USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 795 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 47 GLN :FLIP amide:sc= -0.0747 F(o=-1.9!,f=-0.46) USER MOD Set 1.2: A 58 MET CE :methyl 162:sc= -0.24 (180deg=-0.824) USER MOD Set 1.3: A 98 THR OG1 : rot -144:sc= -0.0457 USER MOD Set 1.4: A 127 SER OG : rot -90:sc= -0.104 USER MOD Set 2.1: A 120 SER OG : rot 25:sc= 0.0221 USER MOD Set 2.2: A 122 ASN :FLIP amide:sc= -0.572 F(o=-2.1!,f=-0.55) USER MOD Set 3.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 115 SER OG : rot -61:sc= 1.18 USER MOD Set 4.1: A 29 TYR OH : rot -175:sc= 0.0172 USER MOD Set 4.2: A 76 GLN : amide:sc= 0.866 K(o=0.88,f=-1) USER MOD Set 5.1: A 68 SER OG : rot 180:sc= -0.0461 USER MOD Set 5.2: A 126 HIS : no HE2:sc= 1.07 K(o=1,f=-2.5!) USER MOD Set 6.1: A 62 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.15) USER MOD Set 6.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 41 ASN : amide:sc= 0 X(o=-1.6,f=-1.9) USER MOD Set 7.2: A 45 GLN : amide:sc= -1.63! X(o=-1.6!,f=-2) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.07 F(o=-5.7!,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -87:sc= 1.07 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.112) USER MOD Single : A 57 HIS :FLIP no HD1:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 61 SER OG : rot -120:sc= -1.86! USER MOD Single : A 63 SER OG : rot 84:sc= 1.02 USER MOD Single : A 67 SER OG : rot 180:sc= 0.533 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0.835 (180deg=0.826) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 91:sc= 0.00225 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.72) USER MOD Single : A 85 ASN : amide:sc= -0.663 X(o=-0.66,f=-0.21) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00206 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc=-0.00753 (180deg=-0.131) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00728 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -92:sc= 1.25 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.178 F(o=-1.8!,f=-0.18) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc=-0.00354 USER MOD Single : A 119 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0086) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.139 -1.364 11.657 1.00 0.00 N ATOM 24 CA LEU A 26 -6.884 -0.942 11.061 1.00 0.00 C ATOM 25 C LEU A 26 -7.150 0.007 9.902 1.00 0.00 C ATOM 26 O LEU A 26 -7.780 -0.366 8.913 1.00 0.00 O ATOM 27 CB LEU A 26 -6.078 -2.154 10.582 1.00 0.00 C ATOM 28 CG LEU A 26 -5.770 -3.206 11.653 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.991 -4.363 11.050 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.994 -2.593 12.810 1.00 0.00 C ATOM 0 HA LEU A 26 -6.299 -0.420 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.625 -2.635 9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.136 -1.800 10.164 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.717 -3.584 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.780 -5.102 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.580 -4.825 10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.053 -3.993 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.788 -3.360 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.054 -2.184 12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.584 -1.796 13.262 1.00 0.00 H new ATOM 42 N SER A 27 -6.690 1.237 10.045 1.00 0.00 N ATOM 43 CA SER A 27 -6.844 2.245 9.010 1.00 0.00 C ATOM 44 C SER A 27 -5.592 3.104 8.961 1.00 0.00 C ATOM 45 O SER A 27 -4.925 3.287 9.981 1.00 0.00 O ATOM 46 CB SER A 27 -8.074 3.108 9.295 1.00 0.00 C ATOM 47 OG SER A 27 -8.295 4.058 8.266 1.00 0.00 O ATOM 0 H SER A 27 -6.201 1.565 10.878 1.00 0.00 H new ATOM 0 HA SER A 27 -6.984 1.759 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.952 2.470 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.944 3.624 10.246 1.00 0.00 H new ATOM 0 HG SER A 27 -9.089 4.592 8.478 1.00 0.00 H new ATOM 53 N TRP A 28 -5.275 3.635 7.788 1.00 0.00 N ATOM 54 CA TRP A 28 -4.041 4.393 7.609 1.00 0.00 C ATOM 55 C TRP A 28 -4.180 5.846 8.080 1.00 0.00 C ATOM 56 O TRP A 28 -3.443 6.728 7.637 1.00 0.00 O ATOM 57 CB TRP A 28 -3.555 4.328 6.151 1.00 0.00 C ATOM 58 CG TRP A 28 -4.575 4.700 5.108 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.697 5.463 5.269 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.541 4.331 3.725 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.367 5.575 4.074 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.677 4.891 3.113 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.660 3.577 2.945 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.954 4.719 1.760 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.937 3.408 1.601 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.075 3.976 1.021 1.00 0.00 C ATOM 0 H TRP A 28 -5.851 3.557 6.950 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.286 3.924 8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.695 4.989 6.044 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.207 3.315 5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.012 5.912 6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.238 6.086 3.928 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.778 3.134 3.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.832 5.157 1.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.263 2.827 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.264 3.825 -0.032 1.00 0.00 H new ATOM 77 N TYR A 29 -5.132 6.086 8.972 1.00 0.00 N ATOM 78 CA TYR A 29 -5.280 7.389 9.609 1.00 0.00 C ATOM 79 C TYR A 29 -4.925 7.303 11.087 1.00 0.00 C ATOM 80 O TYR A 29 -4.780 8.321 11.764 1.00 0.00 O ATOM 81 CB TYR A 29 -6.704 7.922 9.451 1.00 0.00 C ATOM 82 CG TYR A 29 -6.947 8.617 8.133 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.695 9.977 7.995 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.422 7.924 7.030 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.919 10.626 6.798 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.645 8.566 5.828 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.390 9.915 5.716 1.00 0.00 C ATOM 88 OH TYR A 29 -7.618 10.557 4.520 1.00 0.00 O ATOM 0 H TYR A 29 -5.817 5.392 9.272 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.596 8.079 9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.406 7.094 9.550 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.915 8.618 10.263 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.317 10.535 8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.621 6.866 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.726 11.685 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.018 8.013 4.979 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.022 9.930 3.884 1.00 0.00 H new ATOM 98 N ASP A 30 -4.780 6.083 11.579 1.00 0.00 N ATOM 99 CA ASP A 30 -4.469 5.860 12.982 1.00 0.00 C ATOM 100 C ASP A 30 -2.960 5.818 13.185 1.00 0.00 C ATOM 101 O ASP A 30 -2.253 5.107 12.475 1.00 0.00 O ATOM 102 CB ASP A 30 -5.091 4.551 13.473 1.00 0.00 C ATOM 103 CG ASP A 30 -6.607 4.565 13.450 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.200 4.236 12.401 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.218 4.886 14.494 1.00 0.00 O ATOM 0 H ASP A 30 -4.873 5.231 11.027 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.888 6.685 13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.732 3.730 12.852 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.751 4.354 14.490 1.00 0.00 H new ATOM 110 N PRO A 31 -2.453 6.577 14.167 1.00 0.00 N ATOM 111 CA PRO A 31 -1.018 6.641 14.466 1.00 0.00 C ATOM 112 C PRO A 31 -0.490 5.342 15.067 1.00 0.00 C ATOM 113 O PRO A 31 0.715 5.178 15.266 1.00 0.00 O ATOM 114 CB PRO A 31 -0.911 7.789 15.472 1.00 0.00 C ATOM 115 CG PRO A 31 -2.252 7.866 16.109 1.00 0.00 C ATOM 116 CD PRO A 31 -3.243 7.441 15.059 1.00 0.00 C ATOM 0 HA PRO A 31 -0.422 6.795 13.567 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.133 7.596 16.211 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.654 8.726 14.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.306 7.215 16.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.461 8.879 16.454 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.084 6.903 15.496 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.655 8.298 14.526 1.00 0.00 H new ATOM 124 N ASP A 32 -1.406 4.433 15.377 1.00 0.00 N ATOM 125 CA ASP A 32 -1.039 3.099 15.840 1.00 0.00 C ATOM 126 C ASP A 32 -0.630 2.233 14.653 1.00 0.00 C ATOM 127 O ASP A 32 0.163 1.298 14.790 1.00 0.00 O ATOM 128 CB ASP A 32 -2.208 2.446 16.591 1.00 0.00 C ATOM 129 CG ASP A 32 -1.865 1.070 17.135 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.287 0.989 18.241 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.189 0.061 16.474 1.00 0.00 O ATOM 0 H ASP A 32 -2.411 4.595 15.316 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.197 3.188 16.526 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.510 3.092 17.415 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.063 2.363 15.920 1.00 0.00 H new ATOM 136 N PHE A 33 -1.154 2.577 13.480 1.00 0.00 N ATOM 137 CA PHE A 33 -0.896 1.821 12.265 1.00 0.00 C ATOM 138 C PHE A 33 0.516 2.113 11.762 1.00 0.00 C ATOM 139 O PHE A 33 0.964 3.259 11.776 1.00 0.00 O ATOM 140 CB PHE A 33 -1.932 2.193 11.196 1.00 0.00 C ATOM 141 CG PHE A 33 -1.933 1.295 9.989 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.509 0.037 10.048 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.375 1.715 8.793 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.527 -0.786 8.940 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.393 0.898 7.680 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.968 -0.354 7.754 1.00 0.00 C ATOM 0 H PHE A 33 -1.765 3.383 13.348 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.977 0.755 12.478 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.924 2.175 11.648 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.748 3.217 10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.950 -0.305 10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.921 2.693 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.977 -1.766 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.957 1.239 6.752 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.981 -0.995 6.885 1.00 0.00 H new ATOM 156 N GLN A 34 1.220 1.078 11.331 1.00 0.00 N ATOM 157 CA GLN A 34 2.590 1.240 10.868 1.00 0.00 C ATOM 158 C GLN A 34 2.716 0.804 9.413 1.00 0.00 C ATOM 159 O GLN A 34 2.208 -0.250 9.025 1.00 0.00 O ATOM 160 CB GLN A 34 3.551 0.436 11.751 1.00 0.00 C ATOM 161 CG GLN A 34 3.482 0.790 13.235 1.00 0.00 C ATOM 162 CD GLN A 34 4.060 2.159 13.584 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.963 3.121 12.679 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.578 2.351 14.682 1.00 0.00 N flip ATOM 0 H GLN A 34 0.868 0.121 11.292 1.00 0.00 H new ATOM 0 HA GLN A 34 2.855 2.295 10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.334 -0.626 11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.570 0.595 11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.441 0.756 13.556 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.016 0.028 13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.638 1.589 15.358 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.948 3.272 14.917 1.00 0.00 H new ATOM 173 N ALA A 35 3.389 1.621 8.615 1.00 0.00 N ATOM 174 CA ALA A 35 3.586 1.332 7.202 1.00 0.00 C ATOM 175 C ALA A 35 4.926 1.886 6.732 1.00 0.00 C ATOM 176 O ALA A 35 5.442 2.848 7.302 1.00 0.00 O ATOM 177 CB ALA A 35 2.447 1.913 6.377 1.00 0.00 C ATOM 0 H ALA A 35 3.811 2.496 8.926 1.00 0.00 H new ATOM 0 HA ALA A 35 3.591 0.251 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.610 1.688 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.503 1.474 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.411 2.994 6.516 1.00 0.00 H new ATOM 183 N ARG A 36 5.487 1.277 5.699 1.00 0.00 N ATOM 184 CA ARG A 36 6.797 1.667 5.200 1.00 0.00 C ATOM 185 C ARG A 36 6.874 1.470 3.692 1.00 0.00 C ATOM 186 O ARG A 36 6.284 0.537 3.147 1.00 0.00 O ATOM 187 CB ARG A 36 7.892 0.856 5.913 1.00 0.00 C ATOM 188 CG ARG A 36 7.717 -0.654 5.790 1.00 0.00 C ATOM 189 CD ARG A 36 8.644 -1.262 4.751 1.00 0.00 C ATOM 190 NE ARG A 36 10.014 -1.406 5.246 1.00 0.00 N ATOM 191 CZ ARG A 36 10.713 -2.535 5.149 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.164 -3.610 4.610 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.952 -2.607 5.605 1.00 0.00 N ATOM 0 H ARG A 36 5.054 0.508 5.188 1.00 0.00 H new ATOM 0 HA ARG A 36 6.955 2.725 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.863 1.135 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.902 1.127 6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.906 -1.119 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.683 -0.877 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.263 -2.239 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.646 -0.636 