USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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 23 THR OG1 : rot 74:sc= 0.924 USER MOD Set 1.2: B 124 ASN :FLIP amide:sc= -1.13 F(o=-2.3!,f=-0.21) USER MOD Set 2.1: A 41 GLN : amide:sc= -2.1 K(o=-2.8,f=-3.3) USER MOD Set 2.2: B 141 GLN : amide:sc= -0.658 K(o=-2.8,f=-12!) USER MOD Set 3.1: A 33 GLN :FLIP amide:sc= -1.22 F(o=-2.8!,f=-0.85) USER MOD Set 3.2: A 38 THR OG1 : rot -132:sc= 0.369 USER MOD Single : A 1 ASP N :NH3+ -109:sc= 0.0341 (180deg=-0.0578) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= -0.684 (180deg=-0.921) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.038 X(o=0.038,f=-0.079) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0189 F(o=-1.2,f=-0.019) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 0.862 (180deg=0.345) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.33 K(o=-3.3,f=-4.2!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.18 F(o=-3.3!,f=-1.2) USER MOD Single : A 25 MET CE :methyl 146:sc= -0.199 (180deg=-1.82!) USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.741 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0.528 (180deg=0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.023 F(o=-1.5,f=-0.023) USER MOD Single : B 103 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0375) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.098) USER MOD Single : B 113 ASN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : B 115 LYS NZ :NH3+ -160:sc= 0.666 (180deg=0.458) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3.1!) USER MOD Single : B 121 HIS : no HE2:sc= 0.374 K(o=0.37,f=-1.6) USER MOD Single : B 123 THR OG1 : rot 73:sc= 1.04 USER MOD Single : B 125 MET CE :methyl -163:sc= -0.0642 (180deg=-0.394) USER MOD Single : B 128 THR OG1 : rot 63:sc= 1.23 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.125 F(o=-1.9!,f=-0.12) USER MOD Single : B 136 LYS NZ :NH3+ -167:sc= 0.39 (180deg=-0.00105) USER MOD Single : B 138 THR OG1 : rot 57:sc= -1.8! USER MOD Single : B 139 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.779 -6.327 24.759 1.00 64.13 N ATOM 2 CA ASP A 1 15.974 -6.448 23.301 1.00 34.41 C ATOM 3 C ASP A 1 14.623 -6.648 22.596 1.00 52.03 C ATOM 4 O ASP A 1 14.189 -5.818 21.816 1.00 54.12 O ATOM 5 CB ASP A 1 16.923 -7.628 22.964 1.00 51.03 C ATOM 6 CG ASP A 1 18.294 -7.519 23.641 1.00 35.04 C ATOM 7 OD1 ASP A 1 19.276 -7.110 22.990 1.00 2.14 O ATOM 8 OD2 ASP A 1 18.390 -7.826 24.845 1.00 0.14 O ATOM 0 H1 ASP A 1 15.958 -5.346 25.053 1.00 64.13 H new ATOM 0 H2 ASP A 1 14.802 -6.588 25.001 1.00 64.13 H new ATOM 0 H3 ASP A 1 16.439 -6.962 25.251 1.00 64.13 H new ATOM 0 HA ASP A 1 16.430 -5.524 22.945 1.00 34.41 H new ATOM 0 HB2 ASP A 1 16.450 -8.562 23.266 1.00 51.03 H new ATOM 0 HB3 ASP A 1 17.062 -7.676 21.884 1.00 51.03 H new ATOM 15 N PHE A 2 13.953 -7.755 22.918 1.00 75.45 N ATOM 16 CA PHE A 2 12.783 -8.250 22.169 1.00 5.03 C ATOM 17 C PHE A 2 11.531 -7.348 22.257 1.00 40.00 C ATOM 18 O PHE A 2 10.665 -7.424 21.375 1.00 75.41 O ATOM 19 CB PHE A 2 12.466 -9.670 22.638 1.00 23.41 C ATOM 20 CG PHE A 2 13.553 -10.698 22.295 1.00 34.33 C ATOM 21 CD1 PHE A 2 14.391 -11.239 23.273 1.00 21.43 C ATOM 22 CD2 PHE A 2 13.710 -11.139 20.978 1.00 11.52 C ATOM 23 CE1 PHE A 2 15.345 -12.188 22.945 1.00 23.31 C ATOM 24 CE2 PHE A 2 14.661 -12.084 20.650 1.00 13.35 C ATOM 25 CZ PHE A 2 15.477 -12.611 21.635 1.00 3.51 C ATOM 0 H PHE A 2 14.205 -8.343 23.712 1.00 75.45 H new ATOM 0 HA PHE A 2 13.054 -8.238 21.113 1.00 5.03 H new ATOM 0 HB2 PHE A 2 12.317 -9.660 23.718 1.00 23.41 H new ATOM 0 HB3 PHE A 2 11.525 -9.988 22.189 1.00 23.41 H new ATOM 0 HD1 PHE A 2 14.294 -10.913 24.298 1.00 21.43 H new ATOM 0 HD2 PHE A 2 13.076 -10.733 20.203 1.00 11.52 H new ATOM 0 HE1 PHE A 2 15.986 -12.598 23.712 1.00 23.31 H new ATOM 0 HE2 PHE A 2 14.768 -12.411 19.626 1.00 13.35 H new ATOM 0 HZ PHE A 2 16.218 -13.354 21.380 1.00 3.51 H new ATOM 35 N LYS A 3 11.436 -6.493 23.294 1.00 63.51 N ATOM 36 CA LYS A 3 10.302 -5.547 23.418 1.00 53.13 C ATOM 37 C LYS A 3 10.342 -4.520 22.266 1.00 5.11 C ATOM 38 O LYS A 3 9.310 -4.202 21.662 1.00 60.45 O ATOM 39 CB LYS A 3 10.256 -4.825 24.805 1.00 2.11 C ATOM 40 CG LYS A 3 11.304 -3.700 25.049 1.00 25.51 C ATOM 41 CD LYS A 3 12.761 -4.194 25.245 1.00 50.05 C ATOM 42 CE LYS A 3 13.085 -4.597 26.703 1.00 53.45 C ATOM 43 NZ LYS A 3 12.136 -5.589 27.288 1.00 72.53 N ATOM 0 H LYS A 3 12.119 -6.435 24.050 1.00 63.51 H new ATOM 0 HA LYS A 3 9.386 -6.134 23.350 1.00 53.13 H new ATOM 0 HB2 LYS A 3 9.262 -4.396 24.931 1.00 2.11 H new ATOM 0 HB3 LYS A 3 10.379 -5.578 25.584 1.00 2.11 H new ATOM 0 HG2 LYS A 3 11.280 -3.012 24.204 1.00 25.51 H new ATOM 0 HG3 LYS A 3 11.007 -3.132 25.931 1.00 25.51 H new ATOM 0 HD2 LYS A 3 12.937 -5.049 24.592 1.00 50.05 H new ATOM 0 HD3 LYS A 3 13.448 -3.408 24.933 1.00 50.05 H new ATOM 0 HE2 LYS A 3 14.093 -5.010 26.739 1.00 53.45 H new ATOM 0 HE3 LYS A 3 13.086 -3.701 27.324 1.00 53.45 H new ATOM 0 HZ1 LYS A 3 12.510 -5.935 28.195 1.00 72.53 H new ATOM 0 HZ2 LYS A 3 11.213 -5.136 27.445 1.00 72.53 H new ATOM 0 HZ3 LYS A 3 12.022 -6.389 26.633 1.00 72.53 H new ATOM 57 N LYS A 4 11.568 -4.041 21.941 1.00 33.02 N ATOM 58 CA LYS A 4 11.763 -3.074 20.864 1.00 51.20 C ATOM 59 C LYS A 4 11.713 -3.808 19.515 1.00 4.44 C ATOM 60 O LYS A 4 11.275 -3.226 18.549 1.00 0.14 O ATOM 61 CB LYS A 4 13.086 -2.259 21.062 1.00 14.13 C ATOM 62 CG LYS A 4 14.405 -3.013 20.746 1.00 64.24 C ATOM 63 CD LYS A 4 14.965 -2.715 19.329 1.00 5.11 C ATOM 64 CE LYS A 4 15.893 -3.820 18.807 1.00 53.43 C ATOM 65 NZ LYS A 4 17.094 -4.011 19.657 1.00 71.31 N ATOM 0 H LYS A 4 12.428 -4.316 22.416 1.00 33.02 H new ATOM 0 HA LYS A 4 10.958 -2.339 20.881 1.00 51.20 H new ATOM 0 HB2 LYS A 4 13.039 -1.370 20.432 1.00 14.13 H new ATOM 0 HB3 LYS A 4 13.126 -1.915 22.096 1.00 14.13 H new ATOM 0 HG2 LYS A 4 15.156 -2.743 21.489 1.00 64.24 H new ATOM 0 HG3 LYS A 4 14.233 -4.085 20.842 1.00 64.24 H new ATOM 0 HD2 LYS A 4 14.134 -2.588 18.635 1.00 5.11 H new ATOM 0 HD3 LYS A 4 15.509 -1.771 19.351 1.00 5.11 H new ATOM 0 HE2 LYS A 4 15.339 -4.757 18.752 1.00 53.43 H new ATOM 0 HE3 LYS A 4 16.207 -3.575 17.792 1.00 53.43 H new ATOM 0 HZ1 LYS A 4 17.685 -4.768 19.258 1.00 71.31 H new ATOM 0 HZ2 LYS A 4 17.640 -3.127 19.690 1.00 71.31 H new ATOM 0 HZ3 LYS A 4 16.800 -4.272 20.620 1.00 71.31 H new ATOM 79 N LEU A 5 12.141 -5.107 19.479 1.00 52.01 N ATOM 80 CA LEU A 5 12.062 -5.959 18.255 1.00 1.10 C ATOM 81 C LEU A 5 10.630 -5.960 17.701 1.00 62.53 C ATOM 82 O LEU A 5 10.421 -5.782 16.494 1.00 60.23 O ATOM 83 CB LEU A 5 12.479 -7.430 18.548 1.00 44.30 C ATOM 84 CG LEU A 5 12.400 -8.419 17.326 1.00 25.44 C ATOM 85 CD1 LEU A 5 13.483 -8.105 16.280 1.00 31.11 C ATOM 86 CD2 LEU A 5 12.444 -9.900 17.766 1.00 73.42 C ATOM 0 H LEU A 5 12.544 -5.584 20.285 1.00 52.01 H new ATOM 0 HA LEU A 5 12.752 -5.536 17.525 1.00 1.10 H new ATOM 0 HB2 LEU A 5 13.501 -7.430 18.926 1.00 44.30 H new ATOM 0 HB3 LEU A 5 11.844 -7.816 19.346 1.00 44.30 H new ATOM 0 HG LEU A 5 11.430 -8.263 16.854 1.00 25.44 H new ATOM 0 HD11 LEU A 5 13.401 -8.806 15.449 1.00 31.11 H new ATOM 0 HD12 LEU A 5 13.349 -7.088 15.911 1.00 31.11 H new ATOM 0 HD13 LEU A 5 14.468 -8.198 16.737 1.00 31.11 H new ATOM 0 HD21 LEU A 5 12.387 -10.542 16.887 1.00 73.42 H new ATOM 0 HD22 LEU A 5 13.376 -10.094 18.297 1.00 73.42 H new ATOM 0 HD23 LEU A 5 11.601 -10.109 18.424 1.00 73.42 H new ATOM 98 N TYR A 6 9.669 -6.128 18.633 1.00 52.34 N ATOM 99 CA TYR A 6 8.233 -6.057 18.348 1.00 61.34 C ATOM 100 C TYR A 6 7.905 -4.726 17.663 1.00 34.23 C ATOM 101 O TYR A 6 7.349 -4.706 16.573 1.00 52.11 O ATOM 102 CB TYR A 6 7.426 -6.224 19.666 1.00 24.45 C ATOM 103 CG TYR A 6 5.946 -6.599 19.470 1.00 54.34 C ATOM 104 CD1 TYR A 6 4.970 -5.633 19.200 1.00 60.04 C ATOM 105 CD2 TYR A 6 5.529 -7.931 19.556 1.00 4.03 C ATOM 106 CE1 TYR A 6 3.644 -5.985 19.024 1.00 14.54 C ATOM 107 CE2 TYR A 6 4.206 -8.286 19.380 1.00 15.34 C ATOM 108 CZ TYR A 6 3.265 -7.311 19.116 1.00 43.00 C ATOM 109 OH TYR A 6 1.936 -7.662 18.942 1.00 2.13 O ATOM 0 H TYR A 6 9.877 -6.319 19.613 1.00 52.34 H new ATOM 0 HA TYR A 6 7.953 -6.866 17.673 1.00 61.34 H new ATOM 0 HB2 TYR A 6 7.904 -6.992 20.274 1.00 24.45 H new ATOM 0 HB3 TYR A 6 7.479 -5.292 20.229 1.00 24.45 H new ATOM 0 HD1 TYR A 6 5.257 -4.594 19.128 1.00 60.04 H new ATOM 0 HD2 TYR A 6 6.258 -8.700 19.765 1.00 4.03 H new ATOM 0 HE1 TYR A 6 2.906 -5.225 18.815 1.00 14.54 H new ATOM 0 HE2 TYR A 6 3.909 -9.322 19.449 1.00 15.34 H new ATOM 0 HH TYR A 6 1.839 -8.633 19.037 1.00 2.13 H new ATOM 119 N GLU A 7 8.355 -3.643 18.305 1.00 24.25 N ATOM 120 CA GLU A 7 8.124 -2.259 17.869 1.00 62.31 C ATOM 121 C GLU A 7 8.746 -1.938 16.494 1.00 64.31 C ATOM 122 O GLU A 7 8.179 -1.151 15.746 1.00 1.32 O ATOM 123 CB GLU A 7 8.684 -1.312 18.949 1.00 35.34 C ATOM 124 CG GLU A 7 7.955 -1.433 20.301 1.00 30.45 C ATOM 125 CD GLU A 7 8.458 -0.446 21.357 1.00 40.22 C ATOM 126 OE1 GLU A 7 7.866 0.644 21.496 1.00 14.11 O ATOM 127 OE2 GLU A 7 9.457 -0.747 22.042 1.00 24.30 O ATOM 0 H GLU A 7 8.903 -3.704 19.163 1.00 24.25 H new ATOM 0 HA GLU A 7 7.050 -2.120 17.746 1.00 62.31 H new ATOM 0 HB2 GLU A 7 9.743 -1.524 19.095 1.00 35.34 H new ATOM 0 HB3 GLU A 7 8.610 -0.284 18.595 1.00 35.34 H new ATOM 0 HG2 GLU A 7 6.888 -1.273 20.145 1.00 30.45 H new ATOM 0 HG3 GLU A 7 8.073 -2.449 20.679 1.00 30.45 H new ATOM 134 N GLN A 8 9.908 -2.545 16.181 1.00 63.43 N ATOM 135 CA GLN A 8 10.644 -2.273 14.919 1.00 2.14 C ATOM 136 C GLN A 8 9.853 -2.781 13.713 1.00 14.03 C ATOM 137 O GLN A 8 9.546 -2.004 12.797 1.00 55.43 O ATOM 138 CB GLN A 8 12.072 -2.898 14.919 1.00 34.21 C ATOM 139 CG GLN A 8 12.966 -2.477 16.100 1.00 11.32 C ATOM 140 CD GLN A 8 12.863 -0.985 16.451 1.00 2.40 C ATOM 141 OE1 GLN A 8 13.606 -0.154 15.931 1.00 70.41 O ATOM 142 NE2 GLN A 8 11.922 -0.643 17.333 1.00 70.23 N ATOM 0 H GLN A 8 10.363 -3.230 16.784 1.00 63.43 H new ATOM 0 HA GLN A 8 10.758 -1.191 14.848 1.00 2.14 H new ATOM 0 HB2 GLN A 8 11.977 -3.984 14.924 1.00 34.21 H new ATOM 0 HB3 GLN A 8 12.572 -2.626 13.989 1.00 34.21 H new ATOM 0 HG2 GLN A 8 12.697 -3.067 16.976 1.00 11.32 H new ATOM 0 HG3 GLN A 8 14.003 -2.715 15.862 1.00 11.32 H new ATOM 0 HE21 GLN A 8 11.324 -1.360 17.744 1.00 70.23 H new ATOM 0 HE22 GLN A 8 11.801 0.335 17.596 1.00 70.23 H new ATOM 151 N ILE A 9 9.529 -4.098 13.727 1.00 73.23 N ATOM 152 CA ILE A 9 8.718 -4.717 12.665 1.00 33.44 C ATOM 153 C ILE A 9 7.322 -4.052 12.582 1.00 53.22 C ATOM 154 O ILE A 9 6.855 -3.739 11.503 1.00 21.02 O ATOM 155 CB ILE A 9 8.495 -6.263 12.863 1.00 21.24 C ATOM 156 CG1 ILE A 9 9.697 -6.973 13.553 1.00 31.41 C ATOM 157 CG2 ILE A 9 8.185 -6.935 11.495 1.00 24.22 C ATOM 158 CD1 ILE A 9 9.369 -8.378 14.007 1.00 21.34 C ATOM 0 H ILE A 9 9.819 -4.744 14.461 1.00 73.23 H new ATOM 0 HA ILE A 9 9.287 -4.564 11.748 1.00 33.44 H new ATOM 0 HB ILE A 9 7.643 -6.375 13.534 1.00 21.24 H new ATOM 0 HG12 ILE A 9 10.538 -7.007 12.861 1.00 31.41 H new ATOM 0 HG13 ILE A 9 10.016 -6.384 14.413 