USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 31 GLN :FLIP amide:sc= -2.53! F(o=-11,f=-9.9!) USER MOD Set 1.2: A 81 MET CE :methyl 177:sc= -7.34! (180deg=-7.12!) USER MOD Set 2.1: A 25 MET CE :methyl -146:sc= -6.2! (180deg=-7.63!) USER MOD Set 2.2: A 57 MET CE :methyl -174:sc= -3.31 (180deg=-3.41) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -9.55! C(o=-10!,f=-12!) USER MOD Set 3.2: A 48 MET CE :methyl 180:sc= -0.437 (180deg=-0.202) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -13:sc= 0.834 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 14 ASN : amide:sc= 0.61 K(o=0.61,f=-3.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 171:sc= 0.583 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -51:sc= 0.574 USER MOD Single : A 34 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.051) USER MOD Single : A 39 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.007) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.62 F(o=-4.8,f=-2.6) USER MOD Single : A 43 GLN : amide:sc= -4.19! C(o=-4.2!,f=-3.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0396 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0765 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 73 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.84) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 13:sc= 1.28 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 69:sc= 0.021 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.053 1.102 19.401 1.00 72.11 N ATOM 2 CA ALA A 2 -12.729 1.633 19.102 1.00 21.33 C ATOM 3 C ALA A 2 -11.758 0.514 18.738 1.00 15.20 C ATOM 4 O ALA A 2 -11.211 -0.155 19.614 1.00 31.32 O ATOM 5 CB ALA A 2 -12.200 2.428 20.286 1.00 1.33 C ATOM 0 HA ALA A 2 -12.817 2.297 18.242 1.00 21.33 H new ATOM 0 HB1 ALA A 2 -11.210 2.819 20.049 1.00 1.33 H new ATOM 0 HB2 ALA A 2 -12.876 3.256 20.499 1.00 1.33 H new ATOM 0 HB3 ALA A 2 -12.134 1.779 21.160 1.00 1.33 H new ATOM 11 N ARG A 3 -11.551 0.317 17.440 1.00 25.23 N ATOM 12 CA ARG A 3 -10.647 -0.722 16.961 1.00 74.43 C ATOM 13 C ARG A 3 -9.762 -0.196 15.835 1.00 72.13 C ATOM 14 O ARG A 3 -10.257 0.337 14.842 1.00 42.10 O ATOM 15 CB ARG A 3 -11.443 -1.935 16.474 1.00 54.31 C ATOM 16 CG ARG A 3 -11.986 -2.799 17.600 1.00 21.31 C ATOM 17 CD ARG A 3 -13.081 -3.732 17.108 1.00 71.50 C ATOM 18 NE ARG A 3 -13.376 -4.787 18.074 1.00 35.10 N ATOM 19 CZ ARG A 3 -14.151 -4.612 19.139 1.00 24.32 C ATOM 20 NH1 ARG A 3 -14.705 -3.431 19.373 1.00 4.35 N ATOM 21 NH2 ARG A 3 -14.372 -5.621 19.973 1.00 54.25 N ATOM 0 H ARG A 3 -11.996 0.862 16.702 1.00 25.23 H new ATOM 0 HA ARG A 3 -10.008 -1.024 17.791 1.00 74.43 H new ATOM 0 HB2 ARG A 3 -12.274 -1.590 15.859 1.00 54.31 H new ATOM 0 HB3 ARG A 3 -10.805 -2.545 15.835 1.00 54.31 H new ATOM 0 HG2 ARG A 3 -11.175 -3.385 18.034 1.00 21.31 H new ATOM 0 HG3 ARG A 3 -12.378 -2.162 18.392 1.00 21.31 H new ATOM 0 HD2 ARG A 3 -13.986 -3.157 16.912 1.00 71.50 H new ATOM 0 HD3 ARG A 3 -12.777 -4.181 16.162 1.00 71.50 H new ATOM 0 HE ARG A 3 -12.965 -5.708 17.923 1.00 35.10 H new ATOM 0 HH11 ARG A 3 -14.537 -2.653 18.735 1.00 4.35 H new ATOM 0 HH12 ARG A 3 -15.299 -3.300 20.191 1.00 4.35 H new ATOM 0 HH21 ARG A 3 -13.947 -6.531 19.796 1.00 54.25 H new ATOM 0 HH22 ARG A 3 -14.967 -5.486 20.790 1.00 54.25 H new ATOM 35 N GLN A 4 -8.452 -0.350 15.998 1.00 51.11 N ATOM 36 CA GLN A 4 -7.499 0.111 14.996 1.00 43.05 C ATOM 37 C GLN A 4 -6.849 -1.068 14.279 1.00 21.35 C ATOM 38 O GLN A 4 -6.642 -2.129 14.869 1.00 11.15 O ATOM 39 CB GLN A 4 -6.424 0.983 15.647 1.00 63.15 C ATOM 40 CG GLN A 4 -5.500 0.216 16.579 1.00 71.52 C ATOM 41 CD GLN A 4 -4.413 1.089 17.173 1.00 40.33 C ATOM 42 OE1 GLN A 4 -3.664 1.746 16.449 1.00 23.01 O ATOM 43 NE2 GLN A 4 -4.321 1.102 18.497 1.00 10.04 N ATOM 0 H GLN A 4 -8.027 -0.790 16.814 1.00 51.11 H new ATOM 0 HA GLN A 4 -8.042 0.705 14.261 1.00 43.05 H new ATOM 0 HB2 GLN A 4 -5.828 1.455 14.866 1.00 63.15 H new ATOM 0 HB3 GLN A 4 -6.907 1.784 16.206 1.00 63.15 H new ATOM 0 HG2 GLN A 4 -6.087 -0.225 17.385 1.00 71.52 H new ATOM 0 HG3 GLN A 4 -5.041 -0.607 16.032 1.00 71.52 H new ATOM 0 HE21 GLN A 4 -4.963 0.542 19.058 1.00 10.04 H new ATOM 0 HE22 GLN A 4 -3.609 1.672 18.953 1.00 10.04 H new ATOM 52 N VAL A 5 -6.529 -0.876 13.004 1.00 60.44 N ATOM 53 CA VAL A 5 -5.902 -1.924 12.207 1.00 62.03 C ATOM 54 C VAL A 5 -4.518 -1.498 11.730 1.00 51.44 C ATOM 55 O VAL A 5 -4.211 -0.307 11.670 1.00 41.42 O ATOM 56 CB VAL A 5 -6.764 -2.291 10.984 1.00 23.22 C ATOM 57 CG1 VAL A 5 -8.146 -2.749 11.423 1.00 32.14 C ATOM 58 CG2 VAL A 5 -6.862 -1.112 10.029 1.00 53.43 C ATOM 0 H VAL A 5 -6.693 -0.004 12.500 1.00 60.44 H new ATOM 0 HA VAL A 5 -5.808 -2.798 12.851 1.00 62.03 H new ATOM 0 HB VAL A 5 -6.285 -3.116 10.458 1.00 23.22 H new ATOM 0 HG11 VAL A 5 -8.741 -3.004 10.546 1.00 32.14 H new ATOM 0 HG12 VAL A 5 -8.052 -3.625 12.065 1.00 32.14 H new ATOM 0 HG13 VAL A 5 -8.637 -1.947 11.974 1.00 32.14 H new ATOM 0 HG21 VAL A 5 -7.474 -1.389 9.171 1.00 53.43 H new ATOM 0 HG22 VAL A 5 -7.318 -0.265 10.542 1.00 53.43 H new ATOM 0 HG23 VAL A 5 -5.864 -0.836 9.689 1.00 53.43 H new ATOM 68 N ILE A 6 -3.687 -2.477 11.391 1.00 72.53 N ATOM 69 CA ILE A 6 -2.336 -2.203 10.917 1.00 73.30 C ATOM 70 C ILE A 6 -2.319 -1.967 9.411 1.00 54.14 C ATOM 71 O ILE A 6 -3.142 -2.516 8.677 1.00 62.15 O ATOM 72 CB ILE A 6 -1.376 -3.359 11.255 1.00 41.13 C ATOM 73 CG1 ILE A 6 -1.435 -3.680 12.750 1.00 73.05 C ATOM 74 CG2 ILE A 6 0.044 -3.006 10.839 1.00 5.23 C ATOM 75 CD1 ILE A 6 -2.386 -4.807 13.088 1.00 1.22 C ATOM 0 H ILE A 6 -3.925 -3.468 11.436 1.00 72.53 H new ATOM 0 HA ILE A 6 -1.999 -1.301 11.427 1.00 73.30 H new ATOM 0 HB ILE A 6 -1.687 -4.244 10.700 1.00 41.13 H new ATOM 0 HG12 ILE A 6 -0.436 -3.942 13.097 1.00 73.05 H new ATOM 0 HG13 ILE A 6 -1.737 -2.785 13.294 1.00 73.05 H new ATOM 0 HG21 ILE A 6 0.711 -3.832 11.084 1.00 5.23 H new ATOM 0 HG22 ILE A 6 0.073 -2.822 9.765 1.00 5.23 H new ATOM 0 HG23 ILE A 6 0.366 -2.110 11.369 1.00 5.23 H new ATOM 0 HD11 ILE A 6 -2.377 -4.980 14.164 1.00 1.22 H new ATOM 0 HD12 ILE A 6 -3.394 -4.539 12.772 1.00 1.22 H new ATOM 0 HD13 ILE A 6 -2.073 -5.715 12.572 1.00 1.22 H new ATOM 87 N CYS A 7 -1.377 -1.148 8.956 1.00 30.35 N ATOM 88 CA CYS A 7 -1.252 -0.840 7.536 1.00 2.34 C ATOM 89 C CYS A 7 -0.586 -1.989 6.787 1.00 63.01 C ATOM 90 O CYS A 7 0.156 -2.778 7.373 1.00 50.33 O ATOM 91 CB CYS A 7 -0.447 0.446 7.342 1.00 52.33 C ATOM 92 SG CYS A 7 1.332 0.249 7.594 1.00 3.14 S ATOM 0 H CYS A 7 -0.689 -0.685 9.550 1.00 30.35 H new ATOM 0 HA CYS A 7 -2.254 -0.698 7.130 1.00 2.34 H new ATOM 0 HB2 CYS A 7 -0.621 0.822 6.334 1.00 52.33 H new ATOM 0 HB3 CYS A 7 -0.819 1.203 8.033 1.00 52.33 H new ATOM 0 HG CYS A 7 1.926 1.390 7.405 1.00 3.14 H new ATOM 98 N TRP A 8 -0.857 -2.078 5.490 1.00 62.11 N ATOM 99 CA TRP A 8 -0.285 -3.133 4.660 1.00 1.34 C ATOM 100 C TRP A 8 0.789 -2.574 3.733 1.00 33.01 C ATOM 101 O TRP A 8 0.501 -1.760 2.855 1.00 11.20 O ATOM 102 CB TRP A 8 -1.381 -3.815 3.840 1.00 65.03 C ATOM 103 CG TRP A 8 -2.336 -4.614 4.673 1.00 73.21 C ATOM 104 CD1 TRP A 8 -3.247 -4.129 5.568 1.00 61.22 C ATOM 105 CD2 TRP A 8 -2.474 -6.039 4.690 1.00 70.24 C ATOM 106 NE1 TRP A 8 -3.942 -5.167 6.140 1.00 74.11 N ATOM 107 CE2 TRP A 8 -3.488 -6.349 5.617 1.00 2.24 C ATOM 108 CE3 TRP A 8 -1.841 -7.083 4.010 1.00 74.42 C ATOM 109 CZ2 TRP A 8 -3.880 -7.658 5.881 1.00 31.43 C ATOM 110 CZ3 TRP A 8 -2.232 -8.383 4.273 1.00 3.41 C ATOM 111 CH2 TRP A 8 -3.244 -8.661 5.202 1.00 63.15 C ATOM 0 H TRP A 8 -1.469 -1.433 4.990 1.00 62.11 H new ATOM 0 HA TRP A 8 0.177 -3.869 5.318 1.00 1.34 H new ATOM 0 HB2 TRP A 8 -1.937 -3.057 3.289 1.00 65.03 H new ATOM 0 HB3 TRP A 8 -0.918 -4.470 3.102 1.00 65.03 H new ATOM 0 HD1 TRP A 8 -3.399 -3.084 5.793 1.00 61.22 H new ATOM 0 HE1 TRP A 8 -4.677 -5.073 6.841 1.00 74.11 H new ATOM 0 HE3 TRP A 8 -1.061 -6.878 3.292 1.00 74.42 H new ATOM 0 HZ2 TRP A 8 -4.659 -7.874 6.597 1.00 31.43 H new ATOM 0 HZ3 TRP A 8 -1.749 -9.198 3.754 1.00 3.41 H new ATOM 0 HH2 TRP A 8 -3.527 -9.687 5.385 1.00 63.15 H new ATOM 122 N CYS A 9 2.025 -3.016 3.933 1.00 3.11 N ATOM 123 CA CYS A 9 3.142 -2.559 3.114 1.00 4.42 C ATOM 124 C CYS A 9 3.453 -3.562 2.009 1.00 73.44 C ATOM 125 O CYS A 9 3.718 -4.734 2.276 1.00 21.54 O ATOM 126 CB CYS A 9 4.382 -2.339 3.983 1.00 51.43 C ATOM 127 SG CYS A 9 4.877 -3.788 4.944 1.00 74.03 S ATOM 0 H CYS A 9 2.279 -3.690 4.655 1.00 3.11 H new ATOM 0 HA CYS A 9 2.858 -1.614 2.652 1.00 4.42 H new ATOM 0 HB2 CYS A 9 5.212 -2.040 3.343 1.00 51.43 H new ATOM 0 HB3 CYS A 9 4.191 -1.511 4.666 1.00 51.43 H new ATOM 0 HG CYS A 9 3.922 -4.670 4.923 1.00 74.03 H new ATOM 133 N PHE A 10 3.416 -3.095 0.765 1.00 30.31 N ATOM 134 CA PHE A 10 3.691 -3.953 -0.382 1.00 55.31 C ATOM 135 C PHE A 10 4.457 -3.191 -1.459 1.00 43.12 C ATOM 136 O PHE A 10 4.525 -1.961 -1.439 1.00 33.45 O ATOM 137 CB PHE A 10 2.384 -4.500 -0.961 1.00 22.13 C ATOM 138 CG PHE A 10 1.712 -3.559 -1.919 1.00 63.04 C ATOM 139 CD1 PHE A 10 1.106 -2.400 -1.463 1.00 1.24 C ATOM 140 CD2 PHE A 10 1.687 -3.833 -3.277 1.00 65.23 C ATOM 141 CE1 PHE A 10 0.487 -1.533 -2.343 1.00 14.34 C ATOM 142 CE2 PHE A 10 1.070 -2.970 -4.162 1.00 52.52 C ATOM 143 CZ PHE A 10 0.469 -1.817 -3.694 1.00 65.21 C ATOM 0 H PHE A 10 3.198 -2.128 0.526 1.00 30.31 H new ATOM 0 HA PHE A 10 4.307 -4.786 -0.042 1.00 55.31 H new ATOM 0 HB2 PHE A 10 2.588 -5.441 -1.472 1.00 22.13 H new ATOM 0 HB3 PHE A 10 1.699 -4.723 -0.143 1.00 22.13 H new ATOM 0 HD1 PHE A 10 1.117 -2.171 -0.408 1.00 1.24 H new ATOM 0 HD2 PHE A 10 2.156 -4.732 -3.648 1.00 65.23 H new ATOM 0 HE1 PHE A 10 0.017 -0.633 -1.974 1.00 14.34 H new ATOM 0 HE2 PHE A 10 1.057 -3.196 -5.218 1.00 52.52 H new ATOM 0 HZ PHE A 10 -0.014 -1.140 -4.383 1.00 65.21 H new ATOM 153 N THR A 11 5.035 -3.930 -2.401 1.00 24.53 N ATOM 154 CA THR A 11 5.799 -3.327 -3.485 1.00 41.23 C ATOM 155 C THR A 11 5.320 -3.830 -4.842 1.00 32.51 C ATOM 156 O THR A 11 5.288 -5.036 -5.092 1.00 61.12 O ATOM 157 CB THR A 11 7.304 -3.621 -3.344 1.00 5.32 C ATOM 158 OG1 THR A 11 7.696 -3.520 -1.970 1.00 63.02 O ATOM 159 CG2 THR A 11 8.126 -2.654 -4.183 1.00 11.51 C ATOM 0 H THR A 11 4.988 -4.948 -2.434 1.00 24.53 H new ATOM 0 HA THR A 11 5.639 -2.251 -3.422 1.00 41.23 H new ATOM 0 HB THR A 11 7.489 -4.634 -3.701 1.00 5.32 H new ATOM 0 HG1 THR A 11 8.654 -3.710 -1.888 1.00 63.02 H new ATOM 0 HG21 THR A 11 9.186 -2.882 -4.067 1.00 11.51 H new ATOM 0 HG22 THR A 11 7.846 -2.754 -5.232 1.00 11.51 H new ATOM 0 HG23 THR A 11 7.936 -1.633 -3.852 1.00 11.51 H new ATOM 167 N LEU A 12 4.948 -2.901 -5.715 1.00 42.01 N ATOM 168 CA LEU A 12 4.471 -3.251 -7.049 1.00 20.04 C ATOM 169 C LEU A 12 5.497 -2.871 -8.111 1.00 