3.859 1.00 0.00 H new ATOM 0 HE ARG A 36 10.456 -0.600 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.204 -3.575 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.701 -4.474 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.384 -1.791 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.475 -3.479 5.524 1.00 0.00 H new ATOM 206 N LEU A 37 7.576 2.371 3.025 1.00 0.00 N ATOM 207 CA LEU A 37 7.805 2.258 1.594 1.00 0.00 C ATOM 208 C LEU A 37 9.165 1.627 1.348 1.00 0.00 C ATOM 209 O LEU A 37 10.126 1.912 2.069 1.00 0.00 O ATOM 210 CB LEU A 37 7.745 3.638 0.930 1.00 0.00 C ATOM 211 CG LEU A 37 6.416 4.380 1.084 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.483 5.740 0.406 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.279 3.557 0.504 1.00 0.00 C ATOM 0 H LEU A 37 7.999 3.193 3.455 1.00 0.00 H new ATOM 0 HA LEU A 37 7.026 1.631 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.539 4.258 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.956 3.521 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 37 6.228 4.532 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.529 6.254 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.275 6.335 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.693 5.607 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.341 4.099 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.464 3.377 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.215 2.604 1.029 1.00 0.00 H new ATOM 225 N THR A 38 9.239 0.757 0.356 1.00 0.00 N ATOM 226 CA THR A 38 10.499 0.129 -0.006 1.00 0.00 C ATOM 227 C THR A 38 11.424 1.146 -0.667 1.00 0.00 C ATOM 228 O THR A 38 10.968 2.209 -1.096 1.00 0.00 O ATOM 229 CB THR A 38 10.289 -1.067 -0.961 1.00 0.00 C ATOM 230 OG1 THR A 38 9.674 -0.631 -2.178 1.00 0.00 O ATOM 231 CG2 THR A 38 9.420 -2.136 -0.314 1.00 0.00 C ATOM 0 H THR A 38 8.443 0.469 -0.213 1.00 0.00 H new ATOM 0 HA THR A 38 10.953 -0.243 0.913 1.00 0.00 H new ATOM 0 HB THR A 38 11.268 -1.493 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.548 -1.398 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.288 -2.966 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.902 -2.496 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.447 -1.713 -0.066 1.00 0.00 H new ATOM 239 N ARG A 39 12.714 0.834 -0.732 1.00 0.00 N ATOM 240 CA ARG A 39 13.686 1.729 -1.354 1.00 0.00 C ATOM 241 C ARG A 39 13.267 2.059 -2.782 1.00 0.00 C ATOM 242 O ARG A 39 12.823 3.173 -3.055 1.00 0.00 O ATOM 243 CB ARG A 39 15.098 1.124 -1.355 1.00 0.00 C ATOM 244 CG ARG A 39 15.751 1.028 0.020 1.00 0.00 C ATOM 245 CD ARG A 39 15.072 0.001 0.911 1.00 0.00 C ATOM 246 NE ARG A 39 15.069 -1.334 0.312 1.00 0.00 N ATOM 247 CZ ARG A 39 14.037 -2.165 0.377 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.915 -1.764 0.953 1.00 0.00 N ATOM 249 NH2 ARG A 39 14.111 -3.379 -0.144 1.00 0.00 N ATOM 0 H ARG A 39 13.111 -0.030 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 39 13.711 2.644 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.051 0.126 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.735 1.725 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.802 0.765 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.718 2.004 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.582 -0.036 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.046 0.313 1.105 1.00 0.00 H new ATOM 0 HE ARG A 39 15.906 -1.642 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.849 -0.823 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.116 -2.396 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.969 -3.686 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.310 -4.008 -0.087 1.00 0.00 H new ATOM 262 N SER A 40 13.408 1.082 -3.677 1.00 0.00 N ATOM 263 CA SER A 40 13.007 1.233 -5.077 1.00 0.00 C ATOM 264 C SER A 40 13.769 2.382 -5.750 1.00 0.00 C ATOM 265 O SER A 40 14.846 2.177 -6.313 1.00 0.00 O ATOM 266 CB SER A 40 11.490 1.449 -5.172 1.00 0.00 C ATOM 267 OG SER A 40 11.033 1.382 -6.511 1.00 0.00 O ATOM 0 H SER A 40 13.801 0.168 -3.455 1.00 0.00 H new ATOM 0 HA SER A 40 13.261 0.316 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.977 0.695 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.234 2.420 -4.748 1.00 0.00 H new ATOM 0 HG SER A 40 10.063 1.522 -6.533 1.00 0.00 H new ATOM 273 N ASN A 41 13.216 3.587 -5.668 1.00 0.00 N ATOM 274 CA ASN A 41 13.846 4.773 -6.237 1.00 0.00 C ATOM 275 C ASN A 41 14.325 5.685 -5.120 1.00 0.00 C ATOM 276 O ASN A 41 15.445 6.198 -5.152 1.00 0.00 O ATOM 277 CB ASN A 41 12.857 5.527 -7.127 1.00 0.00 C ATOM 278 CG ASN A 41 13.449 6.794 -7.717 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.424 7.857 -7.094 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.977 6.696 -8.924 1.00 0.00 N ATOM 0 H ASN A 41 12.324 3.769 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 41 14.697 4.461 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.530 4.873 -7.935 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.971 5.781 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.383 7.518 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.979 5.798 -9.408 1.00 0.00 H new ATOM 287 N SER A 42 13.458 5.869 -4.133 1.00 0.00 N ATOM 288 CA SER A 42 13.746 6.701 -2.983 1.00 0.00 C ATOM 289 C SER A 42 12.632 6.515 -1.956 1.00 0.00 C ATOM 290 O SER A 42 11.552 6.022 -2.285 1.00 0.00 O ATOM 291 CB SER A 42 13.862 8.168 -3.407 1.00 0.00 C ATOM 292 OG SER A 42 14.419 8.957 -2.374 1.00 0.00 O ATOM 0 H SER A 42 12.532 5.441 -4.112 1.00 0.00 H new ATOM 0 HA SER A 42 14.698 6.409 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.482 8.243 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.876 8.552 -3.670 1.00 0.00 H new ATOM 0 HG SER A 42 13.707 9.258 -1.772 1.00 0.00 H new ATOM 298 N LYS A 43 12.905 6.923 -0.722 1.00 0.00 N ATOM 299 CA LYS A 43 12.075 6.562 0.433 1.00 0.00 C ATOM 300 C LYS A 43 10.649 7.098 0.355 1.00 0.00 C ATOM 301 O LYS A 43 9.769 6.606 1.058 1.00 0.00 O ATOM 302 CB LYS A 43 12.730 7.043 1.732 1.00 0.00 C ATOM 303 CG LYS A 43 13.948 6.233 2.146 1.00 0.00 C ATOM 304 CD LYS A 43 13.581 4.777 2.387 1.00 0.00 C ATOM 305 CE LYS A 43 14.754 3.987 2.942 1.00 0.00 C ATOM 306 NZ LYS A 43 14.400 2.566 3.195 1.00 0.00 N ATOM 0 H LYS A 43 13.705 7.512 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 43 12.005 5.474 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.023 8.086 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.993 7.007 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.711 6.295 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.380 6.657 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.744 4.723 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.248 4.326 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.587 4.033 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.094 4.447 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.229 2.064 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.623 2.519 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.101 2.119 2.305 1.00 0.00 H new ATOM 319 N CYS A 44 10.413 8.095 -0.481 1.00 0.00 N ATOM 320 CA CYS A 44 9.082 8.674 -0.587 1.00 0.00 C ATOM 321 C CYS A 44 8.296 8.094 -1.758 1.00 0.00 C ATOM 322 O CYS A 44 7.174 8.521 -2.024 1.00 0.00 O ATOM 323 CB CYS A 44 9.165 10.191 -0.709 1.00 0.00 C ATOM 324 SG CYS A 44 9.762 11.017 0.799 1.00 0.00 S ATOM 0 H CYS A 44 11.115 8.517 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 44 8.547 8.418 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.827 10.444 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.178 10.581 -0.959 1.00 0.00 H new ATOM 329 N GLN A 45 8.867 7.122 -2.455 1.00 0.00 N ATOM 330 CA GLN A 45 8.155 6.476 -3.547 1.00 0.00 C ATOM 331 C GLN A 45 8.640 5.043 -3.751 1.00 0.00 C ATOM 332 O GLN A 45 9.697 4.794 -4.337 1.00 0.00 O ATOM 333 CB GLN A 45 8.265 7.298 -4.840 1.00 0.00 C ATOM 334 CG GLN A 45 9.684 7.562 -5.312 1.00 0.00 C ATOM 335 CD GLN A 45 9.730 8.463 -6.532 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.597 8.322 -7.389 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.811 9.411 -6.610 1.00 0.00 N ATOM 0 H GLN A 45 9.808 6.767 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 45 7.100 6.427 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.726 6.777 -5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.764 8.254 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.253 8.020 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.169 6.614 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.105 9.499 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.808 10.055 -7.401 1.00 0.00 H new ATOM 346 N GLY A 46 7.848 4.105 -3.264 1.00 0.00 N ATOM 347 CA GLY A 46 8.212 2.706 -3.344 1.00 0.00 C ATOM 348 C GLY A 46 7.026 1.798 -3.110 1.00 0.00 C ATOM 349 O GLY A 46 5.879 2.249 -3.149 1.00 0.00 O ATOM 0 H GLY A 46 6.952 4.287 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.640 2.498 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.985 2.490 -2.607 1.00 0.00 H new ATOM 353 N GLN A 47 7.294 0.523 -2.863 1.00 0.00 N ATOM 354 CA GLN A 47 6.240 -0.450 -2.619 1.00 0.00 C ATOM 355 C GLN A 47 5.700 -0.281 -1.206 1.00 0.00 C ATOM 356 O GLN A 47 6.469 -0.153 -0.252 1.00 0.00 O ATOM 357 CB GLN A 47 6.763 -1.877 -2.814 1.00 0.00 C ATOM 358 CG GLN A 47 7.260 -2.167 -4.225 1.00 0.00 C ATOM 359 CD GLN A 47 7.894 -3.541 -4.356 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.524 -4.012 -3.287 1.00 0.00 O flip ATOM 361 NE2 GLN A 47 7.830 -4.173 -5.413 1.00 0.00 N flip ATOM 0 H GLN A 47 8.238 0.138 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 47 5.436 -0.279 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.576 -2.055 -2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.968 -2.581 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.426 -2.089 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.987 -1.408 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.337 -3.779 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.270 -5.090 -5.486 1.00 0.00 H new ATOM 370 N LEU A 48 4.382 -0.268 -1.078 1.00 0.00 N ATOM 371 CA LEU A 48 3.748 -0.065 0.215 1.00 0.00 C ATOM 372 C LEU A 48 3.696 -1.367 1.004 1.00 0.00 C ATOM 373 O LEU A 48 2.996 -2.311 0.629 1.00 0.00 O ATOM 374 CB LEU A 48 2.332 0.502 0.043 1.00 0.00 C ATOM 375 CG LEU A 48 1.606 0.856 1.347 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.334 1.965 2.093 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.169 1.262 1.057 1.00 0.00 C ATOM 0 H LEU A 48 3.731 -0.396 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 48 4.348 0.655 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.389 1.397 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.731 -0.225 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 48 1.598 -0.029 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.798 2.197 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.346 1.638 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.380 2.856 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.334 1.511 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.162 2.131 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.352 0.436 0.573 1.00 0.00 H new ATOM 389 N GLU A 49 4.460 -1.416 2.081 1.00 0.00 N ATOM 390 CA GLU A 49 4.392 -2.527 3.014 1.00 0.00 C ATOM 391 C GLU A 49 3.772 -2.050 4.317 1.00 0.00 C ATOM 392 O GLU A 49 4.167 -1.019 4.865 1.00 0.00 O ATOM 393 CB GLU A 49 5.777 -3.131 3.270 1.00 0.00 C ATOM 394 CG GLU A 49 6.362 -3.844 2.064 1.00 0.00 C ATOM 395 CD GLU A 49 7.724 -4.444 2.344 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.710 -3.685 2.411 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.818 -5.681 2.493 1.00 0.00 O ATOM 0 H GLU A 49 5.138 -0.696 2.332 1.00 0.00 H new ATOM 0 HA GLU A 49 3.772 -3.310 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.458 -2.338 3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.710 -3.834 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.680 -4.633 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.443 -3.141 1.235 1.00 0.00 H new ATOM 404 N VAL A 50 2.792 -2.791 4.797 1.00 0.00 N ATOM 405 CA VAL A 50 2.074 -2.415 6.001 1.00 0.00 C ATOM 406 C VAL A 50 2.259 -3.462 7.084 1.00 0.00 C ATOM 407 O VAL A 50 2.505 -4.636 6.795 1.00 0.00 O ATOM 408 CB VAL A 50 0.566 -2.210 5.732 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.346 -1.083 4.734 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.083 -3.496 5.237 1.00 0.00 C ATOM 0 H VAL A 50 2.473 -3.661 4.370 1.00 0.00 H new ATOM 0 HA VAL A 50 2.491 -1.466 6.338 1.00 0.00 H new ATOM 0 HB VAL A 50 0.093 -1.934 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.722 -0.955 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.761 -0.158 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.841 -1.327 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.144 -3.322 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.396 -3.812 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.033 -4.276 5.990 1.00 0.00 H new ATOM 420 N TYR A 51 2.159 -3.033 8.327 1.00 0.00 N ATOM 421 CA TYR A 51 2.353 -3.928 9.451 1.00 0.00 C ATOM 422 C TYR A 51 1.026 -4.494 9.931 1.00 0.00 C ATOM 423 O TYR A 51 0.136 -3.756 10.354 1.00 0.00 O ATOM 424 CB TYR A 51 3.063 -3.204 10.600 1.00 0.00 C ATOM 425 CG TYR A 51 3.302 -4.075 11.816 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.346 -4.994 11.847 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.483 -3.979 12.933 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.560 -5.791 12.955 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.693 -4.770 14.041 1.00 0.00 C ATOM 430 CZ TYR A 51 3.732 -5.673 14.050 1.00 0.00 C ATOM 431 OH TYR A 51 3.936 -6.466 15.158 1.00 0.00 O ATOM 0 H TYR A 51 1.944 -2.070 8.584 1.00 0.00 H new ATOM 0 HA TYR A 51 2.979 -4.755 9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.020 -2.825 10.242 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.468 -2.339 10.895 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.999 -5.086 10.992 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.667 -3.272 12.933 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.372 -6.503 12.963 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.044 -4.682 14.900 1.00 0.00 H new ATOM 0 HH TYR A 51 3.265 -6.254 15.840 1.00 0.00 H new ATOM 441 N LEU A 52 0.902 -5.808 9.849 1.00 0.00 N ATOM 442 CA LEU A 52 -0.234 -6.508 10.419 1.00 0.00 C ATOM 443 C LEU A 52 0.206 -7.159 11.723 1.00 0.00 C ATOM 444 O LEU A 52 1.385 -7.087 12.075 1.00 0.00 O ATOM 445 CB LEU A 52 -0.801 -7.555 9.447 1.00 0.00 C ATOM 446 CG LEU A 52 -1.902 -7.056 8.498 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.392 -5.957 7.577 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.458 -8.216 7.684 1.00 0.00 C ATOM 0 H LEU A 52 1.581 -6.415 9.389 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.035 -5.794 10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.019 -7.949 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.198 -8.387 10.029 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.701 -6.632 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.198 -5.629 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.045 -5.114 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.567 -6.340 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.237 -7.851 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.657 -8.665 7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.878 -8.964 8.356 1.00 0.00 H new ATOM 460 N LYS A 53 -0.710 -7.795 12.434 1.00 0.00 N ATOM 461 CA LYS A 53 -0.401 -8.324 13.757 1.00 0.00 C ATOM 462 C LYS A 53 0.747 -9.336 13.685 1.00 0.00 C ATOM 463 O LYS A 53 1.616 -9.370 14.559 1.00 0.00 O ATOM 464 CB LYS A 53 -1.652 -8.961 14.383 1.00 0.00 C ATOM 465 CG LYS A 53 -1.638 -8.997 15.909 1.00 0.00 C ATOM 466 CD LYS A 53 -0.698 -10.060 16.455 1.00 0.00 C ATOM 467 CE LYS A 53 -0.515 -9.933 17.960 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.810 -9.962 18.688 1.00 0.00 N ATOM 0 H LYS A 53 -1.668 -7.958 12.123 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.080 -7.498 14.392 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.532 -8.409 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.754 -9.979 14.007 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.339 -8.021 16.290 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.647 -9.186 16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.091 -11.049 16.219 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.271 -9.976 15.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.119 -10.745 18.317 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.005 -9.001 18.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.632 -9.992 19.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.357 -9.109 18.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.348 -10.806 18.405 1.00 0.00 H new ATOM 481 N ASP A 54 0.772 -10.128 12.621 1.00 0.00 N ATOM 482 CA ASP A 54 1.765 -11.185 12.487 1.00 0.00 C ATOM 483 C ASP A 54 2.933 -10.775 11.587 1.00 0.00 C ATOM 484 O ASP A 54 3.666 -11.632 11.091 1.00 0.00 O ATOM 485 CB ASP A 54 1.114 -12.473 11.965 1.00 0.00 C ATOM 486 CG ASP A 54 0.527 -12.328 10.574 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.349 -11.458 10.381 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.914 -13.109 9.681 1.00 0.00 O ATOM 0 H ASP A 54 0.118 -10.059 11.841 1.00 0.00 H new ATOM 0 HA ASP A 54 2.173 -11.369 13.481 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.858 -13.270 11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.327 -12.779 12.654 1.00 0.00 H new ATOM 493 N GLY A 55 3.122 -9.474 11.378 1.00 0.00 N ATOM 494 CA GLY A 55 4.310 -9.018 10.676 1.00 0.00 C ATOM 495 C GLY A 55 4.017 -8.072 9.528 1.00 0.00 C ATOM 496 O GLY A 55 2.877 -7.656 9.326 1.00 0.00 O ATOM 0 H GLY A 55 2.484 -8.737 11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.971 -8.520 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.849 -9.884 10.292 1.00 0.00 H new ATOM 500 N TRP A 56 5.061 -7.736 8.776 1.00 0.00 N ATOM 501 CA TRP A 56 4.948 -6.816 7.648 1.00 0.00 C ATOM 502 C TRP A 56 4.478 -7.545 6.396 1.00 0.00 C ATOM 503 O TRP A 56 4.877 -8.679 6.135 1.00 0.00 O ATOM 504 CB TRP A 56 6.293 -6.129 7.387 1.00 0.00 C ATOM 505 CG TRP A 56 6.697 -5.179 8.479 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.458 -5.457 9.580 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.351 -3.793 8.572 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.605 -4.327 10.349 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.934 -3.292 9.752 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.604 -2.926 7.772 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.792 -1.962 10.145 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.463 -1.610 8.163 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.054 -1.138 9.340 1.00 0.00 C ATOM 0 H TRP A 56 6.005 -8.091 8.930 1.00 0.00 H new ATOM 0 HA TRP A 56 4.206 -6.058 7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.065 -6.890 7.272 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.238 -5.585 6.444 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.882 -6.423 9.812 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.129 -4.268 11.222 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.144 -3.280 6.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.248 -1.595 11.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.887 -0.933 7.550 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.925 -0.103 9.619 1.00 0.00 H new ATOM 524 N HIS A 57 3.611 -6.898 5.630 1.00 0.00 N ATOM 525 CA HIS A 57 3.067 -7.494 4.417 1.00 0.00 C ATOM 526 C HIS A 57 3.002 -6.464 3.299 1.00 0.00 C ATOM 527 O HIS A 57 2.737 -5.287 3.544 1.00 0.00 O ATOM 528 CB HIS A 57 1.667 -8.063 4.671 1.00 0.00 C ATOM 529 CG HIS A 57 1.634 -9.237 5.603 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.508 -9.294 6.951 1.00 0.00 N flip ATOM 531 CD2 HIS A 57 1.732 -10.545 5.176 1.00 0.00 C flip ATOM 532 CE1 HIS A 57 1.532 -10.620 7.306 1.00 0.00 C flip ATOM 533 NE2 HIS A 57 1.667 -11.352 6.218 1.00 0.00 N flip ATOM 0 H HIS A 57 3.268 -5.958 5.827 1.00 0.00 H new ATOM 0 HA HIS A 57 3.729 -8.306 4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.036 -7.273 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.230 -8.360 3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.844 -10.860 4.149 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.453 -11.002 8.313 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.713 -12.370 6.187 1.00 0.00 H new ATOM 541 N MET A 58 3.241 -6.917 2.077 1.00 0.00 N ATOM 542 CA MET A 58 3.192 -6.051 0.909 1.00 0.00 C ATOM 543 C MET A 58 1.755 -5.877 0.451 1.00 0.00 C ATOM 544 O MET A 58 1.013 -6.852 0.353 1.00 0.00 O ATOM 545 CB MET A 58 4.007 -6.648 -0.241 1.00 0.00 C ATOM 546 CG MET A 58 5.488 -6.809 0.056 1.00 0.00 C ATOM 547 SD MET A 58 6.369 -7.638 -1.284 1.00 0.00 S ATOM 548 CE MET A 58 5.912 -6.604 -2.676 1.00 0.00 C ATOM 0 H MET A 58 3.473 -7.888 1.868 1.00 0.00 H new ATOM 0 HA MET A 58 3.614 -5.085 1.186 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.592 -7.623 -0.496 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.892 -6.013 -1.119 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.931 -5.828 0.227 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.612 -7.379 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.606 -6.775 -3.499 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.900 -6.852 -2.997 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.952 -5.556 -2.379 1.00 0.00 H new ATOM 558 N VAL A 59 1.358 -4.649 0.166 1.00 0.00 N ATOM 559 CA VAL A 59 0.011 -4.400 -0.321 1.00 0.00 C ATOM 560 C VAL A 59 -0.047 -4.626 -1.826 1.00 0.00 C ATOM 561 O VAL A 59 0.632 -3.947 -2.598 1.00 0.00 O ATOM 562 CB VAL A 59 -0.479 -2.969 0.005 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.896 -2.749 -0.509 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.415 -2.701 1.502 1.00 0.00 C ATOM 0 H VAL A 59 1.941 -3.817 0.262 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.650 -5.100 0.191 1.00 0.00 H new ATOM 0 HB VAL A 59 0.185 -2.267 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.217 -1.736 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.917 -2.888 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.569 -3.465 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.764 -1.689 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.048 -3.416 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.614 -2.806 1.847 1.00 0.00 H new ATOM 574 N CYS A 60 -0.837 -5.606 -2.232 1.00 0.00 N ATOM 575 CA CYS A 60 -1.035 -5.883 -3.643 1.00 0.00 C ATOM 576 C CYS A 60 -2.059 -4.901 -4.193 1.00 0.00 C ATOM 577 O CYS A 60 -3.117 -4.701 -3.589 1.00 0.00 O ATOM 578 CB CYS A 60 -1.507 -7.329 -3.843 1.00 0.00 C ATOM 579 SG CYS A 60 -1.599 -7.870 -5.585 1.00 0.00 S ATOM 0 H CYS A 60 -1.351 -6.223 -1.603 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.093 -5.764 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.831 -7.995 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.492 -7.441 -3.390 1.00 0.00 H new ATOM 584 N SER A 61 -1.754 -4.283 -5.326 1.00 0.00 N ATOM 585 CA SER A 61 -2.619 -3.258 -5.892 1.00 0.00 C ATOM 586 C SER A 61 -3.809 -3.876 -6.626 1.00 0.00 C ATOM 587 O SER A 61 -4.206 -3.412 -7.690 1.00 0.00 O ATOM 588 CB SER A 61 -1.819 -2.353 -6.830 1.00 0.00 C ATOM 589 OG SER A 61 -1.257 -3.095 -7.894 1.00 0.00 O ATOM 0 H SER A 61 -0.913 -4.474 -5.871 1.00 0.00 H new ATOM 0 HA SER A 61 -3.013 -2.657 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.467 -1.573 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.027 -1.854 -6.272 1.00 0.00 H new ATOM 0 HG SER A 61 -0.281 -3.008 -7.874 1.00 0.00 H new ATOM 595 N GLN A 62 -4.348 -4.941 -6.053 1.00 0.00 N ATOM 596 CA GLN A 62 -5.591 -5.538 -6.516 1.00 0.00 C ATOM 597 C GLN A 62 -6.608 -5.451 -5.373 1.00 0.00 C ATOM 598 O GLN A 62 -7.598 -6.178 -5.319 1.00 0.00 O ATOM 599 CB GLN A 62 -5.336 -6.994 -6.953 1.00 0.00 C ATOM 600 CG GLN A 62 -6.537 -7.709 -7.565 1.00 0.00 C ATOM 601 CD GLN A 62 -7.196 -6.932 -8.688 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.813 -7.049 -9.853 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.210 -6.155 -8.347 1.00 0.00 N ATOM 0 H GLN A 62 -3.934 -5.417 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.987 -5.008 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.521 -7.002 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.998 -7.562 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.217 -8.680 -7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.273 -7.899 -6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.494 -6.087 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.708 -5.623 -9.061 1.00 0.00 H new ATOM 612 N SER A 63 -6.344 -4.517 -4.462 1.00 0.00 N ATOM 613 CA SER A 63 -7.139 -4.354 -3.259 1.00 0.00 C ATOM 614 C SER A 63 -8.152 -3.224 -3.417 1.00 0.00 C ATOM 615 O SER A 63 -7.882 -2.237 -4.103 1.00 0.00 O ATOM 616 CB SER A 63 -6.218 -4.052 -2.071 1.00 0.00 C ATOM 617 OG SER A 63 -5.301 -5.112 -1.856 1.00 0.00 O ATOM 0 H SER A 63 -5.572 -3.855 -4.542 1.00 0.00 H new ATOM 0 HA SER A 63 -7.684 -5.281 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.673 -3.126 -2.255 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.816 -3.896 -1.173 1.00 0.00 H new ATOM 0 HG SER A 63 -4.527 -5.000 -2.447 1.00 0.00 H new ATOM 623 N TRP A 64 -9.302 -3.389 -2.762 1.00 0.00 N ATOM 624 CA TRP A 64 -10.375 -2.389 -2.736 1.00 0.00 C ATOM 625 C TRP A 64 -10.881 -2.058 -4.138 1.00 0.00 C ATOM 626 O TRP A 64 -11.836 -2.665 -4.623 1.00 0.00 O ATOM 627 CB TRP A 64 -9.917 -1.103 -2.041 1.00 0.00 C ATOM 628 CG TRP A 64 -9.227 -1.328 -0.728 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.764 -1.846 0.416 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.861 -1.025 -0.427 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.813 -1.880 1.407 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.638 -1.386 0.913 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.805 -0.485 -1.165 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.404 -1.223 1.529 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.579 -0.324 -0.551 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.388 -0.693 0.783 1.00 0.00 C ATOM 0 H TRP A 64 -9.519 -4.230 -2.228 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.196 -2.829 -2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.242 -0.564 -2.706 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.784 -0.462 -1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.785 -2.180 0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.960 -2.219 2.358 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.945 -0.199 -2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.252 -1.505 2.