USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1093 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 64 TYR OH : rot -163:sc= 1.66 USER MOD Set 1.2: A 81 ASN : amide:sc= 0.912 K(o=2.8,f=2.1) USER MOD Set 1.3: A 84 HIS : no HE2:sc= -0.0445 K(o=2.8,f=-2.9!) USER MOD Set 1.4: A 99 HIS :FLIP no HE2:sc= -0.0225 F(o=2.1,f=2.8) USER MOD Set 1.5: A 114 SER OG : rot -125:sc= 0.207 USER MOD Set 1.6: A 115 TYR OH : rot 131:sc= 0.124 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0934 (180deg=-0.489) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.18 (180deg=0.421) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0505 K(o=-0.051,f=-1.8!) USER MOD Single : A 22 TYR OH : rot 96:sc= -1.05 USER MOD Single : A 24 GLN : amide:sc= 0.0718 K(o=0.072,f=-1.8) USER MOD Single : A 28 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.25) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.997 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 86:sc= 0.981 USER MOD Single : A 50 SER OG : rot -170:sc= 0.029 USER MOD Single : A 61 SER OG : rot -81:sc= 1.18 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc=-0.00106 (180deg=-0.118) USER MOD Single : A 70 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-3.4!) USER MOD Single : A 71 ASN : amide:sc= -0.0315 X(o=-0.031,f=-0.033) USER MOD Single : A 72 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.4) USER MOD Single : A 74 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.517 USER MOD Single : A 103 TYR OH : rot -61:sc= 0.828 USER MOD Single : A 104 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=-0.034) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot -136:sc= 0.524 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.37 F(o=-2.9,f=-1.4) USER MOD Single : A 118 SER OG : rot -83:sc= 1.03 USER MOD Single : A 121 TYR OH : rot 70:sc= -0.385 USER MOD Single : A 122 THR OG1 : rot 84:sc= 0.375 USER MOD Single : A 124 SER OG : rot 110:sc= 0.836 USER MOD Single : A 128 ASN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.045) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.9) USER MOD Single : A 141 HIS : no HE2:sc= -0.898 X(o=-0.9,f=-1.2) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.476 -9.930 -9.935 1.00 72.35 N ATOM 2 CA MET A 1 13.289 -10.722 -10.352 1.00 43.32 C ATOM 3 C MET A 1 12.212 -10.673 -9.237 1.00 62.32 C ATOM 4 O MET A 1 12.427 -11.232 -8.161 1.00 25.23 O ATOM 5 CB MET A 1 13.721 -12.184 -10.671 1.00 31.40 C ATOM 6 CG MET A 1 12.604 -13.091 -11.210 1.00 33.02 C ATOM 7 SD MET A 1 13.189 -14.752 -11.628 1.00 22.42 S ATOM 8 CE MET A 1 14.339 -14.425 -12.963 1.00 2.45 C ATOM 0 H1 MET A 1 15.340 -10.384 -10.295 1.00 72.35 H new ATOM 0 H2 MET A 1 14.404 -8.967 -10.321 1.00 72.35 H new ATOM 0 H3 MET A 1 14.516 -9.885 -8.897 1.00 72.35 H new ATOM 0 HA MET A 1 12.855 -10.296 -11.256 1.00 43.32 H new ATOM 0 HB2 MET A 1 14.529 -12.156 -11.402 1.00 31.40 H new ATOM 0 HB3 MET A 1 14.126 -12.633 -9.764 1.00 31.40 H new ATOM 0 HG2 MET A 1 11.812 -13.167 -10.465 1.00 33.02 H new ATOM 0 HG3 MET A 1 12.165 -12.632 -12.096 1.00 33.02 H new ATOM 0 HE1 MET A 1 14.524 -15.345 -13.518 1.00 2.45 H new ATOM 0 HE2 MET A 1 13.916 -13.676 -13.633 1.00 2.45 H new ATOM 0 HE3 MET A 1 15.278 -14.054 -12.552 1.00 2.45 H new ATOM 20 N PRO A 2 11.037 -9.991 -9.463 1.00 1.40 N ATOM 21 CA PRO A 2 10.016 -9.785 -8.396 1.00 65.32 C ATOM 22 C PRO A 2 9.164 -11.049 -8.077 1.00 23.13 C ATOM 23 O PRO A 2 9.332 -12.113 -8.684 1.00 74.31 O ATOM 24 CB PRO A 2 9.156 -8.635 -8.977 1.00 33.21 C ATOM 25 CG PRO A 2 9.210 -8.845 -10.462 1.00 74.54 C ATOM 26 CD PRO A 2 10.606 -9.376 -10.756 1.00 65.52 C ATOM 0 HA PRO A 2 10.471 -9.559 -7.431 1.00 65.32 H new ATOM 0 HB2 PRO A 2 8.132 -8.678 -8.606 1.00 33.21 H new ATOM 0 HB3 PRO A 2 9.555 -7.660 -8.698 1.00 33.21 H new ATOM 0 HG2 PRO A 2 8.447 -9.553 -10.785 1.00 74.54 H new ATOM 0 HG3 PRO A 2 9.026 -7.913 -10.996 1.00 74.54 H new ATOM 0 HD2 PRO A 2 10.593 -10.109 -11.562 1.00 65.52 H new ATOM 0 HD3 PRO A 2 11.281 -8.577 -11.063 1.00 65.52 H new ATOM 34 N LEU A 3 8.260 -10.905 -7.093 1.00 52.33 N ATOM 35 CA LEU A 3 7.361 -11.987 -6.635 1.00 3.03 C ATOM 36 C LEU A 3 6.002 -11.862 -7.366 1.00 65.03 C ATOM 37 O LEU A 3 5.394 -10.796 -7.351 1.00 45.14 O ATOM 38 CB LEU A 3 7.183 -11.882 -5.082 1.00 54.40 C ATOM 39 CG LEU A 3 6.752 -13.179 -4.298 1.00 73.03 C ATOM 40 CD1 LEU A 3 6.783 -12.935 -2.779 1.00 14.10 C ATOM 41 CD2 LEU A 3 5.370 -13.733 -4.721 1.00 50.11 C ATOM 0 H LEU A 3 8.129 -10.029 -6.587 1.00 52.33 H new ATOM 0 HA LEU A 3 7.787 -12.963 -6.868 1.00 3.03 H new ATOM 0 HB2 LEU A 3 8.126 -11.535 -4.660 1.00 54.40 H new ATOM 0 HB3 LEU A 3 6.441 -11.109 -4.882 1.00 54.40 H new ATOM 0 HG LEU A 3 7.485 -13.942 -4.562 1.00 73.03 H new ATOM 0 HD11 LEU A 3 6.482 -13.844 -2.258 1.00 14.10 H new ATOM 0 HD12 LEU A 3 7.793 -12.661 -2.475 1.00 14.10 H new ATOM 0 HD13 LEU A 3 6.096 -12.127 -2.526 1.00 14.10 H new ATOM 0 HD21 LEU A 3 5.142 -14.625 -4.138 1.00 50.11 H new ATOM 0 HD22 LEU A 3 4.605 -12.977 -4.542 1.00 50.11 H new ATOM 0 HD23 LEU A 3 5.389 -13.987 -5.781 1.00 50.11 H new ATOM 53 N GLU A 4 5.533 -12.964 -7.972 1.00 34.33 N ATOM 54 CA GLU A 4 4.196 -13.037 -8.621 1.00 41.21 C ATOM 55 C GLU A 4 3.339 -14.123 -7.936 1.00 14.12 C ATOM 56 O GLU A 4 3.842 -15.215 -7.626 1.00 62.15 O ATOM 57 CB GLU A 4 4.327 -13.390 -10.131 1.00 72.53 C ATOM 58 CG GLU A 4 2.974 -13.547 -10.886 1.00 62.25 C ATOM 59 CD GLU A 4 3.078 -14.407 -12.162 1.00 33.41 C ATOM 60 OE1 GLU A 4 3.025 -15.656 -12.053 1.00 72.14 O ATOM 61 OE2 GLU A 4 3.205 -13.846 -13.273 1.00 63.23 O ATOM 0 H GLU A 4 6.063 -13.834 -8.031 1.00 34.33 H new ATOM 0 HA GLU A 4 3.722 -12.060 -8.521 1.00 41.21 H new ATOM 0 HB2 GLU A 4 4.912 -12.612 -10.622 1.00 72.53 H new ATOM 0 HB3 GLU A 4 4.889 -14.319 -10.225 1.00 72.53 H new ATOM 0 HG2 GLU A 4 2.242 -13.995 -10.214 1.00 62.25 H new ATOM 0 HG3 GLU A 4 2.599 -12.559 -11.153 1.00 62.25 H new ATOM 68 N TRP A 5 2.051 -13.826 -7.693 1.00 63.05 N ATOM 69 CA TRP A 5 1.070 -14.842 -7.282 1.00 65.14 C ATOM 70 C TRP A 5 0.211 -15.279 -8.480 1.00 42.35 C ATOM 71 O TRP A 5 -0.200 -14.464 -9.300 1.00 33.11 O ATOM 72 CB TRP A 5 0.144 -14.357 -6.141 1.00 62.55 C ATOM 73 CG TRP A 5 -0.623 -15.506 -5.518 1.00 55.11 C ATOM 74 CD1 TRP A 5 -0.072 -16.557 -4.845 1.00 51.13 C ATOM 75 CD2 TRP A 5 -2.037 -15.741 -5.528 1.00 72.32 C ATOM 76 NE1 TRP A 5 -1.042 -17.433 -4.463 1.00 13.13 N ATOM 77 CE2 TRP A 5 -2.256 -16.957 -4.856 1.00 34.33 C ATOM 78 CE3 TRP A 5 -3.138 -15.048 -6.037 1.00 45.24 C ATOM 79 CZ2 TRP A 5 -3.521 -17.501 -4.684 1.00 73.24 C ATOM 80 CZ3 TRP A 5 -4.398 -15.589 -5.862 1.00 42.53 C ATOM 81 CH2 TRP A 5 -4.579 -16.806 -5.190 1.00 21.53 C ATOM 0 H TRP A 5 1.665 -12.886 -7.775 1.00 63.05 H new ATOM 0 HA TRP A 5 1.646 -15.687 -6.905 1.00 65.14 H new ATOM 0 HB2 TRP A 5 0.739 -13.859 -5.376 1.00 62.55 H new ATOM 0 HB3 TRP A 5 -0.558 -13.619 -6.530 1.00 62.55 H new ATOM 0 HD1 TRP A 5 0.982 -16.677 -4.644 1.00 51.13 H new ATOM 0 HE1 TRP A 5 -0.884 -18.307 -3.962 1.00 13.13 H new ATOM 0 HE3 TRP A 5 -3.008 -14.110 -6.556 1.00 45.24 H new ATOM 0 HZ2 TRP A 5 -3.662 -18.440 -4.169 1.00 73.24 H new ATOM 0 HZ3 TRP A 5 -5.259 -15.065 -6.250 1.00 42.53 H new ATOM 0 HH2 TRP A 5 -5.577 -17.201 -5.071 1.00 21.53 H new ATOM 92 N ARG A 6 -0.052 -16.576 -8.556 1.00 64.11 N ATOM 93 CA ARG A 6 -0.947 -17.174 -9.559 1.00 4.22 C ATOM 94 C ARG A 6 -1.866 -18.213 -8.875 1.00 4.52 C ATOM 95 O ARG A 6 -1.616 -18.608 -7.730 1.00 34.43 O ATOM 96 CB ARG A 6 -0.138 -17.793 -10.742 1.00 1.40 C ATOM 97 CG ARG A 6 0.933 -18.848 -10.362 1.00 73.01 C ATOM 98 CD ARG A 6 2.201 -18.240 -9.728 1.00 43.13 C ATOM 99 NE ARG A 6 3.170 -19.273 -9.345 1.00 74.14 N ATOM 100 CZ ARG A 6 4.082 -19.161 -8.409 1.00 20.34 C ATOM 101 NH1 ARG A 6 4.210 -18.077 -7.701 1.00 73.14 N ATOM 102 NH2 ARG A 6 4.866 -20.151 -8.173 1.00 25.10 N ATOM 0 H ARG A 6 0.353 -17.260 -7.917 1.00 64.11 H new ATOM 0 HA ARG A 6 -1.574 -16.394 -9.991 1.00 4.22 H new ATOM 0 HB2 ARG A 6 -0.842 -18.254 -11.434 1.00 1.40 H new ATOM 0 HB3 ARG A 6 0.355 -16.983 -11.281 1.00 1.40 H new ATOM 0 HG2 ARG A 6 0.496 -19.563 -9.665 1.00 73.01 H new ATOM 0 HG3 ARG A 6 1.215 -19.405 -11.255 1.00 73.01 H new ATOM 0 HD2 ARG A 6 2.665 -17.551 -10.433 1.00 43.13 H new ATOM 0 HD3 ARG A 6 1.924 -17.658 -8.849 1.00 43.13 H new ATOM 0 HE ARG A 6 3.131 -20.157 -9.852 1.00 74.14 H new ATOM 0 HH11 ARG A 6 3.591 -17.283 -7.867 1.00 73.14 H new ATOM 0 HH12 ARG A 6 4.929 -18.021 -6.980 1.00 73.14 H new ATOM 0 HH21 ARG A 6 4.776 -21.013 -8.711 1.00 25.10 H new ATOM 0 HH22 ARG A 6 5.579 -20.075 -7.447 1.00 25.10 H new ATOM 116 N ALA A 7 -2.918 -18.659 -9.579 1.00 61.11 N ATOM 117 CA ALA A 7 -3.881 -19.639 -9.026 1.00 15.13 C ATOM 118 C ALA A 7 -3.204 -21.019 -8.806 1.00 61.32 C ATOM 119 O ALA A 7 -2.537 -21.543 -9.704 1.00 61.22 O ATOM 120 CB ALA A 7 -5.099 -19.756 -9.953 1.00 24.32 C ATOM 0 H ALA A 7 -3.128 -18.360 -10.531 1.00 61.11 H new ATOM 0 HA ALA A 7 -4.222 -19.286 -8.053 1.00 15.13 H new ATOM 0 HB1 ALA A 7 -5.803 -20.479 -9.540 1.00 24.32 H new ATOM 0 HB2 ALA A 7 -5.585 -18.784 -10.039 1.00 24.32 H new ATOM 0 HB3 ALA A 7 -4.775 -20.088 -10.939 1.00 24.32 H new ATOM 126 N GLY A 8 -3.381 -21.593 -7.600 1.00 31.52 N ATOM 127 CA GLY A 8 -2.731 -22.863 -7.230 1.00 33.43 C ATOM 128 C GLY A 8 -1.338 -22.718 -6.586 1.00 42.35 C ATOM 129 O GLY A 8 -0.750 -23.730 -6.182 1.00 1.22 O ATOM 0 H GLY A 8 -3.969 -21.197 -6.867 1.00 31.52 H new ATOM 0 HA2 GLY A 8 -3.381 -23.398 -6.538 1.00 33.43 H new ATOM 0 HA3 GLY A 8 -2.639 -23.481 -8.123 1.00 33.43 H new ATOM 133 N ALA A 9 -0.802 -21.474 -6.489 1.00 74.22 N ATOM 134 CA ALA A 9 0.531 -21.208 -5.869 1.00 14.05 C ATOM 135 C ALA A 9 0.560 -21.582 -4.358 1.00 65.21 C ATOM 136 O ALA A 9 -0.470 -21.517 -3.675 1.00 13.21 O ATOM 137 CB ALA A 9 0.946 -19.743 -6.081 1.00 20.44 C ATOM 0 H ALA A 9 -1.270 -20.635 -6.832 1.00 74.22 H new ATOM 0 HA ALA A 9 1.256 -21.850 -6.370 1.00 14.05 H new ATOM 0 HB1 ALA A 9 1.919 -19.570 -5.622 1.00 20.44 H new ATOM 0 HB2 ALA A 9 1.006 -19.533 -7.149 1.00 20.44 H new ATOM 0 HB3 ALA A 9 0.207 -19.086 -5.623 1.00 20.44 H new ATOM 143 N SER A 10 1.759 -21.922 -3.842 1.00 72.23 N ATOM 144 CA SER A 10 1.923 -22.604 -2.525 1.00 70.43 C ATOM 145 C SER A 10 1.878 -21.626 -1.326 1.00 50.52 C ATOM 146 O SER A 10 2.126 -20.425 -1.478 1.00 4.13 O ATOM 147 CB SER A 10 3.258 -23.392 -2.519 1.00 33.20 C ATOM 148 OG SER A 10 3.269 -24.393 -3.530 1.00 55.30 O ATOM 0 H SER A 10 2.642 -21.736 -4.318 1.00 72.23 H new ATOM 0 HA SER A 10 1.079 -23.283 -2.403 1.00 70.43 H new ATOM 0 HB2 SER A 10 4.090 -22.705 -2.675 1.00 33.20 H new ATOM 0 HB3 SER A 10 3.406 -23.855 -1.543 1.00 33.20 H new ATOM 0 HG SER A 10 4.123 -24.874 -3.505 1.00 55.30 H new ATOM 154 N SER A 11 1.581 -22.186 -0.127 1.00 43.43 N ATOM 155 CA SER A 11 1.390 -21.413 1.134 1.00 41.23 C ATOM 156 C SER A 11 2.633 -20.591 1.530 1.00 72.30 C ATOM 157 O SER A 11 2.501 -19.469 2.020 1.00 75.15 O ATOM 158 CB SER A 11 1.018 -22.362 2.296 1.00 24.31 C ATOM 159 OG SER A 11 2.059 -23.285 2.579 1.00 31.41 O ATOM 0 H SER A 11 1.466 -23.192 -0.003 1.00 43.43 H new ATOM 0 HA SER A 11 0.578 -20.711 0.943 1.00 41.23 H new ATOM 0 HB2 SER A 11 0.800 -21.775 3.188 1.00 24.31 H new ATOM 0 HB3 SER A 11 0.108 -22.907 2.043 1.00 24.31 H new ATOM 0 HG SER A 11 1.788 -23.867 3.320 1.00 31.41 H new ATOM 165 N ASP A 12 3.833 -21.171 1.317 1.00 22.42 N ATOM 166 CA ASP A 12 5.123 -20.486 1.581 1.00 33.41 C ATOM 167 C ASP A 12 5.248 -19.184 0.761 1.00 11.35 C ATOM 168 O ASP A 12 5.707 -18.163 1.274 1.00 13.33 O ATOM 169 CB ASP A 12 6.312 -21.422 1.256 1.00 32.34 C ATOM 170 CG ASP A 12 6.307 -22.684 2.122 1.00 43.20 C ATOM 171 OD1 ASP A 12 5.630 -23.663 1.753 1.00 44.33 O ATOM 172 OD2 ASP A 12 6.954 -22.694 3.192 1.00 70.13 O ATOM 0 H ASP A 12 3.939 -22.121 0.960 1.00 22.42 H new ATOM 0 HA ASP A 12 5.146 -20.229 2.640 1.00 33.41 H new ATOM 0 HB2 ASP A 12 6.273 -21.705 0.204 1.00 32.34 H new ATOM 0 HB3 ASP A 12 7.248 -20.884 1.406 1.00 32.34 H new ATOM 177 N GLU A 13 4.813 -19.242 -0.509 1.00 13.01 N ATOM 178 CA GLU A 13 4.857 -18.088 -1.427 1.00 14.02 C ATOM 179 C GLU A 13 3.830 -17.005 -1.041 1.00 52.42 C ATOM 180 O GLU A 13 4.128 -15.822 -1.148 1.00 51.34 O ATOM 181 CB GLU A 13 4.621 -18.538 -2.888 1.00 21.53 C ATOM 182 CG GLU A 13 5.641 -19.567 -3.406 1.00 65.12 C ATOM 183 CD GLU A 13 5.479 -19.832 -4.906 1.00 2.53 C ATOM 184 OE1 GLU A 13 4.684 -20.724 -5.284 1.00 12.11 O ATOM 185 OE2 GLU A 13 6.124 -19.115 -5.718 1.00 21.01 O ATOM 0 H GLU A 13 4.422 -20.086 -0.928 1.00 13.01 H new ATOM 0 HA GLU A 13 5.853 -17.653 -1.343 1.00 14.02 H new ATOM 0 HB2 GLU A 13 3.621 -18.964 -2.968 1.00 21.53 H new ATOM 0 HB3 GLU A 13 4.647 -17.661 -3.535 1.00 21.53 H new ATOM 0 HG2 GLU A 13 6.651 -19.207 -3.209 1.00 65.12 H new ATOM 0 HG3 GLU A 13 5.523 -20.502 -2.858 1.00 65.12 H new ATOM 192 N ILE A 14 2.629 -17.423 -0.587 1.00 64.33 N ATOM 193 CA ILE A 14 1.559 -16.479 -0.173 1.00 2.12 C ATOM 194 C ILE A 14 1.939 -15.749 1.143 1.00 32.23 C ATOM 195 O ILE A 14 1.701 -14.550 1.284 1.00 4.13 O ATOM 196 CB ILE A 14 0.163 -17.198 -0.030 1.00 54.13 C ATOM 197 CG1 ILE A 14 -0.171 -17.977 -1.342 1.00 1.23 C ATOM 198 CG2 ILE A 14 -0.964 -16.184 0.310 1.00 51.03 C ATOM 199 CD1 ILE A 14 -1.550 -18.617 -1.394 1.00 4.12 C ATOM 0 H ILE A 14 2.373 -18.406 -0.497 1.00 64.33 H new ATOM 0 HA ILE A 14 1.464 -15.735 -0.964 1.00 2.12 H new ATOM 0 HB ILE A 14 0.226 -17.906 0.796 1.00 54.13 H new ATOM 0 HG12 ILE A 14 -0.076 -17.292 -2.184 1.00 1.23 H new ATOM 0 HG13 ILE A 14 0.577 -18.757 -1.480 1.00 1.23 H new ATOM 0 HG21 ILE A 14 -1.913 -16.712 0.402 1.00 51.03 H new ATOM 0 HG22 ILE A 14 -0.733 -15.686 1.252 1.00 51.03 H new ATOM 0 HG23 ILE A 14 -1.037 -15.441 -0.485 1.00 51.03 H new ATOM 0 HD11 ILE A 14 -1.677 -19.131 -2.347 1.00 4.12 H new ATOM 0 HD12 ILE A 14 -1.649 -19.334 -0.579 1.00 4.12 H new ATOM 0 HD13 ILE A 14 -2.313 -17.845 -1.294 1.00 4.12 H new ATOM 211 N ASN A 15 2.546 -16.487 2.087 1.00 72.41 N ATOM 212 CA ASN A 15 3.127 -15.904 3.325 1.00 41.43 C ATOM 213 C ASN A 15 4.349 -15.007 3.011 1.00 0.23 C ATOM 214 O ASN A 15 4.614 -14.036 3.727 1.00 23.24 O ATOM 215 CB ASN A 15 3.515 -17.024 4.323 1.00 74.22 C ATOM 216 CG ASN A 15 2.310 -17.785 4.882 1.00 13.32 C ATOM 217 OD1 ASN A 15 1.273 -17.927 4.234 1.00 51.45 O ATOM 218 ND2 ASN A 15 2.435 -18.292 6.092 1.00 45.31 N ATOM 0 H ASN A 15 2.652 -17.499 2.022 1.00 72.41 H new ATOM 0 HA ASN A 15 2.365 -15.275 3.785 1.00 41.43 H new ATOM 0 HB2 ASN A 15 4.181 -17.729 3.826 1.00 74.22 H new ATOM 0 HB3 ASN A 15 4.074 -16.586 5.150 1.00 74.22 H new ATOM 0 HD21 ASN A 15 1.664 -18.814 6.509 1.00 45.31 H new ATOM 0 HD22 ASN A 15 3.303 -18.163 6.612 1.00 45.31 H new ATOM 225 N ALA A 16 5.089 -15.355 1.936 1.00 4.22 N ATOM 226 CA ALA A 16 6.203 -14.526 1.416 1.00 14.45 C ATOM 227 C ALA A 16 5.681 -13.210 0.792 1.00 15.14 C ATOM 228 O ALA A 16 6.357 -12.182 0.856 1.00 12.11 O ATOM 229 CB ALA A 16 7.035 -15.312 0.393 1.00 2.50 C ATOM 0 H ALA A 16 4.934 -16.212 1.406 1.00 4.22 H new ATOM 0 HA ALA A 16 6.844 -14.267 2.259 1.00 14.45 H new ATOM 0 HB1 ALA A 16 7.847 -14.684 0.025 1.00 2.50 H new ATOM 0 HB2 ALA A 16 7.450 -16.201 0.868 1.00 2.50 H new ATOM 0 HB3 ALA A 16 6.400 -15.610 -0.441 1.00 2.50 H new ATOM 235 N ILE A 17 4.471 -13.263 0.175 1.00 62.41 N ATOM 236 CA ILE A 17 3.749 -12.054 -0.292 1.00 11.50 C ATOM 237 C ILE A 17 3.415 -11.168 0.909 1.00 63.41 C ATOM 238 O ILE A 17 3.782 -10.012 0.928 1.00 73.52 O ATOM 239 CB ILE A 17 2.410 -12.400 -1.046 1.00 4.24 C ATOM 240 CG1 ILE A 17 2.686 -13.268 -2.294 1.00 53.23 C ATOM 241 CG2 ILE A 17 1.609 -11.125 -1.439 1.00 65.14 C ATOM 242 CD1 ILE A 17 1.443 -13.840 -2.936 1.00 52.24 C ATOM 0 H ILE A 17 3.975 -14.135 -0.010 1.00 62.41 H new ATOM 0 HA ILE A 17 4.406 -11.540 -0.994 1.00 11.50 H new ATOM 0 HB ILE A 17 1.795 -12.971 -0.350 1.00 4.24 H new ATOM 0 HG12 ILE A 17 3.218 -12.667 -3.031 1.00 53.23 H new ATOM 0 HG13 ILE A 17 3.347 -14.088 -2.014 1.00 53.23 H new ATOM 0 HG21 ILE A 17 0.694 -11.415 -1.956 1.00 65.14 H new ATOM 0 HG22 ILE A 17 1.355 -10.563 -0.540 1.00 65.14 H new ATOM 0 HG23 ILE A 17 2.216 -10.502 -2.097 1.00 65.14 H new ATOM 0 HD11 ILE A 17 1.723 -14.436 -3.804 1.00 52.24 H new ATOM 0 HD12 ILE A 17 0.919 -14.470 -2.217 1.00 52.24 H new ATOM 0 HD13 ILE A 17 0.789 -13.027 -3.250 1.00 52.24 H new ATOM 254 N ILE A 18 2.746 -11.754 1.920 1.00 54.11 N ATOM 255 CA ILE A 18 2.349 -11.035 3.151 1.00 32.54 C ATOM 256 C ILE A 18 3.576 -10.346 3.817 1.00 71.21 C ATOM 257 O ILE A 18 3.521 -9.173 4.154 1.00 12.54 O ATOM 258 CB ILE A 18 1.637 -12.001 4.176 1.00 65.40 C ATOM 259 CG1 ILE A 18 0.384 -12.674 3.522 1.00 5.14 C ATOM 260 CG2 ILE A 18 1.246 -11.247 5.472 1.00 33.25 C ATOM 261 CD1 ILE A 18 -0.317 -13.721 4.383 1.00 51.14 C ATOM 0 H ILE A 18 2.465 -12.735 1.909 1.00 54.11 H new ATOM 0 HA ILE A 18 1.636 -10.263 2.862 1.00 32.54 H new ATOM 0 HB ILE A 18 2.343 -12.786 4.447 1.00 65.40 H new ATOM 0 HG12 ILE A 18 -0.335 -11.895 3.268 1.00 5.14 H new ATOM 0 HG13 ILE A 18 0.690 -13.142 2.587 1.00 5.14 H new ATOM 0 HG21 ILE A 18 0.757 -11.936 6.161 1.00 33.25 H new ATOM 0 HG22 ILE A 18 2.142 -10.840 5.941 1.00 33.25 H new ATOM 0 HG23 ILE A 18 0.563 -10.433 5.228 1.00 33.25 H new ATOM 0 HD11 ILE A 18 -1.171 -14.126 3.840 1.00 51.14 H new ATOM 0 HD12 ILE A 18 0.380 -14.526 4.616 1.00 51.14 H new ATOM 0 HD13 ILE A 18 -0.662 -13.260 5.308 1.00 51.14 H new ATOM 273 N ARG A 19 4.699 -11.079 3.913 1.00 3.43 N ATOM 274 CA ARG A 19 5.960 -10.573 4.514 1.00 2.44 C ATOM 275 C ARG A 19 6.535 -9.397 3.668 1.00 3.33 C ATOM 276 O ARG A 19 6.897 -8.354 4.221 1.00 23.42 O ATOM 277 CB ARG A 19 6.989 -11.756 4.632 1.00 55.33 C ATOM 278 CG ARG A 19 8.106 -11.632 5.713 1.00 55.21 C ATOM 279 CD ARG A 19 9.106 -10.478 5.487 1.00 51.40 C ATOM 280 NE ARG A 19 10.216 -10.488 6.462 1.00 42.43 N ATOM 281 CZ ARG A 19 10.739 -9.432 7.058 1.00 31.20 C ATOM 282 NH1 ARG A 19 10.186 -8.266 6.986 1.00 70.35 N ATOM 283 NH2 ARG A 19 11.804 -9.561 7.763 1.00 41.31 N ATOM 0 H ARG A 19 4.765 -12.040 3.578 1.00 3.43 H new ATOM 0 HA ARG A 19 5.760 -10.185 5.513 1.00 2.44 H new ATOM 0 HB2 ARG A 19 6.429 -12.670 4.830 1.00 55.33 H new ATOM 0 HB3 ARG A 19 7.471 -11.881 3.662 1.00 55.33 H new ATOM 0 HG2 ARG A 19 7.635 -11.499 6.687 1.00 55.21 H new ATOM 0 HG3 ARG A 19 8.659 -12.570 5.752 1.00 55.21 H new ATOM 0 HD2 ARG A 19 9.513 -10.547 4.478 1.00 51.40 H new ATOM 0 HD3 ARG A 19 8.578 -9.527 5.553 1.00 51.40 H new ATOM 0 HE ARG A 19 10.616 -11.396 6.697 1.00 42.43 H new ATOM 0 HH11 ARG A 19 9.322 -8.143 6.458 1.00 70.35 H new ATOM 0 HH12 ARG A 19 10.614 -7.469 7.457 1.00 70.35 H new ATOM 0 HH21 ARG A 19 12.243 -10.477 7.861 1.00 41.31 H new ATOM 0 HH22 ARG A 19 12.211 -8.748 8.225 1.00 41.31 H new ATOM 297 N ALA A 20 6.594 -9.584 2.333 1.00 40.43 N ATOM 298 CA ALA A 20 7.158 -8.584 1.386 1.00 61.52 C ATOM 299 C ALA A 20 6.311 -7.288 1.324 1.00 44.32 C ATOM 300 O ALA A 20 6.858 -6.188 1.353 1.00 24.22 O ATOM 301 CB ALA A 20 7.293 -9.202 -0.017 1.00 52.44 C ATOM 0 H ALA A 20 6.254 -10.430 1.876 1.00 40.43 H new ATOM 0 HA ALA A 20 8.144 -8.305 1.757 1.00 61.52 H new ATOM 0 HB1 ALA A 20 7.707 -8.462 -0.702 1.00 52.44 H new ATOM 0 HB2 ALA A 20 7.957 -10.066 0.028 1.00 52.44 H new ATOM 0 HB3 ALA A 20 6.312 -9.517 -0.372 1.00 52.44 H new ATOM 307 N VAL A 21 4.976 -7.453 1.259 1.00 54.24 N ATOM 308 CA VAL A 21 3.995 -6.342 1.240 1.00 53.20 C ATOM 309 C VAL A 21 4.109 -5.509 2.525 1.00 23.14 C ATOM 310 O VAL A 21 4.316 -4.311 2.477 1.00 73.24 O ATOM 311 CB VAL A 21 2.517 -6.888 1.116 1.00 32.23 C ATOM 312 CG1 VAL A 21 1.467 -5.775 1.338 1.00 33.51 C ATOM 313 CG2 VAL A 21 2.284 -7.590 -0.239 1.00 3.42 C ATOM 0 H VAL A 21 4.539 -8.374 1.217 1.00 54.24 H new ATOM 0 HA VAL A 21 4.219 -5.721 0.373 1.00 53.20 H new ATOM 0 HB VAL A 21 2.390 -7.626 1.908 1.00 32.23 H new ATOM 0 HG11 VAL A 21 0.466 -6.195 1.244 1.00 33.51 H new ATOM 0 HG12 VAL A 21 1.590 -5.352 2.335 1.00 33.51 H new ATOM 0 HG13 VAL A 21 1.604 -4.992 0.592 1.00 33.51 H new ATOM 0 HG21 VAL A 21 1.257 -7.953 -0.289 1.00 3.42 H new ATOM 0 HG22 VAL A 21 2.459 -6.883 -1.050 1.00 3.42 H new ATOM 0 HG23 VAL A 21 2.971 -8.431 -0.336 1.00 3.42 H new ATOM 323 N TYR A 22 4.011 -6.199 3.662 1.00 60.12 N ATOM 324 CA TYR A 22 4.106 -5.601 5.004 1.00 53.04 C ATOM 325 C TYR A 22 5.452 -4.845 5.222 1.00 13.43 C ATOM 326 O TYR A 22 5.471 -3.725 5.738 1.00 63.23 O ATOM 327 CB TYR A 22 3.943 -6.720 6.061 1.00 63.01 C ATOM 328 CG TYR A 22 2.516 -7.038 6.521 1.00 33.14 C ATOM 329 CD1 TYR A 22 1.537 -7.490 5.636 1.00 41.23 C ATOM 330 CD2 TYR A 22 2.168 -6.912 7.864 1.00 33.02 C ATOM 331 CE1 TYR A 22 0.271 -7.801 6.081 1.00 31.34 C ATOM 332 CE2 TYR A 22 0.912 -7.219 8.302 1.00 65.32 C ATOM 333 CZ TYR A 22 -0.033 -7.662 7.409 1.00 25.54 C ATOM 334 OH TYR A 22 -1.290 -7.956 7.855 1.00 54.00 O ATOM 0 H TYR A 22 3.861 -7.208 3.682 1.00 60.12 H new ATOM 0 HA TYR A 22 3.311 -4.862 5.106 1.00 53.04 H new ATOM 0 HB2 TYR A 22 4.381 -7.633 5.658 1.00 63.01 H new ATOM 0 HB3 TYR A 22 4.529 -6.446 6.938 1.00 63.01 H new ATOM 0 HD1 TYR A 22 1.775 -7.598 4.588 1.00 41.23 H new ATOM 0 HD2 TYR A 22 2.906 -6.565 8.572 1.00 33.02 H new ATOM 0 HE1 TYR A 22 -0.478 -8.152 5.386 1.00 31.34 H new ATOM 0 HE2 TYR A 22 0.662 -7.114 9.347 1.00 65.32 H new ATOM 0 HH TYR A 22 -1.309 -8.874 8.198 1.00 54.00 H new ATOM 344 N ARG A 23 6.567 -5.483 4.827 1.00 71.23 N ATOM 345 CA ARG A 23 7.931 -4.910 4.971 1.00 23.33 C ATOM 346 C ARG A 23 8.104 -3.667 4.072 1.00 33.23 C ATOM 347 O ARG A 23 8.813 -2.727 4.421 1.00 41.13 O ATOM 348 CB ARG A 23 8.997 -5.979 4.607 1.00 51.31 C ATOM 349 CG ARG A 23 10.455 -5.590 4.948 1.00 51.21 C ATOM 350 CD ARG A 23 11.475 -6.658 4.497 1.00 21.35 C ATOM 351 NE ARG A 23 12.812 -6.421 5.064 1.00 75.32 N ATOM 352 CZ ARG A 23 13.915 -7.050 4.720 1.00 4.12 C ATOM 353 NH1 ARG A 23 13.915 -7.983 3.814 1.00 61.31 N ATOM 354 NH2 ARG A 23 15.021 -6.748 5.310 1.00 1.12 N ATOM 0 H ARG A 23 6.556 -6.409 4.399 1.00 71.23 H new ATOM 0 HA ARG A 23 8.066 -4.605 6.009 1.00 23.33 H new ATOM 0 HB2 ARG A 23 8.753 -6.906 5.127 1.00 51.31 H new ATOM 0 HB3 ARG A 23 8.932 -6.186 3.539 1.00 51.31 H new ATOM 0 HG2 ARG A 23 10.695 -4.640 4.471 1.00 51.21 H new ATOM 0 HG3 ARG A 23 10.545 -5.438 6.024 1.00 51.21 H new ATOM 0 HD2 ARG A 23 11.123 -7.645 4.799 1.00 21.35 H new ATOM 0 HD3 ARG A 23 11.539 -6.661 3.409 1.00 21.35 H new ATOM 0 HE ARG A 23 12.890 -5.706 5.787 1.00 75.32 H new ATOM 0 HH11 ARG A 23 13.045 -8.244 3.350 1.00 61.31 H new ATOM 0 HH12 ARG A 23 14.785 -8.454 3.567 1.00 61.31 H new ATOM 0 HH21 ARG A 23 15.033 -6.029 6.034 1.00 1.12 H new ATOM 0 HH22 ARG A 23 15.884 -7.228 5.053 1.00 1.12 H new ATOM 368 N GLN A 24 7.440 -3.698 2.908 1.00 55.30 N ATOM 369 CA GLN A 24 7.444 -2.592 1.936 1.00 1.12 C ATOM 370 C GLN A 24 6.555 -1.407 2.407 1.00 5.12 C ATOM 371 O GLN A 24 6.954 -0.247 2.291 1.00 31.42 O ATOM 372 CB GLN A 24 6.994 -3.136 0.546 1.00 32.22 C ATOM 373 CG GLN A 24 6.936 -2.100 -0.595 1.00 24.11 