40.23 C ATOM 170 O LEU A 12 5.835 -1.699 -8.270 1.00 42.32 O ATOM 171 CB LEU A 12 3.140 -2.553 -7.335 1.00 44.01 C ATOM 172 CG LEU A 12 2.351 -3.079 -8.535 1.00 5.51 C ATOM 173 CD1 LEU A 12 2.187 -4.588 -8.446 1.00 0.21 C ATOM 174 CD2 LEU A 12 0.994 -2.396 -8.621 1.00 31.44 C ATOM 0 H LEU A 12 4.967 -1.899 -5.524 1.00 42.01 H new ATOM 0 HA LEU A 12 4.323 -4.330 -7.084 1.00 20.04 H new ATOM 0 HB2 LEU A 12 2.512 -2.635 -6.448 1.00 44.01 H new ATOM 0 HB3 LEU A 12 3.335 -1.492 -7.491 1.00 44.01 H new ATOM 0 HG LEU A 12 2.909 -2.849 -9.442 1.00 5.51 H new ATOM 0 HD11 LEU A 12 1.623 -4.944 -9.308 1.00 0.21 H new ATOM 0 HD12 LEU A 12 3.169 -5.061 -8.434 1.00 0.21 H new ATOM 0 HD13 LEU A 12 1.651 -4.842 -7.532 1.00 0.21 H new ATOM 0 HD21 LEU A 12 0.446 -2.782 -9.480 1.00 31.44 H new ATOM 0 HD22 LEU A 12 0.428 -2.595 -7.711 1.00 31.44 H new ATOM 0 HD23 LEU A 12 1.134 -1.321 -8.733 1.00 31.44 H new ATOM 186 N ASN A 13 5.987 -3.870 -8.838 1.00 31.12 N ATOM 187 CA ASN A 13 6.973 -3.640 -9.887 1.00 62.13 C ATOM 188 C ASN A 13 6.331 -3.737 -11.268 1.00 22.21 C ATOM 189 O ASN A 13 5.571 -4.664 -11.546 1.00 45.23 O ATOM 190 CB ASN A 13 8.116 -4.650 -9.772 1.00 24.41 C ATOM 191 CG ASN A 13 8.740 -4.663 -8.390 1.00 10.54 C ATOM 192 OD1 ASN A 13 8.802 -3.634 -7.715 1.00 62.35 O ATOM 193 ND2 ASN A 13 9.206 -5.830 -7.961 1.00 52.11 N ATOM 0 H ASN A 13 5.717 -4.847 -8.720 1.00 31.12 H new ATOM 0 HA ASN A 13 7.372 -2.634 -9.761 1.00 62.13 H new ATOM 0 HB2 ASN A 13 7.742 -5.646 -10.008 1.00 24.41 H new ATOM 0 HB3 ASN A 13 8.882 -4.414 -10.511 1.00 24.41 H new ATOM 0 HD21 ASN A 13 9.636 -5.899 -7.039 1.00 52.11 H new ATOM 0 HD22 ASN A 13 9.134 -6.657 -8.554 1.00 52.11 H new ATOM 200 N ASN A 14 6.643 -2.774 -12.129 1.00 2.34 N ATOM 201 CA ASN A 14 6.097 -2.750 -13.481 1.00 30.33 C ATOM 202 C ASN A 14 4.584 -2.944 -13.459 1.00 52.34 C ATOM 203 O ASN A 14 4.050 -3.915 -13.995 1.00 35.10 O ATOM 204 CB ASN A 14 6.750 -3.839 -14.336 1.00 15.44 C ATOM 205 CG ASN A 14 8.254 -3.891 -14.155 1.00 23.11 C ATOM 206 OD1 ASN A 14 8.992 -3.120 -14.769 1.00 14.55 O ATOM 207 ND2 ASN A 14 8.717 -4.805 -13.309 1.00 50.34 N ATOM 0 H ASN A 14 7.271 -2.000 -11.914 1.00 2.34 H new ATOM 0 HA ASN A 14 6.315 -1.775 -13.918 1.00 30.33 H new ATOM 0 HB2 ASN A 14 6.322 -4.807 -14.076 1.00 15.44 H new ATOM 0 HB3 ASN A 14 6.519 -3.660 -15.386 1.00 15.44 H new ATOM 0 HD21 ASN A 14 9.721 -4.888 -13.147 1.00 50.34 H new ATOM 0 HD22 ASN A 14 8.069 -5.423 -12.821 1.00 50.34 H new ATOM 214 N PRO A 15 3.875 -1.997 -12.826 1.00 61.05 N ATOM 215 CA PRO A 15 2.414 -2.040 -12.721 1.00 14.00 C ATOM 216 C PRO A 15 1.728 -1.795 -14.061 1.00 23.40 C ATOM 217 O PRO A 15 2.181 -0.976 -14.861 1.00 41.31 O ATOM 218 CB PRO A 15 2.095 -0.907 -11.743 1.00 2.43 C ATOM 219 CG PRO A 15 3.240 0.038 -11.871 1.00 64.41 C ATOM 220 CD PRO A 15 4.446 -0.811 -12.166 1.00 20.44 C ATOM 0 HA PRO A 15 2.058 -3.017 -12.394 1.00 14.00 H new ATOM 0 HB2 PRO A 15 1.152 -0.422 -11.993 1.00 2.43 H new ATOM 0 HB3 PRO A 15 2.001 -1.279 -10.723 1.00 2.43 H new ATOM 0 HG2 PRO A 15 3.064 0.758 -12.670 1.00 64.41 H new ATOM 0 HG3 PRO A 15 3.380 0.609 -10.953 1.00 64.41 H new ATOM 0 HD2 PRO A 15 5.154 -0.293 -12.813 1.00 20.44 H new ATOM 0 HD3 PRO A 15 4.983 -1.077 -11.255 1.00 20.44 H new ATOM 228 N LEU A 16 0.634 -2.510 -14.300 1.00 25.41 N ATOM 229 CA LEU A 16 -0.115 -2.370 -15.544 1.00 25.51 C ATOM 230 C LEU A 16 -1.091 -1.202 -15.463 1.00 14.12 C ATOM 231 O LEU A 16 -1.764 -0.873 -16.440 1.00 32.31 O ATOM 232 CB LEU A 16 -0.872 -3.663 -15.854 1.00 50.32 C ATOM 233 CG LEU A 16 -0.039 -4.807 -16.433 1.00 42.42 C ATOM 234 CD1 LEU A 16 0.571 -5.641 -15.317 1.00 51.13 C ATOM 235 CD2 LEU A 16 -0.889 -5.676 -17.348 1.00 32.01 C ATOM 0 H LEU A 16 0.246 -3.192 -13.649 1.00 25.41 H new ATOM 0 HA LEU A 16 0.595 -2.170 -16.347 1.00 25.51 H new ATOM 0 HB2 LEU A 16 -1.344 -4.013 -14.936 1.00 50.32 H new ATOM 0 HB3 LEU A 16 -1.673 -3.432 -16.556 1.00 50.32 H new ATOM 0 HG LEU A 16 0.771 -4.379 -17.023 1.00 42.42 H new ATOM 0 HD11 LEU A 16 1.160 -6.450 -15.748 1.00 51.13 H new ATOM 0 HD12 LEU A 16 1.214 -5.011 -14.702 1.00 51.13 H new ATOM 0 HD13 LEU A 16 -0.224 -6.060 -14.700 1.00 51.13 H new ATOM 0 HD21 LEU A 16 -0.280 -6.485 -17.751 1.00 32.01 H new ATOM 0 HD22 LEU A 16 -1.721 -6.096 -16.782 1.00 32.01 H new ATOM 0 HD23 LEU A 16 -1.277 -5.071 -18.168 1.00 32.01 H new ATOM 247 N SER A 17 -1.162 -0.577 -14.292 1.00 53.40 N ATOM 248 CA SER A 17 -2.058 0.555 -14.083 1.00 20.13 C ATOM 249 C SER A 17 -1.936 1.088 -12.658 1.00 50.15 C ATOM 250 O SER A 17 -1.454 0.408 -11.753 1.00 23.22 O ATOM 251 CB SER A 17 -3.505 0.146 -14.364 1.00 71.11 C ATOM 252 OG SER A 17 -3.694 -1.242 -14.148 1.00 10.20 O ATOM 0 H SER A 17 -0.610 -0.835 -13.474 1.00 53.40 H new ATOM 0 HA SER A 17 -1.771 1.347 -14.775 1.00 20.13 H new ATOM 0 HB2 SER A 17 -4.178 0.712 -13.720 1.00 71.11 H new ATOM 0 HB3 SER A 17 -3.763 0.396 -15.393 1.00 71.11 H new ATOM 0 HG SER A 17 -4.627 -1.478 -14.333 1.00 10.20 H new ATOM 258 N PRO A 18 -2.384 2.336 -12.454 1.00 64.14 N ATOM 259 CA PRO A 18 -2.336 2.989 -11.143 1.00 15.30 C ATOM 260 C PRO A 18 -3.316 2.371 -10.152 1.00 32.24 C ATOM 261 O PRO A 18 -4.333 1.797 -10.544 1.00 31.10 O ATOM 262 CB PRO A 18 -2.731 4.436 -11.453 1.00 23.52 C ATOM 263 CG PRO A 18 -3.545 4.348 -12.697 1.00 62.14 C ATOM 264 CD PRO A 18 -2.971 3.205 -13.488 1.00 63.11 C ATOM 0 HA PRO A 18 -1.357 2.891 -10.674 1.00 15.30 H new ATOM 0 HB2 PRO A 18 -3.304 4.874 -10.635 1.00 23.52 H new ATOM 0 HB3 PRO A 18 -1.852 5.064 -11.599 1.00 23.52 H new ATOM 0 HG2 PRO A 18 -4.595 4.173 -12.464 1.00 62.14 H new ATOM 0 HG3 PRO A 18 -3.495 5.278 -13.263 1.00 62.14 H new ATOM 0 HD2 PRO A 18 -3.740 2.686 -14.060 1.00 63.11 H new ATOM 0 HD3 PRO A 18 -2.220 3.546 -14.200 1.00 63.11 H new ATOM 272 N LEU A 19 -3.005 2.491 -8.866 1.00 3.31 N ATOM 273 CA LEU A 19 -3.859 1.944 -7.817 1.00 43.13 C ATOM 274 C LEU A 19 -5.164 2.727 -7.714 1.00 4.01 C ATOM 275 O LEU A 19 -5.270 3.845 -8.218 1.00 0.14 O ATOM 276 CB LEU A 19 -3.128 1.968 -6.473 1.00 54.14 C ATOM 277 CG LEU A 19 -1.746 1.315 -6.449 1.00 31.22 C ATOM 278 CD1 LEU A 19 -1.188 1.300 -5.034 1.00 43.03 C ATOM 279 CD2 LEU A 19 -1.813 -0.097 -7.012 1.00 74.14 C ATOM 0 H LEU A 19 -2.167 2.962 -8.524 1.00 3.31 H new ATOM 0 HA LEU A 19 -4.096 0.912 -8.076 1.00 43.13 H new ATOM 0 HB2 LEU A 19 -3.023 3.006 -6.158 1.00 54.14 H new ATOM 0 HB3 LEU A 19 -3.755 1.472 -5.732 1.00 54.14 H new ATOM 0 HG LEU A 19 -1.076 1.903 -7.076 1.00 31.22 H new ATOM 0 HD11 LEU A 19 -0.204 0.832 -5.036 1.00 43.03 H new ATOM 0 HD12 LEU A 19 -1.103 2.322 -4.666 1.00 43.03 H new ATOM 0 HD13 LEU A 19 -1.857 0.735 -4.385 1.00 43.03 H new ATOM 0 HD21 LEU A 19 -0.820 -0.546 -6.987 1.00 74.14 H new ATOM 0 HD22 LEU A 19 -2.498 -0.696 -6.411 1.00 74.14 H new ATOM 0 HD23 LEU A 19 -2.169 -0.062 -8.041 1.00 74.14 H new ATOM 291 N SER A 20 -6.154 2.133 -7.056 1.00 22.33 N ATOM 292 CA SER A 20 -7.453 2.774 -6.887 1.00 63.43 C ATOM 293 C SER A 20 -8.105 2.344 -5.577 1.00 22.43 C ATOM 294 O SER A 20 -7.824 1.264 -5.055 1.00 31.41 O ATOM 295 CB SER A 20 -8.370 2.432 -8.063 1.00 31.42 C ATOM 296 OG SER A 20 -8.516 1.029 -8.205 1.00 11.24 O ATOM 0 H SER A 20 -6.082 1.209 -6.631 1.00 22.33 H new ATOM 0 HA SER A 20 -7.298 3.852 -6.858 1.00 63.43 H new ATOM 0 HB2 SER A 20 -9.348 2.889 -7.911 1.00 31.42 H new ATOM 0 HB3 SER A 20 -7.961 2.853 -8.981 1.00 31.42 H new ATOM 0 HG SER A 20 -9.108 0.837 -8.962 1.00 11.24 H new ATOM 302 N LEU A 21 -8.977 3.196 -5.050 1.00 4.14 N ATOM 303 CA LEU A 21 -9.670 2.906 -3.799 1.00 72.14 C ATOM 304 C LEU A 21 -10.381 1.558 -3.871 1.00 53.52 C ATOM 305 O LEU A 21 -10.775 1.109 -4.948 1.00 64.31 O ATOM 306 CB LEU A 21 -10.679 4.012 -3.485 1.00 31.25 C ATOM 307 CG LEU A 21 -11.653 3.726 -2.341 1.00 73.11 C ATOM 308 CD1 LEU A 21 -10.913 3.654 -1.015 1.00 30.14 C ATOM 309 CD2 LEU A 21 -12.742 4.788 -2.290 1.00 3.13 C ATOM 0 H LEU A 21 -9.221 4.093 -5.469 1.00 4.14 H new ATOM 0 HA LEU A 21 -8.928 2.862 -3.002 1.00 72.14 H new ATOM 0 HB2 LEU A 21 -10.128 4.922 -3.248 1.00 31.25 H new ATOM 0 HB3 LEU A 21 -11.258 4.215 -4.386 1.00 31.25 H new ATOM 0 HG LEU A 21 -12.124 2.760 -2.523 1.00 73.11 H new ATOM 0 HD11 LEU A 21 -11.622 3.450 -0.213 1.00 30.14 H new ATOM 0 HD12 LEU A 21 -10.171 2.856 -1.055 1.00 30.14 H new ATOM 0 HD13 LEU A 21 -10.414 4.604 -0.825 1.00 30.14 H new ATOM 0 HD21 LEU A 21 -13.426 4.569 -1.470 1.00 3.13 H new ATOM 0 HD22 LEU A 21 -12.289 5.767 -2.132 1.00 3.13 H new ATOM 0 HD23 LEU A 21 -13.292 4.790 -3.231 1.00 3.13 H new ATOM 321 N HIS A 22 -10.545 0.919 -2.717 1.00 51.23 N ATOM 322 CA HIS A 22 -11.212 -0.376 -2.649 1.00 21.21 C ATOM 323 C HIS A 22 -12.413 -0.320 -1.710 1.00 54.12 C ATOM 324 O HIS A 22 -12.298 0.116 -0.565 1.00 15.43 O ATOM 325 CB HIS A 22 -10.233 -1.453 -2.179 1.00 72.15 C ATOM 326 CG HIS A 22 -10.661 -2.845 -2.529 1.00 73.04 C ATOM 327 ND1 HIS A 22 -10.626 -3.891 -1.632 1.00 64.40 N ATOM 328 CD2 HIS A 22 -11.138 -3.360 -3.687 1.00 31.02 C ATOM 329 CE1 HIS A 22 -11.060 -4.990 -2.223 1.00 33.13 C ATOM 330 NE2 HIS A 22 -11.378 -4.695 -3.470 1.00 52.42 N ATOM 0 H HIS A 22 -10.225 1.277 -1.817 1.00 51.23 H new ATOM 0 HA HIS A 22 -11.566 -0.628 -3.649 1.00 21.21 H new ATOM 0 HB2 HIS A 22 -9.255 -1.261 -2.620 1.00 72.15 H new ATOM 0 HB3 HIS A 22 -10.115 -1.379 -1.098 1.00 72.15 H new ATOM 0 HD2 HIS A 22 -11.300 -2.822 -4.609 1.00 31.02 H new ATOM 0 HE1 HIS A 22 -11.141 -5.964 -1.764 1.00 33.13 H new ATOM 0 HE2 HIS A 22 -11.743 -5.352 -4.160 1.00 52.42 H new ATOM 338 N ASP A 23 -13.564 -0.763 -2.203 1.00 75.14 N ATOM 339 CA ASP A 23 -14.787 -0.764 -1.409 1.00 12.54 C ATOM 340 C ASP A 23 -14.580 -1.506 -0.092 1.00 64.34 C ATOM 341 O ASP A 23 -15.290 -1.269 0.884 1.00 33.53 O ATOM 342 CB ASP A 23 -15.932 -1.404 -2.195 1.00 62.31 C ATOM 343 CG ASP A 23 -16.469 -0.493 -3.282 1.00 23.44 C ATOM 344 OD1 ASP A 23 -16.586 0.724 -3.030 1.00 75.12 O ATOM 345 OD2 ASP A 23 -16.772 -0.998 -4.383 1.00 61.12 O ATOM 0 H ASP A 23 -13.676 -1.126 -3.150 1.00 75.14 H new ATOM 0 HA ASP A 23 -15.045 0.271 -1.185 1.00 12.54 H new ATOM 0 HB2 ASP A 23 -15.585 -2.335 -2.644 1.00 62.31 H new ATOM 0 HB3 ASP A 23 -16.739 -1.662 -1.510 1.00 62.31 H new ATOM 350 N SER A 24 -13.602 -2.406 -0.075 1.00 23.44 N ATOM 351 CA SER A 24 -13.304 -3.188 1.120 1.00 4.30 C ATOM 352 C SER A 24 -12.418 -2.398 2.079 1.00 44.24 C ATOM 353 O SER A 24 -12.627 -2.414 3.291 1.00 34.51 O ATOM 354 CB SER A 24 -12.618 -4.501 0.738 1.00 5.23 C ATOM 355 OG SER A 24 -13.183 -5.594 1.440 1.00 70.40 O ATOM 0 H SER A 24 -13.003 -2.612 -0.874 1.00 23.44 H new ATOM 0 HA SER A 24 -14.245 -3.411 1.623 1.00 4.30 H new ATOM 0 HB2 SER A 24 -12.713 -4.666 -0.335 1.00 5.23 H new ATOM 0 HB3 SER A 24 -11.552 -4.436 0.957 1.00 5.23 H new ATOM 0 HG SER A 24 -12.729 -6.422 1.177 1.00 70.40 H new ATOM 361 N MET A 25 -11.427 -1.707 1.525 1.00 44.30 N ATOM 362 CA MET A 25 -10.509 -0.909 2.330 1.00 23.20 C ATOM 363 C MET A 25 -11.157 0.406 2.752 1.00 71.44 C ATOM 364 O MET A 25 -12.334 0.644 2.480 1.00 11.45 O ATOM 365 CB MET A 25 -9.223 -0.630 1.550 1.00 63.03 C ATOM 366 CG MET A 25 -9.339 0.538 0.584 1.00 75.23 C ATOM 367 SD MET A 25 -7.766 0.959 -0.190 1.00 12.43 S ATOM 368 CE MET A 25 -7.399 -0.561 -1.062 1.00 33.41 C ATOM 0 H MET A 25 -11.239 -1.683 0.523 1.00 44.30 H new ATOM 0 HA MET A 25 -10.265 -1.477 3.227 1.00 23.20 H new ATOM 0 HB2 MET A 25 -8.417 -0.429 2.255 1.00 63.03 H new ATOM 0 HB3 MET A 25 -8.944 -1.525 0.993 1.00 63.03 H new ATOM 0 HG2 MET A 25 -10.066 0.293 -0.190 1.00 75.23 H new ATOM 0 HG3 MET A 25 -9.722 1.408 1.117 1.00 75.23 H new ATOM 0 HE1 MET A 25 -6.321 -0.725 -1.070 1.00 33.41 H new ATOM 0 HE2 MET A 25 -7.889 -1.396 -0.561 1.00 33.41 H new ATOM 0 HE3 MET A 25 -7.763 -0.489 -2.087 1.00 33.41 H new ATOM 378 N LYS A 26 -10.382 1.256 3.416 1.00 32.25 N ATOM 379 CA LYS A 26 -10.880 2.547 3.875 1.00 1.31 C ATOM 380 C LYS A 26 -10.019 3.685 3.336 1.00 24.12 C ATOM 381 O LYS A 26 -10.530 4.741 2.964 1.00 54.13 O ATOM 382 CB LYS A 26 -10.905 2.593 5.405 1.00 54.24 C ATOM 383 CG LYS A 26 -12.297 2.776 5.984 1.00 13.35 C ATOM 384 CD LYS A 26 -12.314 3.841 7.069 1.00 71.14 C ATOM 385 CE LYS A 26 -13.052 3.361 8.309 1.00 1.42 C ATOM 386 NZ LYS A 26 -12.665 4.138 9.519 1.00 13.34 N ATOM 0 H LYS A 26 -9.406 1.074 3.649 1.00 32.25 H new ATOM 0 HA LYS A 26 -11.895 2.672 3.497 1.00 1.31 H new ATOM 0 HB2 LYS A 26 -10.477 1.670 5.795 1.00 54.24 H new ATOM 0 HB3 LYS A 26 -10.268 3.409 5.746 1.00 54.24 H new ATOM 0 HG2 LYS A 26 -12.989 3.054 5.189 1.00 13.35 H new ATOM 0 HG3 LYS A 26 -12.648 1.830 6.396 1.00 13.35 H new ATOM 0 HD2 LYS A 26 -11.291 4.109 7.334 1.00 71.14 H new ATOM 0 HD3 LYS A 26 -12.791 4.744 6.687 1.00 71.14 H new ATOM 0 HE2 LYS A 26 -14.127 3.449 8.149 1.00 1.42 H new ATOM 0 HE3 LYS A 26 -12.839 2.304 8.472 1.00 1.42 H new ATOM 0 HZ1 LYS A 26 -13.189 3.781 10.343 1.00 13.34 H new ATOM 0 HZ2 LYS A 26 -11.644 4.034 9.687 1.00 13.34 H new ATOM 0 HZ3 LYS A 26 -12.891 5.143 9.373 1.00 13.34 H new ATOM 400 N TYR A 27 -8.710 3.462 3.296 1.00 22.01 N ATOM 401 CA TYR A 27 -7.778 4.469 2.803 1.00 24.01 C ATOM 402 C TYR A 27 -6.746 3.845 1.868 1.00 2.14 C ATOM 403 O TYR A 27 -6.399 2.671 2.002 1.00 20.31 O ATOM 404 CB TYR A 27 -7.072 5.157 3.973 1.00 52.32 C ATOM 405 CG TYR A 27 -6.689 6.592 3.689 1.00 0.21 C ATOM 406 CD1 TYR A 27 -7.656 7.544 3.390 1.00 33.12 C ATOM 407 CD2 TYR A 27 -5.360 6.996 3.719 1.00 40.01 C ATOM 408 CE1 TYR A 27 -7.311 8.856 3.130 1.00 61.14 C ATOM 409 CE2 TYR A 27 -5.006 8.306 3.461 1.00 4.11 C ATOM 410 CZ TYR A 27 -5.984 9.232 3.167 1.00 55.23 C ATOM 411 OH TYR A 27 -5.635 10.538 2.908 1.00 74.21 O ATOM 0 H TYR A 27 -8.270 2.593 3.599 1.00 22.01 H new ATOM 0 HA TYR A 27 -8.347 5.211 2.243 1.00 24.01 H new ATOM 0 HB2 TYR A 27 -7.723 5.130 4.847 1.00 52.32 H new ATOM 0 HB3 TYR A 27 -6.174 4.593 4.227 1.00 52.32 H new ATOM 0 HD1 TYR A 27 -8.696 7.253 3.360 1.00 33.12 H new ATOM 0 HD2 TYR A 27 -4.591 6.273 3.948 1.00 40.01 H new ATOM 0 HE1 TYR A 27 -8.075 9.583 2.899 1.00 61.14 H new ATOM 0 HE2 TYR A 27 -3.968 8.603 3.489 1.00 4.11 H new ATOM 0 HH TYR A 27 -4.685 10.669 3.108 1.00 74.21 H new ATOM 421 N LEU A 28 -6.258 4.639 0.922 1.00 52.41 N ATOM 422 CA LEU A 28 -5.265 4.167 -0.036 1.00 41.25 C ATOM 423 C LEU A 28 -4.092 5.138 -0.128 1.00 51.23 C ATOM 424 O LEU A 28 -4.278 6.333 -0.360 1.00 73.25 O ATOM 425 CB LEU A 28 -5.903 3.988 -1.415 1.00 65.03 C ATOM 426 CG LEU A 28 -4.934 3.870 -2.593 1.00 1.34 C ATOM 427 CD1 LEU A 28 -3.859 2.836 -2.298 1.00 23.01 C ATOM 428 CD2 LEU A 28 -5.685 3.514 -3.867 1.00 64.53 C ATOM 0 H LEU A 28 -6.534 5.613 0.798 1.00 52.41 H new ATOM 0 HA LEU A 28 -4.889 3.205 0.312 1.00 41.25 H new ATOM 0 HB2 LEU A 28 -6.526 3.094 -1.392 1.00 65.03 H new ATOM 0 HB3 LEU A 28 -6.566 4.833 -1.599 1.00 65.03 H new ATOM 0 HG LEU A 28 -4.449 4.835 -2.739 1.00 1.34 H new ATOM 0 HD11 LEU A 28 -3.179 2.766 -3.147 1.00 23.01 H new ATOM 0 HD12 LEU A 28 -3.301 3.134 -1.410 1.00 23.01 H new ATOM 0 HD13 LEU A 28 -4.325 1.866 -2.125 1.00 23.01 H new ATOM 0 HD21 LEU A 28 -4.980 3.434 -4.695 1.00 64.53 H new ATOM 0 HD22 LEU A 28 -6.197 2.561 -3.733 1.00 64.53 H new ATOM 0 HD23 LEU A 28 -6.417 4.291 -4.087 1.00 64.53 H new ATOM 440 N VAL A 29 -2.883 4.617 0.054 1.00 70.35 N ATOM 441 CA VAL A 29 -1.679 5.436 -0.012 1.00 51.51 C ATOM 442 C VAL A 29 -0.567 4.719 -0.769 1.00 4.52 C ATOM 443 O VAL A 29 -0.154 3.622 -0.394 1.00 32.40 O ATOM 444 CB VAL A 29 -1.173 5.804 1.395 1.00 12.44 C ATOM 445 CG1 VAL A 29 0.114 6.609 1.307 1.00 43.43 C ATOM 446 CG2 VAL A 29 -2.240 6.572 2.161 1.00 52.33 C ATOM 0 H VAL A 29 -2.711 3.631 0.248 1.00 70.35 H new ATOM 0 HA VAL A 29 -1.946 6.349 -0.544 1.00 51.51 H new ATOM 0 HB VAL A 29 -0.960 4.883 1.937 1.00 12.44 H new ATOM 0 HG11 VAL A 29 0.456 6.860 2.311 1.00 43.43 H new ATOM 0 HG12 VAL A 29 0.878 6.019 0.800 1.00 43.43 H new ATOM 0 HG13 VAL A 29 -0.068 7.526 0.746 1.00 43.43 H new ATOM 0 HG21 VAL A 29 -1.865 6.824 3.153 1.00 52.33 H new ATOM 0 HG22 VAL A 29 -2.486 7.487 1.623 1.00 52.33 H new ATOM 0 HG23 VAL A 29 -3.134 5.956 2.257 1.00 52.33 H new ATOM 456 N TYR A 30 -0.084 5.348 -1.835 1.00 73.53 N ATOM 457 CA TYR A 30 0.980 4.769 -2.647 1.00 31.23 C ATOM 458 C TYR A 30 1.785 5.859 -3.348 1.00 12.04 C ATOM 459 O TYR A 30 1.294 6.967 -3.560 1.00 2.51 O ATOM 460 CB TYR A 30 0.395 3.806 -3.682 1.00 12.34 C ATOM 461 CG TYR A 30 -0.125 4.495 -4.923 1.00 55.00 C ATOM 462 CD1 TYR A 30 -1.366 5.121 -4.926 1.00 43.21 C ATOM 463 CD2 TYR A 30 0.624 4.520 -6.093 1.00 0.42 C ATOM 464 CE1 TYR A 30 -1.845 5.751 -6.058 1.00 71.13 C ATOM 465 CE2 TYR A 30 0.153 5.149 -7.229 1.00 62.04 C ATOM 466 CZ TYR A 30 -1.082 5.762 -7.207 1.00 51.33 C ATOM 467 OH TYR A 30 -1.556 6.390 -8.337 1.00 25.33 O ATOM 0 H TYR A 30 -0.412 6.259 -2.157 1.00 73.53 H new ATOM 0 HA TYR A 30 1.648 4.218 -1.985 1.00 31.23 H new ATOM 0 HB2 TYR A 30 1.161 3.086 -3.970 1.00 12.34 H new ATOM 0 HB3 TYR A 30 -0.416 3.241 -3.223 1.00 12.34 H new ATOM 0 HD1 TYR A 30 -1.966 5.115 -4.028 1.00 43.21 H new ATOM 0 HD2 TYR A 30 1.591 4.039 -6.115 1.00 0.42 H new ATOM 0 HE1 TYR A 30 -2.812 6.232 -6.044 1.00 71.13 H new ATOM 0 HE2 TYR A 30 0.749 5.161 -8.130 1.00 62.04 H new ATOM 0 HH TYR A 30 -0.897 6.307 -9.058 1.00 25.33 H new ATOM 477 N GLN A 31 3.023 5.534 -3.704 1.00 42.24 N ATOM 478 CA GLN A 31 3.897 6.485 -4.381 1.00 51.33 C ATOM 479 C GLN A 31 4.708 5.797 -5.474 1.00 61.11 C ATOM 480 O GLN A 31 4.917 4.584 -5.437 1.00 72.30 O ATOM 481 CB GLN A 31 4.837 7.152 -3.375 1.00 53.04 C ATOM 482 CG GLN A 31 4.180 7.457 -2.039 1.00 21.33 C ATOM 483 CD GLN A 31 5.039 8.339 -1.154 1.00 52.23 C ATOM 484 OE1 GLN A 31 4.801 8.280 0.151 1.00 23.55 O flip ATOM 485 NE2 GLN A 31 5.906 9.067 -1.639 1.00 61.22 N flip ATOM 0 H GLN A 31 3.444 4.620 -3.535 1.00 42.24 H new ATOM 0 HA GLN A 31 3.272 7.248 -4.844 1.00 51.33 H new ATOM 0 HB2 GLN A 31 5.697 6.503 -3.208 1.00 53.04 H new ATOM 0 HB3 GLN A 31 5.216 8.079 -3.804 1.00 53.04 H new ATOM 0 HG2 GLN A 31 3.222 7.947 -2.213 1.00 21.33 H new ATOM 0 HG3 GLN A 31 3.970 6.522 -1.520 1.00 21.33 H new ATOM 0 HE21 GLN A 31 6.055 9.081 -2.648 1.00 61.22 H new ATOM 0 HE22 GLN A 31 6.475 9.656 -1.032 1.00 61.22 H new ATOM 494 N THR A 32 5.164 6.579 -6.448 1.00 12.02 N ATOM 495 CA THR A 32 5.951 6.045 -7.552 1.00 73.11 C ATOM 496 C THR A 32 7.443 6.238 -7.308 1.00 30.24 C ATOM 497 O THR A 32 7.886 7.328 -6.947 1.00 33.34 O ATOM 498 CB THR A 32 5.570 6.712 -8.887 1.00 43.23 C ATOM 499 OG1 THR A 32 4.192 6.462 -9.185 1.00 1.12 O ATOM 500 CG2 THR A 32 6.442 6.191 -10.020 1.00 54.02 C ATOM 0 H THR A 32 5.001 7.585 -6.494 1.00 12.02 H new ATOM 0 HA THR A 32 5.731 4.979 -7.611 1.00 73.11 H new ATOM 0 HB THR A 32 5.730 7.786 -8.790 1.00 43.23 H new ATOM 0 HG1 THR A 32 4.009 5.502 -9.108 1.00 1.12 H new ATOM 0 HG21 THR A 32 6.155 6.676 -10.953 1.00 54.02 H new ATOM 0 HG22 THR A 32 7.488 6.410 -9.804 1.00 54.02 H new ATOM 0 HG23 THR A 32 6.309 5.113 -10.116 1.00 54.02 H new ATOM 508 N GLU A 33 8.213 5.173 -7.508 1.00 23.05 N ATOM 509 CA GLU A 33 9.657 5.227 -7.308 1.00 52.02 C ATOM 510 C GLU A 33 10.397 4.815 -8.577 1.00 60.14 C ATOM 511 O GLU A 33 9.832 4.159 -9.452 1.00 31.44 O ATOM 512 CB GLU A 33 10.068 4.319 -6.147 1.00 40.13 C ATOM 513 CG GLU A 33 10.200 5.049 -4.821 1.00 72.11 C ATOM 514 CD GLU A 33 11.484 4.706 -4.092 1.00 21.15 C ATOM 515 OE1 GLU A 33 12.027 3.607 -4.330 1.00 2.13 O ATOM 516 OE2 GLU A 33 11.946 5.537 -3.282 1.00 41.52 O ATOM 0 H GLU A 33 7.862 4.264 -7.808 1.00 23.05 H new ATOM 0 HA GLU A 33 9.927 6.255 -7.068 1.00 52.02 H new ATOM 0 HB2 GLU A 33 9.332 3.522 -6.042 1.00 40.13 H new ATOM 0 HB3 GLU A 33 11.019 3.844 -6.387 1.00 40.13 H new ATOM 0 HG2 GLU A 33 10.163 6.124 -4.997 1.00 72.11 H new ATOM 0 HG3 GLU A 33 9.349 4.800 -4.187 1.00 72.11 H new ATOM 523 N GLN A 34 11.664 5.206 -8.670 1.00 11.01 N ATOM 524 CA GLN A 34 12.481 4.878 -9.832 1.00 41.42 C ATOM 525 C GLN A 34 13.403 3.700 -9.535 1.00 0.41 C ATOM 526 O GLN A 34 14.137 3.708 -8.548 1.00 23.51 O ATOM 527 CB GLN A 34 13.307 6.093 -10.260 1.00 24.33 C ATOM 528 CG GLN A 34 13.103 6.487 -11.714 1.00 35.44 C ATOM 529 CD GLN A 34 14.357 6.316 -12.547 1.00 24.32 C ATOM 530 OE1 GLN A 34 14.328 5.708 -13.617 1.00 73.42 O ATOM 531 NE2 GLN A 34 15.470 6.853 -12.060 1.00 33.05 N ATOM 0 H GLN A 34 12.147 5.750 -7.955 1.00 11.01 H new ATOM 0 HA GLN A 34 11.813 4.596 -10.646 1.00 41.42 H new ATOM 0 HB2 GLN A 34 13.049 6.939 -9.623 1.00 24.33 H new ATOM 0 HB3 GLN A 34 14.363 5.880 -10.095 1.00 24.33 H new ATOM 0 HG2 GLN A 34 12.303 5.883 -12.141 1.00 35.44 H new ATOM 0 HG3 GLN A 34 12.778 7.526 -11.763 1.00 35.44 H new ATOM 0 HE21 GLN A 34 15.449 7.349 -11.169 1.00 33.05 H new ATOM 0 HE22 GLN A 34 16.345 6.770 -12.577 1.00 33.05 H new ATOM 540 N GLY A 35 13.359 2.688 -10.396 1.00 51.43 N ATOM 541 CA GLY A 35 14.194 1.517 -10.208 1.00 23.12 C ATOM 542 C GLY A 35 13.574 0.263 -10.791 1.00 22.41 C ATOM 543 O GLY A 35 12.370 0.216 -11.037 1.00 74.43 O ATOM 0 H GLY A 35 12.759 2.659 -11.221 1.00 51.43 H new ATOM 0 HA2 GLY A 35 15.165 1.688 -10.673 1.00 23.12 H new ATOM 0 HA3 GLY A 35 14.372 1.369 -9.143 1.00 23.12 H new ATOM 547 N GLU A 36 14.400 -0.755 -11.013 1.00 74.55 N ATOM 548 CA GLU A 36 13.924 -2.015 -11.574 1.00 2.12 C ATOM 549 C GLU A 36 13.374 -1.811 -12.983 1.00 3.54 C ATOM 550 O GLU A 36 12.409 -1.074 -13.183 1.00 