -7.661 -1.968 -1.064 1.00 0.00 C ATOM 1041 CG MET B 49 -8.343 -2.979 -1.993 1.00 0.00 C ATOM 1042 SD MET B 49 -7.922 -2.803 -3.750 1.00 0.00 S ATOM 1043 CE MET B 49 -6.114 -2.836 -3.692 1.00 0.00 C ATOM 0 H MET B 49 -9.365 -0.363 -0.996 1.00 0.00 H new ATOM 0 HA MET B 49 -8.844 -2.686 0.615 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.552 -1.017 -1.585 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.656 -2.318 -0.826 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.077 -3.985 -1.669 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.423 -2.883 -1.881 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.715 -2.719 -4.700 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.755 -2.021 -3.063 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.781 -3.788 -3.278 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.120 0.069 1.228 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.230 0.766 2.151 1.00 0.00 C ATOM 1055 C ALA B 50 -6.788 0.903 3.572 1.00 0.00 C ATOM 1056 O ALA B 50 -6.002 1.043 4.501 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.866 2.132 1.562 1.00 0.00 C ATOM 0 H ALA B 50 -7.415 0.661 0.452 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.335 0.154 2.260 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.201 2.658 2.247 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.365 1.993 0.604 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.773 2.718 1.415 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.099 0.783 3.784 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.701 0.632 5.112 1.00 0.00 C ATOM 1065 C ASN B 51 -8.120 -0.558 5.906 1.00 0.00 C ATOM 1066 O ASN B 51 -8.039 -0.498 7.132 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.218 0.542 4.909 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.000 0.294 6.192 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.374 1.207 6.913 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.312 -0.946 6.499 1.00 0.00 N ATOM 0 H ASN B 51 -8.784 0.788 3.028 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.461 1.494 5.734 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.569 1.468 4.455 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.433 -0.261 4.203 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.863 -1.141 7.335 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.003 -1.713 5.901 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.640 -1.608 5.230 1.00 0.00 N ATOM 1078 CA GLU B 52 -6.927 -2.731 5.852 1.00 0.00 C ATOM 1079 C GLU B 52 -5.515 -2.338 6.347 1.00 0.00 C ATOM 1080 O GLU B 52 -5.041 -2.837 7.368 1.00 0.00 O ATOM 1081 CB GLU B 52 -6.865 -3.903 4.857 1.00 0.00 C ATOM 1082 CG GLU B 52 -6.505 -5.257 5.485 1.00 0.00 C ATOM 1083 CD GLU B 52 -7.624 -5.785 6.408 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -8.600 -6.388 5.901 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -7.532 -5.611 7.648 1.00 0.00 O ATOM 0 H GLU B 52 -7.737 -1.703 4.219 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.480 -3.035 6.740 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -7.832 -3.993 4.361 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.132 -3.669 4.085 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -6.315 -5.983 4.695 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -5.582 -5.157 6.056 1.00 0.00 H new ATOM 1092 N GLU B 53 -4.858 -1.394 5.663 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.623 -0.710 6.067 1.00 0.00 C ATOM 1094 C GLU B 53 -3.883 0.526 6.964 1.00 0.00 C ATOM 1095 O GLU B 53 -2.943 1.215 7.365 1.00 0.00 O ATOM 1096 CB GLU B 53 -2.865 -0.315 4.786 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.078 -1.474 4.154 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.852 -1.870 5.001 1.00 0.00 C ATOM 1099 OE1 GLU B 53 0.208 -1.209 4.883 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.934 -2.850 5.780 1.00 0.00 O ATOM 0 H GLU B 53 -5.195 -1.067 4.757 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.027 -1.389 6.676 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.578 0.070 4.056 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.176 0.497 5.018 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.734 -2.337 4.039 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.751 -1.187 3.155 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.149 0.793 