1.00 31.41 H new ATOM 0 HG21 ILE A 9 8.032 -8.004 11.641 1.00 24.22 H new ATOM 0 HG22 ILE A 9 7.283 -6.494 11.069 1.00 24.22 H new ATOM 0 HG23 ILE A 9 9.022 -6.778 10.814 1.00 24.22 H new ATOM 0 HD11 ILE A 9 10.245 -8.821 14.480 1.00 21.34 H new ATOM 0 HD12 ILE A 9 8.547 -8.347 14.722 1.00 21.34 H new ATOM 0 HD13 ILE A 9 9.078 -8.980 13.146 1.00 21.34 H new ATOM 170 N LEU A 10 6.689 -3.867 13.769 1.00 15.43 N ATOM 171 CA LEU A 10 5.289 -3.369 13.912 1.00 1.42 C ATOM 172 C LEU A 10 5.161 -1.896 13.452 1.00 32.52 C ATOM 173 O LEU A 10 4.121 -1.518 12.931 1.00 3.33 O ATOM 174 CB LEU A 10 4.780 -3.572 15.390 1.00 1.11 C ATOM 175 CG LEU A 10 3.227 -3.753 15.644 1.00 45.41 C ATOM 176 CD1 LEU A 10 2.413 -2.461 15.411 1.00 31.01 C ATOM 177 CD2 LEU A 10 2.652 -4.929 14.815 1.00 31.43 C ATOM 0 H LEU A 10 7.137 -4.060 14.665 1.00 15.43 H new ATOM 0 HA LEU A 10 4.648 -3.958 13.256 1.00 1.42 H new ATOM 0 HB2 LEU A 10 5.285 -4.449 15.796 1.00 1.11 H new ATOM 0 HB3 LEU A 10 5.112 -2.714 15.974 1.00 1.11 H new ATOM 0 HG LEU A 10 3.124 -3.993 16.702 1.00 45.41 H new ATOM 0 HD11 LEU A 10 1.358 -2.656 15.603 1.00 31.01 H new ATOM 0 HD12 LEU A 10 2.766 -1.682 16.086 1.00 31.01 H new ATOM 0 HD13 LEU A 10 2.540 -2.132 14.380 1.00 31.01 H new ATOM 0 HD21 LEU A 10 1.584 -5.026 15.013 1.00 31.43 H new ATOM 0 HD22 LEU A 10 2.809 -4.737 13.754 1.00 31.43 H new ATOM 0 HD23 LEU A 10 3.158 -5.853 15.095 1.00 31.43 H new ATOM 189 N ALA A 11 6.222 -1.084 13.623 1.00 22.44 N ATOM 190 CA ALA A 11 6.226 0.324 13.158 1.00 5.30 C ATOM 191 C ALA A 11 6.293 0.364 11.623 1.00 45.30 C ATOM 192 O ALA A 11 5.633 1.193 10.986 1.00 71.25 O ATOM 193 CB ALA A 11 7.399 1.106 13.769 1.00 61.31 C ATOM 0 H ALA A 11 7.087 -1.374 14.078 1.00 22.44 H new ATOM 0 HA ALA A 11 5.303 0.800 13.488 1.00 5.30 H new ATOM 0 HB1 ALA A 11 7.376 2.135 13.410 1.00 61.31 H new ATOM 0 HB2 ALA A 11 7.314 1.099 14.856 1.00 61.31 H new ATOM 0 HB3 ALA A 11 8.339 0.640 13.475 1.00 61.31 H new ATOM 199 N GLU A 12 7.100 -0.556 11.047 1.00 14.51 N ATOM 200 CA GLU A 12 7.208 -0.738 9.589 1.00 23.20 C ATOM 201 C GLU A 12 5.932 -1.411 9.029 1.00 5.04 C ATOM 202 O GLU A 12 5.545 -1.149 7.900 1.00 53.24 O ATOM 203 CB GLU A 12 8.472 -1.577 9.232 1.00 52.32 C ATOM 204 CG GLU A 12 8.778 -1.706 7.707 1.00 11.42 C ATOM 205 CD GLU A 12 9.258 -0.415 6.993 1.00 22.12 C ATOM 206 OE1 GLU A 12 9.593 -0.489 5.805 1.00 51.31 O ATOM 207 OE2 GLU A 12 9.302 0.677 7.597 1.00 52.10 O ATOM 0 H GLU A 12 7.692 -1.190 11.583 1.00 14.51 H new ATOM 0 HA GLU A 12 7.308 0.245 9.128 1.00 23.20 H new ATOM 0 HB2 GLU A 12 9.336 -1.129 9.722 1.00 52.32 H new ATOM 0 HB3 GLU A 12 8.353 -2.578 9.648 1.00 52.32 H new ATOM 0 HG2 GLU A 12 9.540 -2.474 7.574 1.00 11.42 H new ATOM 0 HG3 GLU A 12 7.877 -2.060 7.206 1.00 11.42 H new ATOM 214 N ASN A 13 5.277 -2.241 9.863 1.00 23.32 N ATOM 215 CA ASN A 13 4.063 -3.008 9.500 1.00 41.25 C ATOM 216 C ASN A 13 2.846 -2.058 9.446 1.00 5.35 C ATOM 217 O ASN A 13 2.005 -2.142 8.546 1.00 55.10 O ATOM 218 CB ASN A 13 3.852 -4.137 10.547 1.00 73.13 C ATOM 219 CG ASN A 13 2.754 -5.126 10.172 1.00 11.21 C ATOM 220 OD1 ASN A 13 3.118 -6.175 9.456 1.00 65.52 O flip ATOM 221 ND2 ASN A 13 1.592 -4.956 10.526 1.00 3.42 N flip ATOM 0 H ASN A 13 5.579 -2.402 10.824 1.00 23.32 H new ATOM 0 HA ASN A 13 4.179 -3.461 8.515 1.00 41.25 H new ATOM 0 HB2 ASN A 13 4.788 -4.680 10.676 1.00 73.13 H new ATOM 0 HB3 ASN A 13 3.609 -3.687 11.509 1.00 73.13 H new ATOM 0 HD21 ASN A 13 1.342 -4.136 11.078 1.00 3.42 H new ATOM 0 HD22 ASN A 13 0.876 -5.635 10.268 1.00 3.42 H new ATOM 228 N GLU A 14 2.809 -1.136 10.428 1.00 11.32 N ATOM 229 CA GLU A 14 1.855 -0.015 10.494 1.00 42.35 C ATOM 230 C GLU A 14 2.059 0.899 9.286 1.00 1.43 C ATOM 231 O GLU A 14 1.090 1.311 8.637 1.00 34.33 O ATOM 232 CB GLU A 14 2.038 0.777 11.840 1.00 3.53 C ATOM 233 CG GLU A 14 1.796 2.300 11.741 1.00 31.14 C ATOM 234 CD GLU A 14 1.699 3.000 13.103 1.00 54.43 C ATOM 235 OE1 GLU A 14 0.578 3.332 13.544 1.00 3.34 O ATOM 236 OE2 GLU A 14 2.744 3.215 13.749 1.00 41.32 O ATOM 0 H GLU A 14 3.458 -1.152 11.215 1.00 11.32 H new ATOM 0 HA GLU A 14 0.836 -0.402 10.470 1.00 42.35 H new ATOM 0 HB2 GLU A 14 1.356 0.364 12.583 1.00 3.53 H new ATOM 0 HB3 GLU A 14 3.050 0.609 12.208 1.00 3.53 H new ATOM 0 HG2 GLU A 14 2.606 2.751 11.168 1.00 31.14 H new ATOM 0 HG3 GLU A 14 0.875 2.477 11.185 1.00 31.14 H new ATOM 243 N LYS A 15 3.341 1.214 9.018 1.00 63.41 N ATOM 244 CA LYS A 15 3.741 2.051 7.887 1.00 50.11 C ATOM 245 C LYS A 15 3.218 1.449 6.568 1.00 11.41 C ATOM 246 O LYS A 15 2.636 2.162 5.765 1.00 62.33 O ATOM 247 CB LYS A 15 5.284 2.186 7.803 1.00 55.34 C ATOM 248 CG LYS A 15 5.767 3.268 6.793 1.00 70.21 C ATOM 249 CD LYS A 15 7.048 2.889 6.014 1.00 11.34 C ATOM 250 CE LYS A 15 6.831 1.701 5.063 1.00 2.31 C ATOM 251 NZ LYS A 15 8.039 1.421 4.232 1.00 72.53 N ATOM 0 H LYS A 15 4.125 0.891 9.585 1.00 63.41 H new ATOM 0 HA LYS A 15 3.310 3.040 8.041 1.00 50.11 H new ATOM 0 HB2 LYS A 15 5.672 2.427 8.792 1.00 55.34 H new ATOM 0 HB3 LYS A 15 5.709 1.223 7.520 1.00 55.34 H new ATOM 0 HG2 LYS A 15 4.967 3.464 6.079 1.00 70.21 H new ATOM 0 HG3 LYS A 15 5.947 4.197 7.333 1.00 70.21 H new ATOM 0 HD2 LYS A 15 7.389 3.751 5.441 1.00 11.34 H new ATOM 0 HD3 LYS A 15 7.840 2.643 6.722 1.00 11.34 H new ATOM 0 HE2 LYS A 15 6.577 0.814 5.643 1.00 2.31 H new ATOM 0 HE3 LYS A 15 5.983 1.909 4.411 1.00 2.31 H new ATOM 0 HZ1 LYS A 15 7.746 1.019 3.319 1.00 72.53 H new ATOM 0 HZ2 LYS A 15 8.561 2.306 4.070 1.00 72.53 H new ATOM 0 HZ3 LYS A 15 8.652 0.743 4.728 1.00 72.53 H new ATOM 265 N LEU A 16 3.403 0.117 6.407 1.00 71.54 N ATOM 266 CA LEU A 16 2.984 -0.627 5.198 1.00 50.25 C ATOM 267 C LEU A 16 1.450 -0.667 5.060 1.00 2.10 C ATOM 268 O LEU A 16 0.921 -0.689 3.945 1.00 0.11 O ATOM 269 CB LEU A 16 3.572 -2.062 5.188 1.00 72.01 C ATOM 270 CG LEU A 16 5.118 -2.167 5.017 1.00 22.51 C ATOM 271 CD1 LEU A 16 5.586 -3.630 5.087 1.00 13.21 C ATOM 272 CD2 LEU A 16 5.593 -1.497 3.717 1.00 23.34 C ATOM 0 H LEU A 16 3.847 -0.471 7.113 1.00 71.54 H new ATOM 0 HA LEU A 16 3.382 -0.091 4.337 1.00 50.25 H new ATOM 0 HB2 LEU A 16 3.296 -2.553 6.121 1.00 72.01 H new ATOM 0 HB3 LEU A 16 3.099 -2.621 4.381 1.00 72.01 H new ATOM 0 HG LEU A 16 5.573 -1.627 5.847 1.00 22.51 H new ATOM 0 HD11 LEU A 16 6.668 -3.672 4.965 1.00 13.21 H new ATOM 0 HD12 LEU A 16 5.313 -4.053 6.054 1.00 13.21 H new ATOM 0 HD13 LEU A 16 5.108 -4.203 4.292 1.00 13.21 H new ATOM 0 HD21 LEU A 16 6.676 -1.591 3.634 1.00 23.34 H new ATOM 0 HD22 LEU A 16 5.120 -1.983 2.863 1.00 23.34 H new ATOM 0 HD23 LEU A 16 5.321 -0.442 3.731 1.00 23.34 H new ATOM 284 N LYS A 17 0.755 -0.658 6.202 1.00 74.41 N ATOM 285 CA LYS A 17 -0.715 -0.572 6.257 1.00 24.22 C ATOM 286 C LYS A 17 -1.171 0.844 5.815 1.00 52.11 C ATOM 287 O LYS A 17 -2.194 1.002 5.127 1.00 21.24 O ATOM 288 CB LYS A 17 -1.181 -0.960 7.697 1.00 40.43 C ATOM 289 CG LYS A 17 -2.712 -0.914 7.991 1.00 52.44 C ATOM 290 CD LYS A 17 -3.232 0.487 8.419 1.00 4.40 C ATOM 291 CE LYS A 17 -2.440 1.084 9.599 1.00 73.13 C ATOM 292 NZ LYS A 17 -3.089 2.309 10.137 1.00 11.53 N ATOM 0 H LYS A 17 1.195 -0.710 7.121 1.00 74.41 H new ATOM 0 HA LYS A 17 -1.183 -1.272 5.565 1.00 24.22 H new ATOM 0 HB2 LYS A 17 -0.828 -1.970 7.905 1.00 40.43 H new ATOM 0 HB3 LYS A 17 -0.682 -0.296 8.403 1.00 40.43 H new ATOM 0 HG2 LYS A 17 -3.252 -1.234 7.100 1.00 52.44 H new ATOM 0 HG3 LYS A 17 -2.942 -1.632 8.778 1.00 52.44 H new ATOM 0 HD2 LYS A 17 -3.175 1.166 7.568 1.00 4.40 H new ATOM 0 HD3 LYS A 17 -4.284 0.410 8.695 1.00 4.40 H new ATOM 0 HE2 LYS A 17 -2.353 0.341 10.392 1.00 73.13 H new ATOM 0 HE3 LYS A 17 -1.427 1.322 9.273 1.00 73.13 H new ATOM 0 HZ1 LYS A 17 -2.527 2.681 10.929 1.00 11.53 H new ATOM 0 HZ2 LYS A 17 -3.149 3.028 9.388 1.00 11.53 H new ATOM 0 HZ3 LYS A 17 -4.046 2.077 10.471 1.00 11.53 H new ATOM 306 N ALA A 18 -0.364 1.857 6.166 1.00 73.50 N ATOM 307 CA ALA A 18 -0.680 3.271 5.908 1.00 42.33 C ATOM 308 C ALA A 18 -0.509 3.592 4.415 1.00 42.43 C ATOM 309 O ALA A 18 -1.439 4.075 3.770 1.00 31.13 O ATOM 310 CB ALA A 18 0.217 4.168 6.772 1.00 52.12 C ATOM 0 H ALA A 18 0.529 1.718 6.638 1.00 73.50 H new ATOM 0 HA ALA A 18 -1.719 3.462 6.174 1.00 42.33 H new ATOM 0 HB1 ALA A 18 -0.020 5.214 6.578 1.00 52.12 H new ATOM 0 HB2 ALA A 18 0.046 3.946 7.826 1.00 52.12 H new ATOM 0 HB3 ALA A 18 1.263 3.981 6.527 1.00 52.12 H new ATOM 316 N GLN A 19 0.683 3.278 3.882 1.00 41.22 N ATOM 317 CA GLN A 19 1.045 3.540 2.480 1.00 64.34 C ATOM 318 C GLN A 19 0.229 2.682 1.501 1.00 22.53 C ATOM 319 O GLN A 19 0.043 3.087 0.353 1.00 75.32 O ATOM 320 CB GLN A 19 2.566 3.325 2.288 1.00 33.23 C ATOM 321 CG GLN A 19 3.100 1.959 2.784 1.00 35.22 C ATOM 322 CD GLN A 19 3.311 0.894 1.711 1.00 13.10 C ATOM 323 OE1 GLN A 19 4.353 0.849 1.062 1.00 63.24 O ATOM 324 NE2 GLN A 19 2.356 -0.020 1.582 1.00 72.10 N ATOM 0 H GLN A 19 1.428 2.832 4.417 1.00 41.22 H new ATOM 0 HA GLN A 19 0.801 4.578 2.253 1.00 64.34 H new ATOM 0 HB2 GLN A 19 2.802 3.428 1.229 1.00 33.23 H new ATOM 0 HB3 GLN A 19 3.099 4.119 2.811 1.00 33.23 H new ATOM 0 HG2 GLN A 19 4.049 2.126 3.294 1.00 35.22 H new ATOM 0 HG3 GLN A 19 2.404 1.567 3.525 1.00 35.22 H new ATOM 0 HE21 GLN A 19 1.504 0.051 2.138 1.00 72.10 H new ATOM 0 HE22 GLN A 19 2.475 -0.793 0.927 1.00 72.10 H new ATOM 333 N LEU A 20 -0.227 1.480 1.945 1.00 41.22 N ATOM 334 CA LEU A 20 -1.171 0.681 1.130 1.00 62.52 C ATOM 335 C LEU A 20 -2.493 1.441 1.023 1.00 32.05 C ATOM 336 O LEU A 20 -3.049 1.541 -0.057 1.00 24.03 O ATOM 337 CB LEU A 20 -1.369 -0.783 1.663 1.00 32.51 C ATOM 338 CG LEU A 20 -2.547 -1.132 2.675 1.00 44.20 C ATOM 339 CD1 LEU A 20 -3.915 -1.334 1.974 1.00 65.11 C ATOM 340 CD2 LEU A 20 -2.224 -2.381 3.518 1.00 2.44 C ATOM 0 H LEU A 20 0.036 1.056 2.835 1.00 41.22 H new ATOM 0 HA LEU A 20 -0.742 0.554 0.136 1.00 62.52 H new ATOM 0 HB2 LEU A 20 -1.495 -1.426 0.792 1.00 32.51 H new ATOM 0 HB3 LEU A 20 -0.436 -1.077 2.144 1.00 32.51 H new ATOM 0 HG LEU A 20 -2.628 -0.262 3.327 1.00 44.20 H new ATOM 0 HD11 LEU A 20 -4.675 -1.569 2.719 1.00 65.11 H new ATOM 0 HD12 LEU A 20 -4.193 -0.420 1.448 1.00 65.11 H new ATOM 0 HD13 LEU A 20 -3.841 -2.155 1.261 1.00 65.11 H new ATOM 0 HD21 LEU A 20 -3.052 -2.586 4.196 1.00 2.44 H new ATOM 0 HD22 LEU A 20 -2.074 -3.236 2.859 1.00 2.44 H new ATOM 0 HD23 LEU A 20 -1.317 -2.205 4.096 1.00 2.44 H new ATOM 352 N HIS A 21 -2.971 1.991 2.169 1.00 71.52 N ATOM 353 CA HIS A 21 -4.242 2.737 2.229 1.00 63.41 C ATOM 354 C HIS A 21 -4.203 3.941 1.276 1.00 43.41 C ATOM 355 O HIS A 21 -5.193 4.231 0.606 1.00 70.43 O ATOM 356 CB HIS A 21 -4.573 3.178 3.684 1.00 53.21 C ATOM 357 CG HIS A 21 -5.897 3.891 3.818 1.00 24.51 C ATOM 358 ND1 HIS A 21 -7.109 3.239 3.741 1.00 71.12 N ATOM 359 CD2 HIS A 21 -6.196 5.200 3.989 1.00 63.40 C ATOM 360 CE1 HIS A 21 -8.086 4.109 3.863 1.00 31.05 C ATOM 361 NE2 HIS A 21 -7.564 5.304 4.019 1.00 52.10 N ATOM 0 H HIS A 21 -2.488 1.928 3.065 1.00 71.52 H new ATOM 0 HA HIS A 21 -5.042 2.071 1.904 1.00 63.41 H new ATOM 0 HB2 HIS A 21 -4.578 2.299 4.328 1.00 