3.44 O ATOM 551 CB GLU A 36 12.844 -2.623 -10.676 1.00 44.22 C ATOM 552 CG GLU A 36 11.785 -3.400 -11.439 1.00 52.35 C ATOM 553 CD GLU A 36 12.372 -4.518 -12.279 1.00 4.34 C ATOM 554 OE1 GLU A 36 13.536 -4.897 -12.029 1.00 72.21 O ATOM 555 OE2 GLU A 36 11.670 -5.013 -13.184 1.00 53.22 O ATOM 0 H GLU A 36 15.400 -0.732 -10.814 1.00 74.55 H new ATOM 0 HA GLU A 36 14.770 -2.701 -11.629 1.00 2.12 H new ATOM 0 HB2 GLU A 36 13.317 -3.285 -9.951 1.00 44.22 H new ATOM 0 HB3 GLU A 36 12.361 -1.825 -10.112 1.00 44.22 H new ATOM 0 HG2 GLU A 36 11.068 -3.819 -10.733 1.00 52.35 H new ATOM 0 HG3 GLU A 36 11.234 -2.717 -12.085 1.00 52.35 H new ATOM 562 N ALA A 37 13.996 -2.468 -13.955 1.00 65.35 N ATOM 563 CA ALA A 37 13.569 -2.361 -15.345 1.00 2.31 C ATOM 564 C ALA A 37 13.489 -0.902 -15.783 1.00 74.31 C ATOM 565 O ALA A 37 13.861 0.002 -15.036 1.00 72.15 O ATOM 566 CB ALA A 37 12.225 -3.047 -15.538 1.00 62.05 C ATOM 0 H ALA A 37 14.798 -3.081 -13.806 1.00 65.35 H new ATOM 0 HA ALA A 37 14.312 -2.860 -15.968 1.00 2.31 H new ATOM 0 HB1 ALA A 37 11.918 -2.959 -16.580 1.00 62.05 H new ATOM 0 HB2 ALA A 37 12.313 -4.101 -15.273 1.00 62.05 H new ATOM 0 HB3 ALA A 37 11.480 -2.573 -14.899 1.00 62.05 H new ATOM 572 N GLY A 38 13.000 -0.681 -17.000 1.00 2.32 N ATOM 573 CA GLY A 38 12.881 0.670 -17.517 1.00 12.25 C ATOM 574 C GLY A 38 11.595 1.345 -17.083 1.00 11.34 C ATOM 575 O GLY A 38 11.340 2.496 -17.436 1.00 62.31 O ATOM 0 H GLY A 38 12.684 -1.413 -17.636 1.00 2.32 H new ATOM 0 HA2 GLY A 38 13.731 1.262 -17.178 1.00 12.25 H new ATOM 0 HA3 GLY A 38 12.925 0.644 -18.606 1.00 12.25 H new ATOM 579 N ASN A 39 10.781 0.627 -16.315 1.00 42.31 N ATOM 580 CA ASN A 39 9.513 1.164 -15.834 1.00 60.44 C ATOM 581 C ASN A 39 9.632 1.626 -14.385 1.00 43.35 C ATOM 582 O ASN A 39 10.732 1.699 -13.835 1.00 55.12 O ATOM 583 CB ASN A 39 8.411 0.109 -15.956 1.00 11.34 C ATOM 584 CG ASN A 39 8.304 -0.456 -17.359 1.00 34.23 C ATOM 585 OD1 ASN A 39 7.438 -0.056 -18.137 1.00 12.42 O ATOM 586 ND2 ASN A 39 9.186 -1.393 -17.688 1.00 15.21 N ATOM 0 H ASN A 39 10.977 -0.327 -16.013 1.00 42.31 H new ATOM 0 HA ASN A 39 9.254 2.025 -16.450 1.00 60.44 H new ATOM 0 HB2 ASN A 39 8.609 -0.702 -15.255 1.00 11.34 H new ATOM 0 HB3 ASN A 39 7.456 0.551 -15.671 1.00 11.34 H new ATOM 0 HD21 ASN A 39 9.163 -1.811 -18.618 1.00 15.21 H new ATOM 0 HD22 ASN A 39 9.887 -1.694 -17.011 1.00 15.21 H new ATOM 593 N ILE A 40 8.494 1.937 -13.774 1.00 5.21 N ATOM 594 CA ILE A 40 8.471 2.391 -12.389 1.00 5.11 C ATOM 595 C ILE A 40 7.743 1.393 -11.495 1.00 64.33 C ATOM 596 O ILE A 40 7.064 0.488 -11.982 1.00 1.04 O ATOM 597 CB ILE A 40 7.794 3.768 -12.259 1.00 3.20 C ATOM 598 CG1 ILE A 40 6.579 3.852 -13.184 1.00 54.43 C ATOM 599 CG2 ILE A 40 8.786 4.878 -12.576 1.00 33.14 C ATOM 600 CD1 ILE A 40 5.740 5.092 -12.968 1.00 54.44 C ATOM 0 H ILE A 40 7.576 1.883 -14.216 1.00 5.21 H new ATOM 0 HA ILE A 40 9.509 2.474 -12.067 1.00 5.11 H new ATOM 0 HB ILE A 40 7.454 3.894 -11.231 1.00 3.20 H new ATOM 0 HG12 ILE A 40 6.919 3.829 -14.220 1.00 54.43 H new ATOM 0 HG13 ILE A 40 5.956 2.971 -13.033 1.00 54.43 H new ATOM 0 HG21 ILE A 40 8.293 5.845 -12.480 1.00 33.14 H new ATOM 0 HG22 ILE A 40 9.624 4.827 -11.880 1.00 33.14 H new ATOM 0 HG23 ILE A 40 9.153 4.758 -13.595 1.00 33.14 H new ATOM 0 HD11 ILE A 40 4.896 5.085 -13.658 1.00 54.44 H new ATOM 0 HD12 ILE A 40 5.370 5.107 -11.943 1.00 54.44 H new ATOM 0 HD13 ILE A 40 6.348 5.979 -13.148 1.00 54.44 H new ATOM 612 N HIS A 41 7.888 1.564 -10.185 1.00 44.21 N ATOM 613 CA HIS A 41 7.242 0.679 -9.222 1.00 44.32 C ATOM 614 C HIS A 41 6.496 1.483 -8.161 1.00 62.14 C ATOM 615 O HIS A 41 6.923 2.573 -7.780 1.00 33.03 O ATOM 616 CB HIS A 41 8.278 -0.228 -8.557 1.00 13.12 C ATOM 617 CG HIS A 41 9.600 0.438 -8.329 1.00 52.25 C ATOM 618 ND1 HIS A 41 9.900 1.699 -7.941 1.00 13.43 N flip ATOM 619 CD2 HIS A 41 10.807 -0.206 -8.504 1.00 45.52 C flip ATOM 620 CE1 HIS A 41 11.269 1.794 -7.887 1.00 5.33 C flip ATOM 621 NE2 HIS A 41 11.792 0.630 -8.231 1.00 64.51 N flip ATOM 0 H HIS A 41 8.447 2.307 -9.766 1.00 44.21 H new ATOM 0 HA HIS A 41 6.521 0.062 -9.759 1.00 44.32 H new ATOM 0 HB2 HIS A 41 7.885 -0.574 -7.601 1.00 13.12 H new ATOM 0 HB3 HIS A 41 8.428 -1.111 -9.178 1.00 13.12 H new ATOM 0 HD2 HIS A 41 10.928 -1.233 -8.815 1.00 45.52 H new ATOM 0 HE1 HIS A 41 11.827 2.676 -7.609 1.00 5.33 H new ATOM 0 HE2 HIS A 41 12.788 0.414 -8.278 1.00 64.51 H new ATOM 629 N PHE A 42 5.380 0.938 -7.690 1.00 32.23 N ATOM 630 CA PHE A 42 4.573 1.605 -6.674 1.00 62.22 C ATOM 631 C PHE A 42 4.888 1.059 -5.285 1.00 33.54 C ATOM 632 O PHE A 42 5.040 -0.149 -5.102 1.00 4.23 O ATOM 633 CB PHE A 42 3.084 1.429 -6.979 1.00 21.22 C ATOM 634 CG PHE A 42 2.667 2.021 -8.294 1.00 41.54 C ATOM 635 CD1 PHE A 42 3.309 3.140 -8.800 1.00 1.53 C ATOM 636 CD2 PHE A 42 1.633 1.460 -9.025 1.00 73.15 C ATOM 637 CE1 PHE A 42 2.928 3.688 -10.010 1.00 42.23 C ATOM 638 CE2 PHE A 42 1.248 2.003 -10.237 1.00 32.13 C ATOM 639 CZ PHE A 42 1.895 3.119 -10.729 1.00 44.11 C ATOM 0 H PHE A 42 5.013 0.036 -7.995 1.00 32.23 H new ATOM 0 HA PHE A 42 4.817 2.667 -6.691 1.00 62.22 H new ATOM 0 HB2 PHE A 42 2.844 0.366 -6.976 1.00 21.22 H new ATOM 0 HB3 PHE A 42 2.501 1.890 -6.181 1.00 21.22 H new ATOM 0 HD1 PHE A 42 4.117 3.589 -8.242 1.00 1.53 H new ATOM 0 HD2 PHE A 42 1.122 0.588 -8.644 1.00 73.15 H new ATOM 0 HE1 PHE A 42 3.437 4.560 -10.393 1.00 42.23 H new ATOM 0 HE2 PHE A 42 0.442 1.554 -10.798 1.00 32.13 H new ATOM 0 HZ PHE A 42 1.594 3.546 -11.674 1.00 44.11 H new ATOM 649 N GLN A 43 4.983 1.957 -4.310 1.00 23.01 N ATOM 650 CA GLN A 43 5.281 1.565 -2.937 1.00 54.42 C ATOM 651 C GLN A 43 4.550 2.463 -1.944 1.00 54.24 C ATOM 652 O GLN A 43 4.574 3.687 -2.064 1.00 41.34 O ATOM 653 CB GLN A 43 6.788 1.625 -2.683 1.00 32.13 C ATOM 654 CG GLN A 43 7.444 0.257 -2.593 1.00 21.42 C ATOM 655 CD GLN A 43 8.814 0.222 -3.242 1.00 13.52 C ATOM 656 OE1 GLN A 43 9.833 0.099 -2.562 1.00 12.22 O ATOM 657 NE2 GLN A 43 8.845 0.332 -4.565 1.00 31.31 N ATOM 0 H GLN A 43 4.858 2.960 -4.445 1.00 23.01 H new ATOM 0 HA GLN A 43 4.936 0.541 -2.795 1.00 54.42 H new ATOM 0 HB2 GLN A 43 7.261 2.194 -3.484 1.00 32.13 H new ATOM 0 HB3 GLN A 43 6.971 2.168 -1.756 1.00 32.13 H new ATOM 0 HG2 GLN A 43 7.535 -0.030 -1.545 1.00 21.42 H new ATOM 0 HG3 GLN A 43 6.801 -0.482 -3.071 1.00 21.42 H new ATOM 0 HE21 GLN A 43 7.976 0.432 -5.089 1.00 31.31 H new ATOM 0 HE22 GLN A 43 9.738 0.316 -5.057 1.00 31.31 H new ATOM 666 N GLY A 44 3.899 1.845 -0.963 1.00 55.53 N ATOM 667 CA GLY A 44 3.169 2.604 0.036 1.00 51.34 C ATOM 668 C GLY A 44 2.458 1.714 1.035 1.00 21.33 C ATOM 669 O GLY A 44 2.744 0.520 1.127 1.00 60.44 O ATOM 0 H GLY A 44 3.864 0.833 -0.842 1.00 55.53 H new ATOM 0 HA2 GLY A 44 3.860 3.260 0.566 1.00 51.34 H new ATOM 0 HA3 GLY A 44 2.439 3.244 -0.460 1.00 51.34 H new ATOM 673 N TYR A 45 1.531 2.295 1.788 1.00 33.21 N ATOM 674 CA TYR A 45 0.780 1.547 2.789 1.00 31.33 C ATOM 675 C TYR A 45 -0.717 1.597 2.498 1.00 62.00 C ATOM 676 O TYR A 45 -1.237 2.614 2.037 1.00 23.31 O ATOM 677 CB TYR A 45 1.058 2.103 4.187 1.00 52.33 C ATOM 678 CG TYR A 45 0.936 3.608 4.275 1.00 74.24 C ATOM 679 CD1 TYR A 45 -0.291 4.211 4.526 1.00 3.11 C ATOM 680 CD2 TYR A 45 2.046 4.426 4.105 1.00 35.11 C ATOM 681 CE1 TYR A 45 -0.407 5.585 4.607 1.00 55.34 C ATOM 682 CE2 TYR A 45 1.938 5.801 4.185 1.00 24.24 C ATOM 683 CZ TYR A 45 0.710 6.376 4.436 1.00 31.30 C ATOM 684 OH TYR A 45 0.599 7.745 4.515 1.00 12.03 O ATOM 0 H TYR A 45 1.282 3.282 1.724 1.00 33.21 H new ATOM 0 HA TYR A 45 1.105 0.507 2.747 1.00 31.33 H new ATOM 0 HB2 TYR A 45 0.364 1.649 4.894 1.00 52.33 H new ATOM 0 HB3 TYR A 45 2.062 1.810 4.493 1.00 52.33 H new ATOM 0 HD1 TYR A 45 -1.168 3.595 4.660 1.00 3.11 H new ATOM 0 HD2 TYR A 45 3.009 3.980 3.907 1.00 35.11 H new ATOM 0 HE1 TYR A 45 -1.368 6.038 4.803 1.00 55.34 H new ATOM 0 HE2 TYR A 45 2.811 6.423 4.052 1.00 24.24 H new ATOM 0 HH TYR A 45 1.478 8.153 4.372 1.00 12.03 H new ATOM 694 N ILE A 46 -1.403 0.493 2.771 1.00 73.42 N ATOM 695 CA ILE A 46 -2.840 0.410 2.540 1.00 12.41 C ATOM 696 C ILE A 46 -3.550 -0.242 3.722 1.00 52.24 C ATOM 697 O ILE A 46 -3.149 -1.307 4.188 1.00 62.54 O ATOM 698 CB ILE A 46 -3.160 -0.385 1.261 1.00 54.24 C ATOM 699 CG1 ILE A 46 -2.444 0.233 0.058 1.00 71.53 C ATOM 700 CG2 ILE A 46 -4.663 -0.427 1.025 1.00 1.41 C ATOM 701 CD1 ILE A 46 -2.525 -0.614 -1.193 1.00 50.14 C ATOM 0 H ILE A 46 -0.987 -0.357 3.152 1.00 73.42 H new ATOM 0 HA ILE A 46 -3.200 1.432 2.422 1.00 12.41 H new ATOM 0 HB ILE A 46 -2.803 -1.407 1.387 1.00 54.24 H new ATOM 0 HG12 ILE A 46 -2.875 1.213 -0.148 1.00 71.53 H new ATOM 0 HG13 ILE A 46 -1.396 0.393 0.312 1.00 71.53 H new ATOM 0 HG21 ILE A 46 -4.873 -0.992 0.117 1.00 1.41 H new ATOM 0 HG22 ILE A 46 -5.151 -0.907 1.873 1.00 1.41 H new ATOM 0 HG23 ILE A 46 -5.043 0.589 0.916 1.00 1.41 H new ATOM 0 HD11 ILE A 46 -1.996 -0.115 -2.005 1.00 50.14 H new ATOM 0 HD12 ILE A 46 -2.068 -1.585 -1.005 1.00 50.14 H new ATOM 0 HD13 ILE A 46 -3.570 -0.753 -1.471 1.00 50.14 H new ATOM 713 N GLU A 47 -4.608 0.405 4.200 1.00 55.33 N ATOM 714 CA GLU A 47 -5.375 -0.113 5.326 1.00 32.25 C ATOM 715 C GLU A 47 -6.725 -0.655 4.863 1.00 4.42 C ATOM 716 O GLU A 47 -7.547 0.082 4.319 1.00 21.22 O ATOM 717 CB GLU A 47 -5.585 0.981 6.376 1.00 72.44 C ATOM 718 CG GLU A 47 -4.333 1.790 6.670 1.00 55.34 C ATOM 719 CD GLU A 47 -4.074 1.945 8.156 1.00 54.14 C ATOM 720 OE1 GLU A 47 -5.056 2.009 8.925 1.00 54.32 O ATOM 721 OE2 GLU A 47 -2.891 2.002 8.549 1.00 1.14 O ATOM 0 H GLU A 47 -4.953 1.289 3.825 1.00 55.33 H new ATOM 0 HA GLU A 47 -4.809 -0.931 5.772 1.00 32.25 H new ATOM 0 HB2 GLU A 47 -6.371 1.655 6.035 1.00 72.44 H new ATOM 0 HB3 GLU A 47 -5.937 0.523 7.300 1.00 72.44 H new ATOM 0 HG2 GLU A 47 -3.475 1.306 6.204 1.00 55.34 H new ATOM 0 HG3 GLU A 47 -4.428 2.777 6.217 1.00 55.34 H new ATOM 728 N MET A 48 -6.944 -1.947 5.083 1.00 40.13 N ATOM 729 CA MET A 48 -8.193 -2.587 4.688 1.00 34.34 C ATOM 730 C MET A 48 -9.292 -2.312 5.710 1.00 2.54 C ATOM 731 O MET A 48 -9.071 -1.615 6.702 1.00 74.34 O ATOM 732 CB MET A 48 -7.992 -4.096 4.534 1.00 45.11 C ATOM 733 CG MET A 48 -7.032 -4.469 3.415 1.00 34.22 C ATOM 734 SD MET A 48 -7.534 -3.799 1.818 1.00 23.11 S ATOM 735 CE MET A 48 -8.854 -4.926 1.377 1.00 31.24 C ATOM 0 H MET A 48 -6.274 -2.571 5.532 1.00 40.13 H new ATOM 0 HA MET A 48 -8.499 -2.168 3.729 1.00 34.34 H new ATOM 0 HB2 MET A 48 -7.618 -4.502 5.474 1.00 45.11 H new ATOM 0 HB3 MET A 48 -8.957 -4.566 4.346 1.00 45.11 H new ATOM 0 HG2 MET A 48 -6.035 -4.104 3.660 1.00 34.22 H new ATOM 0 HG3 MET A 48 -6.966 -5.555 3.345 1.00 34.22 H new ATOM 0 HE1 MET A 48 -9.267 -4.641 0.409 1.00 31.24 H new