7.308 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.643 1.910 8.132 1.00 0.00 C ATOM 1109 C GLU B 54 -5.534 3.285 7.424 1.00 0.00 C ATOM 1110 O GLU B 54 -5.135 4.295 8.008 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.043 1.847 9.552 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.975 2.471 10.597 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.328 2.453 11.997 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.478 1.443 12.728 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.672 3.452 12.386 1.00 0.00 O ATOM 0 H GLU B 54 -5.912 0.192 6.997 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.719 1.791 8.261 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -4.846 0.808 9.816 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.085 2.367 9.564 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.209 3.497 10.314 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -6.918 1.924 10.621 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.919 3.303 6.142 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.969 4.412 5.175 1.00 0.00 C ATOM 1124 C GLU B 55 -4.651 5.197 4.973 1.00 0.00 C ATOM 1125 O GLU B 55 -4.277 6.068 5.762 1.00 0.00 O ATOM 1126 CB GLU B 55 -7.151 5.365 5.418 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.520 4.702 5.641 1.00 0.00 C ATOM 1128 CD GLU B 55 -8.825 4.479 7.138 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -9.215 5.454 7.829 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -8.710 3.332 7.628 1.00 0.00 O ATOM 0 H GLU B 55 -6.241 2.440 5.704 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.131 3.895 4.229 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.922 5.980 6.288 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -7.231 6.038 4.564 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -9.299 5.326 5.203 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.547 3.745 5.120 1.00 0.00 H new ATOM 1137 N SER B 56 -3.968 4.924 3.853 1.00 0.00 N ATOM 1138 CA SER B 56 -2.779 5.660 3.383 1.00 0.00 C ATOM 1139 C SER B 56 -2.834 5.916 1.868 1.00 0.00 C ATOM 1140 O SER B 56 -2.679 7.056 1.424 1.00 0.00 O ATOM 1141 CB SER B 56 -1.511 4.897 3.788 1.00 0.00 C ATOM 1142 OG SER B 56 -0.353 5.654 3.479 1.00 0.00 O ATOM 0 H SER B 56 -4.233 4.163 3.228 1.00 0.00 H new ATOM 0 HA SER B 56 -2.761 6.640 3.859 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.536 4.680 4.856 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.475 3.939 3.269 1.00 0.00 H new ATOM 0 HG SER B 56 0.446 5.153 3.746 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.172 4.868 1.098 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.451 4.825 -0.355 1.00 0.00 C ATOM 1150 C VAL B 57 -2.189 5.004 -1.219 1.00 0.00 C ATOM 1151 O VAL B 57 -1.270 5.754 -0.892 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.589 5.794 -0.769 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.057 5.567 -2.214 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.832 5.627 0.117 1.00 0.00 C ATOM 0 H VAL B 57 -3.267 3.941 1.512 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.810 3.816 -0.556 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.159 6.790 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.854 6.271 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.221 5.721 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.429 4.548 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.605 6.324 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.205 4.606 0.032 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.569 5.832 1.155 1.00 0.00 H new ATOM 1164 N GLY B 58 -2.112 4.246 -2.316 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.955 4.140 -3.218 1.00 0.00 C ATOM 1166 C GLY B 58 0.060 3.118 -2.709 1.00 0.00 C ATOM 1167 O GLY B 58 0.531 2.264 -3.456 1.00 0.00 O ATOM 0 H GLY B 58 -2.891 3.660 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -1.294 3.853 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.476 5.114 -3.313 1.00 0.00 H new ATOM 1171 N SER B 59 0.332 3.129 -1.407 1.00 0.00 N ATOM 1172 CA SER B 59 1.192 2.158 -0.723 1.00 0.00 C ATOM 1173 C SER B 59 0.677 0.726 -0.879 1.00 0.00 C ATOM 1174 O SER B 59 1.462 -0.198 -1.091 1.00 0.00 O ATOM 1175 CB SER B 59 1.279 2.522 0.758 1.00 0.00 C ATOM 1176 OG SER B 59 1.829 3.818 0.918 1.00 0.00 O ATOM 0 H SER B 59 -0.050 3.834 -0.776 1.00 0.00 H new ATOM 0 HA SER B 59 2.180 2.199 -1.181 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.287 2.484 1.207 1.00 0.00 H new ATOM 0 HB3 SER B 59 1.895 1.792 1.283 1.00 0.00 H new ATOM 0 HG SER B 59 1.877 4.038 1.872 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.650 0.549 -0.862 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.313 -0.723 -1.156 1.00 0.00 C ATOM 1184 C TYR B 60 -1.036 -1.205 -2.587 1.00 0.00 C ATOM 1185 O TYR B 60 -0.759 -2.382 -2.799 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.823 -0.577 -0.921 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.483 -1.851 -0.434 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.768 -2.897 -1.333 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.806 -1.994 0.928 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.407 -4.069 -0.879 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.430 -3.167 1.387 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.743 -4.205 0.485 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.348 -5.334 0.944 1.00 0.00 O ATOM 0 H TYR B 60 -1.303 1.301 -0.639 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.906 -1.478 -0.484 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.995 0.214 -0.191 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.299 -0.262 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.496 -2.801 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.574 -1.200 1.623 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.639 -4.862 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.671 -3.274 2.434 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.504 -5.253 1.908 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.057 -0.283 -3.559 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.723 -0.530 -4.979 1.00 0.00 C ATOM 1205 C ILE B 61 0.683 -1.112 -5.083 1.00 0.00 C ATOM 1206 O ILE B 61 0.882 -2.162 -5.698 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.912 0.761 -5.832 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.029 0.566 -6.873 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.328 1.308 -6.578 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.737 1.890 -7.161 1.00 0.00 C ATOM 0 H ILE B 61 -1.314 0.687 -3.379 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.413 -1.266 -5.392 1.00 0.00 H new ATOM 0 HB ILE B 61 -1.156 1.506 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.608 0.165 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.750 -0.165 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.053 2.207 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.109 1.550 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE B 61 0.697 0.554 -7.273 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.523 1.729 -7.899 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -3.177 2.275 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.017 2.611 -7.548 1.00 0.00 H new ATOM 1222 N LYS B 62 1.644 -0.463 -4.414 1.00 0.00 N ATOM 1223 CA LYS B 62 3.030 -0.919 -4.371 1.00 0.00 C ATOM 1224 C LYS B 62 3.102 -2.307 -3.741 1.00 0.00 C ATOM 1225 O LYS B 62 3.577 -3.242 -4.373 1.00 0.00 O ATOM 1226 CB LYS B 62 3.915 0.125 -3.660 1.00 0.00 C ATOM 1227 CG LYS B 62 5.310 0.169 -4.307 1.00 0.00 C ATOM 1228 CD LYS B 62 6.279 1.212 -3.722 1.00 0.00 C ATOM 1229 CE LYS B 62 7.144 0.730 -2.545 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.395 0.619 -1.263 1.00 0.00 N ATOM 0 H LYS B 62 1.477 0.395 -3.888 1.00 0.00 H new ATOM 0 HA LYS B 62 3.424 -1.015 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.448 1.108 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.004 -0.123 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.766 -0.817 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.191 0.366 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.940 1.555 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.700 2.076 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.571 -0.242 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.978 1.419 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.064 0.456 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.870 1.500 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.728 -0.177 -1.319 1.00 0.00 H new ATOM 1244 N ARG B 63 2.555 -2.477 -2.534 1.00 0.00 N ATOM 1245 CA ARG B 63 2.543 -3.754 -1.801 1.00 