C ATOM 374 CD GLN A 24 8.238 -1.317 -0.804 1.00 63.11 C ATOM 375 OE1 GLN A 24 9.337 -1.811 -0.566 1.00 33.12 O ATOM 376 NE2 GLN A 24 8.128 -0.096 -1.285 1.00 2.15 N ATOM 0 H GLN A 24 6.880 -4.497 2.611 1.00 55.30 H new ATOM 0 HA GLN A 24 8.456 -2.196 1.852 1.00 1.12 H new ATOM 0 HB2 GLN A 24 7.675 -3.934 0.252 1.00 32.22 H new ATOM 0 HB3 GLN A 24 6.006 -3.584 0.655 1.00 32.22 H new ATOM 0 HG2 GLN A 24 6.681 -2.613 -1.523 1.00 24.11 H new ATOM 0 HG3 GLN A 24 6.131 -1.395 -0.389 1.00 24.11 H new ATOM 0 HE21 GLN A 24 7.206 0.296 -1.476 1.00 2.15 H new ATOM 0 HE22 GLN A 24 8.965 0.458 -1.467 1.00 2.15 H new ATOM 385 N VAL A 25 5.370 -1.718 2.967 1.00 31.12 N ATOM 386 CA VAL A 25 4.377 -0.706 3.401 1.00 21.12 C ATOM 387 C VAL A 25 4.811 0.020 4.704 1.00 12.34 C ATOM 388 O VAL A 25 4.631 1.226 4.827 1.00 62.01 O ATOM 389 CB VAL A 25 2.939 -1.337 3.585 1.00 2.44 C ATOM 390 CG1 VAL A 25 1.941 -0.337 4.225 1.00 73.43 C ATOM 391 CG2 VAL A 25 2.379 -1.869 2.236 1.00 75.03 C ATOM 0 H VAL A 25 5.070 -2.679 3.133 1.00 31.12 H new ATOM 0 HA VAL A 25 4.329 0.034 2.602 1.00 21.12 H new ATOM 0 HB VAL A 25 3.052 -2.178 4.270 1.00 2.44 H new ATOM 0 HG11 VAL A 25 0.967 -0.814 4.332 1.00 73.43 H new ATOM 0 HG12 VAL A 25 2.307 -0.035 5.206 1.00 73.43 H new ATOM 0 HG13 VAL A 25 1.847 0.542 3.587 1.00 73.43 H new ATOM 0 HG21 VAL A 25 1.389 -2.297 2.396 1.00 75.03 H new ATOM 0 HG22 VAL A 25 2.309 -1.048 1.522 1.00 75.03 H new ATOM 0 HG23 VAL A 25 3.046 -2.636 1.842 1.00 75.03 H new ATOM 401 N LEU A 26 5.375 -0.709 5.678 1.00 11.13 N ATOM 402 CA LEU A 26 5.792 -0.106 6.975 1.00 15.01 C ATOM 403 C LEU A 26 7.313 0.202 7.015 1.00 72.41 C ATOM 404 O LEU A 26 7.771 0.945 7.879 1.00 52.34 O ATOM 405 CB LEU A 26 5.374 -0.998 8.182 1.00 3.42 C ATOM 406 CG LEU A 26 3.827 -1.193 8.407 1.00 25.14 C ATOM 407 CD1 LEU A 26 3.227 -2.271 7.473 1.00 11.21 C ATOM 408 CD2 LEU A 26 3.505 -1.489 9.891 1.00 40.23 C ATOM 0 H LEU A 26 5.556 -1.710 5.604 1.00 11.13 H new ATOM 0 HA LEU A 26 5.265 0.844 7.060 1.00 15.01 H new ATOM 0 HB2 LEU A 26 5.827 -1.981 8.053 1.00 3.42 H new ATOM 0 HB3 LEU A 26 5.799 -0.567 9.088 1.00 3.42 H new ATOM 0 HG LEU A 26 3.350 -0.249 8.144 1.00 25.14 H new ATOM 0 HD11 LEU A 26 2.159 -2.367 7.668 1.00 11.21 H new ATOM 0 HD12 LEU A 26 3.382 -1.979 6.434 1.00 11.21 H new ATOM 0 HD13 LEU A 26 3.717 -3.227 7.658 1.00 11.21 H new ATOM 0 HD21 LEU A 26 2.429 -1.618 10.011 1.00 40.23 H new ATOM 0 HD22 LEU A 26 4.017 -2.401 10.199 1.00 40.23 H new ATOM 0 HD23 LEU A 26 3.842 -0.657 10.509 1.00 40.23 H new ATOM 420 N GLY A 27 8.086 -0.378 6.087 1.00 13.24 N ATOM 421 CA GLY A 27 9.540 -0.116 5.998 1.00 70.24 C ATOM 422 C GLY A 27 10.381 -0.933 6.996 1.00 24.35 C ATOM 423 O GLY A 27 11.089 -1.865 6.603 1.00 25.05 O ATOM 0 H GLY A 27 7.736 -1.031 5.386 1.00 13.24 H new ATOM 0 HA2 GLY A 27 9.878 -0.337 4.986 1.00 70.24 H new ATOM 0 HA3 GLY A 27 9.720 0.945 6.169 1.00 70.24 H new ATOM 427 N ASN A 28 10.279 -0.590 8.299 1.00 44.22 N ATOM 428 CA ASN A 28 11.090 -1.209 9.386 1.00 31.34 C ATOM 429 C ASN A 28 10.470 -2.556 9.879 1.00 2.25 C ATOM 430 O ASN A 28 9.965 -2.655 11.003 1.00 55.33 O ATOM 431 CB ASN A 28 11.257 -0.183 10.555 1.00 71.52 C ATOM 432 CG ASN A 28 12.153 -0.673 11.710 1.00 74.11 C ATOM 433 OD1 ASN A 28 13.079 -1.454 11.514 1.00 20.33 O ATOM 434 ND2 ASN A 28 11.880 -0.229 12.925 1.00 32.10 N ATOM 0 H ASN A 28 9.633 0.125 8.633 1.00 44.22 H new ATOM 0 HA ASN A 28 12.076 -1.456 8.992 1.00 31.34 H new ATOM 0 HB2 ASN A 28 11.674 0.741 10.154 1.00 71.52 H new ATOM 0 HB3 ASN A 28 10.272 0.059 10.953 1.00 71.52 H new ATOM 0 HD21 ASN A 28 12.443 -0.535 13.718 1.00 32.10 H new ATOM 0 HD22 ASN A 28 11.106 0.420 13.069 1.00 32.10 H new ATOM 441 N ASP A 29 10.483 -3.569 8.984 1.00 32.23 N ATOM 442 CA ASP A 29 10.051 -4.966 9.272 1.00 41.15 C ATOM 443 C ASP A 29 8.655 -5.096 9.958 1.00 62.54 C ATOM 444 O ASP A 29 8.414 -6.070 10.677 1.00 12.40 O ATOM 445 CB ASP A 29 11.146 -5.710 10.087 1.00 74.35 C ATOM 446 CG ASP A 29 12.433 -5.940 9.284 1.00 14.25 C ATOM 447 OD1 ASP A 29 12.368 -6.635 8.244 1.00 40.31 O ATOM 448 OD2 ASP A 29 13.509 -5.451 9.688 1.00 3.11 O ATOM 0 H ASP A 29 10.799 -3.442 8.022 1.00 32.23 H new ATOM 0 HA ASP A 29 9.925 -5.440 8.299 1.00 41.15 H new ATOM 0 HB2 ASP A 29 11.380 -5.134 10.982 1.00 74.35 H new ATOM 0 HB3 ASP A 29 10.754 -6.671 10.420 1.00 74.35 H new ATOM 453 N TYR A 30 7.746 -4.133 9.681 1.00 32.20 N ATOM 454 CA TYR A 30 6.280 -4.196 10.004 1.00 21.05 C ATOM 455 C TYR A 30 5.902 -4.620 11.462 1.00 74.30 C ATOM 456 O TYR A 30 6.735 -4.626 12.375 1.00 71.35 O ATOM 457 CB TYR A 30 5.529 -5.058 8.946 1.00 12.15 C ATOM 458 CG TYR A 30 5.923 -6.553 8.868 1.00 71.42 C ATOM 459 CD1 TYR A 30 5.358 -7.505 9.716 1.00 30.55 C ATOM 460 CD2 TYR A 30 6.844 -7.008 7.917 1.00 21.33 C ATOM 461 CE1 TYR A 30 5.699 -8.833 9.621 1.00 13.52 C ATOM 462 CE2 TYR A 30 7.180 -8.336 7.827 1.00 63.45 C ATOM 463 CZ TYR A 30 6.606 -9.246 8.681 1.00 73.11 C ATOM 464 OH TYR A 30 6.936 -10.578 8.595 1.00 32.04 O ATOM 0 H TYR A 30 8.006 -3.264 9.215 1.00 32.20 H new ATOM 0 HA TYR A 30 5.946 -3.160 9.954 1.00 21.05 H new ATOM 0 HB2 TYR A 30 4.460 -4.997 9.152 1.00 12.15 H new ATOM 0 HB3 TYR A 30 5.690 -4.611 7.965 1.00 12.15 H new ATOM 0 HD1 TYR A 30 4.640 -7.193 10.460 1.00 30.55 H new ATOM 0 HD2 TYR A 30 7.299 -6.300 7.240 1.00 21.33 H new ATOM 0 HE1 TYR A 30 5.251 -9.553 10.289 1.00 13.52 H new ATOM 0 HE2 TYR A 30 7.894 -8.665 7.086 1.00 63.45 H new ATOM 0 HH TYR A 30 6.172 -11.123 8.876 1.00 32.04 H new ATOM 474 N VAL A 31 4.591 -4.913 11.666 1.00 30.21 N ATOM 475 CA VAL A 31 4.032 -5.362 12.964 1.00 60.52 C ATOM 476 C VAL A 31 3.341 -6.752 12.824 1.00 22.22 C ATOM 477 O VAL A 31 2.464 -6.929 11.971 1.00 74.41 O ATOM 478 CB VAL A 31 2.975 -4.328 13.525 1.00 54.34 C ATOM 479 CG1 VAL A 31 2.471 -4.751 14.931 1.00 54.22 C ATOM 480 CG2 VAL A 31 3.541 -2.883 13.542 1.00 24.54 C ATOM 0 H VAL A 31 3.890 -4.843 10.928 1.00 30.21 H new ATOM 0 HA VAL A 31 4.868 -5.436 13.659 1.00 60.52 H new ATOM 0 HB VAL A 31 2.121 -4.334 12.848 1.00 54.34 H new ATOM 0 HG11 VAL A 31 1.746 -4.022 15.292 1.00 54.22 H new ATOM 0 HG12 VAL A 31 2.000 -5.732 14.869 1.00 54.22 H new ATOM 0 HG13 VAL A 31 3.314 -4.797 15.621 1.00 54.22 H new ATOM 0 HG21 VAL A 31 2.786 -2.201 13.934 1.00 24.54 H new ATOM 0 HG22 VAL A 31 4.427 -2.847 14.176 1.00 24.54 H new ATOM 0 HG23 VAL A 31 3.808 -2.585 12.528 1.00 24.54 H new ATOM 490 N MET A 32 3.763 -7.723 13.659 1.00 75.22 N ATOM 491 CA MET A 32 3.057 -9.023 13.868 1.00 33.43 C ATOM 492 C MET A 32 2.895 -9.297 15.387 1.00 23.52 C ATOM 493 O MET A 32 3.060 -8.374 16.199 1.00 11.12 O ATOM 494 CB MET A 32 3.792 -10.200 13.140 1.00 44.13 C ATOM 495 CG MET A 32 3.343 -10.408 11.688 1.00 11.53 C ATOM 496 SD MET A 32 1.571 -10.742 11.564 1.00 10.30 S ATOM 497 CE MET A 32 1.344 -10.878 9.789 1.00 41.54 C ATOM 0 H MET A 32 4.612 -7.635 14.218 1.00 75.22 H new ATOM 0 HA MET A 32 2.064 -8.955 13.424 1.00 33.43 H new ATOM 0 HB2 MET A 32 4.865 -10.010 13.155 1.00 44.13 H new ATOM 0 HB3 MET A 32 3.624 -11.121 13.698 1.00 44.13 H new ATOM 0 HG2 MET A 32 3.586 -9.521 11.104 1.00 11.53 H new ATOM 0 HG3 MET A 32 3.899 -11.238 11.253 1.00 11.53 H new ATOM 0 HE1 MET A 32 0.296 -11.083 9.571 1.00 41.54 H new ATOM 0 HE2 MET A 32 1.638 -9.943 9.312 1.00 41.54 H new ATOM 0 HE3 MET A 32 1.960 -11.691 9.405 1.00 41.54 H new ATOM 507 N SER A 33 2.535 -10.563 15.750 1.00 42.22 N ATOM 508 CA SER A 33 2.253 -10.986 17.157 1.00 71.53 C ATOM 509 C SER A 33 0.988 -10.282 17.718 1.00 54.33 C ATOM 510 O SER A 33 0.863 -10.044 18.926 1.00 64.32 O ATOM 511 CB SER A 33 3.495 -10.762 18.074 1.00 45.53 C ATOM 512 OG SER A 33 4.623 -11.490 17.596 1.00 30.25 O ATOM 0 H SER A 33 2.432 -11.320 15.075 1.00 42.22 H new ATOM 0 HA SER A 33 2.046 -12.056 17.146 1.00 71.53 H new ATOM 0 HB2 SER A 33 3.734 -9.699 18.114 1.00 45.53 H new ATOM 0 HB3 SER A 33 3.261 -11.075 19.092 1.00 45.53 H new ATOM 0 HG SER A 33 5.389 -11.332 18.187 1.00 30.25 H new ATOM 518 N THR A 34 0.024 -10.019 16.810 1.00 61.10 N ATOM 519 CA THR A 34 -1.219 -9.260 17.105 1.00 3.13 C ATOM 520 C THR A 34 -2.355 -9.660 16.127 1.00 12.41 C ATOM 521 O THR A 34 -2.142 -10.491 15.238 1.00 30.35 O ATOM 522 CB THR A 34 -0.952 -7.712 17.026 1.00 42.05 C ATOM 523 OG1 THR A 34 -2.135 -6.966 17.364 1.00 23.41 O ATOM 524 CG2 THR A 34 -0.447 -7.277 15.636 1.00 0.21 C ATOM 0 H THR A 34 0.084 -10.329 15.840 1.00 61.10 H new ATOM 0 HA THR A 34 -1.535 -9.508 18.118 1.00 3.13 H new ATOM 0 HB THR A 34 -0.169 -7.496 17.753 1.00 42.05 H new ATOM 0 HG1 THR A 34 -1.943 -6.006 17.309 1.00 23.41 H new ATOM 0 HG21 THR A 34 -0.277 -6.200 15.631 1.00 0.21 H new ATOM 0 HG22 THR A 34 0.486 -7.793 15.410 1.00 0.21 H new ATOM 0 HG23 THR A 34 -1.193 -7.530 14.882 1.00 0.21 H new ATOM 532 N GLU A 35 -3.561 -9.079 16.305 1.00 12.34 N ATOM 533 CA GLU A 35 -4.709 -9.293 15.385 1.00 22.14 C ATOM 534 C GLU A 35 -4.348 -8.839 13.944 1.00 41.12 C ATOM 535 O GLU A 35 -4.459 -9.611 12.981 1.00 52.02 O ATOM 536 CB GLU A 35 -5.952 -8.502 15.884 1.00 34.22 C ATOM 537 CG GLU A 35 -7.243 -8.716 15.046 1.00 43.20 C ATOM 538 CD GLU A 35 -7.974 -10.040 15.347 1.00 54.02 C ATOM 539 OE1 GLU A 35 -7.441 -11.123 15.030 1.00 1.32 O ATOM 540 OE2 GLU A 35 -9.079 -10.007 15.929 1.00 73.24 O ATOM 0 H GLU A 35 -3.770 -8.453 17.083 1.00 12.34 H new ATOM 0 HA GLU A 35 -4.941 -10.358 15.372 1.00 22.14 H new ATOM 0 HB2 GLU A 35 -6.155 -8.786 16.916 1.00 34.22 H new ATOM 0 HB3 GLU A 35 -5.711 -7.439 15.888 1.00 34.22 H new ATOM 0 HG2 GLU A 35 -7.925 -7.886 15.230 1.00 43.20 H new ATOM 0 HG3 GLU A 35 -6.985 -8.688 13.987 1.00 43.20 H new ATOM 547 N ARG A 36 -3.917 -7.564 13.851 1.00 63.52 N ATOM 548 CA ARG A 36 -3.433 -6.924 12.614 1.00 52.21 C ATOM 549 C ARG A 36 -4.506 -6.926 11.469 1.00 71.12 C ATOM 550 O ARG A 36 -5.394 -6.068 11.451 1.00 43.33 O ATOM 551 CB ARG A 36 -2.062 -7.545 12.180 1.00 63.12 C ATOM 552 CG ARG A 36 -1.425 -6.924 10.924 1.00 74.03 C ATOM 553 CD ARG A 36 -1.085 -5.430 11.067 1.00 2.52 C ATOM 554 NE ARG A 36 -0.700 -4.846 9.771 1.00 14.04 N ATOM 555 CZ ARG A 36 0.028 -3.765 9.595 1.00 2.24 C ATOM 556 NH1 ARG A 36 0.581 -3.150 10.597 1.00 21.03 N ATOM 557 NH2 ARG A 36 0.221 -3.321 8.397 1.00 43.12 N ATOM 0 H ARG A 36 -3.896 -6.937 14.655 1.00 63.52 H new ATOM 0 HA ARG A 36 -3.260 -5.869 12.827 1.00 52.21 H new ATOM 0 HB2 ARG A 36 -1.360 -7.449 13.008 1.00 63.12 H new ATOM 0 HB3 ARG A 36 -2.204 -8.611 12.005 1.00 63.12 H new ATOM 0 HG2 ARG A 36 -0.514 -7.472 10.683 1.00 74.03 H new ATOM 0 HG3 ARG A 36 -2.106 -7.052 10.083 1.00 74.03 H new ATOM 0 HD2 ARG A 36 -1.946 -4.895 11.469 1.00 2.52 H new ATOM 0 HD3 ARG A 36 -0.271 -5.306 11.781 1.00 2.52 H new ATOM 0 HE ARG A 36 -1.028 -5.324 8.932 1.00 14.04 H new ATOM 0 HH11 ARG A 36 0.455 -3.504 11.545 1.00 21.03 H new ATOM 0 HH12 ARG A 36 1.141 -2.313 10.435 1.00 21.03 H new ATOM 0 HH21 ARG A 36 -0.189 -3.808 7.600 1.00 43.12 H new ATOM 0 HH22 ARG A 36 0.784 -2.483 8.248 1.00 43.12 H new ATOM 571 N LEU A 37 -4.437 -7.916 10.550 1.00 21.22 N ATOM 572 CA LEU A 37 -5.254 -7.963 9.307 1.00 35.33 C ATOM 573 C LEU A 37 -5.622 -9.428 8.977 1.00 14.54 C ATOM 574 O LEU A 37 -5.643 -9.820 7.806 1.00 21.25 O ATOM 575 CB LEU A 37 -4.461 -7.328 8.118 1.00 24.03 C ATOM 576 CG LEU A 37 -4.232 -5.784 8.169 1.00 55.11 C ATOM 577 CD1 LEU A 37 -3.169 -5.351 7.149 1.00 21.03 C ATOM 578 CD2 LEU A 37 -5.555 -5.011 7.956 1.00 30.40 C ATOM 0 H LEU A 37 -3.809 -8.713 10.647 1.00 21.22 H new ATOM 0 HA LEU A 37 -6.170 -7.392 9.462 