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.755 0.094 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.417 -0.557 1.235 1.00 0.00 H new ATOM 647 N GLY A 65 -10.229 -1.096 -4.775 1.00 0.00 N ATOM 648 CA GLY A 65 -10.614 -0.680 -6.108 1.00 0.00 C ATOM 649 C GLY A 65 -9.414 -0.472 -7.012 1.00 0.00 C ATOM 650 O GLY A 65 -9.450 0.350 -7.926 1.00 0.00 O ATOM 0 H GLY A 65 -9.432 -0.592 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.271 -1.432 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.186 0.246 -6.047 1.00 0.00 H new ATOM 654 N ARG A 66 -8.343 -1.209 -6.751 1.00 0.00 N ATOM 655 CA ARG A 66 -7.145 -1.142 -7.573 1.00 0.00 C ATOM 656 C ARG A 66 -7.006 -2.428 -8.371 1.00 0.00 C ATOM 657 O ARG A 66 -7.460 -3.480 -7.932 1.00 0.00 O ATOM 658 CB ARG A 66 -5.896 -0.949 -6.707 1.00 0.00 C ATOM 659 CG ARG A 66 -5.873 0.342 -5.908 1.00 0.00 C ATOM 660 CD ARG A 66 -5.832 1.567 -6.812 1.00 0.00 C ATOM 661 NE ARG A 66 -5.581 2.793 -6.055 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.508 3.418 -5.337 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.731 2.919 -5.256 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.216 4.537 -4.691 1.00 0.00 N ATOM 0 H ARG A 66 -8.281 -1.864 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.237 -0.290 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.815 -1.789 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.016 -0.979 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.756 0.390 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.004 0.347 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.053 1.438 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.778 1.657 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.642 3.190 -6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.962 2.054 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.442 3.399 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.274 4.925 -4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.933 5.011 -4.142 1.00 0.00 H new ATOM 677 N SER A 67 -6.392 -2.338 -9.540 1.00 0.00 N ATOM 678 CA SER A 67 -6.124 -3.512 -10.355 1.00 0.00 C ATOM 679 C SER A 67 -4.838 -3.323 -11.161 1.00 0.00 C ATOM 680 O SER A 67 -3.759 -3.774 -10.762 1.00 0.00 O ATOM 681 CB SER A 67 -7.314 -3.788 -11.279 1.00 0.00 C ATOM 682 OG SER A 67 -7.667 -2.632 -12.029 1.00 0.00 O ATOM 0 H SER A 67 -6.069 -1.460 -9.947 1.00 0.00 H new ATOM 0 HA SER A 67 -5.986 -4.373 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.067 -4.603 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.169 -4.114 -10.687 1.00 0.00 H new ATOM 0 HG SER A 67 -8.428 -2.839 -12.611 1.00 0.00 H new ATOM 688 N SER A 68 -4.960 -2.637 -12.284 1.00 0.00 N ATOM 689 CA SER A 68 -3.819 -2.311 -13.126 1.00 0.00 C ATOM 690 C SER A 68 -3.850 -0.826 -13.472 1.00 0.00 C ATOM 691 O SER A 68 -2.982 -0.307 -14.176 1.00 0.00 O ATOM 692 CB SER A 68 -3.854 -3.151 -14.403 1.00 0.00 C ATOM 693 OG SER A 68 -4.016 -4.529 -14.105 1.00 0.00 O ATOM 0 H SER A 68 -5.851 -2.290 -12.639 1.00 0.00 H new ATOM 0 HA SER A 68 -2.898 -2.534 -12.588 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.672 -2.815 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.931 -3.003 -14.964 1.00 0.00 H new ATOM 0 HG SER A 68 -4.037 -5.044 -14.939 1.00 0.00 H new ATOM 699 N LYS A 69 -4.863 -0.150 -12.954 1.00 0.00 N ATOM 700 CA LYS A 69 -5.074 1.261 -13.227 1.00 0.00 C ATOM 701 C LYS A 69 -4.809 2.090 -11.978 1.00 0.00 C ATOM 702 O LYS A 69 -5.089 1.653 -10.859 1.00 0.00 O ATOM 703 CB LYS A 69 -6.517 1.488 -13.698 1.00 0.00 C ATOM 704 CG LYS A 69 -6.854 2.945 -13.980 1.00 0.00 C ATOM 705 CD LYS A 69 -8.337 3.126 -14.247 1.00 0.00 C ATOM 706 CE LYS A 69 -8.675 4.573 -14.570 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.376 5.488 -13.433 1.00 0.00 N ATOM 0 H LYS A 69 -5.560 -0.563 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.382 1.572 -14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.689 0.904 -14.602 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.200 1.108 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.558 3.560 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.282 3.293 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.638 2.487 -15.077 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.906 2.805 -13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.110 4.889 -15.447 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.732 4.649 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.574 6.469 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.971 5.235 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.374 5.399 -13.170 1.00 0.00 H new ATOM 720 N GLN A 70 -4.255 3.279 -12.174 1.00 0.00 N ATOM 721 CA GLN A 70 -4.101 4.229 -11.085 1.00 0.00 C ATOM 722 C GLN A 70 -5.422 4.963 -10.884 1.00 0.00 C ATOM 723 O GLN A 70 -6.099 5.316 -11.852 1.00 0.00 O ATOM 724 CB GLN A 70 -2.955 5.211 -11.361 1.00 0.00 C ATOM 725 CG GLN A 70 -3.127 6.058 -12.611 1.00 0.00 C ATOM 726 CD GLN A 70 -1.998 7.051 -12.789 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.811 6.685 -12.331 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -2.187 8.133 -13.343 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.906 3.606 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.843 3.693 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.849 5.874 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.026 4.648 -11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.178 5.408 -13.484 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.075 6.594 -12.557 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.118 8.377 -13.682 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.413 8.786 -13.464 1.00 0.00 H new ATOM 737 N TRP A 71 -5.793 5.180 -9.633 1.00 0.00 N ATOM 738 CA TRP A 71 -7.135 5.650 -9.309 1.00 0.00 C ATOM 739 C TRP A 71 -7.192 7.175 -9.252 1.00 0.00 C ATOM 740 O TRP A 71 -6.153 7.831 -9.180 1.00 0.00 O ATOM 741 CB TRP A 71 -7.579 5.044 -7.978 1.00 0.00 C ATOM 742 CG TRP A 71 -9.065 4.918 -7.812 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.913 4.151 -8.559 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.871 5.554 -6.816 1.00 0.00 C ATOM 745 NE1 TRP A 71 -11.197 4.281 -8.093 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.197 5.137 -7.024 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.599 6.440 -5.770 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.249 5.574 -6.223 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.643 6.872 -4.976 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.953 6.438 -5.205 1.00 0.00 C ATOM 0 H TRP A 71 -5.187 5.039 -8.825 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.816 5.328 -10.097 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.131 4.056 -7.877 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.187 5.657 -7.166 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.617 3.533 -9.394 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.018 3.816 -8.480 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.591 6.781 -5.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.262 5.243 -6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.445 7.557 -4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.747 6.793 -4.565 1.00 0.00 H new ATOM 761 N GLU A 72 -8.402 7.720 -9.283 1.00 0.00 N ATOM 762 CA GLU A 72 -8.614 9.166 -9.330 1.00 0.00 C ATOM 763 C GLU A 72 -7.957 9.889 -8.150 1.00 0.00 C ATOM 764 O GLU A 72 -7.165 10.816 -8.344 1.00 0.00 O ATOM 765 CB GLU A 72 -10.121 9.454 -9.370 1.00 0.00 C ATOM 766 CG GLU A 72 -10.486 10.927 -9.291 1.00 0.00 C ATOM 767 CD GLU A 72 -11.970 11.157 -9.502 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.765 10.815 -8.605 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.352 11.650 -10.581 1.00 0.00 O ATOM 0 H GLU A 72 -9.264 7.175 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.139 9.549 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.532 9.040 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.600 8.930 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.193 11.321 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.923 11.481 -10.042 1.00 0.00 H new ATOM 776 N ASP A 73 -8.271 9.456 -6.938 1.00 0.00 N ATOM 777 CA ASP A 73 -7.789 10.135 -5.743 1.00 0.00 C ATOM 778 C ASP A 73 -6.802 9.266 -4.973 1.00 0.00 C ATOM 779 O ASP A 73 -7.189 8.294 -4.321 1.00 0.00 O ATOM 780 CB ASP A 73 -8.959 10.528 -4.841 1.00 0.00 C ATOM 781 CG ASP A 73 -8.503 11.144 -3.533 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.596 12.003 -3.554 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.063 10.780 -2.480 1.00 0.00 O ATOM 0 H ASP A 73 -8.856 8.640 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.269 11.038 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.598 11.236 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.564 9.646 -4.632 1.00 0.00 H new ATOM 788 N PRO A 74 -5.503 9.590 -5.061 1.00 0.00 N ATOM 789 CA PRO A 74 -4.459 8.876 -4.342 1.00 0.00 C ATOM 790 C PRO A 74 -4.117 9.513 -2.995 1.00 0.00 C ATOM 791 O PRO A 74 -3.357 8.950 -2.206 1.00 0.00 O ATOM 792 CB PRO A 74 -3.285 9.001 -5.300 1.00 0.00 C ATOM 793 CG PRO A 74 -3.455 10.341 -5.936 1.00 0.00 C ATOM 794 CD PRO A 74 -4.934 10.659 -5.908 1.00 0.00 C ATOM 0 HA PRO A 74 -4.746 7.855 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.334 8.931 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.295 8.205 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.887 11.099 -5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.082 10.332 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.124 11.647 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.365 10.650 -6.909 1.00 0.00 H new ATOM 802 N SER A 75 -4.698 10.673 -2.721 1.00 0.00 N ATOM 803 CA SER A 75 -4.350 11.443 -1.537 1.00 0.00 C ATOM 804 C SER A 75 -5.136 10.980 -0.312 1.00 0.00 C ATOM 805 O SER A 75 -5.661 11.787 0.453 1.00 0.00 O ATOM 806 CB SER A 75 -4.581 12.931 -1.800 1.00 0.00 C ATOM 807 OG SER A 75 -3.847 13.355 -2.940 1.00 0.00 O ATOM 0 H SER A 75 -5.415 11.102 -3.306 1.00 0.00 H new ATOM 0 HA SER A 75 -3.294 11.279 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.644 13.118 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.278 13.512 -0.929 1.00 0.00 H new ATOM 0 HG SER A 75 -4.007 14.309 -3.096 1.00 0.00 H new ATOM 813 N GLN A 76 -5.216 9.668 -0.139 1.00 0.00 N ATOM 814 CA GLN A 76 -5.828 9.084 1.043 1.00 0.00 C ATOM 815 C GLN A 76 -4.747 8.586 1.991 1.00 0.00 C ATOM 816 O GLN A 76 -4.976 8.406 3.185 1.00 0.00 O ATOM 817 CB GLN A 76 -6.761 7.938 0.647 1.00 0.00 C ATOM 818 CG GLN A 76 -7.982 8.405 -0.124 1.00 0.00 C ATOM 819 CD GLN A 76 -8.886 9.293 0.707 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.995 9.127 1.921 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.517 10.258 0.065 1.00 0.00 N ATOM 0 H GLN A 76 -4.861 8.985 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.418 9.847 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.208 7.220 0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.085 7.414 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.661 8.948 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.545 7.537 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.400 10.362 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.122 10.900 0.577 1.00 0.00 H new ATOM 830 N ALA A 77 -3.553 8.395 1.448 1.00 0.00 N ATOM 831 CA ALA A 77 -2.426 7.897 2.224 1.00 0.00 C ATOM 832 C ALA A 77 -1.539 9.045 2.691 1.00 0.00 C ATOM 833 O ALA A 77 -0.371 8.845 3.024 1.00 0.00 O ATOM 834 CB ALA A 77 -1.618 6.908 1.397 1.00 0.00 C ATOM 0 H ALA A 77 -3.339 8.579 0.468 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.814 7.387 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.778 6.542 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.253 6.070 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.244 7.403 0.501 1.00 0.00 H new ATOM 840 N SER A 78 -2.110 10.245 2.714 1.00 0.00 N ATOM 841 CA SER A 78 -1.381 11.447 3.100 1.00 0.00 C ATOM 842 C SER A 78 -0.736 11.299 4.477 1.00 0.00 C ATOM 843 O SER A 78 0.416 