ATOM 0 HE2 MET A 48 -8.462 -5.941 1.319 1.00 31.24 H new ATOM 0 HE3 MET A 48 -9.638 -4.882 2.133 1.00 31.24 H new ATOM 745 N LYS A 49 -10.476 -2.862 5.463 1.00 43.42 N ATOM 746 CA LYS A 49 -11.609 -2.676 6.361 1.00 21.23 C ATOM 747 C LYS A 49 -11.217 -2.987 7.802 1.00 33.24 C ATOM 748 O LYS A 49 -11.258 -2.115 8.670 1.00 42.40 O ATOM 749 CB LYS A 49 -12.776 -3.570 5.935 1.00 41.54 C ATOM 750 CG LYS A 49 -14.104 -2.838 5.854 1.00 54.50 C ATOM 751 CD LYS A 49 -15.068 -3.534 4.909 1.00 75.44 C ATOM 752 CE LYS A 49 -15.438 -4.921 5.412 1.00 71.30 C ATOM 753 NZ LYS A 49 -16.862 -4.994 5.843 1.00 43.22 N ATOM 0 H LYS A 49 -10.676 -3.441 4.647 1.00 43.42 H new ATOM 0 HA LYS A 49 -11.919 -1.633 6.304 1.00 21.23 H new ATOM 0 HB2 LYS A 49 -12.552 -4.007 4.962 1.00 41.54 H new ATOM 0 HB3 LYS A 49 -12.868 -4.395 6.642 1.00 41.54 H new ATOM 0 HG2 LYS A 49 -14.548 -2.777 6.848 1.00 54.50 H new ATOM 0 HG3 LYS A 49 -13.937 -1.815 5.516 1.00 54.50 H new ATOM 0 HD2 LYS A 49 -15.971 -2.933 4.800 1.00 75.44 H new ATOM 0 HD3 LYS A 49 -14.616 -3.613 3.920 1.00 75.44 H new ATOM 0 HE2 LYS A 49 -15.259 -5.653 4.624 1.00 71.30 H new ATOM 0 HE3 LYS A 49 -14.792 -5.188 6.248 1.00 71.30 H new ATOM 0 HZ1 LYS A 49 -17.074 -5.955 6.179 1.00 43.22 H new ATOM 0 HZ2 LYS A 49 -17.027 -4.314 6.612 1.00 43.22 H new ATOM 0 HZ3 LYS A 49 -17.480 -4.764 5.039 1.00 43.22 H new ATOM 767 N LYS A 50 -10.837 -4.236 8.051 1.00 42.21 N ATOM 768 CA LYS A 50 -10.435 -4.662 9.386 1.00 64.21 C ATOM 769 C LYS A 50 -10.049 -6.138 9.393 1.00 43.15 C ATOM 770 O LYS A 50 -8.868 -6.480 9.467 1.00 74.13 O ATOM 771 CB LYS A 50 -11.567 -4.416 10.385 1.00 13.12 C ATOM 772 CG LYS A 50 -11.252 -3.339 11.408 1.00 11.44 C ATOM 773 CD LYS A 50 -12.486 -2.947 12.204 1.00 51.33 C ATOM 774 CE LYS A 50 -13.240 -1.806 11.537 1.00 62.11 C ATOM 775 NZ LYS A 50 -13.014 -0.510 12.234 1.00 11.30 N ATOM 0 H LYS A 50 -10.799 -4.971 7.345 1.00 42.21 H new ATOM 0 HA LYS A 50 -9.565 -4.075 9.680 1.00 64.21 H new ATOM 0 HB2 LYS A 50 -12.467 -4.134 9.839 1.00 13.12 H new ATOM 0 HB3 LYS A 50 -11.789 -5.347 10.907 1.00 13.12 H new ATOM 0 HG2 LYS A 50 -10.478 -3.697 12.087 1.00 11.44 H new ATOM 0 HG3 LYS A 50 -10.851 -2.461 10.902 1.00 11.44 H new ATOM 0 HD2 LYS A 50 -13.144 -3.810 12.305 1.00 51.33 H new ATOM 0 HD3 LYS A 50 -12.192 -2.651 13.211 1.00 51.33 H new ATOM 0 HE2 LYS A 50 -12.923 -1.720 10.498 1.00 62.11 H new ATOM 0 HE3 LYS A 50 -14.306 -2.032 11.527 1.00 62.11 H new ATOM 0 HZ1 LYS A 50 -13.544 0.242 11.749 1.00 11.30 H new ATOM 0 HZ2 LYS A 50 -13.340 -0.584 13.219 1.00 11.30 H new ATOM 0 HZ3 LYS A 50 -12.000 -0.281 12.221 1.00 11.30 H new ATOM 789 N ARG A 51 -11.051 -7.007 9.313 1.00 23.31 N ATOM 790 CA ARG A 51 -10.815 -8.446 9.310 1.00 74.13 C ATOM 791 C ARG A 51 -10.560 -8.952 7.893 1.00 55.12 C ATOM 792 O ARG A 51 -11.179 -9.919 7.446 1.00 43.32 O ATOM 793 CB ARG A 51 -12.011 -9.181 9.918 1.00 72.43 C ATOM 794 CG ARG A 51 -11.648 -10.512 10.555 1.00 23.35 C ATOM 795 CD ARG A 51 -12.888 -11.308 10.930 1.00 54.11 C ATOM 796 NE ARG A 51 -13.252 -11.127 12.333 1.00 41.12 N ATOM 797 CZ ARG A 51 -14.290 -11.726 12.906 1.00 1.41 C ATOM 798 NH1 ARG A 51 -15.062 -12.540 12.201 1.00 75.04 N ATOM 799 NH2 ARG A 51 -14.556 -11.511 14.188 1.00 14.41 N ATOM 0 H ARG A 51 -12.033 -6.740 9.249 1.00 23.31 H new ATOM 0 HA ARG A 51 -9.929 -8.645 9.913 1.00 74.13 H new ATOM 0 HB2 ARG A 51 -12.475 -8.543 10.670 1.00 72.43 H new ATOM 0 HB3 ARG A 51 -12.756 -9.351 9.140 1.00 72.43 H new ATOM 0 HG2 ARG A 51 -11.037 -11.093 9.864 1.00 23.35 H new ATOM 0 HG3 ARG A 51 -11.044 -10.338 11.445 1.00 23.35 H new ATOM 0 HD2 ARG A 51 -13.721 -11.001 10.297 1.00 54.11 H new ATOM 0 HD3 ARG A 51 -12.712 -12.366 10.735 1.00 54.11 H new ATOM 0 HE ARG A 51 -12.678 -10.507 12.904 1.00 41.12 H new ATOM 0 HH11 ARG A 51 -14.860 -12.708 11.215 1.00 75.04 H new ATOM 0 HH12 ARG A 51 -15.858 -12.998 12.644 1.00 75.04 H new ATOM 0 HH21 ARG A 51 -13.963 -10.886 14.734 1.00 14.41 H new ATOM 0 HH22 ARG A 51 -15.353 -11.971 14.628 1.00 14.41 H new ATOM 813 N THR A 52 -9.646 -8.291 7.190 1.00 63.43 N ATOM 814 CA THR A 52 -9.310 -8.672 5.824 1.00 60.24 C ATOM 815 C THR A 52 -7.879 -9.191 5.733 1.00 14.11 C ATOM 816 O THR A 52 -6.925 -8.451 5.969 1.00 4.24 O ATOM 817 CB THR A 52 -9.477 -7.488 4.853 1.00 2.31 C ATOM 818 OG1 THR A 52 -10.581 -6.672 5.260 1.00 34.54 O ATOM 819 CG2 THR A 52 -9.701 -7.980 3.431 1.00 24.34 C ATOM 0 H THR A 52 -9.125 -7.489 7.544 1.00 63.43 H new ATOM 0 HA THR A 52 -10.000 -9.466 5.539 1.00 60.24 H new ATOM 0 HB THR A 52 -8.561 -6.897 4.876 1.00 2.31 H new ATOM 0 HG1 THR A 52 -10.679 -5.921 4.638 1.00 34.54 H new ATOM 0 HG21 THR A 52 -9.816 -7.125 2.764 1.00 24.34 H new ATOM 0 HG22 THR A 52 -8.845 -8.576 3.113 1.00 24.34 H new ATOM 0 HG23 THR A 52 -10.602 -8.592 3.395 1.00 24.34 H new ATOM 827 N SER A 53 -7.738 -10.467 5.389 1.00 12.00 N ATOM 828 CA SER A 53 -6.423 -11.086 5.270 1.00 11.43 C ATOM 829 C SER A 53 -5.740 -10.665 3.973 1.00 41.23 C ATOM 830 O SER A 53 -6.298 -9.902 3.183 1.00 63.05 O ATOM 831 CB SER A 53 -6.546 -12.610 5.324 1.00 13.41 C ATOM 832 OG SER A 53 -7.718 -13.050 4.660 1.00 60.30 O ATOM 0 H SER A 53 -8.518 -11.092 5.188 1.00 12.00 H new ATOM 0 HA SER A 53 -5.813 -10.748 6.108 1.00 11.43 H new ATOM 0 HB2 SER A 53 -5.670 -13.065 4.862 1.00 13.41 H new ATOM 0 HB3 SER A 53 -6.567 -12.940 6.363 1.00 13.41 H new ATOM 0 HG SER A 53 -7.773 -14.027 4.707 1.00 60.30 H new ATOM 838 N LEU A 54 -4.529 -11.167 3.760 1.00 63.15 N ATOM 839 CA LEU A 54 -3.767 -10.844 2.558 1.00 72.32 C ATOM 840 C LEU A 54 -4.592 -11.111 1.303 1.00 40.44 C ATOM 841 O LEU A 54 -4.417 -10.448 0.281 1.00 40.42 O ATOM 842 CB LEU A 54 -2.474 -11.661 2.515 1.00 52.50 C ATOM 843 CG LEU A 54 -1.633 -11.520 1.246 1.00 52.43 C ATOM 844 CD1 LEU A 54 -1.143 -10.089 1.086 1.00 15.31 C ATOM 845 CD2 LEU A 54 -0.459 -12.487 1.274 1.00 70.12 C ATOM 0 H LEU A 54 -4.053 -11.799 4.404 1.00 63.15 H new ATOM 0 HA LEU A 54 -3.518 -9.783 2.589 1.00 72.32 H new ATOM 0 HB2 LEU A 54 -1.859 -11.375 3.368 1.00 52.50 H new ATOM 0 HB3 LEU A 54 -2.728 -12.713 2.643 1.00 52.50 H new ATOM 0 HG LEU A 54 -2.260 -11.766 0.389 1.00 52.43 H new ATOM 0 HD11 LEU A 54 -0.546 -10.008 0.177 1.00 15.31 H new ATOM 0 HD12 LEU A 54 -1.998 -9.417 1.019 1.00 15.31 H new ATOM 0 HD13 LEU A 54 -0.533 -9.815 1.946 1.00 15.31 H new ATOM 0 HD21 LEU A 54 0.128 -12.373 0.363 1.00 70.12 H new ATOM 0 HD22 LEU A 54 0.168 -12.273 2.139 1.00 70.12 H new ATOM 0 HD23 LEU A 54 -0.831 -13.509 1.340 1.00 70.12 H new ATOM 857 N ALA A 55 -5.493 -12.084 1.388 1.00 23.02 N ATOM 858 CA ALA A 55 -6.348 -12.435 0.261 1.00 65.01 C ATOM 859 C ALA A 55 -7.104 -11.216 -0.255 1.00 14.34 C ATOM 860 O ALA A 55 -7.362 -11.093 -1.451 1.00 44.14 O ATOM 861 CB ALA A 55 -7.322 -13.534 0.659 1.00 3.34 C ATOM 0 H ALA A 55 -5.650 -12.644 2.226 1.00 23.02 H new ATOM 0 HA ALA A 55 -5.712 -12.803 -0.544 1.00 65.01 H new ATOM 0 HB1 ALA A 55 -7.954 -13.786 -0.193 1.00 3.34 H new ATOM 0 HB2 ALA A 55 -6.766 -14.418 0.972 1.00 3.34 H new ATOM 0 HB3 ALA A 55 -7.945 -13.187 1.483 1.00 3.34 H new ATOM 867 N GLY A 56 -7.460 -10.316 0.658 1.00 44.24 N ATOM 868 CA GLY A 56 -8.185 -9.118 0.275 1.00 25.22 C ATOM 869 C GLY A 56 -7.312 -8.125 -0.466 1.00 55.53 C ATOM 870 O GLY A 56 -7.733 -7.546 -1.467 1.00 53.53 O ATOM 0 H GLY A 56 -7.259 -10.395 1.655 1.00 44.24 H new ATOM 0 HA2 GLY A 56 -9.031 -9.394 -0.355 1.00 25.22 H new ATOM 0 HA3 GLY A 56 -8.593 -8.643 1.167 1.00 25.22 H new ATOM 874 N MET A 57 -6.095 -7.925 0.027 1.00 64.22 N ATOM 875 CA MET A 57 -5.161 -6.994 -0.596 1.00 53.32 C ATOM 876 C MET A 57 -4.629 -7.555 -1.911 1.00 13.10 C ATOM 877 O MET A 57 -4.626 -6.870 -2.934 1.00 61.22 O ATOM 878 CB MET A 57 -3.998 -6.693 0.351 1.00 34.34 C ATOM 879 CG MET A 57 -4.403 -5.884 1.573 1.00 32.40 C ATOM 880 SD MET A 57 -4.027 -4.130 1.400 1.00 1.41 S ATOM 881 CE MET A 57 -4.567 -3.832 -0.281 1.00 52.44 C ATOM 0 H MET A 57 -5.732 -8.395 0.856 1.00 64.22 H new ATOM 0 HA MET A 57 -5.697 -6.069 -0.807 1.00 53.32 H new ATOM 0 HB2 MET A 57 -3.554 -7.633 0.679 1.00 34.34 H new ATOM 0 HB3 MET A 57 -3.227 -6.150 -0.195 1.00 34.34 H new ATOM 0 HG2 MET A 57 -5.472 -6.007 1.747 1.00 32.40 H new ATOM 0 HG3 MET A 57 -3.890 -6.277 2.451 1.00 32.40 H new ATOM 0 HE1 MET A 57 -4.302 -2.816 -0.574 1.00 52.44 H new ATOM 0 HE2 MET A 57 -4.080 -4.541 -0.951 1.00 52.44 H new ATOM 0 HE3 MET A 57 -5.648 -3.957 -0.344 1.00 52.44 H new ATOM 891 N LYS A 58 -4.180 -8.805 -1.877 1.00 2.22 N ATOM 892 CA LYS A 58 -3.646 -9.459 -3.065 1.00 60.24 C ATOM 893 C LYS A 58 -4.642 -9.390 -4.218 1.00 73.33 C ATOM 894 O LYS A 58 -4.254 -9.304 -5.384 1.00 35.24 O ATOM 895 CB LYS A 58 -3.305 -10.919 -2.759 1.00 24.20 C ATOM 896 CG LYS A 58 -4.518 -11.832 -2.718 1.00 10.10 C ATOM 897 CD LYS A 58 -4.117 -13.284 -2.518 1.00 12.23 C ATOM 898 CE LYS A 58 -3.319 -13.470 -1.237 1.00 4.14 C ATOM 899 NZ LYS A 58 -3.390 -14.871 -0.737 1.00 51.01 N ATOM 0 H LYS A 58 -4.175 -9.386 -1.038 1.00 2.22 H new ATOM 0 HA LYS A 58 -2.738 -8.934 -3.361 1.00 60.24 H new ATOM 0 HB2 LYS A 58 -2.610 -11.287 -3.514 1.00 24.20 H new ATOM 0 HB3 LYS A 58 -2.790 -10.970 -1.800 1.00 24.20 H new ATOM 0 HG2 LYS A 58 -5.181 -11.522 -1.910 1.00 10.10 H new ATOM 0 HG3 LYS A 58 -5.080 -11.733 -3.647 1.00 10.10 H new ATOM 0 HD2 LYS A 58 -5.010 -13.908 -2.486 1.00 12.23 H new ATOM 0 HD3 LYS A 58 -3.524 -13.620 -3.369 1.00 12.23 H new ATOM 0 HE2 LYS A 58 -2.278 -13.201 -1.415 1.00 4.14 H new ATOM 0 HE3 LYS A 58 -3.697 -12.792 -0.472 1.00 4.14 H new ATOM 0 HZ1 LYS A 58 -2.833 -14.956 0.137 1.00 51.01 H new ATOM 0 HZ2 LYS A 58 -4.381 -15.120 -0.542 1.00 51.01 H new ATOM 0 HZ3 LYS A 58 -3.006 -15.516 -1.456 1.00 51.01 H new ATOM 913 N LYS A 59 -5.928 -9.427 -3.886 1.00 33.21 N ATOM 914 CA LYS A 59 -6.981 -9.366 -4.893 1.00 33.04 C ATOM 915 C LYS A 59 -6.842 -8.112 -5.750 1.00 71.21 C ATOM 916 O LYS A 59 -7.143 -8.128 -6.944 1.00 52.14 O ATOM 917 CB LYS A 59 -8.357 -9.389 -4.223 1.00 52.31 C ATOM 918 CG LYS A 59 -9.053 -10.736 -4.309 1.00 54.12 C ATOM 919 CD LYS A 59 -9.833 -10.879 -5.605 1.00 55.44 C ATOM 920 CE LYS A 59 -11.311 -11.126 -5.342 1.00 61.33 C ATOM 921 NZ LYS A 59 -12.042 -9.862 -5.049 1.00 62.35 N ATOM 0 H LYS A 59 -6.266 -9.499 -2.926 1.00 33.21 H new ATOM 0 HA LYS A 59 -6.883 -10.239 -5.539 1.00 33.04 H new ATOM 0 HB2 LYS A 59 -8.246 -9.113 -3.174 1.00 52.31 H new ATOM 0 HB3 LYS A 59 -8.990 -8.632 -4.686 1.00 52.31 H new ATOM 0 HG2 LYS A 59 -8.314 -11.534 -4.238 1.00 54.12 H new ATOM 0 HG3 LYS A 59 -9.729 -10.852 -3.462 1.00 54.12 H new ATOM 0 HD2 LYS A 59 -9.715 -9.976 -6.203 1.00 55.44 H new ATOM 0 HD3 LYS A 59 -9.423 -11.704 -6.188 1.00 55.44 H new ATOM 0 