1.00 35.33 H new ATOM 0 HB2 LEU A 37 -3.487 -7.814 8.061 1.00 24.03 H new ATOM 0 HB3 LEU A 37 -4.989 -7.563 7.194 1.00 24.03 H new ATOM 0 HG LEU A 37 -3.863 -5.537 9.164 1.00 55.11 H new ATOM 0 HD11 LEU A 37 -3.029 -4.272 7.205 1.00 21.03 H new ATOM 0 HD12 LEU A 37 -2.226 -5.851 7.371 1.00 21.03 H new ATOM 0 HD13 LEU A 37 -3.496 -5.622 6.145 1.00 21.03 H new ATOM 0 HD21 LEU A 37 -5.361 -3.939 7.997 1.00 30.40 H new ATOM 0 HD22 LEU A 37 -5.973 -5.267 6.982 1.00 30.40 H new ATOM 0 HD23 LEU A 37 -6.264 -5.282 8.738 1.00 30.40 H new ATOM 590 N THR A 38 -5.955 -10.209 10.026 1.00 4.23 N ATOM 591 CA THR A 38 -6.276 -11.664 9.911 1.00 13.13 C ATOM 592 C THR A 38 -7.357 -11.968 8.833 1.00 72.43 C ATOM 593 O THR A 38 -7.288 -12.994 8.153 1.00 73.51 O ATOM 594 CB THR A 38 -6.722 -12.255 11.297 1.00 21.34 C ATOM 595 OG1 THR A 38 -6.940 -13.674 11.203 1.00 32.33 O ATOM 596 CG2 THR A 38 -7.993 -11.581 11.839 1.00 25.13 C ATOM 0 H THR A 38 -6.011 -9.857 10.982 1.00 4.23 H new ATOM 0 HA THR A 38 -5.355 -12.149 9.589 1.00 13.13 H new ATOM 0 HB THR A 38 -5.908 -12.054 11.994 1.00 21.34 H new ATOM 0 HG1 THR A 38 -7.215 -14.021 12.077 1.00 32.33 H new ATOM 0 HG21 THR A 38 -8.259 -12.025 12.798 1.00 25.13 H new ATOM 0 HG22 THR A 38 -7.811 -10.514 11.971 1.00 25.13 H new ATOM 0 HG23 THR A 38 -8.811 -11.725 11.133 1.00 25.13 H new ATOM 604 N SER A 39 -8.324 -11.038 8.667 1.00 55.12 N ATOM 605 CA SER A 39 -9.381 -11.124 7.627 1.00 31.10 C ATOM 606 C SER A 39 -8.791 -10.955 6.202 1.00 61.20 C ATOM 607 O SER A 39 -9.026 -11.788 5.324 1.00 24.33 O ATOM 608 CB SER A 39 -10.464 -10.042 7.877 1.00 71.20 C ATOM 609 OG SER A 39 -11.032 -10.158 9.174 1.00 63.32 O ATOM 0 H SER A 39 -8.396 -10.204 9.250 1.00 55.12 H new ATOM 0 HA SER A 39 -9.832 -12.114 7.692 1.00 31.10 H new ATOM 0 HB2 SER A 39 -10.023 -9.052 7.760 1.00 71.20 H new ATOM 0 HB3 SER A 39 -11.249 -10.132 7.126 1.00 71.20 H new ATOM 0 HG SER A 39 -11.709 -9.460 9.298 1.00 63.32 H new ATOM 615 N ALA A 40 -7.994 -9.877 6.007 1.00 11.12 N ATOM 616 CA ALA A 40 -7.394 -9.512 4.690 1.00 61.22 C ATOM 617 C ALA A 40 -6.386 -10.582 4.187 1.00 52.52 C ATOM 618 O ALA A 40 -6.366 -10.929 2.998 1.00 0.45 O ATOM 619 CB ALA A 40 -6.712 -8.131 4.783 1.00 23.42 C ATOM 0 H ALA A 40 -7.745 -9.232 6.757 1.00 11.12 H new ATOM 0 HA ALA A 40 -8.204 -9.467 3.962 1.00 61.22 H new ATOM 0 HB1 ALA A 40 -6.277 -7.874 3.817 1.00 23.42 H new ATOM 0 HB2 ALA A 40 -7.450 -7.379 5.060 1.00 23.42 H new ATOM 0 HB3 ALA A 40 -5.926 -8.163 5.537 1.00 23.42 H new ATOM 625 N GLU A 41 -5.545 -11.082 5.111 1.00 62.13 N ATOM 626 CA GLU A 41 -4.582 -12.179 4.853 1.00 35.24 C ATOM 627 C GLU A 41 -5.287 -13.496 4.440 1.00 50.34 C ATOM 628 O GLU A 41 -4.804 -14.213 3.560 1.00 1.35 O ATOM 629 CB GLU A 41 -3.707 -12.396 6.118 1.00 14.20 C ATOM 630 CG GLU A 41 -2.824 -11.181 6.496 1.00 63.21 C ATOM 631 CD GLU A 41 -2.070 -11.363 7.826 1.00 35.13 C ATOM 632 OE1 GLU A 41 -1.273 -12.319 7.936 1.00 11.11 O ATOM 633 OE2 GLU A 41 -2.268 -10.547 8.762 1.00 71.12 O ATOM 0 H GLU A 41 -5.511 -10.735 6.069 1.00 62.13 H new ATOM 0 HA GLU A 41 -3.952 -11.889 4.012 1.00 35.24 H new ATOM 0 HB2 GLU A 41 -4.358 -12.634 6.960 1.00 14.20 H new ATOM 0 HB3 GLU A 41 -3.065 -13.262 5.957 1.00 14.20 H new ATOM 0 HG2 GLU A 41 -2.102 -11.004 5.699 1.00 63.21 H new ATOM 0 HG3 GLU A 41 -3.451 -10.292 6.561 1.00 63.21 H new ATOM 640 N SER A 42 -6.438 -13.794 5.078 1.00 62.03 N ATOM 641 CA SER A 42 -7.286 -14.969 4.723 1.00 15.14 C ATOM 642 C SER A 42 -7.946 -14.820 3.333 1.00 31.34 C ATOM 643 O SER A 42 -8.165 -15.813 2.639 1.00 22.21 O ATOM 644 CB SER A 42 -8.377 -15.202 5.795 1.00 62.44 C ATOM 645 OG SER A 42 -7.805 -15.536 7.047 1.00 71.23 O ATOM 0 H SER A 42 -6.810 -13.238 5.848 1.00 62.03 H new ATOM 0 HA SER A 42 -6.622 -15.833 4.686 1.00 15.14 H new ATOM 0 HB2 SER A 42 -8.986 -14.304 5.899 1.00 62.44 H new ATOM 0 HB3 SER A 42 -9.043 -16.002 5.472 1.00 62.44 H new ATOM 0 HG SER A 42 -7.578 -14.715 7.532 1.00 71.23 H new ATOM 651 N LEU A 43 -8.267 -13.573 2.939 1.00 31.41 N ATOM 652 CA LEU A 43 -8.812 -13.269 1.593 1.00 55.14 C ATOM 653 C LEU A 43 -7.737 -13.464 0.489 1.00 52.15 C ATOM 654 O LEU A 43 -8.051 -13.909 -0.616 1.00 51.02 O ATOM 655 CB LEU A 43 -9.375 -11.825 1.554 1.00 0.20 C ATOM 656 CG LEU A 43 -10.588 -11.529 2.491 1.00 53.54 C ATOM 657 CD1 LEU A 43 -10.992 -10.038 2.430 1.00 42.35 C ATOM 658 CD2 LEU A 43 -11.783 -12.457 2.174 1.00 13.33 C ATOM 0 H LEU A 43 -8.159 -12.752 3.535 1.00 31.41 H new ATOM 0 HA LEU A 43 -9.623 -13.969 1.393 1.00 55.14 H new ATOM 0 HB2 LEU A 43 -8.569 -11.137 1.810 1.00 0.20 H new ATOM 0 HB3 LEU A 43 -9.672 -11.601 0.529 1.00 0.20 H new ATOM 0 HG LEU A 43 -10.276 -11.740 3.514 1.00 53.54 H new ATOM 0 HD11 LEU A 43 -11.839 -9.863 3.093 1.00 42.35 H new ATOM 0 HD12 LEU A 43 -10.151 -9.420 2.745 1.00 42.35 H new ATOM 0 HD13 LEU A 43 -11.271 -9.778 1.409 1.00 42.35 H new ATOM 0 HD21 LEU A 43 -12.611 -12.225 2.844 1.00 13.33 H new ATOM 0 HD22 LEU A 43 -12.098 -12.305 1.142 1.00 13.33 H new ATOM 0 HD23 LEU A 43 -11.484 -13.496 2.313 1.00 13.33 H new ATOM 670 N LEU A 44 -6.473 -13.116 0.799 1.00 1.32 N ATOM 671 CA LEU A 44 -5.321 -13.359 -0.110 1.00 12.31 C ATOM 672 C LEU A 44 -5.026 -14.879 -0.226 1.00 22.23 C ATOM 673 O LEU A 44 -4.785 -15.404 -1.320 1.00 45.44 O ATOM 674 CB LEU A 44 -4.059 -12.614 0.404 1.00 23.05 C ATOM 675 CG LEU A 44 -2.789 -12.720 -0.508 1.00 71.42 C ATOM 676 CD1 LEU A 44 -2.987 -11.978 -1.851 1.00 33.13 C ATOM 677 CD2 LEU A 44 -1.523 -12.244 0.236 1.00 32.30 C ATOM 0 H LEU A 44 -6.217 -12.663 1.676 1.00 1.32 H new ATOM 0 HA LEU A 44 -5.581 -12.977 -1.097 1.00 12.31 H new ATOM 0 HB2 LEU A 44 -4.307 -11.560 0.529 1.00 23.05 H new ATOM 0 HB3 LEU A 44 -3.808 -13.001 1.391 1.00 23.05 H new ATOM 0 HG LEU A 44 -2.643 -13.773 -0.749 1.00 71.42 H new ATOM 0 HD11 LEU A 44 -2.085 -12.074 -2.456 1.00 33.13 H new ATOM 0 HD12 LEU A 44 -3.831 -12.413 -2.386 1.00 33.13 H new ATOM 0 HD13 LEU A 44 -3.184 -10.923 -1.658 1.00 33.13 H new ATOM 0 HD21 LEU A 44 -0.659 -12.330 -0.424 1.00 32.30 H new ATOM 0 HD22 LEU A 44 -1.647 -11.204 0.537 1.00 32.30 H new ATOM 0 HD23 LEU A 44 -1.367 -12.862 1.120 1.00 32.30 H new ATOM 689 N ARG A 45 -5.053 -15.561 0.932 1.00 21.53 N ATOM 690 CA ARG A 45 -4.899 -17.030 1.040 1.00 24.42 C ATOM 691 C ARG A 45 -6.021 -17.792 0.290 1.00 33.22 C ATOM 692 O ARG A 45 -5.770 -18.835 -0.325 1.00 45.13 O ATOM 693 CB ARG A 45 -4.847 -17.438 2.551 1.00 51.21 C ATOM 694 CG ARG A 45 -3.437 -17.330 3.208 1.00 42.44 C ATOM 695 CD ARG A 45 -2.629 -18.654 3.127 1.00 35.51 C ATOM 696 NE ARG A 45 -2.709 -19.308 1.802 1.00 71.34 N ATOM 697 CZ ARG A 45 -2.617 -20.607 1.578 1.00 42.34 C ATOM 698 NH1 ARG A 45 -2.256 -21.440 2.506 1.00 73.32 N ATOM 699 NH2 ARG A 45 -2.870 -21.063 0.401 1.00 12.12 N ATOM 0 H ARG A 45 -5.184 -15.105 1.835 1.00 21.53 H new ATOM 0 HA ARG A 45 -3.962 -17.312 0.559 1.00 24.42 H new ATOM 0 HB2 ARG A 45 -5.541 -16.808 3.107 1.00 51.21 H new ATOM 0 HB3 ARG A 45 -5.200 -18.465 2.648 1.00 51.21 H new ATOM 0 HG2 ARG A 45 -2.873 -16.536 2.718 1.00 42.44 H new ATOM 0 HG3 ARG A 45 -3.550 -17.043 4.253 1.00 42.44 H new ATOM 0 HD2 ARG A 45 -1.584 -18.449 3.361 1.00 35.51 H new ATOM 0 HD3 ARG A 45 -2.997 -19.343 3.887 1.00 35.51 H new ATOM 0 HE ARG A 45 -2.847 -18.704 0.992 1.00 71.34 H new ATOM 0 HH11 ARG A 45 -2.034 -21.097 3.441 1.00 73.32 H new ATOM 0 HH12 ARG A 45 -2.195 -22.437 2.301 1.00 73.32 H new ATOM 0 HH21 ARG A 45 -3.138 -20.423 -0.347 1.00 12.12 H new ATOM 0 HH22 ARG A 45 -2.802 -22.064 0.216 1.00 12.12 H new ATOM 713 N GLY A 46 -7.245 -17.239 0.341 1.00 54.22 N ATOM 714 CA GLY A 46 -8.405 -17.806 -0.362 1.00 32.43 C ATOM 715 C GLY A 46 -8.490 -17.413 -1.843 1.00 14.22 C ATOM 716 O GLY A 46 -9.312 -17.963 -2.581 1.00 10.32 O ATOM 0 H GLY A 46 -7.456 -16.391 0.868 1.00 54.22 H new ATOM 0 HA2 GLY A 46 -8.367 -18.893 -0.287 1.00 32.43 H new ATOM 0 HA3 GLY A 46 -9.316 -17.483 0.142 1.00 32.43 H new ATOM 720 N GLY A 47 -7.631 -16.465 -2.280 1.00 30.50 N ATOM 721 CA GLY A 47 -7.652 -15.949 -3.665 1.00 14.31 C ATOM 722 C GLY A 47 -8.870 -15.077 -3.990 1.00 45.24 C ATOM 723 O GLY A 47 -9.219 -14.888 -5.160 1.00 32.23 O ATOM 0 H GLY A 47 -6.914 -16.042 -1.691 1.00 30.50 H new ATOM 0 HA2 GLY A 47 -6.746 -15.368 -3.839 1.00 14.31 H new ATOM 0 HA3 GLY A 47 -7.627 -16.792 -4.356 1.00 14.31 H new ATOM 727 N GLU A 48 -9.515 -14.554 -2.937 1.00 74.41 N ATOM 728 CA GLU A 48 -10.739 -13.729 -3.039 1.00 55.24 C ATOM 729 C GLU A 48 -10.419 -12.287 -3.498 1.00 20.23 C ATOM 730 O GLU A 48 -11.236 -11.638 -4.155 1.00 60.44 O ATOM 731 CB GLU A 48 -11.455 -13.705 -1.662 1.00 53.21 C ATOM 732 CG GLU A 48 -11.703 -15.097 -1.033 1.00 40.11 C ATOM 733 CD GLU A 48 -12.640 -15.997 -1.863 1.00 44.44 C ATOM 734 OE1 GLU A 48 -13.872 -15.940 -1.657 1.00 73.01 O ATOM 735 OE2 GLU A 48 -12.155 -16.762 -2.725 1.00 13.11 O ATOM 0 H GLU A 48 -9.201 -14.691 -1.976 1.00 74.41 H new ATOM 0 HA GLU A 48 -11.392 -14.174 -3.790 1.00 55.24 H new ATOM 0 HB2 GLU A 48 -10.860 -13.110 -0.969 1.00 53.21 H new ATOM 0 HB3 GLU A 48 -12.413 -13.198 -1.776 1.00 53.21 H new ATOM 0 HG2 GLU A 48 -10.746 -15.604 -0.906 1.00 40.11 H new ATOM 0 HG3 GLU A 48 -12.128 -14.965 -0.038 1.00 40.11 H new ATOM 742 N ILE A 49 -9.220 -11.795 -3.128 1.00 5.14 N ATOM 743 CA ILE A 49 -8.736 -10.441 -3.494 1.00 51.34 C ATOM 744 C ILE A 49 -7.451 -10.529 -4.358 1.00 1.32 C ATOM 745 O ILE A 49 -6.778 -11.569 -4.397 1.00 11.34 O ATOM 746 CB ILE A 49 -8.450 -9.559 -2.208 1.00 61.50 C ATOM 747 CG1 ILE A 49 -7.276 -10.154 -1.353 1.00 13.01 C ATOM 748 CG2 ILE A 49 -9.738 -9.384 -1.356 1.00 52.34 C ATOM 749 CD1 ILE A 49 -6.919 -9.354 -0.106 1.00 1.54 C ATOM 0 H ILE A 49 -8.555 -12.324 -2.565 1.00 5.14 H new ATOM 0 HA ILE A 49 -9.526 -9.963 -4.073 1.00 51.34 H new ATOM 0 HB ILE A 49 -8.137 -8.571 -2.546 1.00 61.50 H new ATOM 0 HG12 ILE A 49 -7.542 -11.167 -1.053 1.00 13.01 H new ATOM 0 HG13 ILE A 49 -6.390 -10.231 -1.983 1.00 13.01 H new ATOM 0 HG21 ILE A 49 -9.515 -8.775 -0.480 1.00 52.34 H new ATOM 0 HG22 ILE A 49 -10.506 -8.892 -1.954 1.00 52.34 H new ATOM 0 HG23 ILE A 49 -10.098 -10.362 -1.036 1.00 52.34 H new ATOM 0 HD11 ILE A 49 -6.098 -9.844 0.418 1.00 1.54 H new ATOM 0 HD12 ILE A 49 -6.617 -8.347 -0.394 1.00 1.54 H new ATOM 0 HD13 ILE A 49 -7.787 -9.298 0.551 1.00 1.54 H new ATOM 761 N SER A 50 -7.136 -9.428 -5.062 1.00 63.23 N ATOM 762 CA SER A 50 -5.855 -9.276 -5.797 1.00 71.43 C ATOM 763 C SER A 50 -4.731 -8.824 -4.844 1.00 64.42 C ATOM 764 O SER A 50 -5.004 -8.337 -3.737 1.00 2.55 O ATOM 765 CB SER A 50 -6.000 -8.248 -6.951 1.00 15.22 C ATOM 766 OG SER A 50 -6.967 -8.666 -7.902 1.00 52.44 O ATOM 0 H SER A 50 -7.753 -8.620 -5.141 1.00 63.23 H new ATOM 0 HA SER A 50 -5.596 -10.248 -6.218 1.00 71.43 H new ATOM 0 HB2 SER A 50 -6.286 -7.279 -6.542 1.00 15.22 H new ATOM 0 HB3 SER A 50 -5.037 -8.115 -7.444 1.00 15.22 H new ATOM 0 HG SER A 50 -6.921 -8.087 -8.692 1.00 52.44 H new ATOM 772 N VAL A 51 -3.464 -8.979 -5.282 1.00 22.42 N ATOM 773 CA VAL A 51 -2.287 -8.499 -4.519 1.00 62.34 C ATOM 774 C VAL A 51 -2.363 -6.965 -4.302 1.00 20.30 C ATOM 775 O VAL A 51 -2.072 -6.500 -3.213 1.00 74.23 O ATOM 776 CB VAL A 51 -0.930 -8.910 -5.211 1.00 71.41 C ATOM 777 CG1 VAL A 51 0.317 -8.326 -4.481 1.00 44.44 C ATOM 778 CG2 VAL A 51 -0.828 -10.454 -5.328 1.00 2.35 C ATOM 0 H VAL A 51 -3.227 -9.434 -6.163 1.00 22.42 H new ATOM 0 HA VAL A 51 -2.308 -8.984 -3.543 1.00 62.34 H new ATOM 0 HB VAL A 51 -0.937 -8.477 -6.211 1.00 71.41 H new ATOM 0 HG11 VAL A 51 