53.21 H new ATOM 0 HB3 HIS A 21 -3.780 3.833 4.045 1.00 53.21 H new ATOM 0 HD2 HIS A 21 -5.490 6.011 4.084 1.00 63.40 H new ATOM 0 HE1 HIS A 21 -9.141 3.880 3.839 1.00 31.05 H new ATOM 0 HE2 HIS A 21 -8.090 6.169 4.142 1.00 52.10 H new ATOM 370 N ASP A 22 -3.033 4.596 1.201 1.00 71.32 N ATOM 371 CA ASP A 22 -2.797 5.700 0.260 1.00 42.01 C ATOM 372 C ASP A 22 -2.915 5.205 -1.195 1.00 54.42 C ATOM 373 O ASP A 22 -3.741 5.725 -1.948 1.00 32.31 O ATOM 374 CB ASP A 22 -1.412 6.349 0.504 1.00 2.35 C ATOM 375 CG ASP A 22 -1.306 7.075 1.858 1.00 44.42 C ATOM 376 OD1 ASP A 22 -0.510 6.662 2.728 1.00 63.13 O ATOM 377 OD2 ASP A 22 -2.023 8.074 2.057 1.00 1.43 O ATOM 0 H ASP A 22 -2.229 4.376 1.788 1.00 71.32 H new ATOM 0 HA ASP A 22 -3.561 6.459 0.430 1.00 42.01 H new ATOM 0 HB2 ASP A 22 -0.644 5.578 0.453 1.00 2.35 H new ATOM 0 HB3 ASP A 22 -1.205 7.058 -0.297 1.00 2.35 H new ATOM 382 N THR A 23 -2.133 4.151 -1.548 1.00 13.24 N ATOM 383 CA THR A 23 -2.054 3.628 -2.932 1.00 42.50 C ATOM 384 C THR A 23 -3.390 2.984 -3.389 1.00 75.32 C ATOM 385 O THR A 23 -3.703 3.003 -4.571 1.00 60.32 O ATOM 386 CB THR A 23 -0.882 2.597 -3.105 1.00 41.24 C ATOM 387 OG1 THR A 23 0.308 3.099 -2.479 1.00 45.43 O ATOM 388 CG2 THR A 23 -0.571 2.317 -4.592 1.00 4.10 C ATOM 0 H THR A 23 -1.545 3.646 -0.885 1.00 13.24 H new ATOM 0 HA THR A 23 -1.852 4.490 -3.568 1.00 42.50 H new ATOM 0 HB THR A 23 -1.202 1.667 -2.636 1.00 41.24 H new ATOM 0 HG1 THR A 23 0.220 3.029 -1.505 1.00 45.43 H new ATOM 0 HG21 THR A 23 0.246 1.599 -4.664 1.00 4.10 H new ATOM 0 HG22 THR A 23 -1.457 1.909 -5.078 1.00 4.10 H new ATOM 0 HG23 THR A 23 -0.282 3.246 -5.084 1.00 4.10 H new ATOM 396 N ASN A 24 -4.175 2.445 -2.433 1.00 51.45 N ATOM 397 CA ASN A 24 -5.462 1.765 -2.716 1.00 21.11 C ATOM 398 C ASN A 24 -6.546 2.798 -3.043 1.00 14.31 C ATOM 399 O ASN A 24 -7.253 2.670 -4.050 1.00 5.13 O ATOM 400 CB ASN A 24 -5.914 0.875 -1.515 1.00 32.14 C ATOM 401 CG ASN A 24 -5.167 -0.468 -1.363 1.00 54.22 C ATOM 402 OD1 ASN A 24 -3.872 -0.521 -1.661 1.00 23.22 O flip ATOM 403 ND2 ASN A 24 -5.758 -1.462 -0.938 1.00 30.13 N flip ATOM 0 H ASN A 24 -3.937 2.468 -1.442 1.00 51.45 H new ATOM 0 HA ASN A 24 -5.313 1.115 -3.578 1.00 21.11 H new ATOM 0 HB2 ASN A 24 -5.789 1.446 -0.595 1.00 32.14 H new ATOM 0 HB3 ASN A 24 -6.979 0.668 -1.620 1.00 32.14 H new ATOM 0 HD21 ASN A 24 -6.751 -1.407 -0.713 1.00 30.13 H new ATOM 0 HD22 ASN A 24 -5.254 -2.340 -0.811 1.00 30.13 H new ATOM 410 N MET A 25 -6.651 3.832 -2.180 1.00 4.21 N ATOM 411 CA MET A 25 -7.610 4.933 -2.357 1.00 14.43 C ATOM 412 C MET A 25 -7.320 5.717 -3.642 1.00 21.05 C ATOM 413 O MET A 25 -8.243 6.031 -4.396 1.00 32.31 O ATOM 414 CB MET A 25 -7.570 5.887 -1.137 1.00 20.13 C ATOM 415 CG MET A 25 -8.090 5.302 0.189 1.00 13.43 C ATOM 416 SD MET A 25 -9.890 5.434 0.390 1.00 51.30 S ATOM 417 CE MET A 25 -10.525 4.042 -0.550 1.00 74.21 C ATOM 0 H MET A 25 -6.073 3.923 -1.345 1.00 4.21 H new ATOM 0 HA MET A 25 -8.606 4.498 -2.437 1.00 14.43 H new ATOM 0 HB2 MET A 25 -6.541 6.214 -0.989 1.00 20.13 H new ATOM 0 HB3 MET A 25 -8.156 6.775 -1.375 1.00 20.13 H new ATOM 0 HG2 MET A 25 -7.803 4.252 0.250 1.00 13.43 H new ATOM 0 HG3 MET A 25 -7.602 5.815 1.018 1.00 13.43 H new ATOM 0 HE1 MET A 25 -11.421 3.654 -0.066 1.00 74.21 H new ATOM 0 HE2 MET A 25 -10.771 4.367 -1.561 1.00 74.21 H new ATOM 0 HE3 MET A 25 -9.769 3.258 -0.595 1.00 74.21 H new ATOM 427 N GLU A 26 -6.028 6.020 -3.880 1.00 61.04 N ATOM 428 CA GLU A 26 -5.618 6.827 -5.036 1.00 14.24 C ATOM 429 C GLU A 26 -5.671 5.996 -6.329 1.00 63.23 C ATOM 430 O GLU A 26 -5.843 6.568 -7.376 1.00 41.34 O ATOM 431 CB GLU A 26 -4.217 7.455 -4.838 1.00 14.04 C ATOM 432 CG GLU A 26 -3.047 6.475 -4.967 1.00 41.45 C ATOM 433 CD GLU A 26 -1.683 7.142 -4.800 1.00 65.10 C ATOM 434 OE1 GLU A 26 -1.236 7.812 -5.746 1.00 71.25 O ATOM 435 OE2 GLU A 26 -1.055 6.995 -3.728 1.00 74.14 O ATOM 0 H GLU A 26 -5.256 5.717 -3.286 1.00 61.04 H new ATOM 0 HA GLU A 26 -6.328 7.649 -5.125 1.00 14.24 H new ATOM 0 HB2 GLU A 26 -4.086 8.253 -5.569 1.00 14.04 H new ATOM 0 HB3 GLU A 26 -4.178 7.917 -3.851 1.00 14.04 H new ATOM 0 HG2 GLU A 26 -3.155 5.690 -4.218 1.00 41.45 H new ATOM 0 HG3 GLU A 26 -3.091 5.993 -5.943 1.00 41.45 H new ATOM 442 N LEU A 27 -5.489 4.652 -6.243 1.00 64.22 N ATOM 443 CA LEU A 27 -5.724 3.740 -7.382 1.00 0.33 C ATOM 444 C LEU A 27 -7.194 3.817 -7.829 1.00 24.45 C ATOM 445 O LEU A 27 -7.467 3.978 -9.014 1.00 53.12 O ATOM 446 CB LEU A 27 -5.369 2.282 -6.998 1.00 22.30 C ATOM 447 CG LEU A 27 -5.671 1.181 -8.066 1.00 41.12 C ATOM 448 CD1 LEU A 27 -4.863 1.400 -9.366 1.00 33.23 C ATOM 449 CD2 LEU A 27 -5.456 -0.231 -7.484 1.00 3.04 C ATOM 0 H LEU A 27 -5.180 4.181 -5.393 1.00 64.22 H new ATOM 0 HA LEU A 27 -5.082 4.050 -8.206 1.00 0.33 H new ATOM 0 HB2 LEU A 27 -4.306 2.242 -6.760 1.00 22.30 H new ATOM 0 HB3 LEU A 27 -5.910 2.029 -6.086 1.00 22.30 H new ATOM 0 HG LEU A 27 -6.723 1.267 -8.336 1.00 41.12 H new ATOM 0 HD11 LEU A 27 -5.103 0.613 -10.081 1.00 33.23 H new ATOM 0 HD12 LEU A 27 -5.119 2.369 -9.794 1.00 33.23 H new ATOM 0 HD13 LEU A 27 -3.797 1.373 -9.141 1.00 33.23 H new ATOM 0 HD21 LEU A 27 -5.673 -0.977 -8.249 1.00 3.04 H new ATOM 0 HD22 LEU A 27 -4.421 -0.336 -7.158 1.00 3.04 H new ATOM 0 HD23 LEU A 27 -6.121 -0.379 -6.633 1.00 3.04 H new ATOM 461 N THR A 28 -8.120 3.719 -6.851 1.00 13.12 N ATOM 462 CA THR A 28 -9.568 3.774 -7.106 1.00 75.11 C ATOM 463 C THR A 28 -9.967 5.159 -7.666 1.00 35.40 C ATOM 464 O THR A 28 -10.779 5.254 -8.578 1.00 23.42 O ATOM 465 CB THR A 28 -10.370 3.459 -5.801 1.00 41.05 C ATOM 466 OG1 THR A 28 -9.884 2.241 -5.207 1.00 25.44 O ATOM 467 CG2 THR A 28 -11.888 3.323 -6.059 1.00 63.34 C ATOM 0 H THR A 28 -7.881 3.600 -5.866 1.00 13.12 H new ATOM 0 HA THR A 28 -9.814 3.017 -7.850 1.00 75.11 H new ATOM 0 HB THR A 28 -10.219 4.300 -5.125 1.00 41.05 H new ATOM 0 HG1 THR A 28 -9.018 2.408 -4.780 1.00 25.44 H new ATOM 0 HG21 THR A 28 -12.398 3.104 -5.121 1.00 63.34 H new ATOM 0 HG22 THR A 28 -12.272 4.256 -6.472 1.00 63.34 H new ATOM 0 HG23 THR A 28 -12.066 2.513 -6.766 1.00 63.34 H new ATOM 475 N ASP A 29 -9.329 6.209 -7.118 1.00 44.12 N ATOM 476 CA ASP A 29 -9.510 7.612 -7.539 1.00 12.24 C ATOM 477 C ASP A 29 -8.994 7.815 -8.981 1.00 40.43 C ATOM 478 O ASP A 29 -9.678 8.404 -9.822 1.00 64.22 O ATOM 479 CB ASP A 29 -8.741 8.538 -6.553 1.00 1.45 C ATOM 480 CG ASP A 29 -8.754 10.024 -6.964 1.00 44.23 C ATOM 481 OD1 ASP A 29 -9.725 10.740 -6.631 1.00 65.31 O ATOM 482 OD2 ASP A 29 -7.778 10.490 -7.593 1.00 4.42 O ATOM 0 H ASP A 29 -8.660 6.105 -6.355 1.00 44.12 H new ATOM 0 HA ASP A 29 -10.571 7.862 -7.523 1.00 12.24 H new ATOM 0 HB2 ASP A 29 -9.179 8.441 -5.560 1.00 1.45 H new ATOM 0 HB3 ASP A 29 -7.708 8.199 -6.480 1.00 1.45 H new ATOM 487 N LEU A 30 -7.792 7.262 -9.238 1.00 64.40 N ATOM 488 CA LEU A 30 -7.040 7.448 -10.498 1.00 30.12 C ATOM 489 C LEU A 30 -7.733 6.687 -11.641 1.00 55.43 C ATOM 490 O LEU A 30 -7.760 7.162 -12.781 1.00 21.34 O ATOM 491 CB LEU A 30 -5.564 6.957 -10.323 1.00 61.11 C ATOM 492 CG LEU A 30 -4.506 7.480 -11.345 1.00 20.22 C ATOM 493 CD1 LEU A 30 -4.328 9.003 -11.241 1.00 21.12 C ATOM 494 CD2 LEU A 30 -3.154 6.750 -11.165 1.00 43.10 C ATOM 0 H LEU A 30 -7.308 6.665 -8.567 1.00 64.40 H new ATOM 0 HA LEU A 30 -7.022 8.509 -10.748 1.00 30.12 H new ATOM 0 HB2 LEU A 30 -5.233 7.236 -9.323 1.00 61.11 H new ATOM 0 HB3 LEU A 30 -5.564 5.868 -10.366 1.00 61.11 H new ATOM 0 HG LEU A 30 -4.878 7.260 -12.346 1.00 20.22 H new ATOM 0 HD11 LEU A 30 -3.584 9.333 -11.967 1.00 21.12 H new ATOM 0 HD12 LEU A 30 -5.279 9.495 -11.446 1.00 21.12 H new ATOM 0 HD13 LEU A 30 -3.995 9.263 -10.236 1.00 21.12 H new ATOM 0 HD21 LEU A 30 -2.435 7.133 -11.889 1.00 43.10 H new ATOM 0 HD22 LEU A 30 -2.780 6.921 -10.156 1.00 43.10 H new ATOM 0 HD23 LEU A 30 -3.294 5.681 -11.323 1.00 43.10 H new ATOM 506 N LYS A 31 -8.300 5.508 -11.306 1.00 64.12 N ATOM 507 CA LYS A 31 -8.968 4.619 -12.275 1.00 21.43 C ATOM 508 C LYS A 31 -10.396 5.122 -12.552 1.00 33.20 C ATOM 509 O LYS A 31 -10.933 4.923 -13.651 1.00 51.31 O ATOM 510 CB LYS A 31 -8.935 3.130 -11.771 1.00 72.40 C ATOM 511 CG LYS A 31 -10.058 2.680 -10.793 1.00 12.40 C ATOM 512 CD LYS A 31 -11.273 2.055 -11.521 1.00 64.42 C ATOM 513 CE LYS A 31 -12.463 1.795 -10.600 1.00 72.33 C ATOM 514 NZ LYS A 31 -13.645 1.338 -11.370 1.00 13.41 N ATOM 0 H LYS A 31 -8.306 5.147 -10.352 1.00 64.12 H new ATOM 0 HA LYS A 31 -8.429 4.640 -13.222 1.00 21.43 H new ATOM 0 HB2 LYS A 31 -8.968 2.478 -12.644 1.00 72.40 H new ATOM 0 HB3 LYS A 31 -7.975 2.961 -11.283 1.00 72.40 H new ATOM 0 HG2 LYS A 31 -9.651 1.955 -10.088 1.00 12.40 H new ATOM 0 HG3 LYS A 31 -10.392 3.539 -10.210 1.00 12.40 H new ATOM 0 HD2 LYS A 31 -11.585 2.719 -12.327 1.00 64.42 H new ATOM 0 HD3 LYS A 31 -10.967 1.116 -11.982 1.00 64.42 H new ATOM 0 HE2 LYS A 31 -12.195 1.042 -9.859 1.00 72.33 H new ATOM 0 HE3 LYS A 31 -12.710 2.706 -10.055 1.00 72.33 H new ATOM 0 HZ1 LYS A 31 -14.508 1.507 -10.814 1.00 13.41 H new ATOM 0 HZ2 LYS A 31 -13.701 1.865 -12.265 1.00 13.41 H new ATOM 0 HZ3 LYS A 31 -13.556 0.322 -11.572 1.00 13.41 H new ATOM 528 N LEU A 32 -10.984 5.789 -11.543 1.00 62.11 N ATOM 529 CA LEU A 32 -12.324 6.378 -11.631 1.00 15.53 C ATOM 530 C LEU A 32 -12.303 7.510 -12.652 1.00 31.00 C ATOM 531 O LEU A 32 -13.091 7.513 -13.601 1.00 54.25 O ATOM 532 CB LEU A 32 -12.770 6.863 -10.219 1.00 40.51 C ATOM 533 CG LEU A 32 -14.104 7.701 -10.106 1.00 11.30 C ATOM 534 CD1 LEU A 32 -14.897 7.344 -8.832 1.00 10.21 C ATOM 535 CD2 LEU A 32 -13.825 9.223 -10.137 1.00 34.23 C ATOM 0 H LEU A 32 -10.536 5.933 -10.638 1.00 62.11 H new ATOM 0 HA LEU A 32 -13.051 5.639 -11.967 1.00 15.53 H new ATOM 0 HB2 LEU A 32 -12.873 5.984 -9.582 1.00 40.51 H new ATOM 0 HB3 LEU A 32 -11.962 7.465 -9.803 1.00 40.51 H new ATOM 0 HG LEU A 32 -14.708 7.439 -10.975 1.00 11.30 H new ATOM 0 HD11 LEU A 32 -15.808 7.942 -8.791 1.00 10.21 H new ATOM 0 HD12 LEU A 32 -15.158 6.286 -8.850 1.00 10.21 H new ATOM 0 HD13 LEU A 32 -14.287 7.552 -7.953 1.00 10.21 H new ATOM 0 HD21 LEU A 32 -14.766 9.767 -10.057 1.00 34.23 H new ATOM 0 HD22 LEU A 32 -13.179 9.491 -9.301 1.00 34.23 H new ATOM 0 HD23 LEU A 32 -13.334 9.484 -11.074 1.00 34.23 H new ATOM 547 N GLN A 33 -11.355 8.447 -12.473 1.00 71.12 N ATOM 548 CA GLN A 33 -11.192 9.572 -13.391 1.00 11.24 C ATOM 549 C GLN A 33 -10.656 9.087 -14.761 1.00 15.45 C ATOM 550 O GLN A 33 -11.016 9.665 -15.797 1.00 73.13 O ATOM 551 CB GLN A 33 -10.281 10.667 -12.782 1.00 71.44 C ATOM 552 CG GLN A 33 -8.885 10.191 -12.364 1.00 44.30 C ATOM 553 CD GLN A 33 -7.852 11.302 -12.209 1.00 30.30 C ATOM 554 OE1 GLN A 33 -6.612 10.945 -12.447 1.00 62.22 O flip ATOM 555 NE2 GLN A 33 -8.161 12.447 -11.873 1.00 35.23 N flip ATOM 0 H GLN A 33 -10.692 8.441 -11.697 1.00 71.12 H new ATOM 0 HA GLN A 33 -12.172 10.020 -13.554 1.00 11.24 H new ATOM 0 HB2 GLN A 33 -10.171 11.472 -13.508 1.00 71.44 H new ATOM 0 HB3 GLN A 33 -10.780 11.090 -11.910 1.00 71.44 H new ATOM 0 HG2 GLN A 33 -8.967 9.655 -11.418 1.00 44.30 H new ATOM 0 HG3 GLN A 