0.00 C ATOM 1246 C ARG B 63 1.967 -4.905 -2.631 1.00 0.00 C ATOM 1247 O ARG B 63 2.537 -5.988 -2.617 1.00 0.00 O ATOM 1248 CB ARG B 63 1.821 -3.572 -0.455 1.00 0.00 C ATOM 1249 CG ARG B 63 2.076 -4.757 0.491 1.00 0.00 C ATOM 1250 CD ARG B 63 1.562 -4.495 1.913 1.00 0.00 C ATOM 1251 NE ARG B 63 0.084 -4.477 1.979 1.00 0.00 N ATOM 1252 CZ ARG B 63 -0.704 -5.213 2.744 1.00 0.00 C ATOM 1253 NH1 ARG B 63 -0.241 -6.100 3.581 1.00 0.00 N ATOM 1254 NH2 ARG B 63 -1.996 -5.078 2.674 1.00 0.00 N ATOM 0 H ARG B 63 2.099 -1.719 -2.026 1.00 0.00 H new ATOM 0 HA ARG B 63 3.574 -4.042 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.159 -2.650 0.018 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.750 -3.468 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.591 -5.648 0.091 1.00 0.00 H new ATOM 0 HG3 ARG B 63 3.145 -4.965 0.527 1.00 0.00 H new ATOM 0 HD2 ARG B 63 1.944 -5.265 2.583 1.00 0.00 H new ATOM 0 HD3 ARG B 63 1.951 -3.541 2.268 1.00 0.00 H new ATOM 0 HE ARG B 63 -0.384 -3.816 1.359 1.00 0.00 H new ATOM 0 HH11 ARG B 63 0.765 -6.247 3.664 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -0.885 -6.647 4.153 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -2.404 -4.403 2.027 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -2.601 -5.647 3.266 1.00 0.00 H new ATOM 1268 N TYR B 64 0.909 -4.676 -3.409 1.00 0.00 N ATOM 1269 CA TYR B 64 0.256 -5.679 -4.260 1.00 0.00 C ATOM 1270 C TYR B 64 1.151 -6.153 -5.412 1.00 0.00 C ATOM 1271 O TYR B 64 1.300 -7.348 -5.664 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.048 -5.104 -4.828 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.128 -6.154 -5.007 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.052 -7.089 -6.058 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.177 -6.235 -4.072 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.013 -8.113 -6.163 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.150 -7.248 -4.182 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.068 -8.194 -5.225 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.000 -9.183 -5.314 1.00 0.00 O ATOM 0 H TYR B 64 0.466 -3.759 -3.468 1.00 0.00 H new ATOM 0 HA TYR B 64 0.050 -6.546 -3.633 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.415 -4.323 -4.162 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.843 -4.633 -5.790 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.256 -7.020 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.236 -5.518 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -2.944 -8.837 -6.961 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.958 -7.300 -3.468 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.650 -9.086 -4.587 1.00 0.00 H new ATOM 1289 N ILE B 65 1.774 -5.196 -6.098 1.00 0.00 N ATOM 1290 CA ILE B 65 2.744 -5.408 -7.178 1.00 0.00 C ATOM 1291 C ILE B 65 3.964 -6.149 -6.631 1.00 0.00 C ATOM 1292 O ILE B 65 4.416 -7.124 -7.225 1.00 0.00 O ATOM 1293 CB ILE B 65 3.125 -4.055 -7.822 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.991 -3.472 -8.693 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.424 -4.107 -8.640 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.725 -4.200 -10.020 1.00 0.00 C ATOM 0 H ILE B 65 1.611 -4.207 -5.910 1.00 0.00 H new ATOM 0 HA ILE B 65 2.302 -6.025 -7.960 1.00 0.00 H new ATOM 0 HB ILE B 65 3.294 -3.392 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.071 -3.475 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.226 -2.430 -8.913 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.628 -3.123 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.250 -4.403 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.317 -4.832 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.910 -3.706 -10.549 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.624 -4.175 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.452 -5.236 -9.818 1.00 0.00 H new ATOM 1308 N LEU B 66 4.464 -5.735 -5.465 1.00 0.00 N ATOM 1309 CA LEU B 66 5.643 -6.313 -4.818 1.00 0.00 C ATOM 1310 C LEU B 66 5.349 -7.738 -4.330 1.00 0.00 C ATOM 1311 O LEU B 66 6.191 -8.626 -4.457 1.00 0.00 O ATOM 1312 CB LEU B 66 6.072 -5.379 -3.672 1.00 0.00 C ATOM 1313 CG LEU B 66 6.969 -4.189 -4.080 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.691 -3.524 -5.436 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.864 -3.108 -3.005 1.00 0.00 C ATOM 0 