1.223 -8.640 -5.000 1.00 44.44 H new ATOM 0 HG12 VAL A 51 0.260 -7.237 -4.478 1.00 44.44 H new ATOM 0 HG13 VAL A 51 0.342 -8.691 -3.454 1.00 44.44 H new ATOM 0 HG21 VAL A 51 0.114 -10.721 -5.807 1.00 2.35 H new ATOM 0 HG22 VAL A 51 -0.867 -10.898 -4.333 1.00 2.35 H new ATOM 0 HG23 VAL A 51 -1.659 -10.829 -5.926 1.00 2.35 H new ATOM 788 N ARG A 52 -2.813 -6.204 -5.336 1.00 62.23 N ATOM 789 CA ARG A 52 -3.066 -4.732 -5.209 1.00 51.33 C ATOM 790 C ARG A 52 -4.013 -4.397 -4.032 1.00 11.32 C ATOM 791 O ARG A 52 -3.720 -3.517 -3.221 1.00 53.41 O ATOM 792 CB ARG A 52 -3.667 -4.134 -6.514 1.00 24.34 C ATOM 793 CG ARG A 52 -2.723 -4.173 -7.725 1.00 13.35 C ATOM 794 CD ARG A 52 -3.178 -3.258 -8.882 1.00 12.22 C ATOM 795 NE ARG A 52 -4.457 -3.695 -9.459 1.00 61.30 N ATOM 796 CZ ARG A 52 -5.253 -2.960 -10.202 1.00 4.42 C ATOM 797 NH1 ARG A 52 -5.010 -1.707 -10.432 1.00 74.23 N ATOM 798 NH2 ARG A 52 -6.312 -3.497 -10.696 1.00 53.01 N ATOM 0 H ARG A 52 -3.009 -6.578 -6.264 1.00 62.23 H new ATOM 0 HA ARG A 52 -2.091 -4.284 -5.018 1.00 51.33 H new ATOM 0 HB2 ARG A 52 -4.578 -4.678 -6.762 1.00 24.34 H new ATOM 0 HB3 ARG A 52 -3.954 -3.099 -6.326 1.00 24.34 H new ATOM 0 HG2 ARG A 52 -1.723 -3.876 -7.408 1.00 13.35 H new ATOM 0 HG3 ARG A 52 -2.651 -5.198 -8.088 1.00 13.35 H new ATOM 0 HD2 ARG A 52 -3.275 -2.235 -8.519 1.00 12.22 H new ATOM 0 HD3 ARG A 52 -2.414 -3.249 -9.659 1.00 12.22 H new ATOM 0 HE ARG A 52 -4.752 -4.652 -9.266 1.00 61.30 H new ATOM 0 HH11 ARG A 52 -4.182 -1.266 -10.032 1.00 74.23 H new ATOM 0 HH12 ARG A 52 -5.647 -1.162 -11.013 1.00 74.23 H new ATOM 0 HH21 ARG A 52 -6.522 -4.477 -10.508 1.00 53.01 H new ATOM 0 HH22 ARG A 52 -6.942 -2.942 -11.275 1.00 53.01 H new ATOM 812 N ASP A 53 -5.134 -5.132 -3.949 1.00 4.32 N ATOM 813 CA ASP A 53 -6.174 -4.903 -2.924 1.00 4.34 C ATOM 814 C ASP A 53 -5.689 -5.347 -1.517 1.00 24.40 C ATOM 815 O ASP A 53 -6.121 -4.796 -0.494 1.00 62.24 O ATOM 816 CB ASP A 53 -7.479 -5.633 -3.331 1.00 2.25 C ATOM 817 CG ASP A 53 -8.700 -5.286 -2.451 1.00 75.14 C ATOM 818 OD1 ASP A 53 -8.752 -4.171 -1.883 1.00 31.44 O ATOM 819 OD2 ASP A 53 -9.619 -6.121 -2.343 1.00 42.20 O ATOM 0 H ASP A 53 -5.347 -5.899 -4.586 1.00 4.32 H new ATOM 0 HA ASP A 53 -6.378 -3.834 -2.865 1.00 4.34 H new ATOM 0 HB2 ASP A 53 -7.711 -5.388 -4.367 1.00 2.25 H new ATOM 0 HB3 ASP A 53 -7.309 -6.709 -3.288 1.00 2.25 H new ATOM 824 N PHE A 54 -4.777 -6.338 -1.477 1.00 63.01 N ATOM 825 CA PHE A 54 -4.110 -6.757 -0.228 1.00 52.02 C ATOM 826 C PHE A 54 -3.159 -5.647 0.289 1.00 42.12 C ATOM 827 O PHE A 54 -3.236 -5.257 1.453 1.00 25.54 O ATOM 828 CB PHE A 54 -3.335 -8.087 -0.431 1.00 10.34 C ATOM 829 CG PHE A 54 -2.641 -8.581 0.840 1.00 44.43 C ATOM 830 CD1 PHE A 54 -3.394 -9.043 1.921 1.00 32.15 C ATOM 831 CD2 PHE A 54 -1.250 -8.556 0.970 1.00 63.22 C ATOM 832 CE1 PHE A 54 -2.779 -9.462 3.084 1.00 22.44 C ATOM 833 CE2 PHE A 54 -0.641 -8.981 2.137 1.00 54.41 C ATOM 834 CZ PHE A 54 -1.406 -9.433 3.192 1.00 5.45 C ATOM 0 H PHE A 54 -4.484 -6.866 -2.299 1.00 63.01 H new ATOM 0 HA PHE A 54 -4.882 -6.924 0.523 1.00 52.02 H new ATOM 0 HB2 PHE A 54 -4.027 -8.853 -0.781 1.00 10.34 H new ATOM 0 HB3 PHE A 54 -2.589 -7.950 -1.214 1.00 10.34 H new ATOM 0 HD1 PHE A 54 -4.471 -9.073 1.847 1.00 32.15 H new ATOM 0 HD2 PHE A 54 -0.643 -8.201 0.150 1.00 63.22 H new ATOM 0 HE1 PHE A 54 -3.377 -9.814 3.912 1.00 22.44 H new ATOM 0 HE2 PHE A 54 0.435 -8.959 2.222 1.00 54.41 H new ATOM 0 HZ PHE A 54 -0.929 -9.764 4.102 1.00 5.45 H new ATOM 844 N VAL A 55 -2.283 -5.141 -0.605 1.00 23.44 N ATOM 845 CA VAL A 55 -1.337 -4.033 -0.297 1.00 72.54 C ATOM 846 C VAL A 55 -2.100 -2.761 0.131 1.00 14.41 C ATOM 847 O VAL A 55 -1.656 -2.018 1.017 1.00 62.41 O ATOM 848 CB VAL A 55 -0.410 -3.702 -1.526 1.00 75.43 C ATOM 849 CG1 VAL A 55 0.605 -2.577 -1.197 1.00 44.04 C ATOM 850 CG2 VAL A 55 0.324 -4.965 -2.029 1.00 2.14 C ATOM 0 H VAL A 55 -2.207 -5.485 -1.562 1.00 23.44 H new ATOM 0 HA VAL A 55 -0.709 -4.370 0.528 1.00 72.54 H new ATOM 0 HB VAL A 55 -1.058 -3.340 -2.325 1.00 75.43 H new ATOM 0 HG11 VAL A 55 1.225 -2.379 -2.071 1.00 44.04 H new ATOM 0 HG12 VAL A 55 0.066 -1.670 -0.922 1.00 44.04 H new ATOM 0 HG13 VAL A 55 1.238 -2.889 -0.366 1.00 44.04 H new ATOM 0 HG21 VAL A 55 0.956 -4.705 -2.878 1.00 2.14 H new ATOM 0 HG22 VAL A 55 0.942 -5.370 -1.228 1.00 2.14 H new ATOM 0 HG23 VAL A 55 -0.407 -5.712 -2.337 1.00 2.14 H new ATOM 860 N ARG A 56 -3.268 -2.553 -0.500 1.00 23.22 N ATOM 861 CA ARG A 56 -4.194 -1.467 -0.158 1.00 3.11 C ATOM 862 C ARG A 56 -4.660 -1.606 1.303 1.00 23.30 C ATOM 863 O ARG A 56 -4.559 -0.659 2.068 1.00 51.53 O ATOM 864 CB ARG A 56 -5.400 -1.464 -1.143 1.00 21.02 C ATOM 865 CG ARG A 56 -6.323 -0.228 -1.032 1.00 31.14 C ATOM 866 CD ARG A 56 -7.306 -0.095 -2.219 1.00 2.50 C ATOM 867 NE ARG A 56 -8.356 -1.135 -2.251 1.00 43.10 N ATOM 868 CZ ARG A 56 -9.541 -0.998 -2.830 1.00 41.12 C ATOM 869 NH1 ARG A 56 -9.883 0.109 -3.426 1.00 14.20 N ATOM 870 NH2 ARG A 56 -10.373 -1.985 -2.815 1.00 12.14 N ATOM 0 H ARG A 56 -3.596 -3.140 -1.267 1.00 23.22 H new ATOM 0 HA ARG A 56 -3.679 -0.511 -0.254 1.00 3.11 H new ATOM 0 HB2 ARG A 56 -5.019 -1.525 -2.162 1.00 21.02 H new ATOM 0 HB3 ARG A 56 -5.995 -2.361 -0.970 1.00 21.02 H new ATOM 0 HG2 ARG A 56 -6.890 -0.288 -0.103 1.00 31.14 H new ATOM 0 HG3 ARG A 56 -5.710 0.671 -0.973 1.00 31.14 H new ATOM 0 HD2 ARG A 56 -7.781 0.885 -2.176 1.00 2.50 H new ATOM 0 HD3 ARG A 56 -6.742 -0.135 -3.151 1.00 2.50 H new ATOM 0 HE ARG A 56 -8.154 -2.024 -1.794 1.00 43.10 H new ATOM 0 HH11 ARG A 56 -9.233 0.895 -3.454 1.00 14.20 H new ATOM 0 HH12 ARG A 56 -10.801 0.190 -3.864 1.00 14.20 H new ATOM 0 HH21 ARG A 56 -10.117 -2.861 -2.360 1.00 12.14 H new ATOM 0 HH22 ARG A 56 -11.287 -1.889 -3.258 1.00 12.14 H new ATOM 884 N ALA A 57 -5.092 -2.825 1.685 1.00 61.43 N ATOM 885 CA ALA A 57 -5.538 -3.145 3.066 1.00 62.41 C ATOM 886 C ALA A 57 -4.408 -2.976 4.124 1.00 52.12 C ATOM 887 O ALA A 57 -4.669 -2.564 5.262 1.00 3.31 O ATOM 888 CB ALA A 57 -6.099 -4.577 3.113 1.00 21.21 C ATOM 0 H ALA A 57 -5.143 -3.620 1.048 1.00 61.43 H new ATOM 0 HA ALA A 57 -6.318 -2.429 3.325 1.00 62.41 H new ATOM 0 HB1 ALA A 57 -6.425 -4.807 4.127 1.00 21.21 H new ATOM 0 HB2 ALA A 57 -6.947 -4.658 2.433 1.00 21.21 H new ATOM 0 HB3 ALA A 57 -5.324 -5.282 2.812 1.00 21.21 H new ATOM 894 N VAL A 58 -3.155 -3.295 3.736 1.00 20.31 N ATOM 895 CA VAL A 58 -1.968 -3.175 4.630 1.00 71.45 C ATOM 896 C VAL A 58 -1.552 -1.699 4.816 1.00 44.21 C ATOM 897 O VAL A 58 -1.077 -1.300 5.886 1.00 61.01 O ATOM 898 CB VAL A 58 -0.766 -4.048 4.097 1.00 5.34 C ATOM 899 CG1 VAL A 58 0.469 -4.010 5.042 1.00 74.31 C ATOM 900 CG2 VAL A 58 -1.228 -5.507 3.865 1.00 71.33 C ATOM 0 H VAL A 58 -2.931 -3.641 2.803 1.00 20.31 H new ATOM 0 HA VAL A 58 -2.249 -3.561 5.610 1.00 71.45 H new ATOM 0 HB VAL A 58 -0.449 -3.613 3.149 1.00 5.34 H new ATOM 0 HG11 VAL A 58 1.265 -4.628 4.626 1.00 74.31 H new ATOM 0 HG12 VAL A 58 0.821 -2.983 5.140 1.00 74.31 H new ATOM 0 HG13 VAL A 58 0.188 -4.393 6.023 1.00 74.31 H new ATOM 0 HG21 VAL A 58 -0.390 -6.100 3.497 1.00 71.33 H new ATOM 0 HG22 VAL A 58 -1.587 -5.929 4.804 1.00 71.33 H new ATOM 0 HG23 VAL A 58 -2.033 -5.521 3.130 1.00 71.33 H new ATOM 910 N ALA A 59 -1.729 -0.901 3.761 1.00 63.24 N ATOM 911 CA ALA A 59 -1.562 0.565 3.820 1.00 12.01 C ATOM 912 C ALA A 59 -2.787 1.275 4.465 1.00 2.33 C ATOM 913 O ALA A 59 -2.680 2.420 4.899 1.00 14.35 O ATOM 914 CB ALA A 59 -1.275 1.098 2.416 1.00 42.02 C ATOM 0 H ALA A 59 -1.992 -1.246 2.838 1.00 63.24 H new ATOM 0 HA ALA A 59 -0.714 0.789 4.467 1.00 12.01 H new ATOM 0 HB1 ALA A 59 -1.151 2.180 2.456 1.00 42.02 H new ATOM 0 HB2 ALA A 59 -0.362 0.642 2.033 1.00 42.02 H new ATOM 0 HB3 ALA A 59 -2.107 0.852 1.756 1.00 42.02 H new ATOM 920 N LEU A 60 -3.948 0.582 4.516 1.00 14.42 N ATOM 921 CA LEU A 60 -5.164 1.074 5.219 1.00 43.21 C ATOM 922 C LEU A 60 -5.142 0.717 6.719 1.00 11.12 C ATOM 923 O LEU A 60 -5.920 1.286 7.495 1.00 55.24 O ATOM 924 CB LEU A 60 -6.466 0.500 4.567 1.00 22.22 C ATOM 925 CG LEU A 60 -6.854 1.090 3.177 1.00 62.33 C ATOM 926 CD1 LEU A 60 -8.141 0.439 2.614 1.00 31.13 C ATOM 927 CD2 LEU A 60 -6.977 2.617 3.255 1.00 61.45 C ATOM 0 H LEU A 60 -4.072 -0.329 4.075 1.00 14.42 H new ATOM 0 HA LEU A 60 -5.163 2.160 5.121 1.00 43.21 H new ATOM 0 HB2 LEU A 60 -6.350 -0.579 4.462 1.00 22.22 H new ATOM 0 HB3 LEU A 60 -7.296 0.666 5.254 1.00 22.22 H new ATOM 0 HG LEU A 60 -6.053 0.852 2.477 1.00 62.33 H new ATOM 0 HD11 LEU A 60 -8.377 0.878 1.645 1.00 31.13 H new ATOM 0 HD12 LEU A 60 -7.986 -0.634 2.498 1.00 31.13 H new ATOM 0 HD13 LEU A 60 -8.968 0.614 3.302 1.00 31.13 H new ATOM 0 HD21 LEU A 60 -7.248 3.011 2.275 1.00 61.45 H new ATOM 0 HD22 LEU A 60 -7.747 2.883 3.979 1.00 61.45 H new ATOM 0 HD23 LEU A 60 -6.023 3.043 3.566 1.00 61.45 H new ATOM 939 N SER A 61 -4.256 -0.225 7.114 1.00 44.03 N ATOM 940 CA SER A 61 -4.156 -0.707 8.514 1.00 12.14 C ATOM 941 C SER A 61 -3.888 0.455 9.496 1.00 33.10 C ATOM 942 O SER A 61 -3.044 1.321 9.234 1.00 53.31 O ATOM 943 CB SER A 61 -3.040 -1.775 8.655 1.00 43.52 C ATOM 944 OG SER A 61 -1.739 -1.215 8.548 1.00 3.02 O ATOM 0 H SER A 61 -3.594 -0.671 6.478 1.00 44.03 H new ATOM 0 HA SER A 61 -5.116 -1.158 8.766 1.00 12.14 H new ATOM 0 HB2 SER A 61 -3.139 -2.275 9.618 1.00 43.52 H new ATOM 0 HB3 SER A 61 -3.170 -2.536 7.885 1.00 43.52 H new ATOM 0 HG SER A 61 -1.513 -1.091 7.603 1.00 3.02 H new ATOM 950 N GLU A 62 -4.611 0.464 10.623 1.00 53.35 N ATOM 951 CA GLU A 62 -4.469 1.507 11.655 1.00 62.13 C ATOM 952 C GLU A 62 -3.116 1.395 12.387 1.00 55.13 C ATOM 953 O GLU A 62 -2.626 2.374 12.920 1.00 53.12 O ATOM 954 CB GLU A 62 -5.663 1.470 12.636 1.00 10.22 C ATOM 955 CG GLU A 62 -7.011 1.831 11.974 1.00 2.42 C ATOM 956 CD GLU A 62 -8.193 1.819 12.958 1.00 72.21 C ATOM 957 OE1 GLU A 62 -8.418 2.841 13.641 1.00 15.50 O ATOM 958 OE2 GLU A 62 -8.896 0.787 13.050 1.00 14.22 O ATOM 0 H GLU A 62 -5.308 -0.246 10.847 1.00 53.35 H new ATOM 0 HA GLU A 62 -4.479 2.478 11.161 1.00 62.13 H new ATOM 0 HB2 GLU A 62 -5.736 0.473 13.071 1.00 10.22 H new ATOM 0 HB3 GLU A 62 -5.472 2.163 13.456 1.00 10.22 H new ATOM 0 HG2 GLU A 62 -6.933 2.820 11.522 1.00 2.42 H new ATOM 0 HG3 GLU A 62 -7.212 1.127 11.167 1.00 2.42 H new ATOM 965 N LEU A 63 -2.519 0.191 12.398 1.00 25.33 N ATOM 966 CA LEU A 63 -1.165 -0.037 12.959 1.00 50.33 C ATOM 967 C LEU A 63 -0.073 0.674 12.105 1.00 24.34 C ATOM 968 O LEU A 63 0.992 1.026 12.615 1.00 21.24 O ATOM 969 CB LEU A 63 -0.870 -1.561 13.104 1.00 53.54 C ATOM 970 CG LEU A 63 -1.671 -2.325 14.221 1.00 2.05 C ATOM 971 CD1 LEU A 63 -3.186 -2.409 13.923 1.00 11.05 C ATOM 972 CD2 LEU A 63 -1.081 -3.730 14.468 1.00 12.22 C ATOM 0 H LEU A 63 -2.954 -0.651 12.022 1.00 25.33 H new ATOM 0 HA LEU A 63 -1.138 0.403 13.956 1.00 50.33 H new ATOM 0 HB2 LEU A 63 -1.075 -2.041 12.147 1.00 53.54 H new ATOM 0 HB3 LEU A 63 0.195 -1.686 13.301 1.00 53.54 H new ATOM 0 HG LEU A 63 -1.563 -1.738 15.133 1.00 2.05 H new ATOM 0 HD11 LEU A 63 -3.686 -2.947 14.728 1.00 11.05 H new ATOM 0 HD12 LEU A 63 -3.598 -1.403 13.848 1.00 11.05 H new ATOM 0 HD13 LEU A 63 -3.343 -2.937 12.982 1.00 11.05 H new ATOM 0 HD21 LEU A 63 -1.655 -4.234 15.245 1.00 12.22 H new ATOM 0 HD22 LEU A 63 -1.128 -4.311 13.547 1.00 12.22 H new ATOM 0 HD23 LEU A 63 -0.043 -3.638 14.786 1.00 12.22 H new ATOM 984 N TYR A 64 -0.344 0.865 10.797 1.00 4.30 N ATOM 985 CA TYR A 64 0.487 1.735 9.926 1.00 50.42 C ATOM 986 C TYR A 64 0.215 3.239 10.233 1.00 50.04 C ATOM 987 O TYR A 64 1.148 4.051 10.300 1.00 