33 -8.523 9.478 -13.104 1.00 44.30 H new ATOM 0 HE21 GLN A 33 -9.138 12.681 -11.698 1.00 35.23 H new ATOM 0 HE22 GLN A 33 -7.439 13.161 -11.770 1.00 35.23 H new ATOM 564 N LEU A 34 -9.813 8.008 -14.740 1.00 31.42 N ATOM 565 CA LEU A 34 -9.273 7.359 -15.968 1.00 4.25 C ATOM 566 C LEU A 34 -10.380 7.153 -16.987 1.00 72.41 C ATOM 567 O LEU A 34 -10.368 7.818 -18.034 1.00 53.23 O ATOM 568 CB LEU A 34 -8.590 5.986 -15.636 1.00 50.03 C ATOM 569 CG LEU A 34 -8.299 5.004 -16.829 1.00 20.32 C ATOM 570 CD1 LEU A 34 -7.370 5.627 -17.876 1.00 13.14 C ATOM 571 CD2 LEU A 34 -7.726 3.661 -16.330 1.00 41.21 C ATOM 0 H LEU A 34 -9.494 7.571 -13.876 1.00 31.42 H new ATOM 0 HA LEU A 34 -8.517 8.022 -16.388 1.00 4.25 H new ATOM 0 HB2 LEU A 34 -7.644 6.195 -15.136 1.00 50.03 H new ATOM 0 HB3 LEU A 34 -9.222 5.463 -14.918 1.00 50.03 H new ATOM 0 HG LEU A 34 -9.257 4.810 -17.311 1.00 20.32 H new ATOM 0 HD11 LEU A 34 -7.197 4.912 -18.681 1.00 13.14 H new ATOM 0 HD12 LEU A 34 -7.832 6.527 -18.283 1.00 13.14 H new ATOM 0 HD13 LEU A 34 -6.419 5.886 -17.411 1.00 13.14 H new ATOM 0 HD21 LEU A 34 -7.537 3.007 -17.181 1.00 41.21 H new ATOM 0 HD22 LEU A 34 -6.793 3.840 -15.796 1.00 41.21 H new ATOM 0 HD23 LEU A 34 -8.443 3.186 -15.660 1.00 41.21 H new ATOM 583 N GLU A 35 -11.362 6.310 -16.575 1.00 20.11 N ATOM 584 CA GLU A 35 -12.472 5.844 -17.417 1.00 74.34 C ATOM 585 C GLU A 35 -13.494 6.968 -17.697 1.00 25.23 C ATOM 586 O GLU A 35 -14.132 6.966 -18.754 1.00 64.35 O ATOM 587 CB GLU A 35 -13.147 4.605 -16.760 1.00 61.23 C ATOM 588 CG GLU A 35 -13.766 4.870 -15.376 1.00 2.13 C ATOM 589 CD GLU A 35 -14.245 3.599 -14.662 1.00 25.13 C ATOM 590 OE1 GLU A 35 -13.465 2.996 -13.896 1.00 13.25 O ATOM 591 OE2 GLU A 35 -15.407 3.187 -14.864 1.00 43.53 O ATOM 0 H GLU A 35 -11.396 5.933 -15.628 1.00 20.11 H new ATOM 0 HA GLU A 35 -12.068 5.548 -18.385 1.00 74.34 H new ATOM 0 HB2 GLU A 35 -13.926 4.236 -17.427 1.00 61.23 H new ATOM 0 HB3 GLU A 35 -12.406 3.811 -16.666 1.00 61.23 H new ATOM 0 HG2 GLU A 35 -13.030 5.373 -14.749 1.00 2.13 H new ATOM 0 HG3 GLU A 35 -14.608 5.552 -15.489 1.00 2.13 H new ATOM 598 N LYS A 36 -13.621 7.942 -16.759 1.00 72.22 N ATOM 599 CA LYS A 36 -14.353 9.214 -17.009 1.00 20.53 C ATOM 600 C LYS A 36 -13.651 10.054 -18.107 1.00 70.33 C ATOM 601 O LYS A 36 -14.211 11.044 -18.588 1.00 42.42 O ATOM 602 CB LYS A 36 -14.466 10.045 -15.696 1.00 4.01 C ATOM 603 CG LYS A 36 -15.380 9.416 -14.613 1.00 44.11 C ATOM 604 CD LYS A 36 -15.373 10.194 -13.275 1.00 15.23 C ATOM 605 CE LYS A 36 -15.932 11.627 -13.390 1.00 12.24 C ATOM 606 NZ LYS A 36 -17.399 11.657 -13.658 1.00 42.15 N ATOM 0 H LYS A 36 -13.226 7.872 -15.821 1.00 72.22 H new ATOM 0 HA LYS A 36 -15.355 8.960 -17.356 1.00 20.53 H new ATOM 0 HB2 LYS A 36 -13.468 10.178 -15.278 1.00 4.01 H new ATOM 0 HB3 LYS A 36 -14.844 11.038 -15.941 1.00 4.01 H new ATOM 0 HG2 LYS A 36 -16.401 9.369 -14.992 1.00 44.11 H new ATOM 0 HG3 LYS A 36 -15.061 8.390 -14.430 1.00 44.11 H new ATOM 0 HD2 LYS A 36 -15.960 9.642 -12.541 1.00 15.23 H new ATOM 0 HD3 LYS A 36 -14.352 10.241 -12.897 1.00 15.23 H new ATOM 0 HE2 LYS A 36 -15.725 12.168 -12.466 1.00 12.24 H new ATOM 0 HE3 LYS A 36 -15.411 12.152 -14.190 1.00 12.24 H new ATOM 0 HZ1 LYS A 36 -17.719 12.644 -13.725 1.00 42.15 H new ATOM 0 HZ2 LYS A 36 -17.599 11.166 -14.553 1.00 42.15 H new ATOM 0 HZ3 LYS A 36 -17.903 11.182 -12.883 1.00 42.15 H new ATOM 620 N ALA A 37 -12.401 9.645 -18.437 1.00 45.33 N ATOM 621 CA ALA A 37 -11.571 10.185 -19.532 1.00 65.45 C ATOM 622 C ALA A 37 -10.890 11.445 -19.052 1.00 41.41 C ATOM 623 O ALA A 37 -11.138 12.554 -19.543 1.00 72.04 O ATOM 624 CB ALA A 37 -12.330 10.361 -20.866 1.00 50.13 C ATOM 0 H ALA A 37 -11.929 8.900 -17.925 1.00 45.33 H new ATOM 0 HA ALA A 37 -10.808 9.448 -19.780 1.00 65.45 H new ATOM 0 HB1 ALA A 37 -11.652 10.762 -21.620 1.00 50.13 H new ATOM 0 HB2 ALA A 37 -12.712 9.395 -21.198 1.00 50.13 H new ATOM 0 HB3 ALA A 37 -13.162 11.050 -20.723 1.00 50.13 H new ATOM 630 N THR A 38 -10.059 11.247 -18.021 1.00 1.02 N ATOM 631 CA THR A 38 -9.406 12.367 -17.299 1.00 23.42 C ATOM 632 C THR A 38 -8.359 13.114 -18.164 1.00 54.52 C ATOM 633 O THR A 38 -8.140 12.796 -19.342 1.00 44.34 O ATOM 634 CB THR A 38 -8.734 11.865 -15.979 1.00 31.32 C ATOM 635 OG1 THR A 38 -8.320 12.975 -15.160 1.00 44.14 O ATOM 636 CG2 THR A 38 -7.537 10.958 -16.258 1.00 20.34 C ATOM 0 H THR A 38 -9.817 10.324 -17.661 1.00 1.02 H new ATOM 0 HA THR A 38 -10.199 13.075 -17.060 1.00 23.42 H new ATOM 0 HB THR A 38 -9.484 11.283 -15.443 1.00 31.32 H new ATOM 0 HG1 THR A 38 -7.399 12.832 -14.856 1.00 44.14 H new ATOM 0 HG21 THR A 38 -7.100 10.632 -15.314 1.00 20.34 H new ATOM 0 HG22 THR A 38 -7.865 10.087 -16.826 1.00 20.34 H new ATOM 0 HG23 THR A 38 -6.791 11.507 -16.833 1.00 20.34 H new ATOM 644 N GLN A 39 -7.738 14.132 -17.554 1.00 2.33 N ATOM 645 CA GLN A 39 -6.634 14.888 -18.141 1.00 12.23 C ATOM 646 C GLN A 39 -5.380 14.751 -17.254 1.00 11.45 C ATOM 647 O GLN A 39 -4.326 14.291 -17.714 1.00 52.00 O ATOM 648 CB GLN A 39 -7.044 16.373 -18.348 1.00 10.43 C ATOM 649 CG GLN A 39 -7.845 16.997 -17.185 1.00 44.33 C ATOM 650 CD GLN A 39 -8.048 18.501 -17.309 1.00 0.32 C ATOM 651 OE1 GLN A 39 -7.035 19.192 -17.787 1.00 22.10 O flip ATOM 652 NE2 GLN A 39 -9.077 19.044 -16.905 1.00 53.34 N flip ATOM 0 H GLN A 39 -7.997 14.456 -16.622 1.00 2.33 H new ATOM 0 HA GLN A 39 -6.394 14.482 -19.123 1.00 12.23 H new ATOM 0 HB2 GLN A 39 -6.142 16.964 -18.507 1.00 10.43 H new ATOM 0 HB3 GLN A 39 -7.638 16.447 -19.259 1.00 10.43 H new ATOM 0 HG2 GLN A 39 -8.820 16.513 -17.128 1.00 44.33 H new ATOM 0 HG3 GLN A 39 -7.329 16.786 -16.248 1.00 44.33 H new ATOM 0 HE21 GLN A 39 -9.843 18.478 -16.541 1.00 53.34 H new ATOM 0 HE22 GLN A 39 -9.163 20.060 -16.935 1.00 53.34 H new ATOM 661 N ARG A 40 -5.507 15.144 -15.977 1.00 44.10 N ATOM 662 CA ARG A 40 -4.410 15.083 -14.992 1.00 15.42 C ATOM 663 C ARG A 40 -4.809 14.212 -13.782 1.00 14.14 C ATOM 664 O ARG A 40 -5.772 13.443 -13.821 1.00 43.14 O ATOM 665 CB ARG A 40 -4.032 16.533 -14.520 1.00 3.31 C ATOM 666 CG ARG A 40 -5.043 17.204 -13.553 1.00 23.03 C ATOM 667 CD ARG A 40 -4.565 18.559 -12.991 1.00 15.41 C ATOM 668 NE ARG A 40 -5.454 19.051 -11.908 1.00 60.21 N ATOM 669 CZ ARG A 40 -5.409 20.272 -11.354 1.00 72.03 C ATOM 670 NH1 ARG A 40 -4.527 21.188 -11.751 1.00 75.31 N ATOM 671 NH2 ARG A 40 -6.272 20.577 -10.389 1.00 43.34 N ATOM 0 H ARG A 40 -6.377 15.515 -15.595 1.00 44.10 H new ATOM 0 HA ARG A 40 -3.542 14.627 -15.467 1.00 15.42 H new ATOM 0 HB2 ARG A 40 -3.058 16.495 -14.031 1.00 3.31 H new ATOM 0 HB3 ARG A 40 -3.922 17.166 -15.400 1.00 3.31 H new ATOM 0 HG2 ARG A 40 -5.988 17.352 -14.076 1.00 23.03 H new ATOM 0 HG3 ARG A 40 -5.241 16.527 -12.722 1.00 23.03 H new ATOM 0 HD2 ARG A 40 -3.549 18.456 -12.609 1.00 15.41 H new ATOM 0 HD3 ARG A 40 -4.530 19.294 -13.795 1.00 15.41 H new ATOM 0 HE ARG A 40 -6.160 18.405 -11.555 1.00 60.21 H new ATOM 0 HH11 ARG A 40 -3.863 20.969 -12.494 1.00 75.31 H new ATOM 0 HH12 ARG A 40 -4.515 22.109 -11.312 1.00 75.31 H new ATOM 0 HH21 ARG A 40 -6.956 19.887 -10.080 1.00 43.34 H new ATOM 0 HH22 ARG A 40 -6.250 21.501 -9.958 1.00 43.34 H new ATOM 685 N GLN A 41 -3.989 14.321 -12.743 1.00 71.55 N ATOM 686 CA GLN A 41 -4.321 13.966 -11.364 1.00 52.22 C ATOM 687 C GLN A 41 -3.768 15.085 -10.475 1.00 61.43 C ATOM 688 O GLN A 41 -2.847 15.816 -10.878 1.00 42.12 O ATOM 689 CB GLN A 41 -3.745 12.588 -10.923 1.00 11.32 C ATOM 690 CG GLN A 41 -2.210 12.431 -11.005 1.00 53.44 C ATOM 691 CD GLN A 41 -1.718 12.243 -12.440 1.00 14.30 C ATOM 692 OE1 GLN A 41 -1.628 11.124 -12.931 1.00 34.04 O ATOM 693 NE2 GLN A 41 -1.386 13.329 -13.120 1.00 21.32 N ATOM 0 H GLN A 41 -3.036 14.673 -12.840 1.00 71.55 H new ATOM 0 HA GLN A 41 -5.403 13.866 -11.274 1.00 52.22 H new ATOM 0 HB2 GLN A 41 -4.054 12.401 -9.894 1.00 11.32 H new ATOM 0 HB3 GLN A 41 -4.202 11.813 -11.539 1.00 11.32 H new ATOM 0 HG2 GLN A 41 -1.734 13.312 -10.573 1.00 53.44 H new ATOM 0 HG3 GLN A 41 -1.903 11.575 -10.404 1.00 53.44 H new ATOM 0 HE21 GLN A 41 -1.471 14.248 -12.686 1.00 21.32 H new ATOM 0 HE22 GLN A 41 -1.045 13.247 -14.078 1.00 21.32 H new ATOM 702 N GLU A 42 -4.303 15.192 -9.269 1.00 12.54 N ATOM 703 CA GLU A 42 -3.942 16.247 -8.304 1.00 21.41 C ATOM 704 C GLU A 42 -3.710 15.598 -6.941 1.00 53.32 C ATOM 705 O GLU A 42 -3.974 16.192 -5.891 1.00 30.33 O ATOM 706 CB GLU A 42 -5.034 17.352 -8.309 1.00 55.45 C ATOM 707 CG GLU A 42 -6.481 16.849 -8.109 1.00 10.31 C ATOM 708 CD GLU A 42 -7.532 17.903 -8.487 1.00 42.43 C ATOM 709 OE1 GLU A 42 -7.732 18.133 -9.700 1.00 74.12 O ATOM 710 OE2 GLU A 42 -8.151 18.512 -7.591 1.00 44.13 O ATOM 0 H GLU A 42 -5.010 14.546 -8.918 1.00 12.54 H new ATOM 0 HA GLU A 42 -3.013 16.748 -8.578 1.00 21.41 H new ATOM 0 HB2 GLU A 42 -4.804 18.071 -7.522 1.00 55.45 H new ATOM 0 HB3 GLU A 42 -4.981 17.889 -9.256 1.00 55.45 H new ATOM 0 HG2 GLU A 42 -6.637 15.954 -8.711 1.00 10.31 H new ATOM 0 HG3 GLU A 42 -6.620 16.560 -7.067 1.00 10.31 H new ATOM 717 N ARG A 43 -3.173 14.354 -7.029 1.00 55.51 N ATOM 718 CA ARG A 43 -2.660 13.535 -5.916 1.00 44.34 C ATOM 719 C ARG A 43 -1.847 14.376 -4.905 1.00 64.11 C ATOM 720 O ARG A 43 -2.117 14.335 -3.698 1.00 1.04 O ATOM 721 CB ARG A 43 -1.784 12.392 -6.532 1.00 61.04 C ATOM 722 CG ARG A 43 -0.832 11.672 -5.552 1.00 45.11 C ATOM 723 CD ARG A 43 0.197 10.756 -6.259 1.00 23.22 C ATOM 724 NE ARG A 43 1.492 10.751 -5.555 1.00 54.53 N ATOM 725 CZ ARG A 43 2.018 9.731 -4.853 1.00 73.11 C ATOM 726 NH1 ARG A 43 1.374 8.578 -4.718 1.00 53.23 N ATOM 727 NH2 ARG A 43 3.206 9.886 -4.297 1.00 14.10 N ATOM 0 H ARG A 43 -3.085 13.877 -7.926 1.00 55.51 H new ATOM 0 HA ARG A 43 -3.496 13.116 -5.355 1.00 44.34 H new ATOM 0 HB2 ARG A 43 -2.448 11.650 -6.975 1.00 61.04 H new ATOM 0 HB3 ARG A 43 -1.190 12.813 -7.343 1.00 61.04 H new ATOM 0 HG2 ARG A 43 -0.299 12.417 -4.961 1.00 45.11 H new ATOM 0 HG3 ARG A 43 -1.422 11.075 -4.856 1.00 45.11 H new ATOM 0 HD2 ARG A 43 -0.194 9.740 -6.310 1.00 23.22 H new ATOM 0 HD3 ARG A 43 0.341 11.094 -7.285 1.00 23.22 H new ATOM 0 HE ARG A 43 2.045 11.607 -5.605 1.00 54.53 H new ATOM 0 HH11 ARG A 43 0.460 8.451 -5.152 1.00 53.23 H new ATOM 0 HH12 ARG A 43 1.794 7.819 -4.181 1.00 53.23 H new ATOM 0 HH21 ARG A 43 3.708 10.768 -4.404 1.00 14.10 H new ATOM 0 HH22 ARG A 43 3.621 9.124 -3.761 1.00 14.10 H new ATOM 741 N PHE A 44 -0.862 15.134 -5.422 1.00 10.04 N ATOM 742 CA PHE A 44 -0.068 16.079 -4.620 1.00 21.21 C ATOM 743 C PHE A 44 0.377 17.241 -5.511 1.00 64.25 C ATOM 744 O PHE A 44 0.743 17.038 -6.672 1.00 72.24 O ATOM 745 CB PHE A 44 1.158 15.370 -3.976 1.00 64.45 C ATOM 746 CG PHE A 44 1.803 16.169 -2.843 1.00 24.33 C ATOM 747 CD1 PHE A 44 1.366 16.013 -1.527 1.00 2.04 C ATOM 748 CD2 PHE A 44 2.827 17.090 -3.089 1.00 63.51 C ATOM 749 CE1 PHE A 44 1.929 16.745 -0.499 1.00 32.20 C ATOM 750 CE2 PHE A 44 3.388 17.819 -2.059 1.00 33.23 C ATOM 751 CZ PHE A 44 2.939 17.647 -0.765 1.00 71.51 C ATOM 0 H PHE A 44 -0.596 15.107 -6.406 1.00 10.04 H new ATOM 0 HA PHE A 44 -0.683 16.465 -3.807 1.00 21.21 H new ATOM 0 HB2 PHE A 44 0.845 14.399 -3.592 1.00 64.45 H new ATOM 0 HB3 PHE A 44 1.905 15.182 -4.747 1.00 64.45 H new ATOM 0 HD1 PHE A 44 0.576 15.310 -1.309 1.00 2.04 H new ATOM 0 HD2 PHE A 44 3.184 17.233 -4.098 1.00 63.51 H new ATOM 0 HE1 PHE A 44 1.578 16.611 0.514 1.00 32.20 H new ATOM 0 HE2 PHE A 44 4.179 18.525 -2.266 1.00 33.23 H new ATOM 0 HZ PHE A 44 3.378 18.218 0.039 1.00 71.51 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 10.754 -17.549 23.059 1.00 13.32 N ATOM 763 CA ASP B 101 9.345 -17.140 23.141 1.00 12.32 C ATOM 764 C ASP B 101 9.061 -15.980 22.188 1.00 2.13 C ATOM 765 O ASP B 101 7.993 -15.904 21.588 1.00 10.41 O ATOM 766 CB ASP B 101 8.951 -16.743 24.591 1.00 43.42 C ATOM 767 CG ASP B 101 8.972 -17.929 25.565 1.00 71.14 C ATOM 768 OD1 ASP B 101 9.988 -18.136 26.270 1.00 51.42 O ATOM 769 OD2 ASP B 101 7.970 -18.673 25.620 1.00 54.20 O ATOM 0 HA ASP B 101 8.740 -17.997 22.846 1.00 12.32 H new ATOM 0 HB2 ASP B 101 9.635 -15.974 24.950 1.00 43.42 H new ATOM 0 HB3 ASP B 101 7.953 -16.304 24.583 1.00 43.42 H new ATOM 774 N PHE B 102 10.031 -15.073 22.067 1.00 65.42 N ATOM 775 CA PHE B 102 9.892 -13.832 21.281 1.00 60.15 C ATOM 776 C PHE B 102 10.346 -14.014 19.816 1.00 61.35 C ATOM 777 O PHE B 102 10.086 -13.163 18.956 1.00 23.45 O ATOM 778 CB PHE B 102 10.714 -12.726 21.945 1.00 65.43 C ATOM 779 CG PHE B 102 10.304 -12.348 23.373 1.00 54.44 C ATOM 780 CD1 PHE B 102 10.886 -12.970 24.481 1.00 54.14 C ATOM 781 CD2 PHE B 102 9.365 -11.338 23.605 1.00 34.41 C ATOM 782 CE1 PHE B 102 10.543 -12.593 25.766 1.00 52.53 C ATOM 783 CE2 PHE B 102 9.022 -10.967 24.891 1.00 1.12 C ATOM 784 CZ PHE B 102 9.614 -11.593 25.969 1.00 45.24 C ATOM 0 H PHE B 102 10.943 -15.173 22.512 1.00 65.42 H new ATOM 0 HA PHE B 102 8.836 -13.563 21.260 1.00 60.15 H new ATOM 0 HB2 PHE B 102 11.759 -13.036 21.958 1.00 65.43 H new ATOM 0 HB3 PHE B 102 10.654 -11.833 21.323 1.00 65.43 H new ATOM 0 HD1 PHE B 102 11.613 -13.755 24.331 1.00 54.14 H new ATOM 0 HD2 PHE B 102 8.901 -10.840 22.766 1.00 34.41 H new ATOM 0 HE1 PHE B 102 11.003 -13.082 26.612 1.00 52.53 H new ATOM 0 HE2 PHE B 102 8.292 -10.188 25.052 1.00 1.12 H new ATOM 0 HZ PHE B 102 9.350 -11.300 26.974 1.00 45.24 H new ATOM 794 N LYS B 103 11.029 -15.127 19.531 1.00 50.31 N ATOM 795 CA LYS B 103 11.496 -15.455 18.166 1.00 14.21 C ATOM 796 C LYS B 103 10.291 -15.557 17.208 1.00 33.22 C ATOM 797 O LYS B 103 10.372 -15.196 16.031 1.00 40.15 O ATOM 798 CB LYS B 103 12.336 -16.774 18.164 1.00 2.43 C ATOM 799 CG LYS B 103 11.555 -18.121 18.220 1.00 54.21 C ATOM 800 CD LYS B 103 10.603 -18.304 19.451 1.00 41.43 C ATOM 801 CE LYS B 103 10.882 -19.585 20.248 1.00 0.41 C ATOM 802 NZ LYS B 103 12.246 -19.618 20.856 1.00 51.13 N ATOM 0 H LYS B 103 11.276 -15.827 20.230 1.00 50.31 H new ATOM 0 HA LYS B 103 12.147 -14.654 17.816 1.00 14.21 H new ATOM 0 HB2 LYS B 103 12.953 -16.779 17.265 1.00 2.43 H new ATOM 0 HB3 LYS B 103 13.015 -16.742 19.016 1.00 2.43 H new ATOM 0 HG2 LYS B 103 10.963 -18.215 17.309 1.00 54.21 H new ATOM 0 HG3 LYS B 103 12.276 -18.938 18.217 1.00 54.21 H new ATOM 0 HD2 LYS B 103 10.706 -17.443 20.112 1.00 41.43 H new ATOM 0 HD3 LYS B 103 9.570 -18.318 19.104 1.00 41.43 H new ATOM 0 HE2 LYS B 103 10.137 -19.682 21.038 1.00 0.41 H new ATOM 0 HE3 LYS B 103 10.764 -20.446 19.591 1.00 0.41 H new ATOM 0 HZ1 LYS B 103 12.313 -20.420 21.515 1.00 51.13 H new ATOM 0 HZ2 LYS B 103 12.958 -19.726 20.106 1.00 51.13 H new ATOM 0 HZ3 LYS B 103 12.418 -18.731 21.372 1.00 51.13 H new ATOM 816 N LYS B 104 9.154 -16.012 17.771 1.00 45.23 N ATOM 817 CA LYS B 104 7.921 -16.188 17.034 1.00 41.13 C ATOM 818 C LYS B 104 7.252 -14.821 16.811 1.00 74.42 C ATOM 819 O LYS B 104 6.548 -14.685 15.837 1.00 14.33 O ATOM 820 CB LYS B 104 6.979 -17.189 17.764 1.00 13.33 C ATOM 821 CG LYS B 104 6.248 -16.631 19.015 1.00 44.22 C ATOM 822 CD LYS B 104 4.796 -16.183 18.697 1.00 52.23 C ATOM 823 CE LYS B 104 4.162 -15.357 19.813 1.00 13.25 C ATOM 824 NZ LYS B 104 4.005 -16.140 21.070 1.00 34.23 N ATOM 0 H LYS B 104 9.082 -16.265 18.757 1.00 45.23 H new ATOM 0 HA LYS B 104 8.142 -16.618 16.057 1.00 41.13 H new ATOM 0 HB2 LYS B 104 6.230 -17.539 17.054 1.00 13.33 H new ATOM 0 HB3 LYS B 104 7.564 -18.058 18.065 1.00 13.33 H new ATOM 0 HG2 LYS B 104 6.228 -17.395 19.792 1.00 44.22 H new ATOM 0 HG3 LYS B 104 6.808 -15.785 19.413 1.00 44.22 H new ATOM 0 HD2 LYS B 104 4.797 -15.598 17.777 1.00 52.23 H new ATOM 0 HD3 LYS B 104 4.183 -17.065 18.514 1.00 52.23 H new ATOM 0 HE2 LYS B 104 4.778 -14.479 20.008 1.00 13.25 H new ATOM 0 HE3 LYS B 104 3.186 -14.996 19.487 1.00 13.25 H new ATOM 0 HZ1 LYS B 104 3.571 -15.540 21.801 1.00 34.23 H new ATOM 0 HZ2 LYS B 104 3.396 -16.964 20.892 1.00 34.23 H new ATOM 0 HZ3 LYS B 104 4.938 -16.463 21.397 1.00 34.23 H new ATOM 838 N LEU B 105 7.475 -13.803 17.713 1.00 15.32 N ATOM 839 CA LEU B 105 6.939 -12.434 17.482 1.00 3.14 C ATOM 840 C LEU B 105 7.551 -11.908 16.199 1.00 31.34 C ATOM 841 O LEU B 105 6.867 -11.245 15.407 1.00 31.33 O ATOM 842 CB LEU B 105 7.152 -11.423 18.686 1.00 21.13 C ATOM 843 CG LEU B 105 8.507 -10.583 18.816 1.00 11.24 C ATOM 844 CD1 LEU B 105 8.630 -9.412 17.814 1.00 40.21 C ATOM 845 CD2 LEU B 105 8.710 -10.045 20.245 1.00 24.33 C ATOM 0 H LEU B 105 8.007 -13.910 18.577 1.00 15.32 H new ATOM 0 HA LEU B 105 5.855 -12.512 17.400 1.00 3.14 H new ATOM 0 HB2 LEU B 105 6.332 -10.706 18.652 1.00 21.13 H new ATOM 0 HB3 LEU B 105 7.038 -11.993 19.608 1.00 21.13 H new ATOM 0 HG LEU B 105 9.291 -11.300 18.571 1.00 11.24 H new ATOM 0 HD11 LEU B 105 9.577 -8.896 17.971 1.00 40.21 H new ATOM 0 HD12 LEU B 105 8.592 -9.799 16.796 1.00 40.21 H new ATOM 0 HD13 LEU B 105 7.807 -8.714 17.968 1.00 40.21 H new ATOM 0 HD21 LEU B 105 9.641 -9.480 20.292 1.00 24.33 H new ATOM 0 HD22 LEU B 105 7.877 -9.394 20.511 1.00 24.33 H new ATOM 0 HD23 LEU B 105 8.756 -10.879 20.945 1.00 24.33 H new ATOM 857 N TYR B 106 8.871 -12.219 16.016 1.00 0.52 N ATOM 858 CA TYR B 106 9.568 -11.891 14.772 1.00 21.22 C ATOM 859 C TYR B 106 8.807 -12.518 13.596 1.00 62.24 C ATOM 860 O TYR B 106 8.371 -11.805 12.721 1.00 74.34 O ATOM 861 CB TYR B 106 11.062 -12.327 14.770 1.00 51.23 C ATOM 862 CG TYR B 106 11.868 -11.664 13.638 1.00 53.22 C ATOM 863 CD1 TYR B 106 12.150 -10.300 13.701 1.00 53.42 C ATOM 864 CD2 TYR B 106 12.318 -12.366 12.515 1.00 12.21 C ATOM 865 CE1 TYR B 106 12.840 -9.648 12.702 1.00 42.31 C ATOM 866 CE2 TYR B 106 13.025 -11.721 11.507 1.00 25.22 C ATOM 867 CZ TYR B 106 13.281 -10.363 11.604 1.00 34.12 C ATOM 868 OH TYR B 106 13.977 -9.722 10.594 1.00 43.43 O ATOM 0 H TYR B 106 9.449 -12.689 16.713 1.00 0.52 H new ATOM 0 HA TYR B 106 9.583 -10.806 14.674 1.00 21.22 H new ATOM 0 HB2 TYR B 106 11.513 -12.073 15.729 1.00 51.23 H new ATOM 0 HB3 TYR B 106 11.121 -13.411 14.667 1.00 51.23 H new ATOM 0 HD1 TYR B 106 11.817 -9.736 14.560 1.00 53.42 H new ATOM 0 HD2 TYR B 106 12.113 -13.423 12.430 1.00 12.21 H new ATOM 0 HE1 TYR B 106 13.034 -8.588 12.776 1.00 42.31 H new ATOM 0 HE2 TYR B 106 13.374 -12.277 10.650 1.00 25.22 H new ATOM 0 HH TYR B 106 14.214 -10.370 9.898 1.00 43.43 H new ATOM 878 N GLU B 107 8.547 -13.830 13.694 1.00 73.25 N ATOM 879 CA GLU B 107 7.859 -14.614 12.653 1.00 0.20 C ATOM 880 C GLU B 107 6.437 -14.090 12.341 1.00 32.24 C ATOM 881 O GLU B 107 6.033 -14.075 11.185 1.00 22.40 O ATOM 882 CB GLU B 107 7.787 -16.086 13.114 1.00 33.30 C ATOM 883 CG GLU B 107 9.156 -16.750 13.394 1.00 75.54 C ATOM 884 CD GLU B 107 10.134 -16.698 12.206 1.00 54.25 C ATOM 885 OE1 GLU B 107 10.983 -15.779 12.137 1.00 71.32 O ATOM 886 OE2 GLU B 107 10.064 -17.587 11.335 1.00 11.32 O ATOM 0 H GLU B 107 8.811 -14.385 14.508 1.00 73.25 H new ATOM 0 HA GLU B 107 8.432 -14.519 11.731 1.00 0.20 H new ATOM 0 HB2 GLU B 107 7.182 -16.138 14.019 1.00 33.30 H new ATOM 0 HB3 GLU B 107 7.268 -16.665 12.350 1.00 33.30 H new ATOM 0 HG2 GLU B 107 9.617 -16.260 14.252 1.00 75.54 H new ATOM 0 HG3 GLU B 107 8.993 -17.791 13.671 1.00 75.54 H new ATOM 893 N GLN B 108 5.695 -13.666 13.383 1.00 35.42 N ATOM 894 CA GLN B 108 4.288 -13.222 13.230 1.00 22.45 C ATOM 895 C GLN B 108 4.218 -11.934 12.415 1.00 2.43 C ATOM 896 O GLN B 108 3.640 -11.907 11.317 1.00 20.11 O ATOM 897 CB GLN B 108 3.575 -13.007 14.606 1.00 34.23 C ATOM 898 CG GLN B 108 3.544 -14.233 15.551 1.00 75.03 C ATOM 899 CD GLN B 108 3.316 -15.560 14.824 1.00 34.14 C ATOM 900 OE1 GLN B 108 2.186 -16.016 14.659 1.00 54.14 O ATOM 901 NE2 GLN B 108 4.403 -16.181 14.372 1.00 32.15 N ATOM 0 H GLN B 108 6.043 -13.620 14.341 1.00 35.42 H new ATOM 0 HA GLN B 108 3.765 -14.021 12.705 1.00 22.45 H new ATOM 0 HB2 GLN B 108 4.069 -12.185 15.125 1.00 34.23 H new ATOM 0 HB3 GLN B 108 2.549 -12.693 14.416 1.00 34.23 H new ATOM 0 HG2 GLN B 108 4.486 -14.284 16.097 1.00 75.03 H new ATOM 0 HG3 GLN B 108 2.755 -14.092 16.289 1.00 75.03 H new ATOM 0 HE21 GLN B 108 5.325 -15.773 14.527 1.00 32.15 H new ATOM 0 HE22 GLN B 108 4.314 -17.065 13.870 1.00 32.15 H new ATOM 910 N ILE B 109 4.850 -10.879 12.954 1.00 64.21 N ATOM 911 CA ILE B 109 4.769 -9.536 12.380 1.00 32.43 C ATOM 912 C ILE B 109 5.510 -9.470 11.022 1.00 35.13 C ATOM 913 O ILE B 109 5.093 -8.741 10.138 1.00 33.31 O ATOM 914 CB ILE B 109 5.350 -8.438 13.345 1.00 15.34 C ATOM 915 CG1 ILE B 109 4.909 -8.651 14.827 1.00 34.22 C ATOM 916 CG2 ILE B 109 4.929 -7.030 12.854 1.00 53.11 C ATOM 917 CD1 ILE B 109 5.561 -7.697 15.819 1.00 45.44 C ATOM 0 H ILE B 109 5.426 -10.937 13.794 1.00 64.21 H new ATOM 0 HA ILE B 109 3.710 -9.328 12.229 1.00 32.43 H new ATOM 0 HB ILE B 109 6.436 -8.525 13.322 1.00 15.34 H new ATOM 0 HG12 ILE B 109 3.827 -8.539 14.891 1.00 34.22 H new ATOM 0 HG13 ILE B 109 5.142 -9.675 15.119 1.00 34.22 H new ATOM 0 HG21 ILE B 109 5.334 -6.274 13.526 1.00 53.11 H new ATOM 0 HG22 ILE B 109 5.315 -6.865 11.848 1.00 53.11 H new ATOM 0 HG23 ILE B 109 3.841 -6.959 12.842 1.00 53.11 H new ATOM 0 HD11 ILE B 109 5.199 -7.914 16.824 1.00 45.44 H new ATOM 0 HD12 ILE B 109 6.643 -7.823 15.788 1.00 45.44 H new ATOM 0 HD13 ILE B 109 5.308 -6.670 15.556 1.00 45.44 H new ATOM 929 N LEU B 110 6.621 -10.235 10.898 1.00 73.11 N ATOM 930 CA LEU B 110 7.449 -10.303 9.659 1.00 23.21 C ATOM 931 C LEU B 110 6.676 -11.025 8.535 1.00 72.21 C ATOM 932 O LEU B 110 6.802 -10.649 7.376 1.00 73.43 O ATOM 933 CB LEU B 110 8.826 -11.001 9.946 1.00 11.41 C ATOM 934 CG LEU B 110 10.073 -10.594 9.081 1.00 74.55 C ATOM 935 CD1 LEU B 110 9.990 -11.083 7.614 1.00 12.41 C ATOM 936 CD2 LEU B 110 10.314 -9.069 9.169 1.00 53.43 C ATOM 0 H LEU B 110 6.973 -10.825 11.652 1.00 73.11 H new ATOM 0 HA LEU B 110 7.659 -9.287 9.325 1.00 23.21 H new ATOM 0 HB2 LEU B 110 9.076 -10.821 10.992 1.00 11.41 H new ATOM 0 HB3 LEU B 110 8.682 -12.075 9.833 1.00 11.41 H new ATOM 0 HG LEU B 110 10.936 -11.107 9.505 1.00 74.55 H new ATOM 0 HD11 LEU B 110 10.883 -10.767 7.074 1.00 12.41 H new ATOM 0 HD12 LEU B 110 9.921 -12.171 7.596 1.00 12.41 H new ATOM 0 HD13 LEU B 110 9.108 -10.656 7.137 1.00 12.41 H new ATOM 0 HD21 LEU B 110 11.181 -8.802 8.565 1.00 53.43 