H LEU B 66 4.050 -4.970 -4.932 1.00 0.00 H new ATOM 0 HA LEU B 66 6.465 -6.397 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.175 -4.987 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.601 -5.970 -2.925 1.00 0.00 H new ATOM 0 HG LEU B 66 7.960 -4.631 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.394 -2.706 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.808 -4.259 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.673 -3.135 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.492 -2.260 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.828 -2.779 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.197 -3.512 -2.049 1.00 0.00 H new ATOM 1327 N LYS B 67 4.124 -7.977 -3.845 1.00 0.00 N ATOM 1328 CA LYS B 67 3.593 -9.292 -3.476 1.00 0.00 C ATOM 1329 C LYS B 67 3.515 -10.230 -4.681 1.00 0.00 C ATOM 1330 O LYS B 67 3.951 -11.377 -4.594 1.00 0.00 O ATOM 1331 CB LYS B 67 2.228 -9.101 -2.796 1.00 0.00 C ATOM 1332 CG LYS B 67 1.658 -10.404 -2.218 1.00 0.00 C ATOM 1333 CD LYS B 67 0.378 -10.123 -1.415 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.219 -11.391 -0.789 1.00 0.00 C ATOM 1335 NZ LYS B 67 -0.838 -12.292 -1.798 1.00 0.00 N ATOM 0 H LYS B 67 3.449 -7.227 -3.693 1.00 0.00 H new ATOM 0 HA LYS B 67 4.272 -9.773 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS B 67 2.326 -8.368 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.522 -8.691 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.441 -11.103 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.400 -10.879 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS B 67 0.599 -9.403 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.362 -9.662 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS B 67 0.564 -11.932 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -0.970 -11.108 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -1.225 -13.132 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.604 -11.789 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -0.118 -12.586 -2.489 1.00 0.00 H new ATOM 1349 N ALA B 68 3.006 -9.736 -5.810 1.00 0.00 N ATOM 1350 CA ALA B 68 2.934 -10.486 -7.064 1.00 0.00 C ATOM 1351 C ALA B 68 4.326 -10.815 -7.636 1.00 0.00 C ATOM 1352 O ALA B 68 4.548 -11.924 -8.122 1.00 0.00 O ATOM 1353 CB ALA B 68 2.094 -9.684 -8.063 1.00 0.00 C ATOM 0 H ALA B 68 2.627 -8.792 -5.880 1.00 0.00 H new ATOM 0 HA ALA B 68 2.461 -11.448 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA B 68 2.030 -10.229 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA B 68 1.092 -9.537 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.562 -8.715 -8.236 1.00 0.00 H new ATOM 1359 N LEU B 69 5.285 -9.886 -7.538 1.00 0.00 N ATOM 1360 CA LEU B 69 6.627 -9.956 -8.131 1.00 0.00 C ATOM 1361 C LEU B 69 7.432 -11.165 -7.650 1.00 0.00 C ATOM 1362 O LEU B 69 8.245 -11.711 -8.397 1.00 0.00 O ATOM 1363 CB LEU B 69 7.380 -8.650 -7.798 1.00 0.00 C ATOM 1364 CG LEU B 69 7.823 -7.829 -9.017 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.665 -7.134 -9.728 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.778 -6.732 -8.553 1.00 0.00 C ATOM 0 H LEU B 69 5.139 -9.021 -7.017 1.00 0.00 H new ATOM 0 HA LEU B 69 6.511 -10.075 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.739 -8.028 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.261 -8.897 -7.205 1.00 0.00 H new ATOM 0 HG LEU B 69 8.286 -8.531 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.046 -6.571 -10.580 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.951 -7.881 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.169 -6.453 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.099 -6.142 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.269 -6.085 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.648 -7.184 -8.078 1.00 0.00 H new ATOM 1378 N ARG B 70 7.153 -11.606 -6.419 1.00 0.00 N ATOM 1379 CA ARG B 70 7.695 -12.818 -5.794 1.00 0.00 C ATOM 1380 C ARG B 70 7.465 -14.081 -6.637 1.00 0.00 C ATOM 1381 O ARG B 70 8.315 -14.973 -6.638 1.00 0.00 O ATOM 1382 CB ARG B 70 7.091 -13.003 -4.390 1.00 0.00 C ATOM 1383 CG ARG B 70 7.491 -11.886 -3.412 1.00 0.00 C ATOM 1384 CD ARG B 70 6.732 -12.023 -2.087 1.00 0.00 C ATOM 1385 NE ARG B 70 7.106 -10.952 -1.140 1.00 0.00 N ATOM 1386 CZ ARG B 70 8.045 -10.981 -0.210 1.00 0.00 C ATOM 1387 NH1 ARG B 70 8.806 -12.022 -0.019 1.00 