2.11 O ATOM 988 CB TYR A 64 0.213 1.408 8.426 1.00 40.40 C ATOM 989 CG TYR A 64 0.974 2.284 7.413 1.00 42.04 C ATOM 990 CD1 TYR A 64 2.366 2.363 7.438 1.00 31.10 C ATOM 991 CD2 TYR A 64 0.302 3.049 6.451 1.00 3.22 C ATOM 992 CE1 TYR A 64 3.057 3.164 6.549 1.00 54.23 C ATOM 993 CE2 TYR A 64 0.992 3.851 5.561 1.00 15.40 C ATOM 994 CZ TYR A 64 2.372 3.906 5.616 1.00 75.00 C ATOM 995 OH TYR A 64 3.066 4.716 4.739 1.00 52.01 O ATOM 0 H TYR A 64 -1.132 0.430 10.317 1.00 4.30 H new ATOM 0 HA TYR A 64 1.539 1.539 10.132 1.00 50.42 H new ATOM 0 HB2 TYR A 64 0.471 0.365 8.245 1.00 40.40 H new ATOM 0 HB3 TYR A 64 -0.856 1.509 8.238 1.00 40.40 H new ATOM 0 HD1 TYR A 64 2.915 1.786 8.167 1.00 31.10 H new ATOM 0 HD2 TYR A 64 -0.776 3.012 6.404 1.00 3.22 H new ATOM 0 HE1 TYR A 64 4.135 3.207 6.587 1.00 54.23 H new ATOM 0 HE2 TYR A 64 0.455 4.432 4.826 1.00 15.40 H new ATOM 0 HH TYR A 64 2.451 5.363 4.334 1.00 52.01 H new ATOM 1005 N ARG A 65 -1.071 3.585 10.441 1.00 75.02 N ATOM 1006 CA ARG A 65 -1.513 4.976 10.708 1.00 45.22 C ATOM 1007 C ARG A 65 -0.960 5.546 12.048 1.00 44.21 C ATOM 1008 O ARG A 65 -0.393 6.627 12.076 1.00 41.25 O ATOM 1009 CB ARG A 65 -3.062 5.051 10.702 1.00 72.51 C ATOM 1010 CG ARG A 65 -3.632 6.475 10.921 1.00 22.32 C ATOM 1011 CD ARG A 65 -5.172 6.523 10.927 1.00 71.13 C ATOM 1012 NE ARG A 65 -5.671 7.900 11.131 1.00 4.40 N ATOM 1013 CZ ARG A 65 -6.068 8.415 12.283 1.00 55.34 C ATOM 1014 NH1 ARG A 65 -6.063 7.714 13.380 1.00 25.12 N ATOM 1015 NH2 ARG A 65 -6.459 9.646 12.329 1.00 32.35 N ATOM 0 H ARG A 65 -1.836 2.910 10.429 1.00 75.02 H new ATOM 0 HA ARG A 65 -1.104 5.594 9.909 1.00 45.22 H new ATOM 0 HB2 ARG A 65 -3.429 4.668 9.750 1.00 72.51 H new ATOM 0 HB3 ARG A 65 -3.449 4.394 11.481 1.00 72.51 H new ATOM 0 HG2 ARG A 65 -3.260 6.866 11.868 1.00 22.32 H new ATOM 0 HG3 ARG A 65 -3.258 7.133 10.136 1.00 22.32 H new ATOM 0 HD2 ARG A 65 -5.553 6.133 9.983 1.00 71.13 H new ATOM 0 HD3 ARG A 65 -5.554 5.876 11.716 1.00 71.13 H new ATOM 0 HE ARG A 65 -5.713 8.506 10.312 1.00 4.40 H new ATOM 0 HH11 ARG A 65 -5.748 6.744 13.364 1.00 25.12 H new ATOM 0 HH12 ARG A 65 -6.374 8.135 14.256 1.00 25.12 H new ATOM 0 HH21 ARG A 65 -6.460 10.213 11.481 1.00 32.35 H new ATOM 0 HH22 ARG A 65 -6.767 10.051 13.213 1.00 32.35 H new ATOM 1029 N GLU A 66 -1.134 4.822 13.157 1.00 23.21 N ATOM 1030 CA GLU A 66 -0.732 5.311 14.506 1.00 13.41 C ATOM 1031 C GLU A 66 0.797 5.468 14.633 1.00 63.24 C ATOM 1032 O GLU A 66 1.294 6.365 15.325 1.00 1.21 O ATOM 1033 CB GLU A 66 -1.284 4.377 15.617 1.00 13.31 C ATOM 1034 CG GLU A 66 -2.809 4.128 15.548 1.00 54.31 C ATOM 1035 CD GLU A 66 -3.652 5.415 15.442 1.00 11.34 C ATOM 1036 OE1 GLU A 66 -3.848 6.090 16.472 1.00 31.11 O ATOM 1037 OE2 GLU A 66 -4.119 5.759 14.327 1.00 23.44 O ATOM 0 H GLU A 66 -1.551 3.891 13.161 1.00 23.21 H new ATOM 0 HA GLU A 66 -1.170 6.301 14.635 1.00 13.41 H new ATOM 0 HB2 GLU A 66 -0.769 3.418 15.557 1.00 13.31 H new ATOM 0 HB3 GLU A 66 -1.043 4.808 16.589 1.00 13.31 H new ATOM 0 HG2 GLU A 66 -3.024 3.493 14.688 1.00 54.31 H new ATOM 0 HG3 GLU A 66 -3.117 3.577 16.436 1.00 54.31 H new ATOM 1044 N LYS A 67 1.523 4.612 13.917 1.00 10.31 N ATOM 1045 CA LYS A 67 2.992 4.557 13.962 1.00 71.13 C ATOM 1046 C LYS A 67 3.649 5.637 13.048 1.00 75.51 C ATOM 1047 O LYS A 67 4.672 6.213 13.409 1.00 22.24 O ATOM 1048 CB LYS A 67 3.439 3.126 13.564 1.00 21.32 C ATOM 1049 CG LYS A 67 4.916 2.788 13.855 1.00 2.40 C ATOM 1050 CD LYS A 67 5.255 1.306 13.547 1.00 24.44 C ATOM 1051 CE LYS A 67 6.700 0.936 13.920 1.00 41.24 C ATOM 1052 NZ LYS A 67 6.960 1.088 15.377 1.00 22.35 N ATOM 0 H LYS A 67 1.110 3.929 13.282 1.00 10.31 H new ATOM 0 HA LYS A 67 3.328 4.781 14.975 1.00 71.13 H new ATOM 0 HB2 LYS A 67 2.809 2.408 14.089 1.00 21.32 H new ATOM 0 HB3 LYS A 67 3.256 2.990 12.498 1.00 21.32 H new ATOM 0 HG2 LYS A 67 5.558 3.436 13.259 1.00 2.40 H new ATOM 0 HG3 LYS A 67 5.134 2.998 14.902 1.00 2.40 H new ATOM 0 HD2 LYS A 67 4.567 0.660 14.092 1.00 24.44 H new ATOM 0 HD3 LYS A 67 5.098 1.115 12.485 1.00 24.44 H new ATOM 0 HE2 LYS A 67 6.898 -0.094 13.623 1.00 41.24 H new ATOM 0 HE3 LYS A 67 7.391 1.567 13.361 1.00 41.24 H new ATOM 0 HZ1 LYS A 67 7.884 0.671 15.610 1.00 22.35 H new ATOM 0 HZ2 LYS A 67 6.963 2.098 15.626 1.00 22.35 H new ATOM 0 HZ3 LYS A 67 6.215 0.601 15.915 1.00 22.35 H new ATOM 1066 N PHE A 68 3.060 5.905 11.856 1.00 1.10 N ATOM 1067 CA PHE A 68 3.678 6.824 10.836 1.00 11.34 C ATOM 1068 C PHE A 68 2.908 8.154 10.599 1.00 31.12 C ATOM 1069 O PHE A 68 3.464 9.088 10.020 1.00 70.44 O ATOM 1070 CB PHE A 68 3.876 6.054 9.502 1.00 21.13 C ATOM 1071 CG PHE A 68 4.862 4.893 9.634 1.00 64.23 C ATOM 1072 CD1 PHE A 68 6.236 5.110 9.528 1.00 72.11 C ATOM 1073 CD2 PHE A 68 4.423 3.598 9.901 1.00 30.41 C ATOM 1074 CE1 PHE A 68 7.130 4.071 9.680 1.00 41.11 C ATOM 1075 CE2 PHE A 68 5.317 2.561 10.057 1.00 21.31 C ATOM 1076 CZ PHE A 68 6.670 2.799 9.946 1.00 1.43 C ATOM 0 H PHE A 68 2.166 5.508 11.568 1.00 1.10 H new ATOM 0 HA PHE A 68 4.638 7.134 11.248 1.00 11.34 H new ATOM 0 HB2 PHE A 68 2.914 5.672 9.161 1.00 21.13 H new ATOM 0 HB3 PHE A 68 4.233 6.744 8.738 1.00 21.13 H new ATOM 0 HD1 PHE A 68 6.604 6.105 9.324 1.00 72.11 H new ATOM 0 HD2 PHE A 68 3.364 3.404 9.987 1.00 30.41 H new ATOM 0 HE1 PHE A 68 8.191 4.254 9.591 1.00 41.11 H new ATOM 0 HE2 PHE A 68 4.958 1.564 10.266 1.00 21.31 H new ATOM 0 HZ PHE A 68 7.372 1.987 10.068 1.00 1.43 H new ATOM 1086 N PHE A 69 1.619 8.219 10.950 1.00 64.03 N ATOM 1087 CA PHE A 69 0.831 9.488 10.912 1.00 44.02 C ATOM 1088 C PHE A 69 0.880 10.257 12.268 1.00 20.53 C ATOM 1089 O PHE A 69 0.909 11.489 12.279 1.00 15.23 O ATOM 1090 CB PHE A 69 -0.636 9.213 10.466 1.00 24.23 C ATOM 1091 CG PHE A 69 -1.560 10.437 10.487 1.00 22.03 C ATOM 1092 CD1 PHE A 69 -1.298 11.545 9.677 1.00 25.40 C ATOM 1093 CD2 PHE A 69 -2.678 10.488 11.328 1.00 40.23 C ATOM 1094 CE1 PHE A 69 -2.120 12.659 9.712 1.00 55.34 C ATOM 1095 CE2 PHE A 69 -3.499 11.601 11.357 1.00 21.25 C ATOM 1096 CZ PHE A 69 -3.217 12.688 10.550 1.00 60.55 C ATOM 0 H PHE A 69 1.084 7.411 11.267 1.00 64.03 H new ATOM 0 HA PHE A 69 1.297 10.137 10.171 1.00 44.02 H new ATOM 0 HB2 PHE A 69 -0.622 8.804 9.456 1.00 24.23 H new ATOM 0 HB3 PHE A 69 -1.059 8.446 11.114 1.00 24.23 H new ATOM 0 HD1 PHE A 69 -0.444 11.533 9.016 1.00 25.40 H new ATOM 0 HD2 PHE A 69 -2.903 9.645 11.964 1.00 40.23 H new ATOM 0 HE1 PHE A 69 -1.902 13.508 9.081 1.00 55.34 H new ATOM 0 HE2 PHE A 69 -4.359 11.621 12.009 1.00 21.25 H new ATOM 0 HZ PHE A 69 -3.855 13.559 10.575 1.00 60.55 H new ATOM 1106 N HIS A 70 0.854 9.535 13.412 1.00 0.13 N ATOM 1107 CA HIS A 70 0.802 10.185 14.762 1.00 4.04 C ATOM 1108 C HIS A 70 2.213 10.444 15.355 1.00 30.11 C ATOM 1109 O HIS A 70 2.442 11.478 15.994 1.00 15.14 O ATOM 1110 CB HIS A 70 -0.038 9.327 15.741 1.00 61.21 C ATOM 1111 CG HIS A 70 -1.488 9.198 15.363 1.00 14.05 C ATOM 1112 ND1 HIS A 70 -2.505 9.723 16.117 1.00 34.35 N ATOM 1113 CD2 HIS A 70 -2.088 8.573 14.327 1.00 41.33 C ATOM 1114 CE1 HIS A 70 -3.657 9.431 15.566 1.00 72.30 C ATOM 1115 NE2 HIS A 70 -3.438 8.728 14.475 1.00 70.25 N ATOM 0 H HIS A 70 0.868 8.515 13.439 1.00 0.13 H new ATOM 0 HA HIS A 70 0.327 11.157 14.628 1.00 4.04 H new ATOM 0 HB2 HIS A 70 0.400 8.331 15.800 1.00 61.21 H new ATOM 0 HB3 HIS A 70 0.028 9.764 16.737 1.00 61.21 H new ATOM 0 HD1 HIS A 70 -2.383 10.259 16.976 1.00 34.35 H new ATOM 0 HD2 HIS A 70 -1.591 8.046 13.526 1.00 41.33 H new ATOM 0 HE1 HIS A 70 -4.627 9.719 15.944 1.00 72.30 H new ATOM 1124 N ASN A 71 3.157 9.511 15.126 1.00 43.10 N ATOM 1125 CA ASN A 71 4.560 9.628 15.626 1.00 41.33 C ATOM 1126 C ASN A 71 5.461 10.415 14.618 1.00 12.11 C ATOM 1127 O ASN A 71 6.644 10.666 14.871 1.00 21.14 O ATOM 1128 CB ASN A 71 5.099 8.195 15.903 1.00 22.13 C ATOM 1129 CG ASN A 71 6.479 8.155 16.569 1.00 43.53 C ATOM 1130 OD1 ASN A 71 7.504 8.047 15.903 1.00 24.11 O ATOM 1131 ND2 ASN A 71 6.522 8.261 17.883 1.00 32.04 N ATOM 0 H ASN A 71 2.981 8.658 14.595 1.00 43.10 H new ATOM 0 HA ASN A 71 4.579 10.202 16.552 1.00 41.33 H new ATOM 0 HB2 ASN A 71 4.387 7.669 16.539 1.00 22.13 H new ATOM 0 HB3 ASN A 71 5.148 7.650 14.960 1.00 22.13 H new ATOM 0 HD21 ASN A 71 7.420 8.254 18.366 1.00 32.04 H new ATOM 0 HD22 ASN A 71 5.657 8.350 18.416 1.00 32.04 H new ATOM 1138 N ASN A 72 4.854 10.847 13.501 1.00 43.22 N ATOM 1139 CA ASN A 72 5.546 11.513 12.376 1.00 13.53 C ATOM 1140 C ASN A 72 4.625 12.590 11.736 1.00 62.23 C ATOM 1141 O ASN A 72 3.402 12.496 11.828 1.00 53.14 O ATOM 1142 CB ASN A 72 5.949 10.425 11.344 1.00 1.43 C ATOM 1143 CG ASN A 72 6.572 10.956 10.057 1.00 42.34 C ATOM 1144 OD1 ASN A 72 7.391 11.870 10.077 1.00 15.24 O ATOM 1145 ND2 ASN A 72 6.137 10.437 8.930 1.00 43.33 N ATOM 0 H ASN A 72 3.851 10.743 13.348 1.00 43.22 H new ATOM 0 HA ASN A 72 6.441 12.025 12.729 1.00 13.53 H new ATOM 0 HB2 ASN A 72 6.655 9.741 11.816 1.00 1.43 H new ATOM 0 HB3 ASN A 72 5.064 9.843 11.088 1.00 1.43 H new ATOM 0 HD21 ASN A 72 6.481 10.793 8.038 1.00 43.33 H new ATOM 0 HD22 ASN A 72 5.456 9.678 8.947 1.00 43.33 H new ATOM 1152 N ALA A 73 5.234 13.597 11.081 1.00 25.53 N ATOM 1153 CA ALA A 73 4.504 14.704 10.412 1.00 53.54 C ATOM 1154 C ALA A 73 3.721 14.205 9.168 1.00 71.22 C ATOM 1155 O ALA A 73 4.228 13.367 8.430 1.00 34.54 O ATOM 1156 CB ALA A 73 5.493 15.812 10.013 1.00 23.32 C ATOM 0 H ALA A 73 6.248 13.671 10.998 1.00 25.53 H new ATOM 0 HA ALA A 73 3.776 15.104 11.117 1.00 53.54 H new ATOM 0 HB1 ALA A 73 4.953 16.622 9.523 1.00 23.32 H new ATOM 0 HB2 ALA A 73 5.990 16.195 10.905 1.00 23.32 H new ATOM 0 HB3 ALA A 73 6.238 15.406 9.329 1.00 23.32 H new ATOM 1162 N HIS A 74 2.482 14.719 8.958 1.00 32.42 N ATOM 1163 CA HIS A 74 1.594 14.292 7.836 1.00 12.43 C ATOM 1164 C HIS A 74 2.248 14.475 6.434 1.00 51.13 C ATOM 1165 O HIS A 74 2.056 13.633 5.550 1.00 71.44 O ATOM 1166 CB HIS A 74 0.239 15.042 7.881 1.00 11.55 C ATOM 1167 CG HIS A 74 -0.693 14.698 6.730 1.00 61.11 C ATOM 1168 ND1 HIS A 74 -1.210 15.669 5.911 1.00 5.02 N ATOM 1169 CD2 HIS A 74 -1.129 13.485 6.286 1.00 14.53 C ATOM 1170 CE1 HIS A 74 -1.928 15.044 5.006 1.00 11.21 C ATOM 1171 NE2 HIS A 74 -1.909 13.719 5.187 1.00 23.14 N ATOM 0 H HIS A 74 2.069 15.436 9.555 1.00 32.42 H new ATOM 0 HA HIS A 74 1.426 13.225 7.980 1.00 12.43 H new ATOM 0 HB2 HIS A 74 -0.261 14.813 8.822 1.00 11.55 H new ATOM 0 HB3 HIS A 74 0.428 16.115 7.874 1.00 11.55 H new ATOM 0 HD2 HIS A 74 -0.902 12.522 6.720 1.00 14.53 H new ATOM 0 HE1 HIS A 74 -2.468 15.540 4.213 1.00 11.21 H new ATOM 0 HE2 HIS A 74 -2.384 13.019 4.617 1.00 23.14 H new ATOM 1179 N ASN A 75 3.003 15.573 6.238 1.00 54.41 N ATOM 1180 CA ASN A 75 3.788 15.794 4.990 1.00 31.34 C ATOM 1181 C ASN A 75 4.765 14.623 4.743 1.00 52.54 C ATOM 1182 O ASN A 75 4.767 14.022 3.668 1.00 51.14 O ATOM 1183 CB ASN A 75 4.557 17.132 5.063 1.00 11.01 C ATOM 1184 CG ASN A 75 3.620 18.334 5.021 1.00 53.33 C ATOM 1185 OD1 ASN A 75 3.346 18.838 3.833 1.00 0.40 O flip ATOM 1186 ND2 ASN A 75 3.143 18.804 6.046 1.00 30.33 N flip ATOM 0 H ASN A 75 3.091 16.325 6.922 1.00 54.41 H new ATOM 0 HA ASN A 75 3.091 15.840 4.153 1.00 31.34 H new ATOM 0 HB2 ASN A 75 5.145 17.163 5.981 1.00 11.01 H new ATOM 0 HB3 ASN A 75 5.260 17.192 4.232 1.00 11.01 H new ATOM 0 HD21 ASN A 75 3.373 18.393 6.951 1.00 30.33 H new ATOM 0 HD22 ASN A 75 2.516 19.607 5.995 1.00 30.33 H new ATOM 1193 N ARG A 76 5.534 14.280 5.791 1.00 13.54 N ATOM 1194 CA ARG A 76 6.443 13.111 5.800 1.00 2.32 C ATOM 1195 C ARG A 76 5.685 11.775 5.619 1.00 71.33 C ATOM 1196 O