H new ATOM 0 HD22 LEU B 110 9.436 -8.540 8.798 1.00 53.43 H new ATOM 0 HD23 LEU B 110 10.495 -8.788 10.207 1.00 53.43 H new ATOM 948 N ALA B 111 5.888 -12.059 8.890 1.00 13.44 N ATOM 949 CA ALA B 111 5.007 -12.760 7.930 1.00 71.22 C ATOM 950 C ALA B 111 3.913 -11.808 7.410 1.00 11.10 C ATOM 951 O ALA B 111 3.603 -11.790 6.211 1.00 42.23 O ATOM 952 CB ALA B 111 4.377 -14.007 8.575 1.00 20.04 C ATOM 0 H ALA B 111 5.843 -12.430 9.839 1.00 13.44 H new ATOM 0 HA ALA B 111 5.613 -13.086 7.085 1.00 71.22 H new ATOM 0 HB1 ALA B 111 3.734 -14.506 7.850 1.00 20.04 H new ATOM 0 HB2 ALA B 111 5.165 -14.690 8.891 1.00 20.04 H new ATOM 0 HB3 ALA B 111 3.786 -13.709 9.441 1.00 20.04 H new ATOM 958 N GLU B 112 3.352 -11.008 8.335 1.00 32.13 N ATOM 959 CA GLU B 112 2.356 -9.973 8.013 1.00 61.13 C ATOM 960 C GLU B 112 3.015 -8.828 7.186 1.00 14.41 C ATOM 961 O GLU B 112 2.405 -8.284 6.272 1.00 1.24 O ATOM 962 CB GLU B 112 1.744 -9.403 9.324 1.00 3.32 C ATOM 963 CG GLU B 112 0.552 -8.432 9.119 1.00 65.42 C ATOM 964 CD GLU B 112 -0.756 -9.133 8.734 1.00 41.01 C ATOM 965 OE1 GLU B 112 -1.033 -9.272 7.534 1.00 30.52 O ATOM 966 OE2 GLU B 112 -1.513 -9.557 9.632 1.00 62.25 O ATOM 0 H GLU B 112 3.578 -11.062 9.328 1.00 32.13 H new ATOM 0 HA GLU B 112 1.562 -10.421 7.415 1.00 61.13 H new ATOM 0 HB2 GLU B 112 1.413 -10.235 9.945 1.00 3.32 H new ATOM 0 HB3 GLU B 112 2.526 -8.883 9.877 1.00 3.32 H new ATOM 0 HG2 GLU B 112 0.394 -7.866 10.037 1.00 65.42 H new ATOM 0 HG3 GLU B 112 0.811 -7.713 8.342 1.00 65.42 H new ATOM 973 N ASN B 113 4.285 -8.517 7.525 1.00 12.12 N ATOM 974 CA ASN B 113 5.093 -7.430 6.907 1.00 73.12 C ATOM 975 C ASN B 113 5.481 -7.819 5.466 1.00 41.55 C ATOM 976 O ASN B 113 5.515 -6.974 4.572 1.00 54.43 O ATOM 977 CB ASN B 113 6.366 -7.179 7.769 1.00 51.34 C ATOM 978 CG ASN B 113 7.170 -5.942 7.358 1.00 21.33 C ATOM 979 OD1 ASN B 113 8.049 -6.015 6.502 1.00 44.30 O ATOM 980 ND2 ASN B 113 6.891 -4.797 7.975 1.00 11.33 N ATOM 0 H ASN B 113 4.793 -9.022 8.251 1.00 12.12 H new ATOM 0 HA ASN B 113 4.505 -6.513 6.869 1.00 73.12 H new ATOM 0 HB2 ASN B 113 6.069 -7.075 8.813 1.00 51.34 H new ATOM 0 HB3 ASN B 113 7.012 -8.055 7.707 1.00 51.34 H new ATOM 0 HD21 ASN B 113 7.412 -3.952 7.741 1.00 11.33 H new ATOM 0 HD22 ASN B 113 6.156 -4.764 8.682 1.00 11.33 H new ATOM 987 N GLU B 114 5.742 -9.127 5.283 1.00 30.34 N ATOM 988 CA GLU B 114 6.005 -9.754 3.974 1.00 42.21 C ATOM 989 C GLU B 114 4.777 -9.589 3.080 1.00 34.31 C ATOM 990 O GLU B 114 4.888 -9.166 1.926 1.00 55.14 O ATOM 991 CB GLU B 114 6.344 -11.275 4.155 1.00 74.52 C ATOM 992 CG GLU B 114 5.926 -12.166 2.962 1.00 32.42 C ATOM 993 CD GLU B 114 6.422 -13.616 3.033 1.00 71.35 C ATOM 994 OE1 GLU B 114 7.644 -13.836 3.115 1.00 60.02 O ATOM 995 OE2 GLU B 114 5.594 -14.548 2.993 1.00 12.31 O ATOM 0 H GLU B 114 5.777 -9.791 6.057 1.00 30.34 H new ATOM 0 HA GLU B 114 6.861 -9.266 3.507 1.00 42.21 H new ATOM 0 HB2 GLU B 114 7.417 -11.380 4.313 1.00 74.52 H new ATOM 0 HB3 GLU B 114 5.852 -11.640 5.056 1.00 74.52 H new ATOM 0 HG2 GLU B 114 4.838 -12.172 2.896 1.00 32.42 H new ATOM 0 HG3 GLU B 114 6.298 -11.715 2.042 1.00 32.42 H new ATOM 1002 N LYS B 115 3.616 -9.968 3.647 1.00 4.42 N ATOM 1003 CA LYS B 115 2.327 -9.887 2.965 1.00 10.54 C ATOM 1004 C LYS B 115 2.053 -8.437 2.518 1.00 21.45 C ATOM 1005 O LYS B 115 1.700 -8.195 1.372 1.00 42.31 O ATOM 1006 CB LYS B 115 1.182 -10.367 3.899 1.00 44.31 C ATOM 1007 CG LYS B 115 -0.204 -10.488 3.197 1.00 73.43 C ATOM 1008 CD LYS B 115 -1.404 -10.120 4.097 1.00 75.13 C ATOM 1009 CE LYS B 115 -1.443 -8.621 4.425 1.00 74.21 C ATOM 1010 NZ LYS B 115 -2.585 -8.281 5.318 1.00 1.05 N ATOM 0 H LYS B 115 3.554 -10.339 4.595 1.00 4.42 H new ATOM 0 HA LYS B 115 2.363 -10.535 2.089 1.00 10.54 H new ATOM 0 HB2 LYS B 115 1.451 -11.337 4.317 1.00 44.31 H new ATOM 0 HB3 LYS B 115 1.094 -9.673 4.735 1.00 44.31 H new ATOM 0 HG2 LYS B 115 -0.211 -9.842 2.319 1.00 73.43 H new ATOM 0 HG3 LYS B 115 -0.331 -11.511 2.842 1.00 73.43 H new ATOM 0 HD2 LYS B 115 -2.331 -10.406 3.599 1.00 75.13 H new ATOM 0 HD3 LYS B 115 -1.350 -10.692 5.023 1.00 75.13 H new ATOM 0 HE2 LYS B 115 -0.508 -8.329 4.903 1.00 74.21 H new ATOM 0 HE3 LYS B 115 -1.521 -8.048 3.501 1.00 74.21 H new ATOM 0 HZ1 LYS B 115 -2.788 -7.263 5.249 1.00 1.05 H new ATOM 0 HZ2 LYS B 115 -3.425 -8.822 5.029 1.00 1.05 H new ATOM 0 HZ3 LYS B 115 -2.341 -8.520 6.300 1.00 1.05 H new ATOM 1024 N LEU B 116 2.292 -7.490 3.441 1.00 2.21 N ATOM 1025 CA LEU B 116 2.066 -6.054 3.209 1.00 53.55 C ATOM 1026 C LEU B 116 3.054 -5.481 2.167 1.00 65.15 C ATOM 1027 O LEU B 116 2.725 -4.555 1.417 1.00 31.43 O ATOM 1028 CB LEU B 116 2.133 -5.275 4.548 1.00 3.01 C ATOM 1029 CG LEU B 116 0.966 -5.555 5.553 1.00 14.52 C ATOM 1030 CD1 LEU B 116 1.195 -4.858 6.906 1.00 45.55 C ATOM 1031 CD2 LEU B 116 -0.390 -5.151 4.949 1.00 51.13 C ATOM 0 H LEU B 116 2.649 -7.701 4.373 1.00 2.21 H new ATOM 0 HA LEU B 116 1.066 -5.931 2.794 1.00 53.55 H new ATOM 0 HB2 LEU B 116 3.076 -5.513 5.039 1.00 3.01 H new ATOM 0 HB3 LEU B 116 2.149 -4.208 4.326 1.00 3.01 H new ATOM 0 HG LEU B 116 0.951 -6.629 5.740 1.00 14.52 H new ATOM 0 HD11 LEU B 116 0.362 -5.078 7.574 1.00 45.55 H new ATOM 0 HD12 LEU B 116 2.122 -5.221 7.350 1.00 45.55 H new ATOM 0 HD13 LEU B 116 1.263 -3.781 6.753 1.00 45.55 H new ATOM 0 HD21 LEU B 116 -1.184 -5.356 5.667 1.00 51.13 H new ATOM 0 HD22 LEU B 116 -0.380 -4.087 4.712 1.00 51.13 H new ATOM 0 HD23 LEU B 116 -0.568 -5.724 4.039 1.00 51.13 H new ATOM 1043 N LYS B 117 4.238 -6.082 2.100 1.00 74.41 N ATOM 1044 CA LYS B 117 5.275 -5.732 1.116 1.00 21.50 C ATOM 1045 C LYS B 117 4.819 -6.225 -0.286 1.00 73.23 C ATOM 1046 O LYS B 117 4.977 -5.523 -1.296 1.00 74.44 O ATOM 1047 CB LYS B 117 6.618 -6.362 1.602 1.00 72.21 C ATOM 1048 CG LYS B 117 7.911 -6.043 0.799 1.00 63.22 C ATOM 1049 CD LYS B 117 8.077 -6.861 -0.508 1.00 31.34 C ATOM 1050 CE LYS B 117 7.861 -8.369 -0.300 1.00 13.14 C ATOM 1051 NZ LYS B 117 8.173 -9.141 -1.530 1.00 10.05 N ATOM 0 H LYS B 117 4.514 -6.834 2.731 1.00 74.41 H new ATOM 0 HA LYS B 117 5.429 -4.657 1.028 1.00 21.50 H new ATOM 0 HB2 LYS B 117 6.780 -6.047 2.633 1.00 72.21 H new ATOM 0 HB3 LYS B 117 6.493 -7.445 1.615 1.00 72.21 H new ATOM 0 HG2 LYS B 117 7.917 -4.982 0.551 1.00 63.22 H new ATOM 0 HG3 LYS B 117 8.775 -6.225 1.439 1.00 63.22 H new ATOM 0 HD2 LYS B 117 7.368 -6.496 -1.252 1.00 31.34 H new ATOM 0 HD3 LYS B 117 9.076 -6.694 -0.911 1.00 31.34 H new ATOM 0 HE2 LYS B 117 8.491 -8.718 0.519 1.00 13.14 H new ATOM 0 HE3 LYS B 117 6.827 -8.552 -0.007 1.00 13.14 H new ATOM 0 HZ1 LYS B 117 8.016 -10.154 -1.353 1.00 10.05 H new ATOM 0 HZ2 LYS B 117 7.555 -8.825 -2.304 1.00 10.05 H new ATOM 0 HZ3 LYS B 117 9.167 -8.986 -1.795 1.00 10.05 H new ATOM 1065 N ALA B 118 4.196 -7.413 -0.302 1.00 22.01 N ATOM 1066 CA ALA B 118 3.776 -8.113 -1.529 1.00 71.03 C ATOM 1067 C ALA B 118 2.555 -7.434 -2.179 1.00 11.23 C ATOM 1068 O ALA B 118 2.519 -7.231 -3.398 1.00 31.12 O ATOM 1069 CB ALA B 118 3.471 -9.584 -1.188 1.00 64.24 C ATOM 0 H ALA B 118 3.965 -7.924 0.550 1.00 22.01 H new ATOM 0 HA ALA B 118 4.587 -8.068 -2.256 1.00 71.03 H new ATOM 0 HB1 ALA B 118 3.159 -10.110 -2.091 1.00 64.24 H new ATOM 0 HB2 ALA B 118 4.366 -10.057 -0.783 1.00 64.24 H new ATOM 0 HB3 ALA B 118 2.672 -9.628 -0.448 1.00 64.24 H new ATOM 1075 N GLN B 119 1.569 -7.080 -1.337 1.00 50.43 N ATOM 1076 CA GLN B 119 0.302 -6.474 -1.780 1.00 45.40 C ATOM 1077 C GLN B 119 0.516 -5.025 -2.242 1.00 3.22 C ATOM 1078 O GLN B 119 -0.156 -4.582 -3.170 1.00 73.15 O ATOM 1079 CB GLN B 119 -0.773 -6.572 -0.652 1.00 55.42 C ATOM 1080 CG GLN B 119 -0.399 -5.894 0.688 1.00 45.32 C ATOM 1081 CD GLN B 119 -0.720 -4.402 0.778 1.00 55.25 C ATOM 1082 OE1 GLN B 119 -1.688 -3.913 0.199 1.00 52.43 O ATOM 1083 NE2 GLN B 119 0.119 -3.659 1.478 1.00 43.11 N ATOM 0 H GLN B 119 1.629 -7.207 -0.327 1.00 50.43 H new ATOM 0 HA GLN B 119 -0.068 -7.032 -2.640 1.00 45.40 H new ATOM 0 HB2 GLN B 119 -1.699 -6.128 -1.017 1.00 55.42 H new ATOM 0 HB3 GLN B 119 -0.978 -7.625 -0.461 1.00 55.42 H new ATOM 0 HG2 GLN B 119 -0.919 -6.410 1.495 1.00 45.32 H new ATOM 0 HG3 GLN B 119 0.669 -6.030 0.859 1.00 45.32 H new ATOM 0 HE21 GLN B 119 0.914 -4.092 1.948 1.00 43.11 H new ATOM 0 HE22 GLN B 119 -0.028 -2.652 1.548 1.00 43.11 H new ATOM 1092 N LEU B 120 1.435 -4.282 -1.564 1.00 30.41 N ATOM 1093 CA LEU B 120 1.785 -2.907 -1.986 1.00 53.41 C ATOM 1094 C LEU B 120 2.445 -2.949 -3.370 1.00 11.14 C ATOM 1095 O LEU B 120 2.149 -2.111 -4.211 1.00 52.23 O ATOM 1096 CB LEU B 120 2.689 -2.177 -0.931 1.00 63.54 C ATOM 1097 CG LEU B 120 4.270 -2.244 -1.078 1.00 20.53 C ATOM 1098 CD1 LEU B 120 4.844 -1.122 -1.990 1.00 22.43 C ATOM 1099 CD2 LEU B 120 4.970 -2.217 0.286 1.00 63.50 C ATOM 0 H LEU B 120 1.936 -4.610 -0.738 1.00 30.41 H new ATOM 0 HA LEU B 120 0.868 -2.322 -2.052 1.00 53.41 H new ATOM 0 HB2 LEU B 120 2.405 -1.125 -0.929 1.00 63.54 H new ATOM 0 HB3 LEU B 120 2.435 -2.577 0.050 1.00 63.54 H new ATOM 0 HG LEU B 120 4.477 -3.199 -1.562 1.00 20.53 H new ATOM 0 HD11 LEU B 120 5.928 -1.221 -2.051 1.00 22.43 H new ATOM 0 HD12 LEU B 120 4.415 -1.209 -2.988 1.00 22.43 H new ATOM 0 HD13 LEU B 120 4.592 -0.148 -1.571 1.00 22.43 H new ATOM 0 HD21 LEU B 120 6.049 -2.264 0.142 1.00 63.50 H new ATOM 0 HD22 LEU B 120 4.714 -1.295 0.808 1.00 63.50 H new ATOM 0 HD23 LEU B 120 4.645 -3.072 0.879 1.00 63.50 H new ATOM 1111 N HIS B 121 3.345 -3.948 -3.571 1.00 41.10 N ATOM 1112 CA HIS B 121 4.020 -4.201 -4.861 1.00 70.20 C ATOM 1113 C HIS B 121 2.978 -4.324 -5.984 1.00 73.55 C ATOM 1114 O HIS B 121 3.098 -3.673 -7.020 1.00 43.25 O ATOM 1115 CB HIS B 121 4.897 -5.492 -4.761 1.00 62.44 C ATOM 1116 CG HIS B 121 5.319 -6.075 -6.088 1.00 61.53 C ATOM 1117 ND1 HIS B 121 4.544 -6.983 -6.774 1.00 11.44 N ATOM 1118 CD2 HIS B 121 6.412 -5.862 -6.864 1.00 32.11 C ATOM 1119 CE1 HIS B 121 5.140 -7.316 -7.895 1.00 10.12 C ATOM 1120 NE2 HIS B 121 6.269 -6.645 -7.978 1.00 73.21 N ATOM 0 H HIS B 121 3.620 -4.600 -2.836 1.00 41.10 H new ATOM 0 HA HIS B 121 4.675 -3.363 -5.096 1.00 70.20 H new ATOM 0 HB2 HIS B 121 5.790 -5.263 -4.180 1.00 62.44 H new ATOM 0 HB3 HIS B 121 4.342 -6.249 -4.207 1.00 62.44 H new ATOM 0 HD1 HIS B 121 3.643 -7.342 -6.459 1.00 11.44 H new ATOM 0 HD2 HIS B 121 7.237 -5.201 -6.645 1.00 32.11 H new ATOM 0 HE1 HIS B 121 4.768 -8.020 -8.624 1.00 10.12 H new ATOM 1129 N ASP B 122 1.947 -5.140 -5.719 1.00 2.25 N ATOM 1130 CA ASP B 122 0.856 -5.394 -6.667 1.00 1.44 C ATOM 1131 C ASP B 122 0.061 -4.113 -6.964 1.00 71.41 C ATOM 1132 O ASP B 122 -0.141 -3.783 -8.126 1.00 65.04 O ATOM 1133 CB ASP B 122 -0.083 -6.508 -6.128 1.00 20.11 C ATOM 1134 CG ASP B 122 0.567 -7.905 -6.048 1.00 0.52 C ATOM 1135 OD1 ASP B 122 1.722 -8.094 -6.495 1.00 34.55 O ATOM 1136 OD2 ASP B 122 -0.086 -8.836 -5.545 1.00 14.24 O ATOM 0 H ASP B 122 1.848 -5.643 -4.837 1.00 2.25 H new ATOM 0 HA ASP B 122 1.299 -5.733 -7.603 1.00 1.44 H new ATOM 0 HB2 ASP B 122 -0.430 -6.225 -5.134 1.00 20.11 H new ATOM 0 HB3 ASP B 122 -0.963 -6.566 -6.769 1.00 20.11 H new ATOM 1141 