0.00 N ATOM 1388 NH2 ARG B 70 8.243 -9.948 0.559 1.00 0.00 N ATOM 0 H ARG B 70 6.514 -11.105 -5.802 1.00 0.00 H new ATOM 0 HA ARG B 70 8.774 -12.680 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG B 70 6.004 -13.037 -4.470 1.00 0.00 H new ATOM 0 HB3 ARG B 70 7.411 -13.964 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG B 70 8.564 -11.926 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG B 70 7.280 -10.914 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.659 -11.987 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.945 -12.995 -1.642 1.00 0.00 H new ATOM 0 HE ARG B 70 6.575 -10.084 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG B 70 8.688 -12.853 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG B 70 9.520 -12.005 0.709 1.00 0.00 H new ATOM 0 HH21 ARG B 70 7.672 -9.111 0.445 1.00 0.00 H new ATOM 0 HH22 ARG B 70 8.969 -9.977 1.275 1.00 0.00 H new ATOM 1402 N LYS B 71 6.322 -14.155 -7.336 1.00 0.00 N ATOM 1403 CA LYS B 71 5.857 -15.310 -8.126 1.00 0.00 C ATOM 1404 C LYS B 71 4.811 -14.937 -9.199 1.00 0.00 C ATOM 1405 O LYS B 71 3.705 -15.481 -9.215 1.00 0.00 O ATOM 1406 CB LYS B 71 5.389 -16.438 -7.173 1.00 0.00 C ATOM 1407 CG LYS B 71 4.354 -16.013 -6.115 1.00 0.00 C ATOM 1408 CD LYS B 71 3.925 -17.218 -5.267 1.00 0.00 C ATOM 1409 CE LYS B 71 2.933 -16.780 -4.185 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.503 -17.929 -3.343 1.00 0.00 N ATOM 0 H LYS B 71 5.665 -13.376 -7.369 1.00 0.00 H new ATOM 0 HA LYS B 71 6.700 -15.687 -8.705 1.00 0.00 H new ATOM 0 HB2 LYS B 71 4.964 -17.244 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS B 71 6.261 -16.846 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.778 -15.241 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS B 71 3.483 -15.577 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS B 71 3.468 -17.975 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.799 -17.676 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS B 71 3.392 -16.018 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS B 71 2.061 -16.324 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 1.832 -17.598 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 2.043 -18.645 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.333 -18.348 -2.878 1.00 0.00 H new ATOM 1424 N ILE B 72 5.177 -14.043 -10.128 1.00 0.00 N ATOM 1425 CA ILE B 72 4.377 -13.699 -11.328 1.00 0.00 C ATOM 1426 C ILE B 72 3.872 -14.950 -12.081 1.00 0.00 C ATOM 1427 O ILE B 72 2.700 -15.018 -12.460 1.00 0.00 O ATOM 1428 CB ILE B 72 5.190 -12.784 -12.271 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.592 -11.454 -11.597 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.462 -12.495 -13.598 1.00 0.00 C ATOM 1431 CD1 ILE B 72 4.432 -10.535 -11.189 1.00 0.00 C ATOM 0 H ILE B 72 6.054 -13.524 -10.072 1.00 0.00 H new ATOM 0 HA ILE B 72 3.494 -13.162 -10.983 1.00 0.00 H new ATOM 0 HB ILE B 72 6.097 -13.345 -12.499 1.00 0.00 H new ATOM 0 HG12 ILE B 72 6.180 -11.682 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.243 -10.906 -12.278 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.081 -11.848 -14.219 1.00 0.00 H new ATOM 0 HG22 ILE B 72 4.276 -13.432 -14.123 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.513 -12.000 -13.392 1.00 0.00 H new ATOM 0 HD11 ILE B 72 4.829 -9.632 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE B 72 3.853 -10.266 -12.072 1.00 0.00 H new ATOM 0 HD13 ILE B 72 3.789 -11.054 -10.478 1.00 0.00 H new ATOM 1443 N GLU B 73 4.747 -15.944 -12.283 1.00 0.00 N ATOM 1444 CA GLU B 73 4.468 -17.237 -12.940 1.00 0.00 C ATOM 1445 C GLU B 73 5.139 -18.418 -12.210 1.00 0.00 C ATOM 1446 O GLU B 73 4.429 -19.400 -11.894 1.00 0.00 O ATOM 1447 CB GLU B 73 4.891 -17.154 -14.420 1.00 0.00 C ATOM 1448 CG GLU B 73 4.461 -18.386 -15.231 1.00 0.00 C ATOM 1449 CD GLU B 73 4.833 -18.236 -16.724 1.00 0.00 C ATOM 1450 OE1 GLU B 73 5.962 -18.617 -17.121 1.00 0.00 O ATOM 1451 OE2 GLU B 73 3.993 -17.748 -17.523 1.00 0.00 O ATOM 0 H GLU B 73 5.718 -15.869 -11.979 1.00 0.00 H new ATOM 0 HA GLU B 73 3.397 -17.432 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU B 73 4.457 -16.260 -14.868 1.00 0.00 H new ATOM 0 HB3 GLU B 73 5.974 -17.046 -14.478 1.00 0.00 H new ATOM 0 HG2 GLU B 73 4.939 -19.277 -14.823 1.00 0.00 H new ATOM 0 HG3 GLU B 73 3.385 -18.529 -15.135 1.00 0.00 H new TER 1458 GLU B 73