HE2 LYS A 59 -11.758 -11.611 -6.210 1.00 61.33 H new ATOM 0 HE3 LYS A 59 -11.421 -11.812 -4.502 1.00 61.33 H new ATOM 0 HZ1 LYS A 59 -13.045 -10.073 -4.876 1.00 62.35 H new ATOM 0 HZ2 LYS A 59 -11.632 -9.412 -4.206 1.00 62.35 H new ATOM 0 HZ3 LYS A 59 -11.959 -9.217 -5.861 1.00 62.35 H new ATOM 935 N LEU A 60 -6.383 -7.028 -5.135 1.00 32.14 N ATOM 936 CA LEU A 60 -6.202 -5.765 -5.842 1.00 74.32 C ATOM 937 C LEU A 60 -4.875 -5.747 -6.593 1.00 4.24 C ATOM 938 O LEU A 60 -4.787 -5.229 -7.706 1.00 71.04 O ATOM 939 CB LEU A 60 -6.262 -4.594 -4.860 1.00 35.42 C ATOM 940 CG LEU A 60 -7.644 -4.264 -4.293 1.00 24.12 C ATOM 941 CD1 LEU A 60 -8.074 -5.320 -3.287 1.00 20.14 C ATOM 942 CD2 LEU A 60 -7.641 -2.884 -3.652 1.00 1.20 C ATOM 0 H LEU A 60 -6.129 -6.998 -4.148 1.00 32.14 H new ATOM 0 HA LEU A 60 -7.010 -5.664 -6.567 1.00 74.32 H new ATOM 0 HB2 LEU A 60 -5.592 -4.809 -4.028 1.00 35.42 H new ATOM 0 HB3 LEU A 60 -5.875 -3.706 -5.360 1.00 35.42 H new ATOM 0 HG LEU A 60 -8.361 -4.260 -5.114 1.00 24.12 H new ATOM 0 HD11 LEU A 60 -9.059 -5.069 -2.894 1.00 20.14 H new ATOM 0 HD12 LEU A 60 -8.116 -6.293 -3.776 1.00 20.14 H new ATOM 0 HD13 LEU A 60 -7.356 -5.356 -2.468 1.00 20.14 H new ATOM 0 HD21 LEU A 60 -8.632 -2.666 -3.254 1.00 1.20 H new ATOM 0 HD22 LEU A 60 -6.911 -2.860 -2.842 1.00 1.20 H new ATOM 0 HD23 LEU A 60 -7.377 -2.136 -4.400 1.00 1.20 H new ATOM 954 N ILE A 61 -3.845 -6.317 -5.976 1.00 44.41 N ATOM 955 CA ILE A 61 -2.522 -6.368 -6.587 1.00 74.24 C ATOM 956 C ILE A 61 -2.109 -7.806 -6.884 1.00 14.15 C ATOM 957 O ILE A 61 -1.344 -8.423 -6.143 1.00 21.23 O ATOM 958 CB ILE A 61 -1.459 -5.716 -5.684 1.00 41.04 C ATOM 959 CG1 ILE A 61 -2.080 -4.584 -4.864 1.00 1.41 C ATOM 960 CG2 ILE A 61 -0.300 -5.197 -6.522 1.00 4.44 C ATOM 961 CD1 ILE A 61 -2.717 -3.504 -5.710 1.00 11.41 C ATOM 0 H ILE A 61 -3.901 -6.750 -5.054 1.00 44.41 H new ATOM 0 HA ILE A 61 -2.584 -5.810 -7.521 1.00 74.24 H new ATOM 0 HB ILE A 61 -1.076 -6.469 -4.996 1.00 41.04 H new ATOM 0 HG12 ILE A 61 -2.833 -5.001 -4.195 1.00 1.41 H new ATOM 0 HG13 ILE A 61 -1.310 -4.136 -4.237 1.00 1.41 H new ATOM 0 HG21 ILE A 61 0.444 -4.739 -5.870 1.00 4.44 H new ATOM 0 HG22 ILE A 61 0.155 -6.025 -7.066 1.00 4.44 H new ATOM 0 HG23 ILE A 61 -0.667 -4.455 -7.231 1.00 4.44 H new ATOM 0 HD11 ILE A 61 -3.137 -2.734 -5.062 1.00 11.41 H new ATOM 0 HD12 ILE A 61 -1.964 -3.060 -6.360 1.00 11.41 H new ATOM 0 HD13 ILE A 61 -3.510 -3.939 -6.318 1.00 11.41 H new ATOM 973 N PRO A 62 -2.626 -8.353 -7.994 1.00 21.22 N ATOM 974 CA PRO A 62 -2.323 -9.724 -8.415 1.00 61.23 C ATOM 975 C PRO A 62 -0.883 -9.879 -8.891 1.00 25.51 C ATOM 976 O PRO A 62 -0.554 -9.541 -10.027 1.00 62.11 O ATOM 977 CB PRO A 62 -3.297 -9.963 -9.572 1.00 23.01 C ATOM 978 CG PRO A 62 -3.592 -8.604 -10.106 1.00 4.23 C ATOM 979 CD PRO A 62 -3.545 -7.676 -8.924 1.00 10.44 C ATOM 0 HA PRO A 62 -2.430 -10.435 -7.596 1.00 61.23 H new ATOM 0 HB2 PRO A 62 -2.854 -10.601 -10.337 1.00 23.01 H new ATOM 0 HB3 PRO A 62 -4.205 -10.459 -9.229 1.00 23.01 H new ATOM 0 HG2 PRO A 62 -2.860 -8.313 -10.860 1.00 4.23 H new ATOM 0 HG3 PRO A 62 -4.571 -8.577 -10.585 1.00 4.23 H new ATOM 0 HD2 PRO A 62 -3.178 -6.688 -9.203 1.00 10.44 H new ATOM 0 HD3 PRO A 62 -4.532 -7.537 -8.483 1.00 10.44 H new ATOM 987 N GLY A 63 -0.026 -10.394 -8.013 1.00 74.33 N ATOM 988 CA GLY A 63 1.369 -10.586 -8.363 1.00 1.51 C ATOM 989 C GLY A 63 2.269 -9.528 -7.755 1.00 41.15 C ATOM 990 O GLY A 63 3.087 -8.926 -8.450 1.00 63.03 O ATOM 0 H GLY A 63 -0.274 -10.681 -7.066 1.00 74.33 H new ATOM 0 HA2 GLY A 63 1.693 -11.571 -8.027 1.00 1.51 H new ATOM 0 HA3 GLY A 63 1.474 -10.569 -9.448 1.00 1.51 H new ATOM 994 N ALA A 64 2.117 -9.300 -6.455 1.00 41.51 N ATOM 995 CA ALA A 64 2.923 -8.308 -5.754 1.00 42.43 C ATOM 996 C ALA A 64 3.404 -8.842 -4.409 1.00 51.24 C ATOM 997 O ALA A 64 2.877 -9.830 -3.898 1.00 73.43 O ATOM 998 CB ALA A 64 2.130 -7.024 -5.561 1.00 51.35 C ATOM 0 H ALA A 64 1.443 -9.789 -5.866 1.00 41.51 H new ATOM 0 HA ALA A 64 3.800 -8.092 -6.364 1.00 42.43 H new ATOM 0 HB1 ALA A 64 2.744 -6.292 -5.036 1.00 51.35 H new ATOM 0 HB2 ALA A 64 1.841 -6.625 -6.533 1.00 51.35 H new ATOM 0 HB3 ALA A 64 1.235 -7.234 -4.975 1.00 51.35 H new ATOM 1004 N HIS A 65 4.408 -8.182 -3.841 1.00 22.34 N ATOM 1005 CA HIS A 65 4.960 -8.591 -2.554 1.00 21.50 C ATOM 1006 C HIS A 65 4.314 -7.812 -1.413 1.00 1.51 C ATOM 1007 O HIS A 65 4.524 -6.606 -1.274 1.00 24.42 O ATOM 1008 CB HIS A 65 6.475 -8.384 -2.536 1.00 12.13 C ATOM 1009 CG HIS A 65 7.179 -9.204 -1.499 1.00 43.12 C ATOM 1010 ND1 HIS A 65 8.427 -9.757 -1.697 1.00 72.13 N ATOM 1011 CD2 HIS A 65 6.805 -9.562 -0.249 1.00 32.12 C ATOM 1012 CE1 HIS A 65 8.788 -10.422 -0.614 1.00 43.42 C ATOM 1013 NE2 HIS A 65 7.822 -10.318 0.280 1.00 73.40 N ATOM 0 H HIS A 65 4.856 -7.362 -4.251 1.00 22.34 H new ATOM 0 HA HIS A 65 4.744 -9.650 -2.414 1.00 21.50 H new ATOM 0 HB2 HIS A 65 6.879 -8.630 -3.518 1.00 12.13 H new ATOM 0 HB3 HIS A 65 6.687 -7.330 -2.359 1.00 12.13 H new ATOM 0 HD2 HIS A 65 5.879 -9.302 0.242 1.00 32.12 H new ATOM 0 HE1 HIS A 65 9.716 -10.959 -0.482 1.00 43.42 H new ATOM 0 HE2 HIS A 65 7.830 -10.732 1.212 1.00 73.40 H new ATOM 1021 N PHE A 66 3.526 -8.507 -0.599 1.00 4.40 N ATOM 1022 CA PHE A 66 2.848 -7.879 0.529 1.00 41.10 C ATOM 1023 C PHE A 66 3.443 -8.351 1.853 1.00 73.05 C ATOM 1024 O PHE A 66 4.057 -9.415 1.924 1.00 50.21 O ATOM 1025 CB PHE A 66 1.351 -8.192 0.489 1.00 12.52 C ATOM 1026 CG PHE A 66 0.530 -7.112 -0.156 1.00 51.11 C ATOM 1027 CD1 PHE A 66 0.429 -7.031 -1.536 1.00 4.44 C ATOM 1028 CD2 PHE A 66 -0.141 -6.178 0.617 1.00 42.20 C ATOM 1029 CE1 PHE A 66 -0.325 -6.038 -2.133 1.00 35.54 C ATOM 1030 CE2 PHE A 66 -0.897 -5.184 0.026 1.00 55.14 C ATOM 1031 CZ PHE A 66 -0.989 -5.113 -1.351 1.00 21.32 C ATOM 0 H PHE A 66 3.341 -9.505 -0.700 1.00 4.40 H new ATOM 0 HA PHE A 66 2.989 -6.801 0.452 1.00 41.10 H new ATOM 0 HB2 PHE A 66 1.198 -9.126 -0.052 1.00 12.52 H new ATOM 0 HB3 PHE A 66 0.994 -8.350 1.507 1.00 12.52 H new ATOM 0 HD1 PHE A 66 0.945 -7.752 -2.152 1.00 4.44 H new ATOM 0 HD2 PHE A 66 -0.072 -6.228 1.694 1.00 42.20 H new ATOM 0 HE1 PHE A 66 -0.395 -5.985 -3.209 1.00 35.54 H new ATOM 0 HE2 PHE A 66 -1.416 -4.463 0.640 1.00 55.14 H new ATOM 0 HZ PHE A 66 -1.579 -4.336 -1.815 1.00 21.32 H new ATOM 1041 N GLU A 67 3.255 -7.551 2.898 1.00 63.04 N ATOM 1042 CA GLU A 67 3.774 -7.886 4.218 1.00 25.43 C ATOM 1043 C GLU A 67 2.895 -7.294 5.315 1.00 35.03 C ATOM 1044 O GLU A 67 2.841 -6.077 5.496 1.00 64.34 O ATOM 1045 CB GLU A 67 5.210 -7.378 4.371 1.00 72.44 C ATOM 1046 CG GLU A 67 6.254 -8.481 4.326 1.00 32.51 C ATOM 1047 CD GLU A 67 7.629 -8.000 4.746 1.00 61.30 C ATOM 1048 OE1 GLU A 67 8.014 -6.882 4.344 1.00 60.21 O ATOM 1049 OE2 GLU A 67 8.320 -8.741 5.476 1.00 63.13 O ATOM 0 H GLU A 67 2.748 -6.667 2.856 1.00 63.04 H new ATOM 0 HA GLU A 67 3.768 -8.971 4.317 1.00 25.43 H new ATOM 0 HB2 GLU A 67 5.419 -6.659 3.578 1.00 72.44 H new ATOM 0 HB3 GLU A 67 5.299 -6.844 5.317 1.00 72.44 H new ATOM 0 HG2 GLU A 67 5.944 -9.297 4.979 1.00 32.51 H new ATOM 0 HG3 GLU A 67 6.307 -8.884 3.315 1.00 32.51 H new ATOM 1056 N LYS A 68 2.204 -8.163 6.046 1.00 65.32 N ATOM 1057 CA LYS A 68 1.327 -7.729 7.126 1.00 13.11 C ATOM 1058 C LYS A 68 1.966 -7.991 8.486 1.00 64.23 C ATOM 1059 O LYS A 68 1.282 -8.020 9.509 1.00 42.22 O ATOM 1060 CB LYS A 68 -0.021 -8.449 7.037 1.00 64.10 C ATOM 1061 CG LYS A 68 -1.121 -7.783 7.845 1.00 40.03 C ATOM 1062 CD LYS A 68 -2.117 -8.800 8.375 1.00 32.42 C ATOM 1063 CE LYS A 68 -3.325 -8.122 9.003 1.00 75.42 C ATOM 1064 NZ LYS A 68 -3.134 -7.887 10.461 1.00 51.33 N ATOM 0 H LYS A 68 2.235 -9.173 5.909 1.00 65.32 H new ATOM 0 HA LYS A 68 1.167 -6.656 7.020 1.00 13.11 H new ATOM 0 HB2 LYS A 68 -0.328 -8.499 5.992 1.00 64.10 H new ATOM 0 HB3 LYS A 68 0.101 -9.475 7.383 1.00 64.10 H new ATOM 0 HG2 LYS A 68 -0.681 -7.235 8.678 1.00 40.03 H new ATOM 0 HG3 LYS A 68 -1.640 -7.054 7.223 1.00 40.03 H new ATOM 0 HD2 LYS A 68 -2.444 -9.448 7.562 1.00 32.42 H new ATOM 0 HD3 LYS A 68 -1.630 -9.436 9.114 1.00 32.42 H new ATOM 0 HE2 LYS A 68 -3.508 -7.171 8.503 1.00 75.42 H new ATOM 0 HE3 LYS A 68 -4.210 -8.740 8.848 1.00 75.42 H new ATOM 0 HZ1 LYS A 68 -3.979 -7.423 10.852 1.00 51.33 H new ATOM 0 HZ2 LYS A 68 -2.984 -8.797 10.943 1.00 51.33 H new ATOM 0 HZ3 LYS A 68 -2.305 -7.277 10.609 1.00 51.33 H new ATOM 1078 N ARG A 69 3.282 -8.181 8.489 1.00 12.31 N ATOM 1079 CA ARG A 69 4.013 -8.440 9.723 1.00 22.13 C ATOM 1080 C ARG A 69 4.154 -7.165 10.550 1.00 63.22 C ATOM 1081 O ARG A 69 4.702 -7.186 11.652 1.00 15.14 O ATOM 1082 CB ARG A 69 5.396 -9.014 9.411 1.00 44.34 C ATOM 1083 CG ARG A 69 5.398 -10.519 9.199 1.00 1.12 C ATOM 1084 CD ARG A 69 6.703 -10.993 8.579 1.00 3.15 C ATOM 1085 NE ARG A 69 7.715 -11.286 9.591 1.00 1.42 N ATOM 1086 CZ ARG A 69 9.018 -11.332 9.336 1.00 52.21 C ATOM 1087 NH1 ARG A 69 9.465 -11.105 8.108 1.00 34.33 N ATOM 1088 NH2 ARG A 69 9.877 -11.605 10.310 1.00 52.42 N ATOM 0 H ARG A 69 3.863 -8.160 7.651 1.00 12.31 H new ATOM 0 HA ARG A 69 3.448 -9.168 10.304 1.00 22.13 H new ATOM 0 HB2 ARG A 69 5.788 -8.529 8.517 1.00 44.34 H new ATOM 0 HB3 ARG A 69 6.074 -8.770 10.229 1.00 44.34 H new ATOM 0 HG2 ARG A 69 5.244 -11.022 10.154 1.00 1.12 H new ATOM 0 HG3 ARG A 69 4.565 -10.798 8.554 1.00 1.12 H new ATOM 0 HD2 ARG A 69 6.518 -11.886 7.982 1.00 3.15 H new ATOM 0 HD3 ARG A 69 7.080 -10.229 7.900 1.00 3.15 H new ATOM 0 HE ARG A 69 7.404 -11.465 10.546 1.00 1.42 H new ATOM 0 HH11 ARG A 69 8.808 -10.895 7.357 1.00 34.33 H new ATOM 0 HH12 ARG A 69 10.466 -11.141 7.915 1.00 34.33 H new ATOM 0 HH21 ARG A 69 9.537 -11.780 11.256 1.00 52.42 H new ATOM 0 HH22 ARG A 69 10.877 -11.640 10.113 1.00 52.42 H new ATOM 1102 N ARG A 70 3.658 -6.058 10.009 1.00 52.51 N ATOM 1103 CA ARG A 70 3.730 -4.773 10.695 1.00 22.32 C ATOM 1104 C ARG A 70 5.173 -4.283 10.781 1.00 72.22 C ATOM 1105 O ARG A 70 5.646 -3.897 11.849 1.00 73.41 O ATOM 1106 CB ARG A 70 3.135 -4.887 12.100 1.00 72.23 C ATOM 1107 CG ARG A 70 1.849 -5.696 12.152 1.00 12.43 C ATOM 1108 CD ARG A 70 2.062 -7.038 12.834 1.00 62.23 C ATOM 1109 NE ARG A 70 0.892 -7.454 13.602 1.00 21.04 N ATOM 1110 CZ ARG A 70 0.795 -8.628 14.216 1.00 23.03 C ATOM 1111 NH1 ARG A 70 1.794 -9.498 14.152 1.00 0.31 N ATOM 1112 NH2 ARG A 70 -0.302 -8.934 14.897 1.00 50.23 N ATOM 0 H ARG A 70 3.202 -6.024 9.097 1.00 52.51 H new ATOM 0 HA ARG A 70 3.152 -4.050 10.120 1.00 22.32 H new ATOM 0 HB2 ARG A 70 3.870 -5.346 12.761 1.00 72.23 H new ATOM 0 HB3 ARG A 70 2.941 -3.886 12.486 1.00 72.23 H new ATOM 0 HG2 ARG A 70 1.085 -5.132 12.687 1.00 12.43 H new ATOM 0 HG3 ARG A 70 1.477 -5.856 11.140 1.00 12.43 H new ATOM 0 HD2 ARG A 70 2.290 -7.794 