N THR B 123 -0.339 -3.382 -5.900 1.00 73.22 N ATOM 1142 CA THR B 123 -1.174 -2.161 -6.016 1.00 63.10 C ATOM 1143 C THR B 123 -0.401 -1.006 -6.706 1.00 32.42 C ATOM 1144 O THR B 123 -0.999 -0.148 -7.368 1.00 43.03 O ATOM 1145 CB THR B 123 -1.696 -1.695 -4.612 1.00 2.41 C ATOM 1146 OG1 THR B 123 -2.221 -2.821 -3.891 1.00 33.22 O ATOM 1147 CG2 THR B 123 -2.805 -0.628 -4.731 1.00 74.20 C ATOM 0 H THR B 123 -0.094 -3.619 -4.939 1.00 73.22 H new ATOM 0 HA THR B 123 -2.031 -2.418 -6.638 1.00 63.10 H new ATOM 0 HB THR B 123 -0.850 -1.256 -4.083 1.00 2.41 H new ATOM 0 HG1 THR B 123 -1.482 -3.392 -3.594 1.00 33.22 H new ATOM 0 HG21 THR B 123 -3.136 -0.335 -3.735 1.00 74.20 H new ATOM 0 HG22 THR B 123 -2.416 0.245 -5.255 1.00 74.20 H new ATOM 0 HG23 THR B 123 -3.647 -1.039 -5.287 1.00 74.20 H new ATOM 1155 N ASN B 124 0.936 -1.016 -6.551 1.00 15.43 N ATOM 1156 CA ASN B 124 1.828 -0.046 -7.206 1.00 64.24 C ATOM 1157 C ASN B 124 1.964 -0.390 -8.700 1.00 11.31 C ATOM 1158 O ASN B 124 2.045 0.511 -9.524 1.00 63.14 O ATOM 1159 CB ASN B 124 3.220 0.031 -6.500 1.00 60.32 C ATOM 1160 CG ASN B 124 3.211 0.824 -5.173 1.00 34.22 C ATOM 1161 OD1 ASN B 124 2.204 0.623 -4.325 1.00 50.31 O flip ATOM 1162 ND2 ASN B 124 4.130 1.594 -4.893 1.00 22.44 N flip ATOM 0 H ASN B 124 1.426 -1.696 -5.969 1.00 15.43 H new ATOM 0 HA ASN B 124 1.384 0.946 -7.118 1.00 64.24 H new ATOM 0 HB2 ASN B 124 3.572 -0.982 -6.303 1.00 60.32 H new ATOM 0 HB3 ASN B 124 3.936 0.491 -7.181 1.00 60.32 H new ATOM 0 HD21 ASN B 124 4.894 1.737 -5.553 1.00 22.44 H new ATOM 0 HD22 ASN B 124 4.127 2.089 -4.001 1.00 22.44 H new ATOM 1169 N MET B 125 1.979 -1.705 -9.039 1.00 43.35 N ATOM 1170 CA MET B 125 1.935 -2.179 -10.438 1.00 73.41 C ATOM 1171 C MET B 125 0.574 -1.884 -11.085 1.00 2.31 C ATOM 1172 O MET B 125 0.509 -1.629 -12.290 1.00 52.14 O ATOM 1173 CB MET B 125 2.241 -3.694 -10.502 1.00 64.13 C ATOM 1174 CG MET B 125 3.669 -4.058 -10.082 1.00 63.10 C ATOM 1175 SD MET B 125 4.940 -3.475 -11.238 1.00 50.14 S ATOM 1176 CE MET B 125 4.536 -4.378 -12.735 1.00 10.35 C ATOM 0 H MET B 125 2.022 -2.458 -8.352 1.00 43.35 H new ATOM 0 HA MET B 125 2.698 -1.639 -10.999 1.00 73.41 H new ATOM 0 HB2 MET B 125 1.538 -4.224 -9.860 1.00 64.13 H new ATOM 0 HB3 MET B 125 2.071 -4.046 -11.519 1.00 64.13 H new ATOM 0 HG2 MET B 125 3.867 -3.637 -9.096 1.00 63.10 H new ATOM 0 HG3 MET B 125 3.746 -5.141 -9.988 1.00 63.10 H new ATOM 0 HE1 MET B 125 5.388 -4.355 -13.415 1.00 10.35 H new ATOM 0 HE2 MET B 125 4.301 -5.412 -12.484 1.00 10.35 H new ATOM 0 HE3 MET B 125 3.674 -3.917 -13.217 1.00 10.35 H new ATOM 1186 N GLU B 126 -0.508 -1.922 -10.280 1.00 42.50 N ATOM 1187 CA GLU B 126 -1.854 -1.533 -10.739 1.00 53.33 C ATOM 1188 C GLU B 126 -1.861 -0.046 -11.106 1.00 74.01 C ATOM 1189 O GLU B 126 -2.447 0.344 -12.107 1.00 24.31 O ATOM 1190 CB GLU B 126 -2.922 -1.810 -9.649 1.00 71.11 C ATOM 1191 CG GLU B 126 -3.057 -3.280 -9.232 1.00 64.32 C ATOM 1192 CD GLU B 126 -3.418 -4.215 -10.399 1.00 65.01 C ATOM 1193 OE1 GLU B 126 -2.518 -4.869 -10.961 1.00 34.11 O ATOM 1194 OE2 GLU B 126 -4.606 -4.282 -10.775 1.00 33.03 O ATOM 0 H GLU B 126 -0.473 -2.220 -9.305 1.00 42.50 H new ATOM 0 HA GLU B 126 -2.103 -2.131 -11.616 1.00 53.33 H new ATOM 0 HB2 GLU B 126 -2.680 -1.218 -8.766 1.00 71.11 H new ATOM 0 HB3 GLU B 126 -3.889 -1.461 -10.012 1.00 71.11 H new ATOM 0 HG2 GLU B 126 -2.119 -3.612 -8.787 1.00 64.32 H new ATOM 0 HG3 GLU B 126 -3.822 -3.362 -8.460 1.00 64.32 H new ATOM 1201 N LEU B 127 -1.175 0.756 -10.268 1.00 20.53 N ATOM 1202 CA LEU B 127 -1.044 2.214 -10.449 1.00 53.22 C ATOM 1203 C LEU B 127 -0.074 2.535 -11.618 1.00 4.33 C ATOM 1204 O LEU B 127 -0.254 3.539 -12.306 1.00 22.11 O ATOM 1205 CB LEU B 127 -0.619 2.854 -9.085 1.00 51.44 C ATOM 1206 CG LEU B 127 -0.617 4.428 -8.964 1.00 21.01 C ATOM 1207 CD1 LEU B 127 -0.769 4.856 -7.490 1.00 63.35 C ATOM 1208 CD2 LEU B 127 0.653 5.086 -9.568 1.00 51.23 C ATOM 0 H LEU B 127 -0.693 0.407 -9.440 1.00 20.53 H new ATOM 0 HA LEU B 127 -1.999 2.655 -10.734 1.00 53.22 H new ATOM 0 HB2 LEU B 127 -1.282 2.462 -8.313 1.00 51.44 H new ATOM 0 HB3 LEU B 127 0.386 2.502 -8.851 1.00 51.44 H new ATOM 0 HG LEU B 127 -1.469 4.779 -9.546 1.00 21.01 H new ATOM 0 HD11 LEU B 127 -0.766 5.944 -7.425 1.00 63.35 H new ATOM 0 HD12 LEU B 127 -1.709 4.472 -7.095 1.00 63.35 H new ATOM 0 HD13 LEU B 127 0.060 4.455 -6.907 1.00 63.35 H new ATOM 0 HD21 LEU B 127 0.592 6.168 -9.453 1.00 51.23 H new ATOM 0 HD22 LEU B 127 1.537 4.715 -9.049 1.00 51.23 H new ATOM 0 HD23 LEU B 127 0.723 4.837 -10.627 1.00 51.23 H new ATOM 1220 N THR B 128 0.935 1.659 -11.849 1.00 54.35 N ATOM 1221 CA THR B 128 1.881 1.788 -12.982 1.00 21.53 C ATOM 1222 C THR B 128 1.133 1.562 -14.319 1.00 30.31 C ATOM 1223 O THR B 128 1.237 2.360 -15.268 1.00 54.24 O ATOM 1224 CB THR B 128 3.057 0.759 -12.844 1.00 44.53 C ATOM 1225 OG1 THR B 128 3.761 0.973 -11.605 1.00 34.11 O ATOM 1226 CG2 THR B 128 4.059 0.843 -14.020 1.00 22.21 C ATOM 0 H THR B 128 1.114 0.848 -11.258 1.00 54.35 H new ATOM 0 HA THR B 128 2.302 2.794 -12.970 1.00 21.53 H new ATOM 0 HB THR B 128 2.610 -0.235 -12.858 1.00 44.53 H new ATOM 0 HG1 THR B 128 3.155 0.812 -10.852 1.00 34.11 H new ATOM 0 HG21 THR B 128 4.853 0.110 -13.875 1.00 22.21 H new ATOM 0 HG22 THR B 128 3.540 0.635 -14.956 1.00 22.21 H new ATOM 0 HG23 THR B 128 4.491 1.843 -14.059 1.00 22.21 H new ATOM 1234 N ASP B 129 0.352 0.471 -14.343 1.00 12.10 N ATOM 1235 CA ASP B 129 -0.524 0.112 -15.463 1.00 75.14 C ATOM 1236 C ASP B 129 -1.577 1.205 -15.674 1.00 1.42 C ATOM 1237 O ASP B 129 -1.921 1.529 -16.803 1.00 74.33 O ATOM 1238 CB ASP B 129 -1.207 -1.258 -15.188 1.00 11.54 C ATOM 1239 CG ASP B 129 -2.134 -1.704 -16.334 1.00 32.43 C ATOM 1240 OD1 ASP B 129 -3.363 -1.498 -16.244 1.00 53.53 O ATOM 1241 OD2 ASP B 129 -1.631 -2.265 -17.334 1.00 41.30 O ATOM 0 H ASP B 129 0.313 -0.195 -13.572 1.00 12.10 H new ATOM 0 HA ASP B 129 0.074 0.025 -16.370 1.00 75.14 H new ATOM 0 HB2 ASP B 129 -0.440 -2.016 -15.032 1.00 11.54 H new ATOM 0 HB3 ASP B 129 -1.783 -1.193 -14.265 1.00 11.54 H new ATOM 1246 N LEU B 130 -2.036 1.789 -14.556 1.00 43.42 N ATOM 1247 CA LEU B 130 -3.086 2.804 -14.550 1.00 74.14 C ATOM 1248 C LEU B 130 -2.604 4.079 -15.248 1.00 22.45 C ATOM 1249 O LEU B 130 -3.286 4.573 -16.139 1.00 65.43 O ATOM 1250 CB LEU B 130 -3.550 3.114 -13.093 1.00 61.24 C ATOM 1251 CG LEU B 130 -5.051 3.497 -12.928 1.00 43.05 C ATOM 1252 CD1 LEU B 130 -5.403 4.836 -13.633 1.00 62.22 C ATOM 1253 CD2 LEU B 130 -5.942 2.331 -13.427 1.00 12.41 C ATOM 0 H LEU B 130 -1.682 1.564 -13.626 1.00 43.42 H new ATOM 0 HA LEU B 130 -3.942 2.413 -15.101 1.00 74.14 H new ATOM 0 HB2 LEU B 130 -3.347 2.241 -12.473 1.00 61.24 H new ATOM 0 HB3 LEU B 130 -2.941 3.930 -12.703 1.00 61.24 H new ATOM 0 HG LEU B 130 -5.246 3.661 -11.868 1.00 43.05 H new ATOM 0 HD11 LEU B 130 -6.460 5.057 -13.488 1.00 62.22 H new ATOM 0 HD12 LEU B 130 -4.803 5.640 -13.207 1.00 62.22 H new ATOM 0 HD13 LEU B 130 -5.193 4.752 -14.699 1.00 62.22 H new ATOM 0 HD21 LEU B 130 -6.992 2.600 -13.311 1.00 12.41 H new ATOM 0 HD22 LEU B 130 -5.731 2.136 -14.479 1.00 12.41 H new ATOM 0 HD23 LEU B 130 -5.730 1.436 -12.843 1.00 12.41 H new ATOM 1265 N LYS B 131 -1.429 4.602 -14.831 1.00 24.13 N ATOM 1266 CA LYS B 131 -0.894 5.867 -15.369 1.00 24.41 C ATOM 1267 C LYS B 131 -0.493 5.703 -16.858 1.00 11.01 C ATOM 1268 O LYS B 131 -0.515 6.672 -17.624 1.00 3.03 O ATOM 1269 CB LYS B 131 0.247 6.431 -14.460 1.00 34.35 C ATOM 1270 CG LYS B 131 1.477 5.519 -14.216 1.00 41.34 C ATOM 1271 CD LYS B 131 2.508 5.535 -15.364 1.00 24.31 C ATOM 1272 CE LYS B 131 3.685 4.591 -15.112 1.00 60.31 C ATOM 1273 NZ LYS B 131 4.682 4.644 -16.209 1.00 31.22 N ATOM 0 H LYS B 131 -0.836 4.166 -14.125 1.00 24.13 H new ATOM 0 HA LYS B 131 -1.679 6.623 -15.351 1.00 24.41 H new ATOM 0 HB2 LYS B 131 0.600 7.363 -14.901 1.00 34.35 H new ATOM 0 HB3 LYS B 131 -0.186 6.681 -13.491 1.00 34.35 H new ATOM 0 HG2 LYS B 131 1.970 5.830 -13.295 1.00 41.34 H new ATOM 0 HG3 LYS B 131 1.133 4.496 -14.064 1.00 41.34 H new ATOM 0 HD2 LYS B 131 2.014 5.254 -16.294 1.00 24.31 H new ATOM 0 HD3 LYS B 131 2.883 6.550 -15.496 1.00 24.31 H new ATOM 0 HE2 LYS B 131 4.167 4.855 -14.171 1.00 60.31 H new ATOM 0 HE3 LYS B 131 3.316 3.571 -15.006 1.00 60.31 H new ATOM 0 HZ1 LYS B 131 5.463 3.990 -16.000 1.00 31.22 H new ATOM 0 HZ2 LYS B 131 4.229 4.367 -17.103 1.00 31.22 H new ATOM 0 HZ3 LYS B 131 5.054 5.612 -16.294 1.00 31.22 H new ATOM 1287 N LEU B 132 -0.178 4.452 -17.248 1.00 42.23 N ATOM 1288 CA LEU B 132 0.032 4.076 -18.654 1.00 31.00 C ATOM 1289 C LEU B 132 -1.305 4.208 -19.445 1.00 3.25 C ATOM 1290 O LEU B 132 -1.372 4.921 -20.449 1.00 73.12 O ATOM 1291 CB LEU B 132 0.596 2.636 -18.717 1.00 73.40 C ATOM 1292 CG LEU B 132 0.932 2.080 -20.135 1.00 30.31 C ATOM 1293 CD1 LEU B 132 2.013 2.920 -20.854 1.00 12.22 C ATOM 1294 CD2 LEU B 132 1.327 0.596 -20.061 1.00 32.12 C ATOM 0 H LEU B 132 -0.063 3.677 -16.595 1.00 42.23 H new ATOM 0 HA LEU B 132 0.755 4.747 -19.118 1.00 31.00 H new ATOM 0 HB2 LEU B 132 1.502 2.598 -18.112 1.00 73.40 H new ATOM 0 HB3 LEU B 132 -0.126 1.966 -18.251 1.00 73.40 H new ATOM 0 HG LEU B 132 0.027 2.160 -20.737 1.00 30.31 H new ATOM 0 HD11 LEU B 132 2.212 2.493 -21.837 1.00 12.22 H new ATOM 0 HD12 LEU B 132 1.661 3.945 -20.969 1.00 12.22 H new ATOM 0 HD13 LEU B 132 2.930 2.915 -20.264 1.00 12.22 H new ATOM 0 HD21 LEU B 132 1.557 0.230 -21.062 1.00 32.12 H new ATOM 0 HD22 LEU B 132 2.204 0.484 -19.424 1.00 32.12 H new ATOM 0 HD23 LEU B 132 0.500 0.020 -19.645 1.00 32.12 H new ATOM 1306 N GLN B 133 -2.383 3.566 -18.930 1.00 61.33 N ATOM 1307 CA GLN B 133 -3.756 3.690 -19.495 1.00 32.52 C ATOM 1308 C GLN B 133 -4.220 5.161 -19.501 1.00 30.45 C ATOM 1309 O GLN B 133 -4.957 5.584 -20.385 1.00 52.32 O ATOM 1310 CB GLN B 133 -4.789 2.879 -18.665 1.00 25.32 C ATOM 1311 CG GLN B 133 -4.542 1.373 -18.565 1.00 22.01 C ATOM 1312 CD GLN B 133 -5.616 0.677 -17.728 1.00 11.11 C ATOM 1313 OE1 GLN B 133 -5.440 0.659 -16.415 1.00 2.24 O flip ATOM 1314 NE2 GLN B 133 -6.627 0.213 -18.254 1.00 14.34 N flip ATOM 0 H GLN B 133 -2.329 2.952 -18.118 1.00 61.33 H new ATOM 0 HA GLN B 133 -3.707 3.300 -20.512 1.00 32.52 H new ATOM 0 HB2 GLN B 133 -4.816 3.290 -17.656 1.00 25.32 H new ATOM 0 HB3 GLN B 133 -5.776 3.036 -19.099 1.00 25.32 H new ATOM 0 HG2 GLN B 133 -4.523 0.940 -19.565 1.00 22.01 H new ATOM 0 HG3 GLN B 133 -3.562 1.194 -18.122 1.00 22.01 H new ATOM 0 HE21 GLN B 133 -6.733 0.242 -19.268 1.00 14.34 H new ATOM 0 HE22 GLN B 133 -7.359 -0.200 -17.676 1.00 14.34 H new ATOM 1323 N LEU B 134 -3.753 5.904 -18.485 1.00 44.21 N ATOM 1324 CA LEU B 134 -4.190 7.273 -18.177 1.00 55.43 C ATOM 1325 C LEU B 134 -3.781 8.211 -19.304 1.00 64.15 C ATOM 1326 O LEU B 134 -4.601 8.977 -19.805 1.00 50.31 O ATOM 1327 CB LEU B 134 -3.565 7.718 -16.821 1.00 14.41 C ATOM 1328 CG LEU B 134 -4.335 8.787 -15.997 1.00 61.03 C ATOM 1329 CD1 LEU B 134 -5.678 8.227 -15.481 1.00 30.42 C ATOM 1330 CD2 LEU B 134 -3.465 9.302 -14.837 1.00 65.32 C ATOM 0 H LEU B 134 -3.043 