11.686 4.672 1.00 0.00 O ATOM 844 CB SER A 78 -2.322 12.649 3.088 1.00 0.00 C ATOM 845 OG SER A 78 -2.926 12.806 1.815 1.00 0.00 O ATOM 0 H SER A 78 -3.086 10.411 2.467 1.00 0.00 H new ATOM 0 HA SER A 78 -0.581 11.601 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.093 12.520 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.769 13.552 3.346 1.00 0.00 H new ATOM 0 HG SER A 78 -3.772 12.313 1.791 1.00 0.00 H new ATOM 851 N LYS A 79 -1.476 10.721 5.421 1.00 0.00 N ATOM 852 CA LYS A 79 -0.976 10.543 6.782 1.00 0.00 C ATOM 853 C LYS A 79 0.262 9.652 6.791 1.00 0.00 C ATOM 854 O LYS A 79 1.205 9.893 7.550 1.00 0.00 O ATOM 855 CB LYS A 79 -2.064 9.944 7.679 1.00 0.00 C ATOM 856 CG LYS A 79 -1.747 9.979 9.173 1.00 0.00 C ATOM 857 CD LYS A 79 -1.678 11.406 9.717 1.00 0.00 C ATOM 858 CE LYS A 79 -0.329 12.056 9.446 1.00 0.00 C ATOM 859 NZ LYS A 79 -0.349 13.523 9.686 1.00 0.00 N ATOM 0 H LYS A 79 -2.421 10.369 5.269 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.700 11.522 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.996 10.482 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.233 8.909 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.509 9.421 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.796 9.478 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.467 12.005 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.865 11.394 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.427 11.597 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.037 11.863 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.592 13.920 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.051 13.968 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.602 13.709 10.678 1.00 0.00 H new ATOM 872 N VAL A 80 0.265 8.640 5.931 1.00 0.00 N ATOM 873 CA VAL A 80 1.401 7.732 5.823 1.00 0.00 C ATOM 874 C VAL A 80 2.628 8.484 5.329 1.00 0.00 C ATOM 875 O VAL A 80 3.669 8.481 5.985 1.00 0.00 O ATOM 876 CB VAL A 80 1.108 6.551 4.871 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.340 5.673 4.697 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.066 5.730 5.384 1.00 0.00 C ATOM 0 H VAL A 80 -0.506 8.428 5.298 1.00 0.00 H new ATOM 0 HA VAL A 80 1.587 7.327 6.818 1.00 0.00 H new ATOM 0 HB VAL A 80 0.844 6.960 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.107 4.849 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.153 6.266 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.643 5.275 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.258 4.903 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.170 5.337 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.952 6.362 5.446 1.00 0.00 H new ATOM 888 N CYS A 81 2.490 9.148 4.186 1.00 0.00 N ATOM 889 CA CYS A 81 3.592 9.904 3.606 1.00 0.00 C ATOM 890 C CYS A 81 4.087 10.960 4.589 1.00 0.00 C ATOM 891 O CYS A 81 5.286 11.106 4.803 1.00 0.00 O ATOM 892 CB CYS A 81 3.166 10.576 2.296 1.00 0.00 C ATOM 893 SG CYS A 81 2.462 9.446 1.052 1.00 0.00 S ATOM 0 H CYS A 81 1.626 9.177 3.644 1.00 0.00 H new ATOM 0 HA CYS A 81 4.402 9.206 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.431 11.348 2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.032 11.077 1.863 1.00 0.00 H new ATOM 898 N GLN A 82 3.151 11.672 5.211 1.00 0.00 N ATOM 899 CA GLN A 82 3.489 12.751 6.131 1.00 0.00 C ATOM 900 C GLN A 82 4.329 12.238 7.299 1.00 0.00 C ATOM 901 O GLN A 82 5.349 12.831 7.649 1.00 0.00 O ATOM 902 CB GLN A 82 2.217 13.428 6.651 1.00 0.00 C ATOM 903 CG GLN A 82 2.484 14.655 7.509 1.00 0.00 C ATOM 904 CD GLN A 82 3.241 15.737 6.762 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.113 15.877 5.546 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.038 16.507 7.484 1.00 0.00 N ATOM 0 H GLN A 82 2.149 11.519 5.093 1.00 0.00 H new ATOM 0 HA GLN A 82 4.081 13.484 5.584 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.597 13.717 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.644 12.706 7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.536 15.059 7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.054 14.360 8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.116 16.359 8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.574 17.249 7.035 1.00 0.00 H new ATOM 915 N ARG A 83 3.909 11.126 7.890 1.00 0.00 N ATOM 916 CA ARG A 83 4.619 10.562 9.037 1.00 0.00 C ATOM 917 C ARG A 83 5.896 9.848 8.608 1.00 0.00 C ATOM 918 O ARG A 83 6.796 9.641 9.416 1.00 0.00 O ATOM 919 CB ARG A 83 3.712 9.613 9.819 1.00 0.00 C ATOM 920 CG ARG A 83 2.603 10.317 10.594 1.00 0.00 C ATOM 921 CD ARG A 83 3.145 11.173 11.734 1.00 0.00 C ATOM 922 NE ARG A 83 3.855 12.367 11.265 1.00 0.00 N ATOM 923 CZ ARG A 83 4.785 12.998 11.977 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.106 12.558 13.182 1.00 0.00 N ATOM 925 NH2 ARG A 83 5.393 14.067 11.493 1.00 0.00 N ATOM 0 H ARG A 83 3.086 10.598 7.598 1.00 0.00 H new ATOM 0 HA ARG A 83 4.903 11.389 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.263 8.902 9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.320 9.037 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.029 10.945 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.916 9.573 10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.319 11.477 12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.819 10.572 12.344 1.00 0.00 H new ATOM 0 HE ARG A 83 3.623 12.734 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.641 11.735 13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.819 13.041 13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.151 14.415 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.105 14.544 12.047 1.00 0.00 H new ATOM 938 N LEU A 84 5.979 9.489 7.335 1.00 0.00 N ATOM 939 CA LEU A 84 7.172 8.851 6.799 1.00 0.00 C ATOM 940 C LEU A 84 8.180 9.911 6.348 1.00 0.00 C ATOM 941 O LEU A 84 9.180 9.601 5.702 1.00 0.00 O ATOM 942 CB LEU A 84 6.801 7.940 5.627 1.00 0.00 C ATOM 943 CG LEU A 84 7.880 6.944 5.204 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.068 5.868 6.262 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.533 6.322 3.863 1.00 0.00 C ATOM 0 H LEU A 84 5.233 9.629 6.654 1.00 0.00 H new ATOM 0 HA LEU A 84 7.629 8.245 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.901 7.384 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.550 8.564 4.769 1.00 0.00 H new ATOM 0 HG LEU A 84 8.821 7.484 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.841 5.171 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.367 6.331 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.131 5.330 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.312 5.615 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.580 5.799 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.458 7.104 3.108 1.00 0.00 H new ATOM 957 N ASN A 85 7.895 11.165 6.708 1.00 0.00 N ATOM 958 CA ASN A 85 8.757 12.302 6.377 1.00 0.00 C ATOM 959 C ASN A 85 8.731 12.570 4.869 1.00 0.00 C ATOM 960 O ASN A 85 9.755 12.785 4.226 1.00 0.00 O ATOM 961 CB ASN A 85 10.186 12.061 6.901 1.00 0.00 C ATOM 962 CG ASN A 85 11.090 13.275 6.780 1.00 0.00 C ATOM 963 OD1 ASN A 85 11.053 14.178 7.619 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.940 13.280 5.766 1.00 0.00 N ATOM 0 H ASN A 85 7.061 11.420 7.237 1.00 0.00 H new ATOM 0 HA ASN A 85 8.377 13.196 6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.134 11.759 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.630 11.231 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.598 14.051 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.937 12.512 5.094 1.00 0.00 H new ATOM 971 N CYS A 86 7.530 12.553 4.314 1.00 0.00 N ATOM 972 CA CYS A 86 7.316 12.851 2.910 1.00 0.00 C ATOM 973 C CYS A 86 6.116 13.783 2.765 1.00 0.00 C ATOM 974 O CYS A 86 5.464 14.119 3.756 1.00 0.00 O ATOM 975 CB CYS A 86 7.090 11.556 2.126 1.00 0.00 C ATOM 976 SG CYS A 86 8.476 10.379 2.234 1.00 0.00 S ATOM 0 H CYS A 86 6.676 12.332 4.826 1.00 0.00 H new ATOM 0 HA CYS A 86 8.199 13.346 2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.185 11.072 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.916 11.802 1.079 1.00 0.00 H new ATOM 981 N GLY A 87 5.840 14.210 1.544 1.00 0.00 N ATOM 982 CA GLY A 87 4.727 15.108 1.307 1.00 0.00 C ATOM 983 C GLY A 87 3.512 14.397 0.742 1.00 0.00 C ATOM 984 O GLY A 87 3.370 13.188 0.905 1.00 0.00 O ATOM 0 H GLY A 87 6.367 13.951 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.455 15.597 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.038 15.892 0.616 1.00 0.00 H new ATOM 988 N ASP A 88 2.647 15.154 0.073 1.00 0.00 N ATOM 989 CA ASP A 88 1.392 14.627 -0.477 1.00 0.00 C ATOM 990 C ASP A 88 1.628 13.436 -1.401 1.00 0.00 C ATOM 991 O ASP A 88 2.668 13.340 -2.055 1.00 0.00 O ATOM 992 CB ASP A 88 0.651 15.710 -1.264 1.00 0.00 C ATOM 993 CG ASP A 88 0.378 16.953 -0.450 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.236 17.862 -0.443 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.704 17.038 0.164 1.00 0.00 O ATOM 0 H ASP A 88 2.791 16.148 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 88 0.793 14.301 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.239 15.980 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.294 15.305 -1.626 1.00 0.00 H new ATOM 1000 N PRO A 89 0.652 12.520 -1.470 1.00 0.00 N ATOM 1001 CA PRO A 89 0.710 11.358 -2.337 1.00 0.00 C ATOM 1002 C PRO A 89 0.221 11.676 -3.748 1.00 0.00 C ATOM 1003 O PRO A 89 -0.982 11.801 -3.993 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.217 10.345 -1.656 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.951 11.087 -0.581 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.592 12.543 -0.707 1.00 0.00 C ATOM 0 HA PRO A 89 1.729 10.990 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.915 9.915 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.356 9.519 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.027 10.947 -0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.675 10.708 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.370 13.105 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.456 13.009 0.269 1.00 0.00 H new ATOM 1014 N LEU A 90 1.173 11.799 -4.662 1.00 0.00 N ATOM 1015 CA LEU A 90 0.893 12.130 -6.052 1.00 0.00 C ATOM 1016 C LEU A 90 0.179 10.986 -6.757 1.00 0.00 C ATOM 1017 O LEU A 90 -0.716 11.205 -7.574 1.00 0.00 O ATOM 1018 CB LEU A 90 2.196 12.443 -6.789 1.00 0.00 C ATOM 1019 CG LEU A 90 2.975 13.652 -6.267 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.332 13.749 -6.950 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.177 14.932 -6.477 1.00 0.00 C ATOM 0 H LEU A 90 2.165 11.672 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 90 0.243 13.005 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.842 11.567 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.967 12.608 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 90 3.138 13.521 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.872 14.615 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.906 12.845 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.191 13.857 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.746 15.782 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.982 15.069 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.230 14.863 -5.941 1.00 0.00 H new ATOM 1033 N SER A 91 0.582 9.766 -6.443 1.00 0.00 N ATOM 1034 CA SER A 91 0.022 8.589 -7.086 1.00 0.00 C ATOM 1035 C SER A 91 -0.003 7.411 -6.119 1.00 0.00 C ATOM 1036 O SER A 91 0.792 7.347 -5.178 1.00 0.00 O ATOM 1037 CB SER A 91 0.827 8.233 -8.339 1.00 0.00 C ATOM 1038 OG SER A 91 0.825 9.308 -9.265 1.00 0.00 O ATOM 0 H SER A 91 1.297 9.565 -5.744 1.00 0.00 H new ATOM 0 HA SER A 91 -1.003 8.813 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.852 7.990 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.404 7.344 -8.807 1.00 0.00 H new ATOM 0 HG SER A 91 1.346 9.059 -10.057 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.923 6.488 -6.363 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.109 5.323 -5.507 1.00 0.00 C ATOM 1046 C LEU A 92 -1.764 4.211 -6.323 1.00 0.00 C ATOM 1047 O LEU A 92 -2.980 4.218 -6.546 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.981 5.696 -4.295 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.027 4.675 -3.143 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.476 5.358 -1.861 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.972 3.522 -3.459 1.00 0.00 C ATOM 0 H LEU A 92 -1.561 6.525 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.145 4.975 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.623 6.645 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.000 5.862 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.022 4.272 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.506 4.629 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.775 6.153 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.470 5.782 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.981 2.820 