ARG A 76 6.218 10.857 5.015 1.00 12.31 O ATOM 1197 CB ARG A 76 7.253 13.077 7.119 1.00 20.44 C ATOM 1198 CG ARG A 76 8.441 14.059 7.210 1.00 12.41 C ATOM 1199 CD ARG A 76 9.745 13.476 6.615 1.00 60.24 C ATOM 1200 NE ARG A 76 9.721 13.269 5.156 1.00 43.11 N ATOM 1201 CZ ARG A 76 10.643 12.609 4.476 1.00 70.22 C ATOM 1202 NH1 ARG A 76 11.605 11.986 5.077 1.00 50.30 N ATOM 1203 NH2 ARG A 76 10.593 12.564 3.190 1.00 4.22 N ATOM 0 H ARG A 76 5.545 14.807 6.664 1.00 13.54 H new ATOM 0 HA ARG A 76 7.119 13.223 4.952 1.00 2.32 H new ATOM 0 HB2 ARG A 76 6.573 13.284 7.945 1.00 20.44 H new ATOM 0 HB3 ARG A 76 7.632 12.065 7.263 1.00 20.44 H new ATOM 0 HG2 ARG A 76 8.187 14.980 6.685 1.00 12.41 H new ATOM 0 HG3 ARG A 76 8.609 14.323 8.254 1.00 12.41 H new ATOM 0 HD2 ARG A 76 10.570 14.145 6.859 1.00 60.24 H new ATOM 0 HD3 ARG A 76 9.954 12.522 7.100 1.00 60.24 H new ATOM 0 HE ARG A 76 8.938 13.663 4.634 1.00 43.11 H new ATOM 0 HH11 ARG A 76 11.663 11.998 6.095 1.00 50.30 H new ATOM 0 HH12 ARG A 76 12.306 11.483 4.532 1.00 50.30 H new ATOM 0 HH21 ARG A 76 9.840 13.039 2.692 1.00 4.22 H new ATOM 0 HH22 ARG A 76 11.306 12.054 2.669 1.00 4.22 H new ATOM 1217 N PHE A 77 4.456 11.685 6.161 1.00 11.25 N ATOM 1218 CA PHE A 77 3.594 10.485 6.031 1.00 43.14 C ATOM 1219 C PHE A 77 3.188 10.238 4.556 1.00 64.13 C ATOM 1220 O PHE A 77 3.187 9.098 4.102 1.00 54.43 O ATOM 1221 CB PHE A 77 2.338 10.621 6.936 1.00 11.31 C ATOM 1222 CG PHE A 77 1.352 9.451 6.841 1.00 71.42 C ATOM 1223 CD1 PHE A 77 1.741 8.169 7.226 1.00 70.20 C ATOM 1224 CD2 PHE A 77 0.052 9.626 6.356 1.00 64.11 C ATOM 1225 CE1 PHE A 77 0.871 7.103 7.136 1.00 31.35 C ATOM 1226 CE2 PHE A 77 -0.818 8.555 6.265 1.00 71.42 C ATOM 1227 CZ PHE A 77 -0.405 7.293 6.655 1.00 42.03 C ATOM 0 H PHE A 77 4.029 12.438 6.701 1.00 11.25 H new ATOM 0 HA PHE A 77 4.168 9.620 6.362 1.00 43.14 H new ATOM 0 HB2 PHE A 77 2.662 10.722 7.972 1.00 11.31 H new ATOM 0 HB3 PHE A 77 1.816 11.541 6.674 1.00 11.31 H new ATOM 0 HD1 PHE A 77 2.741 8.008 7.601 1.00 70.20 H new ATOM 0 HD2 PHE A 77 -0.276 10.608 6.049 1.00 64.11 H new ATOM 0 HE1 PHE A 77 1.191 6.118 7.443 1.00 31.35 H new ATOM 0 HE2 PHE A 77 -1.820 8.703 5.890 1.00 71.42 H new ATOM 0 HZ PHE A 77 -1.084 6.456 6.582 1.00 42.03 H new ATOM 1237 N ILE A 78 2.843 11.321 3.827 1.00 23.51 N ATOM 1238 CA ILE A 78 2.591 11.275 2.360 1.00 11.04 C ATOM 1239 C ILE A 78 3.876 10.841 1.607 1.00 33.15 C ATOM 1240 O ILE A 78 3.842 9.970 0.733 1.00 32.03 O ATOM 1241 CB ILE A 78 2.107 12.682 1.831 1.00 22.53 C ATOM 1242 CG1 ILE A 78 0.761 13.094 2.510 1.00 1.21 C ATOM 1243 CG2 ILE A 78 1.987 12.723 0.283 1.00 10.31 C ATOM 1244 CD1 ILE A 78 0.274 14.495 2.161 1.00 44.52 C ATOM 0 H ILE A 78 2.730 12.251 4.231 1.00 23.51 H new ATOM 0 HA ILE A 78 1.804 10.544 2.173 1.00 11.04 H new ATOM 0 HB ILE A 78 2.871 13.409 2.106 1.00 22.53 H new ATOM 0 HG12 ILE A 78 -0.008 12.376 2.226 1.00 1.21 H new ATOM 0 HG13 ILE A 78 0.879 13.024 3.591 1.00 1.21 H new ATOM 0 HG21 ILE A 78 1.651 13.712 -0.030 1.00 10.31 H new ATOM 0 HG22 ILE A 78 2.959 12.512 -0.163 1.00 10.31 H new ATOM 0 HG23 ILE A 78 1.267 11.974 -0.046 1.00 10.31 H new ATOM 0 HD11 ILE A 78 -0.665 14.693 2.677 1.00 44.52 H new ATOM 0 HD12 ILE A 78 1.020 15.227 2.471 1.00 44.52 H new ATOM 0 HD13 ILE A 78 0.119 14.569 1.085 1.00 44.52 H new ATOM 1256 N GLU A 79 5.010 11.448 2.002 1.00 22.12 N ATOM 1257 CA GLU A 79 6.354 11.126 1.463 1.00 21.53 C ATOM 1258 C GLU A 79 6.742 9.644 1.714 1.00 30.30 C ATOM 1259 O GLU A 79 7.453 9.024 0.909 1.00 3.20 O ATOM 1260 CB GLU A 79 7.400 12.109 2.065 1.00 3.25 C ATOM 1261 CG GLU A 79 7.166 13.584 1.658 1.00 54.03 C ATOM 1262 CD GLU A 79 8.162 14.560 2.297 1.00 32.32 C ATOM 1263 OE1 GLU A 79 9.227 14.807 1.699 1.00 53.51 O ATOM 1264 OE2 GLU A 79 7.906 15.058 3.413 1.00 64.45 O ATOM 0 H GLU A 79 5.025 12.182 2.710 1.00 22.12 H new ATOM 0 HA GLU A 79 6.335 11.252 0.380 1.00 21.53 H new ATOM 0 HB2 GLU A 79 7.376 12.032 3.152 1.00 3.25 H new ATOM 0 HB3 GLU A 79 8.397 11.806 1.746 1.00 3.25 H new ATOM 0 HG2 GLU A 79 7.232 13.668 0.573 1.00 54.03 H new ATOM 0 HG3 GLU A 79 6.154 13.874 1.939 1.00 54.03 H new ATOM 1271 N LEU A 80 6.236 9.089 2.828 1.00 10.54 N ATOM 1272 CA LEU A 80 6.371 7.664 3.165 1.00 53.13 C ATOM 1273 C LEU A 80 5.424 6.794 2.304 1.00 21.14 C ATOM 1274 O LEU A 80 5.844 5.759 1.802 1.00 12.14 O ATOM 1275 CB LEU A 80 6.118 7.440 4.682 1.00 23.35 C ATOM 1276 CG LEU A 80 7.260 7.939 5.629 1.00 14.12 C ATOM 1277 CD1 LEU A 80 6.820 7.949 7.105 1.00 41.11 C ATOM 1278 CD2 LEU A 80 8.547 7.104 5.437 1.00 34.24 C ATOM 0 H LEU A 80 5.717 9.623 3.525 1.00 10.54 H new ATOM 0 HA LEU A 80 7.392 7.354 2.941 1.00 53.13 H new ATOM 0 HB2 LEU A 80 5.192 7.945 4.958 1.00 23.35 H new ATOM 0 HB3 LEU A 80 5.964 6.375 4.855 1.00 23.35 H new ATOM 0 HG LEU A 80 7.481 8.970 5.352 1.00 14.12 H new ATOM 0 HD11 LEU A 80 7.642 8.302 7.727 1.00 41.11 H new ATOM 0 HD12 LEU A 80 5.964 8.613 7.225 1.00 41.11 H new ATOM 0 HD13 LEU A 80 6.542 6.940 7.409 1.00 41.11 H new ATOM 0 HD21 LEU A 80 9.323 7.473 6.107 1.00 34.24 H new ATOM 0 HD22 LEU A 80 8.339 6.058 5.663 1.00 34.24 H new ATOM 0 HD23 LEU A 80 8.887 7.192 4.405 1.00 34.24 H new ATOM 1290 N ASN A 81 4.166 7.242 2.103 1.00 44.33 N ATOM 1291 CA ASN A 81 3.160 6.505 1.285 1.00 13.44 C ATOM 1292 C ASN A 81 3.648 6.306 -0.180 1.00 54.21 C ATOM 1293 O ASN A 81 3.378 5.273 -0.804 1.00 54.41 O ATOM 1294 CB ASN A 81 1.797 7.249 1.275 1.00 64.03 C ATOM 1295 CG ASN A 81 1.113 7.372 2.639 1.00 44.33 C ATOM 1296 OD1 ASN A 81 1.311 6.559 3.528 1.00 54.12 O ATOM 1297 ND2 ASN A 81 0.267 8.376 2.803 1.00 35.52 N ATOM 0 H ASN A 81 3.815 8.115 2.496 1.00 44.33 H new ATOM 0 HA ASN A 81 3.032 5.526 1.747 1.00 13.44 H new ATOM 0 HB2 ASN A 81 1.950 8.250 0.871 1.00 64.03 H new ATOM 0 HB3 ASN A 81 1.123 6.730 0.593 1.00 64.03 H new ATOM 0 HD21 ASN A 81 -0.234 8.482 3.685 1.00 35.52 H new ATOM 0 HD22 ASN A 81 0.116 9.044 2.047 1.00 35.52 H new ATOM 1304 N PHE A 82 4.369 7.314 -0.708 1.00 42.14 N ATOM 1305 CA PHE A 82 5.007 7.249 -2.047 1.00 70.42 C ATOM 1306 C PHE A 82 6.097 6.154 -2.121 1.00 52.15 C ATOM 1307 O PHE A 82 6.060 5.307 -2.997 1.00 21.42 O ATOM 1308 CB PHE A 82 5.619 8.626 -2.436 1.00 65.05 C ATOM 1309 CG PHE A 82 4.659 9.582 -3.136 1.00 3.13 C ATOM 1310 CD1 PHE A 82 3.662 10.246 -2.430 1.00 64.33 C ATOM 1311 CD2 PHE A 82 4.768 9.826 -4.508 1.00 5.22 C ATOM 1312 CE1 PHE A 82 2.804 11.117 -3.069 1.00 2.45 C ATOM 1313 CE2 PHE A 82 3.907 10.697 -5.143 1.00 71.41 C ATOM 1314 CZ PHE A 82 2.925 11.338 -4.421 1.00 52.35 C ATOM 0 H PHE A 82 4.528 8.197 -0.223 1.00 42.14 H new ATOM 0 HA PHE A 82 4.222 6.990 -2.757 1.00 70.42 H new ATOM 0 HB2 PHE A 82 5.995 9.108 -1.533 1.00 65.05 H new ATOM 0 HB3 PHE A 82 6.477 8.455 -3.086 1.00 65.05 H new ATOM 0 HD1 PHE A 82 3.558 10.078 -1.368 1.00 64.33 H new ATOM 0 HD2 PHE A 82 5.537 9.326 -5.079 1.00 5.22 H new ATOM 0 HE1 PHE A 82 2.036 11.626 -2.506 1.00 2.45 H new ATOM 0 HE2 PHE A 82 4.003 10.876 -6.204 1.00 71.41 H new ATOM 0 HZ PHE A 82 2.248 12.017 -4.918 1.00 52.35 H new ATOM 1324 N LYS A 83 7.076 6.187 -1.207 1.00 21.41 N ATOM 1325 CA LYS A 83 8.216 5.228 -1.225 1.00 63.01 C ATOM 1326 C LYS A 83 7.789 3.794 -0.817 1.00 74.35 C ATOM 1327 O LYS A 83 8.439 2.811 -1.192 1.00 72.05 O ATOM 1328 CB LYS A 83 9.377 5.755 -0.343 1.00 44.24 C ATOM 1329 CG LYS A 83 9.027 5.945 1.147 1.00 14.32 C ATOM 1330 CD LYS A 83 10.136 6.676 1.940 1.00 3.41 C ATOM 1331 CE LYS A 83 11.478 5.923 1.945 1.00 51.15 C ATOM 1332 NZ LYS A 83 12.506 6.630 2.744 1.00 23.45 N ATOM 0 H LYS A 83 7.112 6.862 -0.443 1.00 21.41 H new ATOM 0 HA LYS A 83 8.571 5.156 -2.253 1.00 63.01 H new ATOM 0 HB2 LYS A 83 10.215 5.062 -0.419 1.00 44.24 H new ATOM 0 HB3 LYS A 83 9.716 6.709 -0.746 1.00 44.24 H new ATOM 0 HG2 LYS A 83 8.098 6.510 1.227 1.00 14.32 H new ATOM 0 HG3 LYS A 83 8.847 4.970 1.599 1.00 14.32 H new ATOM 0 HD2 LYS A 83 10.285 7.667 1.512 1.00 3.41 H new ATOM 0 HD3 LYS A 83 9.804 6.819 2.968 1.00 3.41 H new ATOM 0 HE2 LYS A 83 11.330 4.921 2.348 1.00 51.15 H new ATOM 0 HE3 LYS A 83 11.832 5.805 0.921 1.00 51.15 H new ATOM 0 HZ1 LYS A 83 13.395 6.090 2.722 1.00 23.45 H new ATOM 0 HZ2 LYS A 83 12.666 7.577 2.344 1.00 23.45 H new ATOM 0 HZ3 LYS A 83 12.180 6.720 3.727 1.00 23.45 H new ATOM 1346 N HIS A 84 6.699 3.700 -0.037 1.00 70.12 N ATOM 1347 CA HIS A 84 6.133 2.416 0.428 1.00 53.23 C ATOM 1348 C HIS A 84 5.239 1.722 -0.629 1.00 71.32 C ATOM 1349 O HIS A 84 5.254 0.499 -0.731 1.00 44.35 O ATOM 1350 CB HIS A 84 5.337 2.626 1.740 1.00 74.34 C ATOM 1351 CG HIS A 84 6.186 2.982 2.940 1.00 60.11 C ATOM 1352 ND1 HIS A 84 5.711 3.733 3.990 1.00 74.40 N ATOM 1353 CD2 HIS A 84 7.447 2.621 3.292 1.00 3.44 C ATOM 1354 CE1 HIS A 84 6.629 3.817 4.927 1.00 43.42 C ATOM 1355 NE2 HIS A 84 7.692 3.154 4.533 1.00 62.43 N ATOM 0 H HIS A 84 6.181 4.515 0.292 1.00 70.12 H new ATOM 0 HA HIS A 84 6.979 1.752 0.607 1.00 53.23 H new ATOM 0 HB2 HIS A 84 4.604 3.417 1.582 1.00 74.34 H new ATOM 0 HB3 HIS A 84 4.781 1.715 1.962 1.00 74.34 H new ATOM 0 HD1 HIS A 84 4.786 4.160 4.035 1.00 74.40 H new ATOM 0 HD2 HIS A 84 8.130 2.025 2.705 1.00 3.44 H new ATOM 0 HE1 HIS A 84 6.526 4.343 5.864 1.00 43.42 H new ATOM 1364 N LEU A 85 4.428 2.478 -1.392 1.00 13.41 N ATOM 1365 CA LEU A 85 3.479 1.859 -2.366 1.00 25.31 C ATOM 1366 C LEU A 85 3.948 2.013 -3.838 1.00 14.40 C ATOM 1367 O LEU A 85 3.747 1.115 -4.651 1.00 54.43 O ATOM 1368 CB LEU A 85 2.065 2.481 -2.154 1.00 73.13 C ATOM 1369 CG LEU A 85 1.494 2.362 -0.695 1.00 72.51 C ATOM 1370 CD1 LEU A 85 0.125 3.059 -0.548 1.00 33.25 C ATOM 1371 CD2 LEU A 85 1.419 0.887 -0.248 1.00 34.23 C ATOM 0 H LEU A 85 4.401 3.497 -1.363 1.00 13.41 H new ATOM 0 HA LEU A 85 3.443 0.786 -2.178 1.00 25.31 H new ATOM 0 HB2 LEU A 85 2.105 3.536 -2.427 1.00 73.13 H new ATOM 0 HB3 LEU A 85 1.368 2.001 -2.840 1.00 73.13 H new ATOM 0 HG LEU A 85 2.189 2.882 -0.035 1.00 72.51 H new ATOM 0 HD11 LEU A 85 -0.230 2.951 0.477 1.00 33.25 H new ATOM 0 HD12 LEU A 85 0.228 4.118 -0.786 1.00 33.25 H new ATOM 0 HD13 LEU A 85 -0.591 2.602 -1.231 1.00 33.25 H new ATOM 0 HD21 LEU A 85 1.020 0.834 0.765 1.00 34.23 H new ATOM 0 HD22 LEU A 85 0.766 0.335 -0.924 1.00 34.23 H new ATOM 0 HD23 LEU A 85 2.417 0.449 -0.269 1.00 34.23 H new ATOM 1383 N LEU A 86 4.646 3.113 -4.148 1.00 62.23 N ATOM 1384 CA LEU A 86 5.112 3.426 -5.532 1.00 73.21 C ATOM 1385 C LEU A 86 6.634 3.162 -5.676 1.00 50.03 C ATOM 1386 O LEU A 86 7.110 2.736 -6.733 1.00 1.22 O ATOM 1387 CB LEU A 86 4.781 4.916 -5.869 1.00 20.14 C ATOM 1388 CG LEU A 86 3.289 5.346 -5.658 1.00 42.30 C ATOM 1389 CD1 LEU A 86 3.090 6.858 -5.909 1.00 63.50 C ATOM 1390 CD2 LEU A 86 2.333 4.500 -6.527 1.00 33.32 C ATOM 0 H LEU A 86 4.910 3.817 -3.459 1.00 62.23 H new ATOM 0 HA LEU A 86 4.592 2.774 -6.235 1.00 73.21 H new ATOM 0 HB2 LEU A 86 5.415 5.557 -5.256 1.00 20.14 H new ATOM 0 HB3 LEU A 86 5.050 5.102 -6.909 1.00 20.14 H new ATOM 0 HG LEU A 86 3.041 5.156 -4.614 1.00 42.30 H new ATOM 0 HD11 LEU A 86 2.043 7.118 -5.753 1.00 63.50 H new ATOM 0 HD12 LEU A 86 3.712 7.427 -5.218 1.00 63.50 H new ATOM 0 HD13 LEU A 86 3.374 7.097 -6.934 1.00 63.50 H new ATOM 0 HD21 LEU A 86 1.306 4.823 -6.358 1.00 33.32 H new ATOM 0 HD22 LEU A 86 2.586 4.631 -7.579 1.00 33.32 H new ATOM 0 HD23 LEU A 86 2.432 3.448 -6.258 1.00 33.32 H new ATOM 1402 N GLY A 87 7.383 3.404 -4.581 1.00 42.11 N ATOM 1403 CA GLY A 87 8.851 3.298 -4.572 1.00 55.14 C ATOM 1404 C GLY A 87 9.575 4.606 -4.923 1.00 51.44 C ATOM 1405 O GLY A 87 10.757 4.576 -5.283 1.00 33.31 