5.559 -17.839 1.00 44.21 H new ATOM 0 HA LEU B 134 -5.276 7.306 -18.088 1.00 55.43 H new ATOM 0 HB2 LEU B 134 -3.447 6.832 -16.197 1.00 14.41 H new ATOM 0 HB3 LEU B 134 -2.565 8.102 -17.021 1.00 14.41 H new ATOM 0 HG LEU B 134 -4.559 9.628 -16.653 1.00 61.03 H new ATOM 0 HD11 LEU B 134 -6.196 8.996 -14.908 1.00 30.42 H new ATOM 0 HD12 LEU B 134 -6.296 7.927 -16.327 1.00 30.42 H new ATOM 0 HD13 LEU B 134 -5.491 7.363 -14.843 1.00 30.42 H new ATOM 0 HD21 LEU B 134 -4.020 10.050 -14.270 1.00 65.32 H new ATOM 0 HD22 LEU B 134 -3.203 8.471 -14.182 1.00 65.32 H new ATOM 0 HD23 LEU B 134 -2.555 9.750 -15.236 1.00 65.32 H new ATOM 1342 N GLU B 135 -2.502 8.092 -19.721 1.00 31.34 N ATOM 1343 CA GLU B 135 -1.941 8.902 -20.812 1.00 53.42 C ATOM 1344 C GLU B 135 -2.449 8.441 -22.187 1.00 50.21 C ATOM 1345 O GLU B 135 -2.418 9.214 -23.140 1.00 40.32 O ATOM 1346 CB GLU B 135 -0.390 8.951 -20.728 1.00 73.44 C ATOM 1347 CG GLU B 135 0.372 7.596 -20.763 1.00 30.43 C ATOM 1348 CD GLU B 135 0.658 7.039 -22.169 1.00 1.33 C ATOM 1349 OE1 GLU B 135 1.081 7.820 -23.045 1.00 25.53 O ATOM 1350 OE2 GLU B 135 0.525 5.818 -22.394 1.00 70.03 O ATOM 0 H GLU B 135 -1.838 7.435 -19.311 1.00 31.34 H new ATOM 0 HA GLU B 135 -2.298 9.925 -20.689 1.00 53.42 H new ATOM 0 HB2 GLU B 135 -0.027 9.563 -21.554 1.00 73.44 H new ATOM 0 HB3 GLU B 135 -0.119 9.466 -19.807 1.00 73.44 H new ATOM 0 HG2 GLU B 135 1.320 7.717 -20.238 1.00 30.43 H new ATOM 0 HG3 GLU B 135 -0.207 6.858 -20.208 1.00 30.43 H new ATOM 1357 N LYS B 136 -2.905 7.173 -22.288 1.00 1.13 N ATOM 1358 CA LYS B 136 -3.635 6.694 -23.490 1.00 0.13 C ATOM 1359 C LYS B 136 -5.061 7.284 -23.545 1.00 62.30 C ATOM 1360 O LYS B 136 -5.612 7.499 -24.628 1.00 20.52 O ATOM 1361 CB LYS B 136 -3.697 5.144 -23.519 1.00 21.44 C ATOM 1362 CG LYS B 136 -2.315 4.482 -23.461 1.00 2.42 C ATOM 1363 CD LYS B 136 -2.344 2.952 -23.638 1.00 31.23 C ATOM 1364 CE LYS B 136 -0.999 2.313 -23.245 1.00 52.44 C ATOM 1365 NZ LYS B 136 0.171 3.073 -23.767 1.00 50.23 N ATOM 0 H LYS B 136 -2.784 6.467 -21.562 1.00 1.13 H new ATOM 0 HA LYS B 136 -3.086 7.036 -24.367 1.00 0.13 H new ATOM 0 HB2 LYS B 136 -4.295 4.795 -22.677 1.00 21.44 H new ATOM 0 HB3 LYS B 136 -4.208 4.824 -24.427 1.00 21.44 H new ATOM 0 HG2 LYS B 136 -1.683 4.915 -24.237 1.00 2.42 H new ATOM 0 HG3 LYS B 136 -1.851 4.718 -22.503 1.00 2.42 H new ATOM 0 HD2 LYS B 136 -3.141 2.529 -23.027 1.00 31.23 H new ATOM 0 HD3 LYS B 136 -2.574 2.709 -24.675 1.00 31.23 H new ATOM 0 HE2 LYS B 136 -0.933 2.253 -22.159 1.00 52.44 H new ATOM 0 HE3 LYS B 136 -0.962 1.291 -23.623 1.00 52.44 H new ATOM 0 HZ1 LYS B 136 1.031 2.496 -23.669 1.00 50.23 H new ATOM 0 HZ2 LYS B 136 0.018 3.300 -24.770 1.00 50.23 H new ATOM 0 HZ3 LYS B 136 0.282 3.954 -23.226 1.00 50.23 H new ATOM 1379 N ALA B 137 -5.638 7.544 -22.362 1.00 42.33 N ATOM 1380 CA ALA B 137 -6.998 8.099 -22.223 1.00 12.13 C ATOM 1381 C ALA B 137 -7.004 9.631 -22.337 1.00 43.31 C ATOM 1382 O ALA B 137 -8.048 10.225 -22.631 1.00 14.10 O ATOM 1383 CB ALA B 137 -7.614 7.659 -20.893 1.00 22.04 C ATOM 0 H ALA B 137 -5.174 7.375 -21.469 1.00 42.33 H new ATOM 0 HA ALA B 137 -7.601 7.709 -23.043 1.00 12.13 H new ATOM 0 HB1 ALA B 137 -8.617 8.075 -20.802 1.00 22.04 H new ATOM 0 HB2 ALA B 137 -7.667 6.571 -20.859 1.00 22.04 H new ATOM 0 HB3 ALA B 137 -6.996 8.018 -20.070 1.00 22.04 H new ATOM 1389 N THR B 138 -5.843 10.269 -22.092 1.00 10.55 N ATOM 1390 CA THR B 138 -5.714 11.736 -22.154 1.00 21.51 C ATOM 1391 C THR B 138 -4.697 12.168 -23.224 1.00 10.43 C ATOM 1392 O THR B 138 -3.983 11.352 -23.799 1.00 64.43 O ATOM 1393 CB THR B 138 -5.312 12.357 -20.768 1.00 45.20 C ATOM 1394 OG1 THR B 138 -5.424 13.787 -20.838 1.00 23.43 O ATOM 1395 CG2 THR B 138 -3.882 12.011 -20.331 1.00 4.31 C ATOM 0 H THR B 138 -4.978 9.787 -21.848 1.00 10.55 H new ATOM 0 HA THR B 138 -6.699 12.115 -22.426 1.00 21.51 H new ATOM 0 HB THR B 138 -5.993 11.930 -20.032 1.00 45.20 H new ATOM 0 HG1 THR B 138 -6.336 14.031 -21.100 1.00 23.43 H new ATOM 0 HG21 THR B 138 -3.674 12.473 -19.366 1.00 4.31 H new ATOM 0 HG22 THR B 138 -3.780 10.929 -20.244 1.00 4.31 H new ATOM 0 HG23 THR B 138 -3.175 12.384 -21.072 1.00 4.31 H new ATOM 1403 N GLN B 139 -4.681 13.474 -23.481 1.00 55.14 N ATOM 1404 CA GLN B 139 -3.669 14.144 -24.319 1.00 41.10 C ATOM 1405 C GLN B 139 -2.651 14.878 -23.422 1.00 55.14 C ATOM 1406 O GLN B 139 -1.535 15.168 -23.848 1.00 40.35 O ATOM 1407 CB GLN B 139 -4.374 15.110 -25.329 1.00 52.10 C ATOM 1408 CG GLN B 139 -5.588 15.889 -24.763 1.00 75.45 C ATOM 1409 CD GLN B 139 -5.228 16.957 -23.730 1.00 64.42 C ATOM 1410 OE1 GLN B 139 -4.187 17.601 -23.808 1.00 32.01 O ATOM 1411 NE2 GLN B 139 -6.066 17.121 -22.728 1.00 12.20 N ATOM 0 H GLN B 139 -5.381 14.115 -23.109 1.00 55.14 H new ATOM 0 HA GLN B 139 -3.118 13.406 -24.902 1.00 41.10 H new ATOM 0 HB2 GLN B 139 -3.639 15.829 -25.692 1.00 52.10 H new ATOM 0 HB3 GLN B 139 -4.705 14.530 -26.190 1.00 52.10 H new ATOM 0 HG2 GLN B 139 -6.117 16.364 -25.589 1.00 75.45 H new ATOM 0 HG3 GLN B 139 -6.279 15.180 -24.308 1.00 75.45 H new ATOM 0 HE21 GLN B 139 -6.925 16.573 -22.687 1.00 12.20 H new ATOM 0 HE22 GLN B 139 -5.856 17.796 -21.993 1.00 12.20 H new ATOM 1420 N ARG B 140 -3.066 15.166 -22.171 1.00 53.00 N ATOM 1421 CA ARG B 140 -2.240 15.885 -21.177 1.00 10.33 C ATOM 1422 C ARG B 140 -1.144 14.948 -20.612 1.00 43.12 C ATOM 1423 O ARG B 140 -1.137 13.751 -20.931 1.00 64.31 O ATOM 1424 CB ARG B 140 -3.160 16.413 -20.015 1.00 33.43 C ATOM 1425 CG ARG B 140 -2.546 17.574 -19.184 1.00 75.41 C ATOM 1426 CD ARG B 140 -3.377 17.956 -17.944 1.00 41.51 C ATOM 1427 NE ARG B 140 -2.676 18.936 -17.085 1.00 32.23 N ATOM 1428 CZ ARG B 140 -1.683 18.634 -16.235 1.00 0.05 C ATOM 1429 NH1 ARG B 140 -1.250 17.384 -16.100 1.00 73.23 N ATOM 1430 NH2 ARG B 140 -1.119 19.605 -15.527 1.00 54.41 N ATOM 0 H ARG B 140 -3.987 14.905 -21.820 1.00 53.00 H new ATOM 0 HA ARG B 140 -1.752 16.732 -21.660 1.00 10.33 H new ATOM 0 HB2 ARG B 140 -4.105 16.748 -20.441 1.00 33.43 H new ATOM 0 HB3 ARG B 140 -3.389 15.585 -19.345 1.00 33.43 H new ATOM 0 HG2 ARG B 140 -1.543 17.290 -18.865 1.00 75.41 H new ATOM 0 HG3 ARG B 140 -2.440 18.450 -19.824 1.00 75.41 H new ATOM 0 HD2 ARG B 140 -4.333 18.372 -18.263 1.00 41.51 H new ATOM 0 HD3 ARG B 140 -3.597 17.059 -17.365 1.00 41.51 H new ATOM 0 HE ARG B 140 -2.969 19.911 -17.143 1.00 32.23 H new ATOM 0 HH11 ARG B 140 -1.674 16.635 -16.648 1.00 73.23 H new ATOM 0 HH12 ARG B 140 -0.494 17.174 -15.449 1.00 73.23 H new ATOM 0 HH21 ARG B 140 -1.442 20.567 -15.633 1.00 54.41 H new ATOM 0 HH22 ARG B 140 -0.363 19.389 -14.877 1.00 54.41 H new ATOM 1444 N GLN B 141 -0.243 15.530 -19.775 1.00 12.51 N ATOM 1445 CA GLN B 141 0.792 14.850 -18.937 1.00 43.55 C ATOM 1446 C GLN B 141 1.785 13.959 -19.728 1.00 42.03 C ATOM 1447 O GLN B 141 2.982 14.297 -19.795 1.00 23.44 O ATOM 1448 CB GLN B 141 0.202 14.131 -17.658 1.00 70.22 C ATOM 1449 CG GLN B 141 -0.909 13.078 -17.891 1.00 45.33 C ATOM 1450 CD GLN B 141 -1.419 12.423 -16.605 1.00 11.52 C ATOM 1451 OE1 GLN B 141 -0.660 12.210 -15.669 1.00 20.24 O ATOM 1452 NE2 GLN B 141 -2.708 12.121 -16.538 1.00 11.24 N ATOM 0 H GLN B 141 -0.215 16.543 -19.658 1.00 12.51 H new ATOM 0 HA GLN B 141 1.401 15.673 -18.562 1.00 43.55 H new ATOM 0 HB2 GLN B 141 1.025 13.645 -17.134 1.00 70.22 H new ATOM 0 HB3 GLN B 141 -0.193 14.897 -16.991 1.00 70.22 H new ATOM 0 HG2 GLN B 141 -1.746 13.554 -18.402 1.00 45.33 H new ATOM 0 HG3 GLN B 141 -0.528 12.303 -18.556 1.00 45.33 H new ATOM 0 HE21 GLN B 141 -3.318 12.310 -17.333 1.00 11.24 H new ATOM 0 HE22 GLN B 141 -3.090 11.700 -15.691 1.00 11.24 H new ATOM 1461 N GLU B 142 1.290 12.837 -20.305 1.00 54.21 N ATOM 1462 CA GLU B 142 2.089 11.889 -21.108 1.00 34.12 C ATOM 1463 C GLU B 142 3.115 11.174 -20.200 1.00 72.43 C ATOM 1464 O GLU B 142 4.264 11.601 -20.059 1.00 42.42 O ATOM 1465 CB GLU B 142 2.732 12.608 -22.341 1.00 33.32 C ATOM 1466 CG GLU B 142 3.507 11.706 -23.311 1.00 22.05 C ATOM 1467 CD GLU B 142 4.085 12.498 -24.495 1.00 51.45 C ATOM 1468 OE1 GLU B 142 5.173 13.107 -24.346 1.00 33.04 O ATOM 1469 OE2 GLU B 142 3.452 12.542 -25.575 1.00 44.41 O ATOM 0 H GLU B 142 0.311 12.565 -20.222 1.00 54.21 H new ATOM 0 HA GLU B 142 1.443 11.116 -21.524 1.00 34.12 H new ATOM 0 HB2 GLU B 142 1.941 13.112 -22.897 1.00 33.32 H new ATOM 0 HB3 GLU B 142 3.408 13.381 -21.975 1.00 33.32 H new ATOM 0 HG2 GLU B 142 4.317 11.210 -22.776 1.00 22.05 H new ATOM 0 HG3 GLU B 142 2.846 10.924 -23.686 1.00 22.05 H new ATOM 1476 N ARG B 143 2.626 10.128 -19.528 1.00 23.24 N ATOM 1477 CA ARG B 143 3.382 9.347 -18.534 1.00 1.33 C ATOM 1478 C ARG B 143 4.426 8.447 -19.204 1.00 42.13 C ATOM 1479 O ARG B 143 5.545 8.295 -18.700 1.00 31.32 O ATOM 1480 CB ARG B 143 2.396 8.499 -17.697 1.00 20.52 C ATOM 1481 CG ARG B 143 1.323 9.330 -16.963 1.00 60.13 C ATOM 1482 CD ARG B 143 1.905 10.241 -15.870 1.00 32.10 C ATOM 1483 NE ARG B 143 2.483 9.474 -14.746 1.00 73.25 N ATOM 1484 CZ ARG B 143 2.004 9.477 -13.485 1.00 10.22 C ATOM 1485 NH1 ARG B 143 0.935 10.205 -13.163 1.00 4.02 N ATOM 1486 NH2 ARG B 143 2.587 8.731 -12.551 1.00 33.05 N ATOM 0 H ARG B 143 1.673 9.790 -19.660 1.00 23.24 H new ATOM 0 HA ARG B 143 3.918 10.038 -17.883 1.00 1.33 H new ATOM 0 HB2 ARG B 143 1.901 7.783 -18.353 1.00 20.52 H new ATOM 0 HB3 ARG B 143 2.960 7.923 -16.963 1.00 20.52 H new ATOM 0 HG2 ARG B 143 0.787 9.941 -17.689 1.00 60.13 H new ATOM 0 HG3 ARG B 143 0.594 8.655 -16.514 1.00 60.13 H new ATOM 0 HD2 ARG B 143 2.674 10.879 -16.304 1.00 32.10 H new ATOM 0 HD3 ARG B 143 1.121 10.898 -15.493 1.00 32.10 H new ATOM 0 HE ARG B 143 3.304 8.900 -14.938 1.00 73.25 H new ATOM 0 HH11 ARG B 143 0.469 10.769 -13.874 1.00 4.02 H new ATOM 0 HH12 ARG B 143 0.583 10.198 -12.206 1.00 4.02 H new ATOM 0 HH21 ARG B 143 3.396 8.157 -12.788 1.00 33.05 H new ATOM 0 HH22 ARG B 143 2.225 8.733 -11.597 1.00 33.05 H new ATOM 1500 N PHE B 144 4.022 7.823 -20.323 1.00 51.01 N ATOM 1501 CA PHE B 144 4.916 7.004 -21.147 1.00 24.45 C ATOM 1502 C PHE B 144 5.884 7.923 -21.932 1.00 61.24 C ATOM 1503 O PHE B 144 5.416 8.690 -22.800 1.00 75.33 O ATOM 1504 CB PHE B 144 4.104 6.070 -22.094 1.00 15.42 C ATOM 1505 CG PHE B 144 4.967 5.183 -22.996 1.00 33.42 C ATOM 1506 CD1 PHE B 144 4.810 5.185 -24.386 1.00 12.32 C ATOM 1507 CD2 PHE B 144 5.965 4.368 -22.449 1.00 0.34 C ATOM 1508 CE1 PHE B 144 5.621 4.404 -25.191 1.00 34.32 C ATOM 1509 CE2 PHE B 144 6.770 3.589 -23.256 1.00 13.14 C ATOM 1510 CZ PHE B 144 6.597 3.607 -24.625 1.00 51.34 C ATOM 0 H PHE B 144 3.067 7.874 -20.678 1.00 51.01 H new ATOM 0 HA PHE B 144 5.508 6.357 -20.500 1.00 24.45 H new ATOM 0 HB2 PHE B 144 3.457 5.434 -21.490 1.00 15.42 H new ATOM 0 HB3 PHE B 144 3.455 6.682 -22.720 1.00 15.42 H new ATOM 0 HD1 PHE B 144 4.047 5.803 -24.836 1.00 12.32 H new ATOM 0 HD2 PHE B 144 6.108 4.348 -21.379 1.00 0.34 H new ATOM 0 HE1 PHE B 144 5.491 4.418 -26.263 1.00 34.32 H new ATOM 0 HE2 PHE B 144 7.535 2.966 -22.816 1.00 13.14 H new ATOM 0 HZ PHE B 144 7.226 2.996 -25.255 1.00 51.34 H new TER 1520 PHE B 144