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.978 3.909 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.634 3.011 -4.360 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.954 3.277 -6.787 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.460 2.201 -7.617 1.00 0.00 C ATOM 1065 C GLY A 93 -0.371 1.213 -7.975 1.00 0.00 C ATOM 1066 O GLY A 93 0.665 1.192 -7.322 1.00 0.00 O ATOM 0 H GLY A 93 0.049 3.242 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.263 1.683 -7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.890 2.616 -8.529 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.573 0.377 -9.007 1.00 0.00 N ATOM 1071 CA PRO A 94 0.433 -0.603 -9.435 1.00 0.00 C ATOM 1072 C PRO A 94 1.706 0.069 -9.947 1.00 0.00 C ATOM 1073 O PRO A 94 1.723 0.647 -11.034 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.264 -1.372 -10.564 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.343 -0.466 -11.040 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.788 0.318 -9.837 1.00 0.00 C ATOM 0 HA PRO A 94 0.756 -1.242 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.433 -1.611 -11.367 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.672 -2.317 -10.204 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.978 0.197 -11.824 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.171 -1.034 -11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.137 1.313 -10.111 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.608 -0.175 -9.316 1.00 0.00 H new ATOM 1084 N PHE A 95 2.767 -0.004 -9.159 1.00 0.00 N ATOM 1085 CA PHE A 95 4.023 0.641 -9.512 1.00 0.00 C ATOM 1086 C PHE A 95 4.933 -0.341 -10.235 1.00 0.00 C ATOM 1087 O PHE A 95 5.593 0.011 -11.212 1.00 0.00 O ATOM 1088 CB PHE A 95 4.714 1.172 -8.253 1.00 0.00 C ATOM 1089 CG PHE A 95 5.874 2.091 -8.525 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.655 3.415 -8.876 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.181 1.638 -8.419 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.715 4.267 -9.117 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.246 2.487 -8.660 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.012 3.803 -9.010 1.00 0.00 C ATOM 0 H PHE A 95 2.784 -0.504 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 95 3.813 1.478 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.980 1.702 -7.646 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.066 0.327 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.644 3.784 -8.962 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.369 0.610 -8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.530 5.296 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.259 2.122 -8.575 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.842 4.468 -9.200 1.00 0.00 H new ATOM 1104 N LEU A 96 4.947 -1.577 -9.754 1.00 0.00 N ATOM 1105 CA LEU A 96 5.801 -2.618 -10.317 1.00 0.00 C ATOM 1106 C LEU A 96 5.054 -3.946 -10.381 1.00 0.00 C ATOM 1107 O LEU A 96 4.015 -4.122 -9.738 1.00 0.00 O ATOM 1108 CB LEU A 96 7.072 -2.784 -9.475 1.00 0.00 C ATOM 1109 CG LEU A 96 8.046 -1.601 -9.505 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.204 -1.835 -8.545 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.565 -1.376 -10.918 1.00 0.00 C ATOM 0 H LEU A 96 4.373 -1.886 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 96 6.080 -2.317 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.780 -2.965 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.599 -3.674 -9.817 1.00 0.00 H new ATOM 0 HG LEU A 96 7.510 -0.707 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.884 -0.984 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.819 -1.949 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.739 -2.740 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.255 -0.532 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.084 -2.271 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.728 -1.163 -11.583 1.00 0.00 H new ATOM 1123 N LYS A 97 5.580 -4.877 -11.157 1.00 0.00 N ATOM 1124 CA LYS A 97 5.015 -6.214 -11.226 1.00 0.00 C ATOM 1125 C LYS A 97 5.975 -7.206 -10.584 1.00 0.00 C ATOM 1126 O LYS A 97 6.439 -8.147 -11.228 1.00 0.00 O ATOM 1127 CB LYS A 97 4.716 -6.637 -12.672 1.00 0.00 C ATOM 1128 CG LYS A 97 3.711 -5.757 -13.404 1.00 0.00 C ATOM 1129 CD LYS A 97 4.379 -4.572 -14.081 1.00 0.00 C ATOM 1130 CE LYS A 97 3.363 -3.718 -14.825 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.400 -3.070 -13.896 1.00 0.00 N ATOM 0 H LYS A 97 6.398 -4.732 -11.749 1.00 0.00 H new ATOM 0 HA LYS A 97 4.069 -6.206 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.650 -6.641 -13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.343 -7.661 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.185 -6.352 -14.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.963 -5.397 -12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.891 -3.965 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.138 -4.928 -14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.884 -2.953 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.819 -4.338 -15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.846 -2.357 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.759 -3.789 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.920 -2.610 -13.122 1.00 0.00 H new ATOM 1144 N THR A 98 6.285 -6.974 -9.316 1.00 0.00 N ATOM 1145 CA THR A 98 7.195 -7.837 -8.585 1.00 0.00 C ATOM 1146 C THR A 98 6.474 -9.102 -8.116 1.00 0.00 C ATOM 1147 O THR A 98 7.081 -10.168 -7.994 1.00 0.00 O ATOM 1148 CB THR A 98 7.791 -7.098 -7.369 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.247 -5.796 -7.762 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.951 -7.872 -6.759 1.00 0.00 C ATOM 0 H THR A 98 5.917 -6.193 -8.773 1.00 0.00 H new ATOM 0 HA THR A 98 8.005 -8.118 -9.258 1.00 0.00 H new ATOM 0 HB THR A 98 7.005 -7.008 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.060 -5.570 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.346 -7.322 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.602 -8.851 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.736 -7.998 -7.504 1.00 0.00 H new ATOM 1158 N TYR A 99 5.168 -8.962 -7.881 1.00 0.00 N ATOM 1159 CA TYR A 99 4.312 -10.061 -7.417 1.00 0.00 C ATOM 1160 C TYR A 99 4.659 -10.477 -5.986 1.00 0.00 C ATOM 1161 O TYR A 99 3.961 -10.100 -5.046 1.00 0.00 O ATOM 1162 CB TYR A 99 4.377 -11.272 -8.364 1.00 0.00 C ATOM 1163 CG TYR A 99 3.640 -11.076 -9.671 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.224 -10.385 -10.726 1.00 0.00 C ATOM 1165 CD2 TYR A 99 2.361 -11.589 -9.852 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.556 -10.209 -11.921 1.00 0.00 C ATOM 1167 CE2 TYR A 99 1.688 -11.419 -11.045 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.289 -10.727 -12.076 1.00 0.00 C ATOM 1169 OH TYR A 99 1.621 -10.555 -13.266 1.00 0.00 O ATOM 0 H TYR A 99 4.670 -8.081 -8.007 1.00 0.00 H new ATOM 0 HA TYR A 99 3.288 -9.688 -7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.422 -11.496 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.963 -12.141 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.218 -9.979 -10.609 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.886 -12.129 -9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.024 -9.668 -12.730 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.695 -11.826 -11.171 1.00 0.00 H new ATOM 0 HH TYR A 99 0.740 -10.982 -13.211 1.00 0.00 H new ATOM 1179 N THR A 100 5.760 -11.215 -5.835 1.00 0.00 N ATOM 1180 CA THR A 100 6.149 -11.800 -4.552 1.00 0.00 C ATOM 1181 C THR A 100 4.947 -12.470 -3.873 1.00 0.00 C ATOM 1182 O THR A 100 4.418 -11.962 -2.878 1.00 0.00 O ATOM 1183 CB THR A 100 6.768 -10.737 -3.619 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.797 -10.019 -4.318 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.366 -11.378 -2.371 1.00 0.00 C ATOM 0 H THR A 100 6.405 -11.423 -6.597 1.00 0.00 H new ATOM 0 HA THR A 100 6.905 -12.560 -4.750 1.00 0.00 H new ATOM 0 HB THR A 100 5.975 -10.055 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.186 -9.344 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.794 -10.604 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.586 -11.907 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.146 -12.081 -2.662 1.00 0.00 H new ATOM 1193 N PRO A 101 4.504 -13.626 -4.406 1.00 0.00 N ATOM 1194 CA PRO A 101 3.291 -14.314 -3.948 1.00 0.00 C ATOM 1195 C PRO A 101 3.475 -15.020 -2.605 1.00 0.00 C ATOM 1196 O PRO A 101 3.088 -16.174 -2.441 1.00 0.00 O ATOM 1197 CB PRO A 101 3.004 -15.340 -5.059 1.00 0.00 C ATOM 1198 CG PRO A 101 3.997 -15.064 -6.146 1.00 0.00 C ATOM 1199 CD PRO A 101 5.152 -14.366 -5.494 1.00 0.00 C ATOM 0 HA PRO A 101 2.477 -13.608 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.108 -16.359 -4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.984 -15.239 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.321 -15.990 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.557 -14.442 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.893 -15.072 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.667 -13.700 -6.187 1.00 0.00 H new ATOM 1207 N GLN A 102 4.063 -14.313 -1.654 1.00 0.00 N ATOM 1208 CA GLN A 102 4.252 -14.829 -0.308 1.00 0.00 C ATOM 1209 C GLN A 102 3.987 -13.733 0.711 1.00 0.00 C ATOM 1210 O GLN A 102 3.404 -13.973 1.768 1.00 0.00 O ATOM 1211 CB GLN A 102 5.670 -15.375 -0.111 1.00 0.00 C ATOM 1212 CG GLN A 102 6.014 -16.559 -0.997 1.00 0.00 C ATOM 1213 CD GLN A 102 7.343 -17.183 -0.629 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.403 -18.105 0.185 1.00 0.00 O ATOM 1215 NE2 GLN A 102 8.418 -16.683 -1.215 1.00 0.00 N ATOM 0 H GLN A 102 4.422 -13.368 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 102 3.546 -15.647 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.384 -14.574 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.792 -15.669 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.228 -17.310 -0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.042 -16.236 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.325 -15.919 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.340 -17.062 -0.998 1.00 0.00 H new ATOM 1224 N SER A 103 4.413 -12.521 0.380 1.00 0.00 N ATOM 1225 CA SER A 103 4.281 -11.396 1.291 1.00 0.00 C ATOM 1226 C SER A 103 3.162 -10.452 0.855 1.00 0.00 C ATOM 1227 O SER A 103 2.762 -9.567 1.610 1.00 0.00 O ATOM 1228 CB SER A 103 5.606 -10.631 1.365 1.00 0.00 C ATOM 1229 OG SER A 103 6.677 -11.495 1.708 1.00 0.00 O ATOM 0 H SER A 103 4.852 -12.294 -0.512 1.00 0.00 H new ATOM 0 HA SER A 103 4.026 -11.788 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.810 -10.158 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.528 -9.833 2.103 1.00 0.00 H new ATOM 0 HG SER A 103 7.511 -10.982 1.747 1.00 0.00 H new ATOM 1235 N SER A 104 2.656 -10.648 -0.356 1.00 0.00 N ATOM 1236 CA SER A 104 1.658 -9.748 -0.918 1.00 0.00 C ATOM 1237 C SER A 104 0.244 -10.106 -0.449 1.00 0.00 C ATOM 1238 O SER A 104 -0.197 -11.255 -0.550 1.00 0.00 O ATOM 1239 CB SER A 104 1.748 -9.765 -2.448 1.00 0.00 C ATOM 1240 OG SER A 104 1.807 -11.091 -2.943 1.00 0.00 O ATOM 0 H SER A 104 2.920 -11.421 -0.967 1.00 0.00 H new ATOM 0 HA SER A 104 1.867 -8.740 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.883 -9.254 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.632 -9.214 -2.769 1.00 0.00 H new ATOM 0 HG SER A 104 2.743 -11.367 -3.029 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.461 -9.115 0.077 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.823 -9.312 0.543 1.00 0.00 C ATOM 1248 C ILE A 105 -2.806 -8.466 -0.259 1.00 0.00 C ATOM 1249 O ILE A 105 -2.442 -7.434 -0.827 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.990 -8.969 2.043 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.600 -7.509 2.310 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.179 -9.927 2.912 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.844 -7.054 3.734 1.00 0.00 C ATOM 0 H ILE A 105 -0.110 -8.164 0.191 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.038 -10.371 0.401 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.040 -9.089 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.544 -7.377 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.161 -6.865 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.312 -9.667 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.522 -10.948 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.124 -9.851 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.542 -6.012 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.904 -7.151 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.262 -7.671 4.418 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.046 -8.916 -0.294 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.125 -8.193 -0.942 1.00 0.00 C ATOM 1267 C ILE A 106 -6.214 -7.891 0.081 1.00 0.00 C ATOM 1268 O ILE A 106 -6.622 -8.772 0.841 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.716 -8.994 -2.132 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.842 -8.823 -3.372 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.151 -8.573 -2.432 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.238 -9.725 -4.523 1.00 0.00 C ATOM 0 H ILE A 106 -4.335 -9.798 0.129 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.723 -7.262 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.731 -10.047 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.892 -7.785 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.804 -9.023 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.533 -9.155 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.773 -8.750 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.174 -7.513 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.574 -9.548 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.161 -10.767 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.265 -9.510 -4.817 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.658 -6.649 0.122 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.703 -6.254 1.050 1.00 0.00 C ATOM 1286 C CYS A 107 -8.997 -5.985 0.292 1.00 0.00 C ATOM 1287 O CYS A 107 -8.972 -5.536 -0.856 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.279 -5.024 1.853 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.847 -5.061 3.582 1.00 0.00 S ATOM 0 H CYS A 107 -6.313 -5.897 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.873 -7.070 1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.192 -4.945 1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.671 -4.130 1.368 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.122 -6.262 0.929 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.410 -6.201 0.253 1.00 0.00 C ATOM 1296 C TYR A 108 -12.307 -5.142 0.881 1.00 0.00 C ATOM 1297 O TYR A 108 -12.154 -4.806 2.056 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.117 -7.560 0.332 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.281 -8.731 -0.140 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.205 -9.063 -1.487 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.571 -9.511 0.769 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.445 -10.134 -1.916 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.807 -10.584 0.347 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.748 -10.891 -0.996 1.00 0.00 C ATOM 1305 OH TYR A 108 -8.987 -11.958 -1.421 1.00 0.00 O ATOM 0 H TYR A 108 -10.171 -6.531 1.912 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.225 -5.940 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.420 -7.738 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.028 -7.517 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.749 -8.474 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.618 -9.274 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.396 -10.378 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.260 -11.178 1.065 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.560 -12.384 -0.648 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.239 -4.625 0.091 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.261 -3.741 0.615 1.00 0.00 C ATOM 1317 C GLY A 109 -13.877 -2.275 0.601 1.00 0.00 C ATOM 1318 O GLY A 109 -13.548 -1.712 -0.446 1.00 0.00 O ATOM 0 H GLY A 109 -13.305 -4.804 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.173 -3.872 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.491 -4.036 1.639 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.930 -1.668 1.779 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.744 -0.229 1.941 1.00 0.00 C ATOM 1324 C GLN A 110 -12.296 0.197 1.722 1.00 0.00 C ATOM 1325 O GLN A 110 -11.392 -0.228 2.443 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.198 0.196 3.338 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.697 0.069 3.560 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.063 0.008 5.028 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.194 -0.583 5.834 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -17.126 0.475 5.433 1.00 0.00 N flip ATOM 0 H GLN A 110 -14.104 -2.161 2.655 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.350 0.265 1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.677 -0.410 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.901 1.231 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.203 0.917 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.060 -0.829 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.768 0.923 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.365 0.415 6.423 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.098 1.055 0.730 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.782 1.593 0.416 1.00 0.00 C ATOM 1341 C LEU A 111 -10.237 2.373 1.610 1.00 0.00 C ATOM 1342 O LEU A 111 -10.836 3.356 2.049 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.889 2.501 -0.819 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.587 2.786 -1.590 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.905 3.489 -2.900 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.627 3.637 -0.775 1.00 0.00 C ATOM 0 H LEU A 111 -12.843 1.396 0.122 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.094 0.776 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.601 2.050 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.312 3.455 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.104 1.830 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.979 3.688 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.550 2.854 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.414 4.431 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.720 3.817 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.099 4.590 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.372 3.116 0.148 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.109 1.920 2.138 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.475 2.619 3.240 1.00 0.00 C ATOM 1360 C GLY A 112 -8.426 1.791 4.504 1.00 0.00 C ATOM 1361 O GLY A 112 -7.672 2.101 5.429 1.00 0.00 O ATOM 0 H GLY A 112 -8.621 1.081 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.461 2.897 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.016 3.545 3.437 1.00 0.00 H new ATOM 1365 N SER A 113 -9.221 0.731 4.549 1.00 0.00 N ATOM 1366 CA SER A 113 -9.269 -0.122 5.720 1.00 0.00 C ATOM 1367 C SER A 113 -8.379 -1.344 5.513 1.00 0.00 C ATOM 1368 O SER A 113 -8.385 -1.951 4.440 1.00 0.00 O ATOM 1369 CB SER A 113 -10.710 -0.547 6.014 1.00 0.00 C ATOM 1370 OG SER A 113 -10.827 -1.102 7.317 1.00 0.00 O ATOM 0 H SER A 113 -9.838 0.445 3.789 1.00 0.00 H new ATOM 0 HA SER A 113 -8.898 0.438 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.372 0.314 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.034 -1.279 5.274 1.00 0.00 H new ATOM 0 HG SER A 113 -11.758 -1.363 7.479 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.609 -1.680 6.538 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.696 -2.817 6.488 1.00 0.00 C ATOM 1378 C PHE A 114 -7.063 -3.852 7.546 1.00 0.00 C ATOM 1379 O PHE A 114 -6.219 -4.634 7.981 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.253 -2.358 6.719 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.669 -1.548 5.597 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.792 -0.165 5.582 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.989 -2.169 4.563 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.244 0.578 4.555 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.441 -1.429 3.536 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.570 -0.054 3.531 1.00 0.00 C ATOM 0 H PHE A 114 -7.598 -1.176 7.425 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.781 -3.267 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.215 -1.767 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.627 -3.236 6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.321 0.334 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.887 -3.244 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.343 1.653 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.911 -1.925 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.143 0.526 2.726 1.00 0.00 H new ATOM 1396 N SER A 115 -8.320 -3.849 7.963 1.00 0.00 N ATOM 1397 CA SER A 115 -8.773 -4.734 9.026 1.00 0.00 C ATOM 1398 C SER A 115 -9.027 -6.143 8.490 1.00 0.00 C ATOM 1399 O SER A 115 -8.641 -7.137 9.110 1.00 0.00 O ATOM 1400 CB SER A 115 -10.047 -4.176 9.668 1.00 0.00 C ATOM 1401 OG SER A 115 -9.901 -2.800 9.991 1.00 0.00 O ATOM 0 H SER A 115 -9.046 -3.243 7.581 1.00 0.00 H new ATOM 0 HA SER A 115 -7.989 -4.792 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.887 -4.305 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.280 -4.741 10.571 1.00 0.00 H new ATOM 0 HG SER A 115 -9.169 -2.691 10.634 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.672 -6.227 7.336 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.010 -7.518 6.755 1.00 0.00 C ATOM 1409 C ASN A 116 -9.268 -7.741 5.442 1.00 0.00 C ATOM 1410 O ASN A 116 -9.874 -7.806 4.369 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.520 -7.641 6.538 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.309 -7.578 7.833 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.755 -6.510 8.256 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.490 -8.723 8.476 1.00 0.00 N ATOM 0 H ASN A 116 -9.970 -5.422 6.786 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.698 -8.289 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.853 -6.842 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.734 -8.583 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.013 -8.739 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.106 -9.588 8.095 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.954 -7.847 5.531 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.137 -8.157 4.368 1.00 0.00 C ATOM 1423 C CYS A 117 -6.754 -9.636 4.394 1.00 0.00 C ATOM 1424 O CYS A 117 -6.800 -10.272 5.447 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.875 -7.289 4.343 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.164 -5.508 4.631 1.00 0.00 S ATOM 0 H CYS A 117 -7.428 -7.723 6.396 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.714 -7.945 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.183 -7.657 5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.386 -7.412 3.377 1.00 0.00 H new ATOM 1431 N SER A 118 -6.392 -10.188 3.246 1.00 0.00 N ATOM 1432 CA SER A 118 -6.037 -11.599 3.157 1.00 0.00 C ATOM 1433 C SER A 118 -4.910 -11.808 2.149 1.00 0.00 C ATOM 1434 O SER A 118 -4.589 -10.911 1.374 1.00 0.00 O ATOM 1435 CB SER A 118 -7.272 -12.414 2.764 1.00 0.00 C ATOM 1436 OG SER A 118 -8.337 -12.172 3.670 1.00 0.00 O ATOM 0 H SER A 118 -6.336 -9.682 2.362 1.00 0.00 H new ATOM 0 HA SER A 118 -5.682 -11.939 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.581 -12.152 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.027 -13.476 2.757 1.00 0.00 H new ATOM 0 HG SER A 118 -9.119 -12.699 3.404 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.297 -12.987 2.176 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.195 -13.299 1.271 1.00 0.00 C ATOM 1444 C HIS A 119 -3.725 -13.511 -0.147 1.00 0.00 C ATOM 1445 O HIS A 119 -4.791 -14.096 -0.332 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.442 -14.545 1.759 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.212 -14.869 0.958 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.963 -16.117 0.433 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.157 -14.095 0.600 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.188 -16.101 -0.214 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.696 -14.886 -0.127 1.00 0.00 N ATOM 0 H HIS A 119 -4.544 -13.743 2.815 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.499 -12.460 1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.157 -14.400 2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.118 -15.400 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.015 -13.052 0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.637 -16.939 -0.727 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.581 -14.584 -0.535 1.00 0.00 H new ATOM 1459 N SER A 120 -2.976 -13.023 -1.133 1.00 0.00 N ATOM 1460 CA SER A 120 -3.378 -13.109 -2.534 1.00 0.00 C ATOM 1461 C SER A 120 -3.548 -14.566 -2.961 1.00 0.00 C ATOM 1462 O SER A 120 -2.581 -15.326 -3.002 1.00 0.00 O ATOM 1463 CB SER A 120 -2.337 -12.412 -3.417 1.00 0.00 C ATOM 1464 OG SER A 120 -2.722 -12.428 -4.782 1.00 0.00 O ATOM 0 H SER A 120 -2.079 -12.560 -0.985 1.00 0.00 H new ATOM 0 HA SER A 120 -4.339 -12.608 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.208 -11.382 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.372 -12.906 -3.304 1.00 0.00 H new ATOM 0 HG SER A 120 -3.697 -12.499 -4.846 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.783 -14.949 -3.262 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.084 -16.312 -3.684 1.00 0.00 C ATOM 1472 C ARG A 121 -5.656 -16.343 -5.098 1.00 0.00 C ATOM 1473 O ARG A 121 -6.411 -17.246 -5.454 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.059 -16.967 -2.706 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.414 -17.382 -1.395 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.396 -18.489 -1.612 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.015 -19.682 -2.187 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.405 -20.510 -3.026 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.154 -20.279 -3.402 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.038 -21.577 -3.485 1.00 0.00 N ATOM 0 H ARG A 121 -5.595 -14.333 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.150 -16.874 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.873 -16.273 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.501 -17.844 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.927 -16.521 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.182 -17.721 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.606 -18.133 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.926 -18.744 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.979 -19.892 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.657 -19.462 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.689 -20.918 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.997 -21.765 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.567 -22.212 -4.130 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.289 -15.357 -5.903 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.746 -15.292 -7.287 1.00 0.00 C ATOM 1495 C ASN A 122 -4.559 -15.271 -8.243 1.00 0.00 C ATOM 1496 O ASN A 122 -3.413 -15.156 -7.806 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.660 -14.077 -7.521 1.00 0.00 C ATOM 1498 CG ASN A 122 -6.133 -12.773 -6.933 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.818 -12.611 -6.871 1.00 0.00 O flip ATOM 1500 ND2 ASN A 122 -6.917 -11.908 -6.541 1.00 0.00 N flip ATOM 0 H ASN A 122 -4.677 -14.591 -5.624 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.334 -16.188 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.804 -13.946 -8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -7.640 -14.286 -7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.923 -12.065 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.560 -11.034 -6.154 1.00 0.00 H new ATOM 1507 N ASP A 123 -4.845 -15.363 -9.542 1.00 0.00 N ATOM 1508 CA ASP A 123 -3.799 -15.506 -10.564 1.00 0.00 C ATOM 1509 C ASP A 123 -2.772 -14.380 -10.512 1.00 0.00 C ATOM 1510 O ASP A 123 -1.599 -14.615 -10.225 1.00 0.00 O ATOM 1511 CB ASP A 123 -4.400 -15.559 -11.978 1.00 0.00 C ATOM 1512 CG ASP A 123 -5.238 -16.794 -12.236 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -4.685 -17.912 -12.217 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -6.453 -16.649 -12.484 1.00 0.00 O ATOM 0 H ASP A 123 -5.794 -15.341 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 123 -3.295 -16.446 -10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.016 -14.673 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.592 -15.519 -12.709 1.00 0.00 H new ATOM 1519 N MET A 124 -3.211 -13.161 -10.784 1.00 0.00 N ATOM 1520 CA MET A 124 -2.285 -12.043 -10.927 1.00 0.00 C ATOM 1521 C MET A 124 -2.248 -11.172 -9.678 1.00 0.00 C ATOM 1522 O MET A 124 -3.198 -11.140 -8.897 1.00 0.00 O ATOM 1523 CB MET A 124 -2.652 -11.185 -12.145 1.00 0.00 C ATOM 1524 CG MET A 124 -3.978 -10.448 -12.011 1.00 0.00 C ATOM 1525 SD MET A 124 -4.325 -9.373 -13.416 1.00 0.00 S ATOM 1526 CE MET A 124 -5.910 -8.683 -12.939 1.00 0.00 C ATOM 0 H MET A 124 -4.194 -12.919 -10.910 1.00 0.00 H new ATOM 0 HA MET A 124 -1.292 -12.469 -11.072 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.859 -10.456 -12.314 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.692 -11.824 -13.027 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.784 -11.175 -11.908 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.967 -9.853 -11.098 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.255 -7.996 -13.712 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.635 -9.487 -12.818 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.804 -8.145 -11.997 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.136 -10.470 -9.508 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.954 -9.530 -8.412 1.00 0.00 C ATOM 1538 C CYS A 125 0.055 -8.465 -8.823 1.00 0.00 C ATOM 1539 O CYS A 125 1.016 -8.748 -9.541 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.481 -10.255 -7.146 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.031 -9.151 -5.763 1.00 0.00 S ATOM 0 H CYS A 125 -0.331 -10.537 -10.130 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.910 -9.056 -8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.270 -10.930 -6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.382 -10.872 -7.397 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.168 -7.236 -8.394 1.00 0.00 N ATOM 1547 CA HIS A 126 0.714 -6.137 -8.749 1.00 0.00 C ATOM 1548 C HIS A 126 1.187 -5.430 -7.488 1.00 0.00 C ATOM 1549 O HIS A 126 0.455 -5.360 -6.503 1.00 0.00 O ATOM 1550 CB HIS A 126 0.003 -5.151 -9.683 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.461 -5.759 -10.972 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.731 -5.573 -11.479 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.183 -6.553 -11.861 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.849 -6.228 -12.618 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.701 -6.830 -12.873 1.00 0.00 N ATOM 0 H HIS A 126 -0.953 -6.973 -7.798 1.00 0.00 H new ATOM 0 HA HIS A 126 1.579 -6.537 -9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.856 -4.728 -9.162 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.679 -4.325 -9.905 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.464 -5.016 -11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.202 -6.903 -11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.733 -6.266 -13.237 1.00 0.00 H new ATOM 1563 N SER A 127 2.407 -4.921 -7.514 1.00 0.00 N ATOM 1564 CA SER A 127 2.986 -4.275 -6.350 1.00 0.00 C ATOM 1565 C SER A 127 2.530 -2.821 -6.269 1.00 0.00 C ATOM 1566 O SER A 127 2.796 -2.027 -7.178 1.00 0.00 O ATOM 1567 CB SER A 127 4.511 -4.360 -6.426 1.00 0.00 C ATOM 1568 OG SER A 127 4.924 -5.693 -6.691 1.00 0.00 O ATOM 0 H SER A 127 3.017 -4.943 -8.331 1.00 0.00 H new ATOM 0 HA SER A 127 2.648 -4.786 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.879 -3.697 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.947 -4.018 -5.487 1.00 0.00 H new ATOM 0 HG SER A 127 5.057 -6.169 -5.845 1.00 0.00 H new ATOM 1574 N LEU A 128 1.836 -2.484 -5.189 1.00 0.00 N ATOM 1575 CA LEU A 128 1.307 -1.139 -5.013 1.00 0.00 C ATOM 1576 C LEU A 128 2.435 -0.169 -4.684 1.00 0.00 C ATOM 1577 O LEU A 128 3.185 -0.366 -3.725 1.00 0.00 O ATOM 1578 CB LEU A 128 0.234 -1.124 -3.912 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.673 0.116 -3.873 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.947 -0.189 -3.102 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.040 1.304 -3.240 1.00 0.00 C ATOM 0 H LEU A 128 1.627 -3.124 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 128 0.841 -0.820 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.395 -2.006 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.731 -1.217 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.925 0.377 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.581 0.697 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.480 -1.005 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.695 -0.478 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.628 2.165 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.328 1.054 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.931 1.545 -3.820 1.00 0.00 H new ATOM 1593 N GLY A 129 2.547 0.867 -5.497 1.00 0.00 N ATOM 1594 CA GLY A 129 3.541 1.890 -5.285 1.00 0.00 C ATOM 1595 C GLY A 129 2.916 3.189 -4.841 1.00 0.00 C ATOM 1596 O GLY A 129 1.996 3.699 -5.486 1.00 0.00 O ATOM 0 H GLY A 129 1.955 1.017 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.255 1.554 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.100 2.051 -6.207 1.00 0.00 H new ATOM 1600 N LEU A 130 3.405 3.715 -3.737 1.00 0.00 N ATOM 1601 CA LEU A 130 2.920 4.975 -3.212 1.00 0.00 C ATOM 1602 C LEU A 130 3.930 6.069 -3.531 1.00 0.00 C ATOM 1603 O LEU A 130 5.084 5.997 -3.109 1.00 0.00 O ATOM 1604 CB LEU A 130 2.701 4.866 -1.702 1.00 0.00 C ATOM 1605 CG LEU A 130 2.157 6.122 -1.018 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.832 6.543 -1.634 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.996 5.874 0.474 1.00 0.00 C ATOM 0 H LEU A 130 4.145 3.285 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 130 1.965 5.224 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.011 4.044 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.649 4.602 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 130 2.870 6.933 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.465 7.438 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.974 6.755 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.105 5.739 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.608 6.773 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.301 5.050 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.964 5.621 0.907 1.00 0.00 H new ATOM 1619 N THR A 131 3.510 7.054 -4.307 1.00 0.00 N ATOM 1620 CA THR A 131 4.395 8.128 -4.717 1.00 0.00 C ATOM 1621 C THR A 131 4.102 9.405 -3.933 1.00 0.00 C ATOM 1622 O THR A 131 3.204 10.164 -4.284 1.00 0.00 O ATOM 1623 CB THR A 131 4.245 8.410 -6.224 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.333 7.181 -6.954 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.321 9.369 -6.712 1.00 0.00 C ATOM 0 H THR A 131 2.558 7.131 -4.666 1.00 0.00 H new ATOM 0 HA THR A 131 5.417 7.811 -4.510 1.00 0.00 H new ATOM 0 HB THR A 131 3.272 8.872 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.236 7.362 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.190 9.550 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.240 10.312 -6.172 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.304 8.933 -6.536 1.00 0.00 H new ATOM 1633 N CYS A 132 4.852 9.629 -2.869 1.00 0.00 N ATOM 1634 CA CYS A 132 4.687 10.825 -2.054 1.00 0.00 C ATOM 1635 C CYS A 132 5.728 11.867 -2.460 1.00 0.00 C ATOM 1636 O CYS A 132 6.824 11.511 -2.896 1.00 0.00 O ATOM 1637 CB CYS A 132 4.851 10.471 -0.572 1.00 0.00 C ATOM 1638 SG CYS A 132 4.058 8.899 -0.083 1.00 0.00 S ATOM 0 H CYS A 132 5.585 8.997 -2.546 1.00 0.00 H new ATOM 0 HA CYS A 132 3.689 11.235 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.914 10.416 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.434 11.278 0.031 1.00 0.00 H new ATOM 1643 N LEU A 133 5.371 13.146 -2.350 1.00 0.00 N ATOM 1644 CA LEU A 133 6.301 14.234 -2.646 1.00 0.00 C ATOM 1645 C LEU A 133 7.559 14.111 -1.794 1.00 0.00 C ATOM 1646 O LEU A 133 7.482 13.781 -0.608 1.00 0.00 O ATOM 1647 CB LEU A 133 5.644 15.595 -2.396 1.00 0.00 C ATOM 1648 CG LEU A 133 4.611 16.044 -3.434 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.885 17.291 -2.954 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.281 16.321 -4.772 1.00 0.00 C ATOM 0 H LEU A 133 4.444 13.454 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 133 6.574 14.162 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.160 15.569 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.428 16.350 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 133 3.887 15.239 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.154 17.597 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.374 17.076 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.605 18.095 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.531 16.639 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.024 17.109 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.769 15.414 -5.129 1.00 0.00 H new ATOM 1662 N GLU A 134 8.706 14.377 -2.398 1.00 0.00 N ATOM 1663 CA GLU A 134 9.978 14.242 -1.708 1.00 0.00 C ATOM 1664 C GLU A 134 10.823 15.494 -1.893 1.00 0.00 C ATOM 1665 O GLU A 134 11.317 15.713 -3.017 1.00 0.00 O ATOM 1666 CB GLU A 134 10.732 13.013 -2.220 1.00 0.00 C ATOM 1667 CG GLU A 134 12.000 12.718 -1.442 1.00 0.00 C ATOM 1668 CD GLU A 134 12.728 11.503 -1.961 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.403 10.379 -1.526 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.638 11.662 -2.798 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.986 16.251 -0.910 1.00 0.00 O ATOM 0 H GLU A 134 8.782 14.688 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 134 9.780 14.114 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.074 12.145 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.985 13.162 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.662 13.583 -1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.751 12.567 -0.392 1.00 0.00 H new