12.083 1.00 62.23 H new ATOM 0 HD3 ARG A 70 2.926 -6.975 13.495 1.00 62.23 H new ATOM 0 HE ARG A 70 0.106 -6.808 13.671 1.00 21.04 H new ATOM 0 HH11 ARG A 70 2.639 -9.266 13.630 1.00 0.31 H new ATOM 0 HH12 ARG A 70 1.717 -10.399 14.624 1.00 0.31 H new ATOM 0 HH21 ARG A 70 -1.072 -8.267 14.950 1.00 50.23 H new ATOM 0 HH22 ARG A 70 -0.375 -9.836 15.368 1.00 50.23 H new ATOM 1126 N GLY A 71 5.867 -4.302 9.647 1.00 23.31 N ATOM 1127 CA GLY A 71 7.249 -3.858 9.616 1.00 74.52 C ATOM 1128 C GLY A 71 7.377 -2.353 9.741 1.00 70.34 C ATOM 1129 O GLY A 71 8.484 -1.822 9.837 1.00 71.15 O ATOM 0 H GLY A 71 5.497 -4.617 8.750 1.00 23.31 H new ATOM 0 HA2 GLY A 71 7.799 -4.335 10.427 1.00 74.52 H new ATOM 0 HA3 GLY A 71 7.711 -4.183 8.684 1.00 74.52 H new ATOM 1133 N THR A 72 6.241 -1.662 9.738 1.00 45.31 N ATOM 1134 CA THR A 72 6.231 -0.209 9.849 1.00 44.43 C ATOM 1135 C THR A 72 4.871 0.298 10.315 1.00 62.14 C ATOM 1136 O THR A 72 4.451 1.396 9.952 1.00 53.04 O ATOM 1137 CB THR A 72 6.583 0.460 8.506 1.00 31.31 C ATOM 1138 OG1 THR A 72 7.113 -0.513 7.599 1.00 74.14 O ATOM 1139 CG2 THR A 72 7.595 1.578 8.707 1.00 70.43 C ATOM 0 H THR A 72 5.316 -2.086 9.660 1.00 45.31 H new ATOM 0 HA THR A 72 6.987 0.056 10.588 1.00 44.43 H new ATOM 0 HB THR A 72 5.672 0.888 8.088 1.00 31.31 H new ATOM 0 HG1 THR A 72 7.333 -0.081 6.747 1.00 74.14 H new ATOM 0 HG21 THR A 72 7.828 2.035 7.745 1.00 70.43 H new ATOM 0 HG22 THR A 72 7.177 2.331 9.375 1.00 70.43 H new ATOM 0 HG23 THR A 72 8.506 1.170 9.145 1.00 70.43 H new ATOM 1147 N GLN A 73 4.189 -0.509 11.121 1.00 72.14 N ATOM 1148 CA GLN A 73 2.875 -0.141 11.636 1.00 63.22 C ATOM 1149 C GLN A 73 2.924 1.215 12.331 1.00 12.23 C ATOM 1150 O GLN A 73 3.369 1.323 13.473 1.00 2.10 O ATOM 1151 CB GLN A 73 2.368 -1.208 12.608 1.00 61.14 C ATOM 1152 CG GLN A 73 1.109 -0.800 13.356 1.00 63.31 C ATOM 1153 CD GLN A 73 1.375 -0.477 14.813 1.00 64.21 C ATOM 1154 OE1 GLN A 73 1.433 0.690 15.202 1.00 71.25 O ATOM 1155 NE2 GLN A 73 1.539 -1.512 15.629 1.00 62.13 N ATOM 0 H GLN A 73 4.524 -1.421 11.431 1.00 72.14 H new ATOM 0 HA GLN A 73 2.188 -0.072 10.793 1.00 63.22 H new ATOM 0 HB2 GLN A 73 2.171 -2.127 12.056 1.00 61.14 H new ATOM 0 HB3 GLN A 73 3.153 -1.432 13.330 1.00 61.14 H new ATOM 0 HG2 GLN A 73 0.668 0.070 12.870 1.00 63.31 H new ATOM 0 HG3 GLN A 73 0.377 -1.605 13.294 1.00 63.31 H new ATOM 0 HE21 GLN A 73 1.483 -2.463 15.264 1.00 62.13 H new ATOM 0 HE22 GLN A 73 1.721 -1.356 16.620 1.00 62.13 H new ATOM 1164 N GLY A 74 2.462 2.249 11.634 1.00 3.33 N ATOM 1165 CA GLY A 74 2.463 3.585 12.201 1.00 54.30 C ATOM 1166 C GLY A 74 3.716 4.363 11.852 1.00 22.21 C ATOM 1167 O GLY A 74 3.714 5.593 11.863 1.00 12.23 O ATOM 0 H GLY A 74 2.087 2.185 10.687 1.00 3.33 H new ATOM 0 HA2 GLY A 74 1.590 4.129 11.842 1.00 54.30 H new ATOM 0 HA3 GLY A 74 2.372 3.516 13.285 1.00 54.30 H new ATOM 1171 N GLU A 75 4.790 3.643 11.543 1.00 4.12 N ATOM 1172 CA GLU A 75 6.057 4.275 11.192 1.00 21.53 C ATOM 1173 C GLU A 75 6.033 4.779 9.752 1.00 21.31 C ATOM 1174 O GLU A 75 6.725 5.736 9.407 1.00 65.42 O ATOM 1175 CB GLU A 75 7.213 3.290 11.380 1.00 32.52 C ATOM 1176 CG GLU A 75 7.799 3.299 12.782 1.00 34.21 C ATOM 1177 CD GLU A 75 9.202 3.871 12.824 1.00 2.31 C ATOM 1178 OE1 GLU A 75 10.143 3.164 12.408 1.00 64.32 O ATOM 1179 OE2 GLU A 75 9.360 5.026 13.273 1.00 35.31 O ATOM 0 H GLU A 75 4.808 2.623 11.529 1.00 4.12 H new ATOM 0 HA GLU A 75 6.204 5.128 11.855 1.00 21.53 H new ATOM 0 HB2 GLU A 75 6.863 2.284 11.148 1.00 32.52 H new ATOM 0 HB3 GLU A 75 8.001 3.527 10.665 1.00 32.52 H new ATOM 0 HG2 GLU A 75 7.153 3.883 13.438 1.00 34.21 H new ATOM 0 HG3 GLU A 75 7.814 2.281 13.172 1.00 34.21 H new ATOM 1186 N ALA A 76 5.231 4.127 8.916 1.00 24.45 N ATOM 1187 CA ALA A 76 5.116 4.509 7.515 1.00 75.34 C ATOM 1188 C ALA A 76 4.442 5.869 7.370 1.00 4.43 C ATOM 1189 O ALA A 76 4.448 6.464 6.292 1.00 31.13 O ATOM 1190 CB ALA A 76 4.343 3.451 6.741 1.00 35.44 C ATOM 0 H ALA A 76 4.652 3.332 9.185 1.00 24.45 H new ATOM 0 HA ALA A 76 6.122 4.585 7.102 1.00 75.34 H new ATOM 0 HB1 ALA A 76 4.265 3.750 5.696 1.00 35.44 H new ATOM 0 HB2 ALA A 76 4.866 2.497 6.808 1.00 35.44 H new ATOM 0 HB3 ALA A 76 3.344 3.348 7.165 1.00 35.44 H new ATOM 1196 N ARG A 77 3.863 6.356 8.463 1.00 52.55 N ATOM 1197 CA ARG A 77 3.184 7.647 8.456 1.00 34.54 C ATOM 1198 C ARG A 77 4.188 8.789 8.344 1.00 3.45 C ATOM 1199 O ARG A 77 3.832 9.909 7.978 1.00 32.20 O ATOM 1200 CB ARG A 77 2.346 7.812 9.726 1.00 61.01 C ATOM 1201 CG ARG A 77 1.200 8.799 9.575 1.00 20.21 C ATOM 1202 CD ARG A 77 -0.125 8.183 9.998 1.00 5.23 C ATOM 1203 NE ARG A 77 -1.213 9.157 9.976 1.00 4.15 N ATOM 1204 CZ ARG A 77 -2.398 8.947 10.537 1.00 75.22 C ATOM 1205 NH1 ARG A 77 -2.648 7.803 11.160 1.00 45.31 N ATOM 1206 NH2 ARG A 77 -3.338 9.882 10.475 1.00 70.31 N ATOM 0 H ARG A 77 3.850 5.877 9.363 1.00 52.55 H new ATOM 0 HA ARG A 77 2.526 7.679 7.587 1.00 34.54 H new ATOM 0 HB2 ARG A 77 1.943 6.841 10.014 1.00 61.01 H new ATOM 0 HB3 ARG A 77 2.994 8.142 10.538 1.00 61.01 H new ATOM 0 HG2 ARG A 77 1.400 9.685 10.178 1.00 20.21 H new ATOM 0 HG3 ARG A 77 1.135 9.127 8.538 1.00 20.21 H new ATOM 0 HD2 ARG A 77 -0.368 7.353 9.334 1.00 5.23 H new ATOM 0 HD3 ARG A 77 -0.029 7.770 11.002 1.00 5.23 H new ATOM 0 HE ARG A 77 -1.054 10.047 9.504 1.00 4.15 H new ATOM 0 HH11 ARG A 77 -1.929 7.081 11.209 1.00 45.31 H new ATOM 0 HH12 ARG A 77 -3.559 7.645 11.590 1.00 45.31 H new ATOM 0 HH21 ARG A 77 -3.150 10.763 9.996 1.00 70.31 H new ATOM 0 HH22 ARG A 77 -4.248 9.720 10.906 1.00 70.31 H new ATOM 1220 N ALA A 78 5.445 8.499 8.663 1.00 24.33 N ATOM 1221 CA ALA A 78 6.502 9.501 8.597 1.00 34.01 C ATOM 1222 C ALA A 78 7.484 9.190 7.473 1.00 23.44 C ATOM 1223 O ALA A 78 7.619 9.960 6.522 1.00 23.04 O ATOM 1224 CB ALA A 78 7.231 9.588 9.930 1.00 71.04 C ATOM 0 H ALA A 78 5.757 7.578 8.970 1.00 24.33 H new ATOM 0 HA ALA A 78 6.041 10.466 8.384 1.00 34.01 H new ATOM 0 HB1 ALA A 78 8.017 10.340 9.866 1.00 71.04 H new ATOM 0 HB2 ALA A 78 6.526 9.866 10.713 1.00 71.04 H new ATOM 0 HB3 ALA A 78 7.673 8.620 10.167 1.00 71.04 H new ATOM 1230 N TYR A 79 8.169 8.057 7.589 1.00 15.03 N ATOM 1231 CA TYR A 79 9.142 7.646 6.584 1.00 34.34 C ATOM 1232 C TYR A 79 8.458 7.351 5.253 1.00 61.03 C ATOM 1233 O TYR A 79 8.868 7.855 4.207 1.00 71.41 O ATOM 1234 CB TYR A 79 9.908 6.411 7.061 1.00 33.44 C ATOM 1235 CG TYR A 79 10.712 5.739 5.972 1.00 71.44 C ATOM 1236 CD1 TYR A 79 11.520 6.481 5.119 1.00 10.23 C ATOM 1237 CD2 TYR A 79 10.663 4.362 5.793 1.00 22.45 C ATOM 1238 CE1 TYR A 79 12.256 5.872 4.122 1.00 61.23 C ATOM 1239 CE2 TYR A 79 11.397 3.744 4.800 1.00 70.44 C ATOM 1240 CZ TYR A 79 12.192 4.503 3.966 1.00 33.22 C ATOM 1241 OH TYR A 79 12.923 3.891 2.974 1.00 40.00 O ATOM 0 H TYR A 79 8.068 7.407 8.369 1.00 15.03 H new ATOM 0 HA TYR A 79 9.844 8.467 6.437 1.00 34.34 H new ATOM 0 HB2 TYR A 79 10.579 6.700 7.870 1.00 33.44 H new ATOM 0 HB3 TYR A 79 9.200 5.692 7.475 1.00 33.44 H new ATOM 0 HD1 TYR A 79 11.573 7.553 5.238 1.00 10.23 H new ATOM 0 HD2 TYR A 79 10.040 3.765 6.442 1.00 22.45 H new ATOM 0 HE1 TYR A 79 12.878 6.464 3.468 1.00 61.23 H new ATOM 0 HE2 TYR A 79 11.349 2.672 4.677 1.00 70.44 H new ATOM 0 HH TYR A 79 12.766 2.924 3.001 1.00 40.00 H new ATOM 1251 N SER A 80 7.413 6.532 5.300 1.00 34.52 N ATOM 1252 CA SER A 80 6.672 6.166 4.098 1.00 5.11 C ATOM 1253 C SER A 80 7.577 5.450 3.100 1.00 43.54 C ATOM 1254 O SER A 80 7.705 4.227 3.128 1.00 64.10 O ATOM 1255 CB SER A 80 6.063 7.411 3.450 1.00 4.14 C ATOM 1256 OG SER A 80 4.996 7.921 4.230 1.00 13.11 O ATOM 0 H SER A 80 7.060 6.109 6.158 1.00 34.52 H new ATOM 0 HA SER A 80 5.870 5.487 4.387 1.00 5.11 H new ATOM 0 HB2 SER A 80 6.830 8.176 3.333 1.00 4.14 H new ATOM 0 HB3 SER A 80 5.703 7.166 2.451 1.00 4.14 H new ATOM 0 HG SER A 80 5.008 7.501 5.115 1.00 13.11 H new ATOM 1262 N MET A 81 8.203 6.223 2.218 1.00 54.52 N ATOM 1263 CA MET A 81 9.097 5.664 1.211 1.00 52.34 C ATOM 1264 C MET A 81 10.463 6.340 1.262 1.00 65.23 C ATOM 1265 O MET A 81 10.701 7.223 2.086 1.00 32.33 O ATOM 1266 CB MET A 81 8.489 5.821 -0.185 1.00 24.12 C ATOM 1267 CG MET A 81 7.855 4.547 -0.718 1.00 34.42 C ATOM 1268 SD MET A 81 6.523 3.941 0.336 1.00 72.21 S ATOM 1269 CE MET A 81 5.379 5.318 0.261 1.00 24.55 C ATOM 0 H MET A 81 8.107 7.238 2.181 1.00 54.52 H new ATOM 0 HA MET A 81 9.228 4.603 1.425 1.00 52.34 H new ATOM 0 HB2 MET A 81 7.736 6.608 -0.158 1.00 24.12 H new ATOM 0 HB3 MET A 81 9.266 6.147 -0.876 1.00 24.12 H new ATOM 0 HG2 MET A 81 7.466 4.731 -1.719 1.00 34.42 H new ATOM 0 HG3 MET A 81 8.620 3.776 -0.810 1.00 34.42 H new ATOM 0 HE1 MET A 81 4.477 5.073 0.822 1.00 24.55 H new ATOM 0 HE2 MET A 81 5.846 6.203 0.694 1.00 24.55 H new ATOM 0 HE3 MET A 81 5.117 5.517 -0.778 1.00 24.55 H new ATOM 1279 N LYS A 82 11.360 5.919 0.376 1.00 51.23 N ATOM 1280 CA LYS A 82 12.703 6.484 0.319 1.00 61.44 C ATOM 1281 C LYS A 82 12.742 7.704 -0.595 1.00 51.32 C ATOM 1282 O LYS A 82 12.472 7.603 -1.792 1.00 4.55 O ATOM 1283 CB LYS A 82 13.700 5.432 -0.175 1.00 13.23 C ATOM 1284 CG LYS A 82 15.134 5.930 -0.224 1.00 70.32 C ATOM 1285 CD LYS A 82 16.119 4.829 0.135 1.00 54.45 C ATOM 1286 CE LYS A 82 17.491 5.396 0.464 1.00 22.44 C ATOM 1287 NZ LYS A 82 18.083 4.749 1.668 1.00 65.32 N ATOM 0 H LYS A 82 11.181 5.188 -0.313 1.00 51.23 H new ATOM 0 HA LYS A 82 12.982 6.797 1.325 1.00 61.44 H new ATOM 0 HB2 LYS A 82 13.649 4.560 0.477 1.00 13.23 H new ATOM 0 HB3 LYS A 82 13.404 5.102 -1.171 1.00 13.23 H new ATOM 0 HG2 LYS A 82 15.356 6.306 -1.223 1.00 70.32 H new ATOM 0 HG3 LYS A 82 15.254 6.766 0.465 1.00 70.32 H new ATOM 0 HD2 LYS A 82 15.742 4.266 0.989 1.00 54.45 H new ATOM 0 HD3 LYS A 82 16.203 4.129 -0.696 1.00 54.45 H new ATOM 0 HE2 LYS A 82 18.156 5.256 -0.388 1.00 22.44 H new ATOM 0 HE3 LYS A 82 17.410 6.470 0.631 1.00 22.44 H new ATOM 0 HZ1 LYS A 82 19.018 5.162 1.860 1.00 65.32 H new ATOM 0 HZ2 LYS A 82 17.461 4.904 2.487 1.00 65.32 H new ATOM 0 HZ3 LYS A 82 18.184 3.728 1.499 1.00 65.32 H new ATOM 1301 N GLU A 83 13.080 8.856 -0.023 1.00 62.32 N ATOM 1302 CA GLU A 83 13.155 10.095 -0.788 1.00 33.00 C ATOM 1303 C GLU A 83 14.248 10.014 -1.850 1.00 14.11 C ATOM 1304 O GLU A 83 14.113 10.573 -2.938 1.00 51.44 O ATOM 1305 CB GLU A 83 13.420 11.280 0.143 1.00 32.22 C ATOM 1306 CG GLU A 83 12.447 12.432 -0.045 1.00 72.51 C ATOM 1307 CD GLU A 83 12.677 13.557 0.945 1.00 54.24 C ATOM 1308 OE1 GLU A 83 13.851 13.844 1.255 1.00 4.32 O ATOM 1309 OE2 GLU A 83 11.681 14.151 1.408 1.00 15.13 O ATOM 0 H GLU A 83 13.306 8.957 0.967 1.00 62.32 H new ATOM 0 HA GLU A 83 12.197 10.242 -1.288 1.00 33.00 H new ATOM 0 HB2 GLU A 83 13.369 10.938 1.177 1.00 32.22 H new ATOM 0 HB3 GLU A 83 14.435 11.642 -0.023 1.00 32.22 H new ATOM 0 HG2 GLU A 83 12.541 12.820 -1.059 1.00 72.51 H new ATOM 0 HG3 GLU A 83 11.427 12.062 0.061 1.00 72.51 H new ATOM 1316 N ASP A 84 15.329 9.315 -1.525 1.00 23.12 N ATOM 1317 CA ASP A 84 16.446 9.160 -2.450 1.00 30.22 C ATOM 1318 C ASP A 84 15.983 8.530 -3.760 1.00 10.02 C ATOM 1319 O ASP A 84 16.474 8.875 -4.835 1.00 70.13 O ATOM 1320 CB ASP A 84 17.544 8.303 -1.818 1.00 2.11 C ATOM 1321 CG ASP A 84 18.913 8.596 -2.400 1.00 23.54 C ATOM 1322 OD1 ASP A 84 19.190 9.775 -2.701 1.00 54.24 O ATOM 1323 OD2 ASP A 84 19.708 7.645 -2.554 1.00 23.42 O ATOM 0 H ASP A 84 15.456 8.846 -0.628 1.00 23.12 H new ATOM 0 HA ASP A 84 16.847 10.150 -2.666 1.00 30.22 H new ATOM 0 HB2 ASP A 84 17.564 8.479 -0.742 1.00 2.11 H new ATOM 0 HB3 ASP A 84 17.308 7.249 -1.964 1.00 2.11 H new ATOM 1328 N THR A 85 15.035 7.603 -3.663 1.00 12.14 N ATOM 1329 CA THR A 85 14.507 6.923 -4.839 1.00 10.43 C ATOM 1330 C THR A 85 13.067 7.341 -5.115 1.00 42.02 C ATOM 1331 O THR A 85 12.396 6.761 -5.969 1.00 12.31 O ATOM 1332 CB THR A 85 14.563 5.393 -4.675 1.00 62.25 C ATOM 1333 OG1 THR A 85 14.500 5.045 -3.288 1.00 13.42 O ATOM 1334 CG2 THR A 85 15.838 4.830 -5.287 1.00 35.25 C ATOM 0 H THR A 85 14.617 7.306 -2.781 1.00 12.14 H new ATOM 0 HA THR A 85 15.135 7.214 -5.681 1.00 10.43 H new ATOM 0 HB THR A 85 13.707 4.963 -5.195 1.00 62.25 H new ATOM 0 HG1 THR A 85 13.606 5.247 -2.940 1.00 13.42 H new ATOM 0 HG21 THR A 85 15.856 3.748 -5.159 1.00 35.25 H new ATOM 0 HG22 THR A 85 15.869 5.071 -6.350 1.00 35.25 H new ATOM 0 HG23 THR A 85 16.704 5.268 -4.791 1.00 35.25 H new ATOM 1342 N ARG A 86 12.599 8.350 -4.389 1.00 11.44 N ATOM 1343 CA ARG A 86 11.238 8.845 -4.556 1.00 13.22 C ATOM 1344 C ARG A 86 11.074 9.542 -5.904 1.00 22.34 C ATOM 1345 O ARG A 86 11.765 10.518 -6.198 1.00 1.12 O ATOM 1346 CB ARG A 86 10.881 9.811 -3.424 1.00 75.51 C ATOM 1347 CG ARG A 86 9.489 10.410 -3.551 1.00 24.31 C ATOM 1348 CD ARG A 86 8.954 10.866 -2.203 1.00 4.24 C ATOM 1349 NE ARG A 86 8.196 12.110 -2.307 1.00 45.12 N ATOM 1350 CZ ARG A 86 7.962 12.916 -1.278 1.00 15.30 C ATOM 1351 NH1 ARG A 86 8.424 12.611 -0.073 1.00 74.24 N ATOM 1352 NH2 ARG A 86 7.263 14.031 -1.453 1.00 4.13 N ATOM 0 H ARG A 86 13.142 8.841 -3.679 1.00 11.44 H new ATOM 0 HA ARG A 86 10.561 7.991 -4.523 1.00 13.22 H new ATOM 0 HB2 ARG A 86 10.956 9.285 -2.472 1.00 75.51 H new ATOM 0 HB3 ARG A 86 11.614 10.618 -3.401 1.00 75.51 H new ATOM 0 HG2 ARG A 86 9.517 11.256 -4.238 1.00 24.31 H new ATOM 0 HG3 ARG A 86 8.812 9.672 -3.982 1.00 24.31 H new ATOM 0 HD2 ARG A 86 8.317 10.087 -1.784 1.00 4.24 H new ATOM 0 HD3 ARG A 86 9.785 11.005 -1.511 1.00 4.24 H new ATOM 0 HE ARG A 86 7.826 12.374 -3.220 1.00 45.12 H new ATOM 0 HH11 ARG A 86 8.961 11.755 0.066 1.00 74.24 H new ATOM 0 HH12 ARG A 86 8.242 13.232 0.715 1.00 74.24 H new ATOM 0 HH21 ARG A 86 6.905 14.269 -2.378 1.00 4.13 H new ATOM 0 HH22 ARG A 86 7.083 14.650 -0.662 1.00 4.13 H new ATOM 1366 N LEU A 87 10.157 9.033 -6.719 1.00 13.42 N ATOM 1367 CA LEU A 87 9.902 9.606 -8.036 1.00 63.02 C ATOM 1368 C LEU A 87 8.686 10.525 -8.005 1.00 13.53 C ATOM 1369 O LEU A 87 8.783 11.710 -8.322 1.00 45.23 O ATOM 1370 CB LEU A 87 9.689 8.494 -9.065 1.00 32.13 C ATOM 1371 CG LEU A 87 10.598 8.532 -10.293 1.00 44.32 C ATOM 1372 CD1 LEU A 87 10.133 7.525 -11.333 1.00 42.25 C ATOM 1373 CD2 LEU A 87 10.637 9.934 -10.885 1.00 32.22 C ATOM 0 H LEU A 87 9.578 8.225 -6.491 1.00 13.42 H new ATOM 0 HA LEU A 87 10.772 10.196 -8.322 1.00 63.02 H new ATOM 0 HB2 LEU A 87 9.826 7.534 -8.566 1.00 32.13 H new ATOM 0 HB3 LEU A 87 8.654 8.533 -9.403 1.00 32.13 H new ATOM 0 HG LEU A 87 11.607 8.262 -9.982 1.00 44.32 H new ATOM 0 HD11 LEU A 87 10.792 7.567 -12.200 1.00 42.25 H new ATOM 0 HD12 LEU A 87 10.158 6.523 -10.906 1.00 42.25 H new ATOM 0 HD13 LEU A 87 9.115 7.763 -11.640 1.00 42.25 H new ATOM 0 HD21 LEU A 87 11.289 9.942 -11.758 1.00 32.22 H new ATOM 0 HD22 LEU A 87 9.631 10.232 -11.180 1.00 32.22 H new ATOM 0 HD23 LEU A 87 11.019 10.633 -10.141 1.00 32.22 H new ATOM 1385 N GLU A 88 7.541 9.971 -7.618 1.00 1.15 N ATOM 1386 CA GLU A 88 6.306 10.743 -7.543 1.00 61.21 C ATOM 1387 C GLU A 88 5.611 10.529 -6.201 1.00 41.24 C ATOM 1388 O GLU A 88 6.040 9.708 -5.392 1.00 11.44 O ATOM 1389 CB GLU A 88 5.365 10.353 -8.685 1.00 63.10 C ATOM 1390 CG GLU A 88 4.708 11.542 -9.365 1.00 41.02 C ATOM 1391 CD GLU A 88 5.675 12.327 -10.230 1.00 50.21 C ATOM 1392 OE1 GLU A 88 6.224 11.743 -11.188 1.00 12.43 O ATOM 1393 OE2 GLU A 88 5.882 13.526 -9.949 1.00 3.22 O ATOM 0 H GLU A 88 7.443 8.991 -7.352 1.00 1.15 H new ATOM 0 HA GLU A 88 6.561 11.799 -7.636 1.00 61.21 H new ATOM 0 HB2 GLU A 88 5.925 9.784 -9.427 1.00 63.10 H new ATOM 0 HB3 GLU A 88 4.589 9.693 -8.296 1.00 63.10 H new ATOM 0 HG2 GLU A 88 3.879 11.192 -9.980 1.00 41.02 H new ATOM 0 HG3 GLU A 88 4.286 12.202 -8.607 1.00 41.02 H new ATOM 1400 N GLY A 89 4.534 11.276 -5.974 1.00 25.43 N ATOM 1401 CA GLY A 89 3.797 11.154 -4.729 1.00 44.25 C ATOM 1402 C GLY A 89 4.243 12.165 -3.691 1.00 33.51 C ATOM 1403 O GLY A 89 4.999 13.092 -3.980 1.00 53.22 O ATOM 0 H GLY A 89 4.159 11.962 -6.629 1.00 25.43 H new ATOM 0 HA2 GLY A 89 2.733 11.285 -4.926 1.00 44.25 H new ATOM 0 HA3 GLY A 89 3.926 10.148 -4.331 1.00 44.25 H new ATOM 1407 N PRO A 90 3.767 11.991 -2.449 1.00 21.22 N ATOM 1408 CA PRO A 90 2.866 10.891 -2.093 1.00 31.22 C ATOM 1409 C PRO A 90 1.480 11.056 -2.706 1.00 35.21 C ATOM 1410 O PRO A 90 1.164 12.099 -3.277 1.00 53.34 O ATOM 1411 CB PRO A 90 2.789 10.975 -0.566 1.00 40.13 C ATOM 1412 CG PRO A 90 3.094 12.399 -0.250 1.00 31.43 C ATOM 1413 CD PRO A 90 4.072 12.855 -1.296 1.00 42.23 C ATOM 0 HA PRO A 90 3.228 9.932 -2.463 1.00 31.22 H new ATOM 0 HB2 PRO A 90 1.801 10.692 -0.203 1.00 40.13 H new ATOM 0 HB3 PRO A 90 3.506 10.302 -0.096 1.00 40.13 H new ATOM 0 HG2 PRO A 90 2.189 13.006 -0.271 1.00 31.43 H new ATOM 0 HG3 PRO A 90 3.519 12.495 0.749 1.00 31.43 H new ATOM 0 HD2 PRO A 90 3.939 13.909 -1.538 1.00 42.23 H new ATOM 0 HD3 PRO A 90 5.103 12.732 -0.963 1.00 42.23 H new ATOM 1421 N TRP A 91 0.657 10.021 -2.583 1.00 33.31 N ATOM 1422 CA TRP A 91 -0.697 10.052 -3.125 1.00 61.12 C ATOM 1423 C TRP A 91 -1.682 9.390 -2.168 1.00 72.03 C ATOM 1424 O TRP A 91 -1.469 8.261 -1.727 1.00 44.42 O ATOM 1425 CB TRP A 91 -0.740 9.353 -4.485 1.00 42.01 C ATOM 1426 CG TRP A 91 -0.154 10.174 -5.594 1.00 24.14 C ATOM 1427 CD1 TRP A 91 -0.253 11.527 -5.752 1.00 64.22 C ATOM 1428 CD2 TRP A 91 0.620 9.694 -6.698 1.00 44.03 C ATOM 1429 NE1 TRP A 91 0.413 11.917 -6.889 1.00 62.32 N ATOM 1430 CE2 TRP A 91 0.958 10.811 -7.487 1.00 2.31 C ATOM 1431 CE3 TRP A 91 1.063 8.430 -7.097 1.00 72.10 C ATOM 1432 CZ2 TRP A 91 1.716 10.700 -8.650 1.00 32.43 C ATOM 1433 CZ3 TRP A 91 1.814 8.321 -8.251 1.00 64.35 C ATOM 1434 CH2 TRP A 91 2.136 9.450 -9.016 1.00 75.15 C ATOM 0 H TRP A 91 0.903 9.150 -2.113 1.00 33.31 H new ATOM 0 HA TRP A 91 -0.987 11.095 -3.251 1.00 61.12 H new ATOM 0 HB2 TRP A 91 -0.200 8.409 -4.417 1.00 42.01 H new ATOM 0 HB3 TRP A 91 -1.775 9.112 -4.729 1.00 42.01 H new ATOM 0 HD1 TRP A 91 -0.777 12.192 -5.082 1.00 64.22 H new ATOM 0 HE1 TRP A 91 0.489 12.874 -7.232 1.00 62.32 H new ATOM 0 HE3 TRP A 91 0.822 7.554 -6.513 1.00 72.10 H new ATOM 0 HZ2 TRP A 91 1.963 11.569 -9.242 1.00 32.43 H new ATOM 0 HZ3 TRP A 91 2.159 7.348 -8.569 1.00 64.35 H new ATOM 0 HH2 TRP A 91 2.727 9.331 -9.912 1.00 75.15 H new ATOM 1445 N GLU A 92 -2.761 10.099 -1.852 1.00 10.40 N ATOM 1446 CA GLU A 92 -3.778 9.579 -0.946 1.00 73.22 C ATOM 1447 C GLU A 92 -5.127 9.462 -1.651 1.00 45.45 C ATOM 1448 O GLU A 92 -5.530 10.358 -2.394 1.00 33.21 O ATOM 1449 CB GLU A 92 -3.909 10.481 0.282 1.00 13.43 C ATOM 1450 CG GLU A 92 -2.793 10.295 1.296 1.00 2.50 C ATOM 1451 CD GLU A 92 -2.570 11.528 2.151 1.00 62.20 C ATOM 1452 OE1 GLU A 92 -3.325 11.716 3.128 1.00 24.42 O ATOM 1453 OE2 GLU A 92 -1.642 12.304 1.843 1.00 4.22 O ATOM 0 H GLU A 92 -2.953 11.035 -2.210 1.00 10.40 H new ATOM 0 HA GLU A 92 -3.467 8.585 -0.626 1.00 73.22 H new ATOM 0 HB2 GLU A 92 -3.924 11.522 -0.042 1.00 13.43 H new ATOM 0 HB3 GLU A 92 -4.865 10.284 0.767 1.00 13.43 H new ATOM 0 HG2 GLU A 92 -3.030 9.449 1.941 1.00 2.50 H new ATOM 0 HG3 GLU A 92 -1.869 10.048 0.773 1.00 2.50 H new ATOM 1460 N TYR A 93 -5.818 8.353 -1.414 1.00 45.03 N ATOM 1461 CA TYR A 93 -7.119 8.117 -2.028 1.00 43.15 C ATOM 1462 C TYR A 93 -8.067 7.432 -1.049 1.00 52.03 C ATOM 1463 O TYR A 93 -7.638 6.859 -0.049 1.00 4.00 O ATOM 1464 CB TYR A 93 -6.964 7.263 -3.288 1.00 52.21 C ATOM 1465 CG TYR A 93 -6.239 7.968 -4.412 1.00 60.02 C ATOM 1466 CD1 TYR A 93 -6.908 8.853 -5.249 1.00 64.12 C ATOM 1467 CD2 TYR A 93 -4.886 7.748 -4.638 1.00 1.31 C ATOM 1468 CE1 TYR A 93 -6.249 9.499 -6.278 1.00 74.30 C ATOM 1469 CE2 TYR A 93 -4.219 8.391 -5.663 1.00 73.32 C ATOM 1470 CZ TYR A 93 -4.905 9.265 -6.481 1.00 33.34 C ATOM 1471 OH TYR A 93 -4.245 9.905 -7.504 1.00 12.50 O ATOM 0 H TYR A 93 -5.499 7.603 -0.801 1.00 45.03 H new ATOM 0 HA TYR A 93 -7.544 9.083 -2.302 1.00 43.15 H new ATOM 0 HB2 TYR A 93 -6.424 6.351 -3.034 1.00 52.21 H new ATOM 0 HB3 TYR A 93 -7.952 6.962 -3.637 1.00 52.21 H new ATOM 0 HD1 TYR A 93 -7.960 9.039 -5.093 1.00 64.12 H new ATOM 0 HD2 TYR A 93 -4.346 7.063 -4.001 1.00 1.31 H new ATOM 0 HE1 TYR A 93 -6.784 10.184 -6.920 1.00 74.30 H new ATOM 0 HE2 TYR A 93 -3.166 8.210 -5.823 1.00 73.32 H new ATOM 0 HH TYR A 93 -3.304 9.630 -7.509 1.00 12.50 H new ATOM 1481 N GLY A 94 -9.362 7.496 -1.346 1.00 63.45 N ATOM 1482 CA GLY A 94 -10.352 6.878 -0.484 1.00 61.43 C ATOM 1483 C GLY A 94 -10.977 7.865 0.481 1.00 30.33 C ATOM 1484 O GLY A 94 -11.080 9.054 0.182 1.00 20.14 O ATOM 0 H GLY A 94 -9.742 7.965 -2.168 1.00 63.45 H new ATOM 0 HA2 GLY A 94 -11.134 6.429 -1.097 1.00 61.43 H new ATOM 0 HA3 GLY A 94 -9.885 6.070 0.079 1.00 61.43 H new ATOM 1488 N GLU A 95 -11.397 7.370 1.642 1.00 43.32 N ATOM 1489 CA GLU A 95 -12.017 8.218 2.653 1.00 55.22 C ATOM 1490 C GLU A 95 -11.135 9.422 2.969 1.00 12.34 C ATOM 1491 O GLU A 95 -11.362 10.520 2.463 1.00 51.52 O ATOM 1492 CB GLU A 95 -12.283 7.417 3.929 1.00 10.01 C ATOM 1493 CG GLU A 95 -12.721 8.273 5.105 1.00 13.42 C ATOM 1494 CD GLU A 95 -11.623 8.458 6.134 1.00 21.53 C ATOM 1495 OE1 GLU A 95 -11.020 7.444 6.545 1.00 20.12 O ATOM 1496 OE2 GLU A 95 -11.366 9.614 6.529 1.00 55.13 O ATOM 0 H GLU A 95 -11.319 6.388 1.905 1.00 43.32 H new ATOM 0 HA GLU A 95 -12.965 8.579 2.255 1.00 55.22 H new ATOM 0 HB2 GLU A 95 -13.052 6.672 3.726 1.00 10.01 H new ATOM 0 HB3 GLU A 95 -11.378 6.874 4.203 1.00 10.01 H new ATOM 0 HG2 GLU A 95 -13.040 9.249 4.740 1.00 13.42 H new ATOM 0 HG3 GLU A 95 -13.587 7.813 5.582 1.00 13.42 H new TER 1503 GLU A 95