O ATOM 0 H GLY A 87 6.986 3.677 -3.682 1.00 42.11 H new ATOM 0 HA2 GLY A 87 9.175 2.969 -3.585 1.00 55.14 H new ATOM 0 HA3 GLY A 87 9.153 2.526 -5.280 1.00 55.14 H new ATOM 1409 N ARG A 88 8.874 5.763 -4.803 1.00 15.44 N ATOM 1410 CA ARG A 88 9.429 7.106 -5.171 1.00 0.44 C ATOM 1411 C ARG A 88 9.290 8.149 -4.021 1.00 15.22 C ATOM 1412 O ARG A 88 8.728 7.861 -2.971 1.00 34.11 O ATOM 1413 CB ARG A 88 8.731 7.654 -6.448 1.00 23.05 C ATOM 1414 CG ARG A 88 8.876 6.768 -7.710 1.00 73.21 C ATOM 1415 CD ARG A 88 8.341 7.456 -8.982 1.00 35.50 C ATOM 1416 NE ARG A 88 6.934 7.879 -8.838 1.00 74.02 N ATOM 1417 CZ ARG A 88 6.463 9.098 -9.009 1.00 5.52 C ATOM 1418 NH1 ARG A 88 7.237 10.091 -9.324 1.00 35.53 N ATOM 1419 NH2 ARG A 88 5.202 9.307 -8.871 1.00 14.20 N ATOM 0 H ARG A 88 7.917 5.799 -4.453 1.00 15.44 H new ATOM 0 HA ARG A 88 10.492 6.959 -5.361 1.00 0.44 H new ATOM 0 HB2 ARG A 88 7.670 7.785 -6.235 1.00 23.05 H new ATOM 0 HB3 ARG A 88 9.136 8.642 -6.669 1.00 23.05 H new ATOM 0 HG2 ARG A 88 9.926 6.515 -7.853 1.00 73.21 H new ATOM 0 HG3 ARG A 88 8.340 5.831 -7.555 1.00 73.21 H new ATOM 0 HD2 ARG A 88 8.958 8.325 -9.210 1.00 35.50 H new ATOM 0 HD3 ARG A 88 8.428 6.773 -9.827 1.00 35.50 H new ATOM 0 HE ARG A 88 6.261 7.157 -8.581 1.00 74.02 H new ATOM 0 HH11 ARG A 88 8.238 9.939 -9.446 1.00 35.53 H new ATOM 0 HH12 ARG A 88 6.844 11.024 -9.450 1.00 35.53 H new ATOM 0 HH21 ARG A 88 4.580 8.535 -8.632 1.00 14.20 H new ATOM 0 HH22 ARG A 88 4.823 10.245 -9.000 1.00 14.20 H new ATOM 1433 N ALA A 89 9.824 9.370 -4.248 1.00 35.04 N ATOM 1434 CA ALA A 89 9.757 10.501 -3.284 1.00 24.22 C ATOM 1435 C ALA A 89 9.052 11.745 -3.913 1.00 15.33 C ATOM 1436 O ALA A 89 9.481 12.220 -4.970 1.00 30.54 O ATOM 1437 CB ALA A 89 11.172 10.853 -2.789 1.00 50.52 C ATOM 0 H ALA A 89 10.318 9.604 -5.109 1.00 35.04 H new ATOM 0 HA ALA A 89 9.156 10.191 -2.429 1.00 24.22 H new ATOM 0 HB1 ALA A 89 11.115 11.682 -2.084 1.00 50.52 H new ATOM 0 HB2 ALA A 89 11.611 9.986 -2.295 1.00 50.52 H new ATOM 0 HB3 ALA A 89 11.793 11.141 -3.637 1.00 50.52 H new ATOM 1443 N PRO A 90 7.953 12.292 -3.289 1.00 45.23 N ATOM 1444 CA PRO A 90 7.227 13.471 -3.819 1.00 32.34 C ATOM 1445 C PRO A 90 7.927 14.796 -3.431 1.00 55.35 C ATOM 1446 O PRO A 90 7.478 15.534 -2.542 1.00 34.10 O ATOM 1447 CB PRO A 90 5.842 13.334 -3.160 1.00 62.22 C ATOM 1448 CG PRO A 90 6.144 12.749 -1.814 1.00 43.33 C ATOM 1449 CD PRO A 90 7.361 11.843 -2.005 1.00 73.30 C ATOM 0 HA PRO A 90 7.182 13.501 -4.908 1.00 32.34 H new ATOM 0 HB2 PRO A 90 5.343 14.299 -3.074 1.00 62.22 H new ATOM 0 HB3 PRO A 90 5.185 12.686 -3.740 1.00 62.22 H new ATOM 0 HG2 PRO A 90 6.353 13.534 -1.087 1.00 43.33 H new ATOM 0 HG3 PRO A 90 5.293 12.183 -1.436 1.00 43.33 H new ATOM 0 HD2 PRO A 90 8.068 11.948 -1.182 1.00 73.30 H new ATOM 0 HD3 PRO A 90 7.073 10.793 -2.045 1.00 73.30 H new ATOM 1457 N TYR A 91 9.051 15.072 -4.099 1.00 0.21 N ATOM 1458 CA TYR A 91 9.845 16.300 -3.873 1.00 31.34 C ATOM 1459 C TYR A 91 9.064 17.582 -4.290 1.00 5.14 C ATOM 1460 O TYR A 91 9.444 18.698 -3.915 1.00 20.04 O ATOM 1461 CB TYR A 91 11.198 16.199 -4.624 1.00 44.55 C ATOM 1462 CG TYR A 91 11.078 16.189 -6.157 1.00 53.44 C ATOM 1463 CD1 TYR A 91 10.858 15.000 -6.853 1.00 54.22 C ATOM 1464 CD2 TYR A 91 11.172 17.370 -6.899 1.00 25.23 C ATOM 1465 CE1 TYR A 91 10.744 14.990 -8.226 1.00 13.40 C ATOM 1466 CE2 TYR A 91 11.059 17.365 -8.268 1.00 2.24 C ATOM 1467 CZ TYR A 91 10.849 16.173 -8.932 1.00 25.13 C ATOM 1468 OH TYR A 91 10.743 16.163 -10.306 1.00 13.02 O ATOM 0 H TYR A 91 9.442 14.456 -4.812 1.00 0.21 H new ATOM 0 HA TYR A 91 10.040 16.385 -2.804 1.00 31.34 H new ATOM 0 HB2 TYR A 91 11.827 17.038 -4.327 1.00 44.55 H new ATOM 0 HB3 TYR A 91 11.708 15.290 -4.306 1.00 44.55 H new ATOM 0 HD1 TYR A 91 10.776 14.072 -6.306 1.00 54.22 H new ATOM 0 HD2 TYR A 91 11.337 18.306 -6.385 1.00 25.23 H new ATOM 0 HE1 TYR A 91 10.573 14.060 -8.749 1.00 13.40 H new ATOM 0 HE2 TYR A 91 11.134 18.289 -8.822 1.00 2.24 H new ATOM 0 HH TYR A 91 10.838 17.076 -10.648 1.00 13.02 H new ATOM 1478 N ASP A 92 7.989 17.403 -5.091 1.00 72.51 N ATOM 1479 CA ASP A 92 7.098 18.499 -5.505 1.00 43.53 C ATOM 1480 C ASP A 92 6.045 18.785 -4.415 1.00 12.01 C ATOM 1481 O ASP A 92 5.290 17.893 -4.019 1.00 74.34 O ATOM 1482 CB ASP A 92 6.396 18.147 -6.842 1.00 30.42 C ATOM 1483 CG ASP A 92 7.384 17.954 -7.998 1.00 31.32 C ATOM 1484 OD1 ASP A 92 7.913 18.967 -8.505 1.00 11.54 O ATOM 1485 OD2 ASP A 92 7.631 16.800 -8.411 1.00 42.22 O ATOM 0 H ASP A 92 7.719 16.493 -5.466 1.00 72.51 H new ATOM 0 HA ASP A 92 7.702 19.395 -5.648 1.00 43.53 H new ATOM 0 HB2 ASP A 92 5.813 17.235 -6.712 1.00 30.42 H new ATOM 0 HB3 ASP A 92 5.694 18.940 -7.099 1.00 30.42 H new ATOM 1490 N GLN A 93 6.010 20.035 -3.938 1.00 13.42 N ATOM 1491 CA GLN A 93 5.005 20.488 -2.947 1.00 24.42 C ATOM 1492 C GLN A 93 3.574 20.528 -3.529 1.00 22.41 C ATOM 1493 O GLN A 93 2.608 20.444 -2.774 1.00 52.13 O ATOM 1494 CB GLN A 93 5.373 21.866 -2.342 1.00 75.54 C ATOM 1495 CG GLN A 93 6.645 21.855 -1.467 1.00 52.01 C ATOM 1496 CD GLN A 93 6.730 23.063 -0.529 1.00 55.33 C ATOM 1497 OE1 GLN A 93 7.293 24.101 -0.862 1.00 45.14 O ATOM 1498 NE2 GLN A 93 6.165 22.926 0.658 1.00 20.55 N ATOM 0 H GLN A 93 6.668 20.762 -4.220 1.00 13.42 H new ATOM 0 HA GLN A 93 5.018 19.745 -2.149 1.00 24.42 H new ATOM 0 HB2 GLN A 93 5.510 22.581 -3.153 1.00 75.54 H new ATOM 0 HB3 GLN A 93 4.536 22.222 -1.741 1.00 75.54 H new ATOM 0 HG2 GLN A 93 6.666 20.939 -0.876 1.00 52.01 H new ATOM 0 HG3 GLN A 93 7.524 21.839 -2.112 1.00 52.01 H new ATOM 0 HE21 GLN A 93 5.704 22.050 0.906 1.00 20.55 H new ATOM 0 HE22 GLN A 93 6.190 23.696 1.326 1.00 20.55 H new ATOM 1507 N ALA A 94 3.446 20.693 -4.862 1.00 45.21 N ATOM 1508 CA ALA A 94 2.145 20.571 -5.568 1.00 52.15 C ATOM 1509 C ALA A 94 1.610 19.122 -5.494 1.00 53.25 C ATOM 1510 O ALA A 94 0.401 18.894 -5.378 1.00 74.43 O ATOM 1511 CB ALA A 94 2.297 21.024 -7.030 1.00 52.04 C ATOM 0 H ALA A 94 4.230 20.912 -5.477 1.00 45.21 H new ATOM 0 HA ALA A 94 1.419 21.218 -5.075 1.00 52.15 H new ATOM 0 HB1 ALA A 94 1.339 20.932 -7.541 1.00 52.04 H new ATOM 0 HB2 ALA A 94 2.624 22.064 -7.057 1.00 52.04 H new ATOM 0 HB3 ALA A 94 3.037 20.398 -7.530 1.00 52.04 H new ATOM 1517 N GLU A 95 2.543 18.158 -5.547 1.00 64.33 N ATOM 1518 CA GLU A 95 2.243 16.717 -5.443 1.00 1.11 C ATOM 1519 C GLU A 95 1.802 16.338 -4.002 1.00 23.13 C ATOM 1520 O GLU A 95 0.802 15.638 -3.809 1.00 12.21 O ATOM 1521 CB GLU A 95 3.497 15.913 -5.878 1.00 45.14 C ATOM 1522 CG GLU A 95 3.312 14.393 -5.986 1.00 41.02 C ATOM 1523 CD GLU A 95 2.270 13.970 -7.037 1.00 60.21 C ATOM 1524 OE1 GLU A 95 2.511 14.190 -8.245 1.00 0.11 O ATOM 1525 OE2 GLU A 95 1.215 13.411 -6.665 1.00 11.31 O ATOM 0 H GLU A 95 3.537 18.357 -5.664 1.00 64.33 H new ATOM 0 HA GLU A 95 1.411 16.472 -6.103 1.00 1.11 H new ATOM 0 HB2 GLU A 95 3.829 16.289 -6.846 1.00 45.14 H new ATOM 0 HB3 GLU A 95 4.298 16.113 -5.167 1.00 45.14 H new ATOM 0 HG2 GLU A 95 4.270 13.936 -6.233 1.00 41.02 H new ATOM 0 HG3 GLU A 95 3.013 14.002 -5.013 1.00 41.02 H new ATOM 1532 N VAL A 96 2.540 16.850 -2.996 1.00 0.22 N ATOM 1533 CA VAL A 96 2.227 16.626 -1.564 1.00 42.44 C ATOM 1534 C VAL A 96 0.874 17.288 -1.184 1.00 32.05 C ATOM 1535 O VAL A 96 0.041 16.669 -0.529 1.00 60.31 O ATOM 1536 CB VAL A 96 3.374 17.170 -0.628 1.00 22.32 C ATOM 1537 CG1 VAL A 96 3.045 16.945 0.873 1.00 65.02 C ATOM 1538 CG2 VAL A 96 4.738 16.532 -0.998 1.00 31.03 C ATOM 0 H VAL A 96 3.366 17.428 -3.149 1.00 0.22 H new ATOM 0 HA VAL A 96 2.148 15.549 -1.415 1.00 42.44 H new ATOM 0 HB VAL A 96 3.445 18.246 -0.788 1.00 22.32 H new ATOM 0 HG11 VAL A 96 3.859 17.333 1.486 1.00 65.02 H new ATOM 0 HG12 VAL A 96 2.121 17.465 1.125 1.00 65.02 H new ATOM 0 HG13 VAL A 96 2.924 15.879 1.063 1.00 65.02 H new ATOM 0 HG21 VAL A 96 5.513 16.923 -0.339 1.00 31.03 H new ATOM 0 HG22 VAL A 96 4.676 15.450 -0.884 1.00 31.03 H new ATOM 0 HG23 VAL A 96 4.985 16.774 -2.032 1.00 31.03 H new ATOM 1548 N ALA A 97 0.675 18.544 -1.631 1.00 33.11 N ATOM 1549 CA ALA A 97 -0.575 19.321 -1.401 1.00 3.12 C ATOM 1550 C ALA A 97 -1.814 18.656 -2.053 1.00 74.53 C ATOM 1551 O ALA A 97 -2.918 18.714 -1.500 1.00 54.53 O ATOM 1552 CB ALA A 97 -0.410 20.767 -1.908 1.00 41.21 C ATOM 0 H ALA A 97 1.376 19.057 -2.165 1.00 33.11 H new ATOM 0 HA ALA A 97 -0.750 19.336 -0.325 1.00 3.12 H new ATOM 0 HB1 ALA A 97 -1.332 21.321 -1.733 1.00 41.21 H new ATOM 0 HB2 ALA A 97 0.410 21.248 -1.375 1.00 41.21 H new ATOM 0 HB3 ALA A 97 -0.191 20.755 -2.976 1.00 41.21 H new ATOM 1558 N ALA A 98 -1.613 18.020 -3.225 1.00 53.34 N ATOM 1559 CA ALA A 98 -2.673 17.257 -3.930 1.00 15.33 C ATOM 1560 C ALA A 98 -3.179 16.066 -3.080 1.00 72.41 C ATOM 1561 O ALA A 98 -4.387 15.863 -2.919 1.00 34.25 O ATOM 1562 CB ALA A 98 -2.152 16.762 -5.289 1.00 23.23 C ATOM 0 H ALA A 98 -0.716 18.018 -3.711 1.00 53.34 H new ATOM 0 HA ALA A 98 -3.517 17.928 -4.093 1.00 15.33 H new ATOM 0 HB1 ALA A 98 -2.937 16.203 -5.798 1.00 23.23 H new ATOM 0 HB2 ALA A 98 -1.860 17.616 -5.900 1.00 23.23 H new ATOM 0 HB3 ALA A 98 -1.289 16.115 -5.134 1.00 23.23 H new ATOM 1568 N HIS A 99 -2.228 15.294 -2.523 1.00 41.13 N ATOM 1569 CA HIS A 99 -2.528 14.124 -1.665 1.00 72.51 C ATOM 1570 C HIS A 99 -3.021 14.530 -0.262 1.00 75.14 C ATOM 1571 O HIS A 99 -3.809 13.812 0.340 1.00 2.32 O ATOM 1572 CB HIS A 99 -1.287 13.209 -1.577 1.00 64.11 C ATOM 1573 CG HIS A 99 -1.066 12.421 -2.836 1.00 41.24 C ATOM 1574 ND1 HIS A 99 -0.403 12.723 -3.971 1.00 64.51 N flip ATOM 1575 CD2 HIS A 99 -1.625 11.179 -3.044 1.00 23.22 C flip ATOM 1576 CE1 HIS A 99 -0.578 11.676 -4.836 1.00 20.43 C flip ATOM 1577 NE2 HIS A 99 -1.320 10.757 -4.255 1.00 35.24 N flip ATOM 0 H HIS A 99 -1.230 15.460 -2.652 1.00 41.13 H new ATOM 0 HA HIS A 99 -3.347 13.574 -2.128 1.00 72.51 H new ATOM 0 HB2 HIS A 99 -0.405 13.816 -1.372 1.00 64.11 H new ATOM 0 HB3 HIS A 99 -1.404 12.523 -0.738 1.00 64.11 H new ATOM 0 HD1 HIS A 99 0.130 13.574 -4.152 1.00 64.51 H new ATOM 0 HD2 HIS A 99 -2.221 10.635 -2.326 1.00 23.22 H new ATOM 0 HE1 HIS A 99 -0.172 11.614 -5.835 1.00 20.43 H new ATOM 1586 N ALA A 100 -2.539 15.672 0.250 1.00 2.12 N ATOM 1587 CA ALA A 100 -3.024 16.261 1.518 1.00 50.43 C ATOM 1588 C ALA A 100 -4.511 16.667 1.423 1.00 21.15 C ATOM 1589 O ALA A 100 -5.299 16.402 2.336 1.00 40.13 O ATOM 1590 CB ALA A 100 -2.151 17.465 1.910 1.00 73.45 C ATOM 0 H ALA A 100 -1.803 16.217 -0.199 1.00 2.12 H new ATOM 0 HA ALA A 100 -2.945 15.502 2.296 1.00 50.43 H new ATOM 0 HB1 ALA A 100 -2.517 17.891 2.844 1.00 73.45 H new ATOM 0 HB2 ALA A 100 -1.119 17.139 2.039 1.00 73.45 H new ATOM 0 HB3 ALA A 100 -2.198 18.219 1.125 1.00 73.45 H new ATOM 1596 N ALA A 101 -4.884 17.288 0.292 1.00 12.01 N ATOM 1597 CA ALA A 101 -6.277 17.709 0.021 1.00 44.03 C ATOM 1598 C ALA A 101 -7.219 16.493 -0.159 1.00 4.12 C ATOM 1599 O ALA A 101 -8.360 16.513 0.308 1.00 23.41 O ATOM 1600 CB ALA A 101 -6.324 18.621 -1.214 1.00 0.14 C ATOM 0 H ALA A 101 -4.234 17.514 -0.461 1.00 12.01 H new ATOM 0 HA ALA A 101 -6.632 18.268 0.887 1.00 44.03 H new ATOM 0 HB1 ALA A 101 -7.354 18.924 -1.403 1.00 0.14 H new ATOM 0 HB2 ALA A 101 -5.712 19.505 -1.037 1.00 0.14 H new ATOM 0 HB3 ALA A 101 -5.940 18.081 -2.080 1.00 0.14 H new ATOM 1606 N THR A 102 -6.719 15.439 -0.833 1.00 43.21 N ATOM 1607 CA THR A 102 -7.441 14.145 -0.987 1.00 65.11 C ATOM 1608 C THR A 102 -7.651 13.465 0.388 1.00 14.13 C ATOM 1609 O THR A 102 -8.740 12.965 0.693 1.00 65.52 O ATOM 1610 CB THR A 102 -6.658 13.177 -1.948 1.00 51.11 C ATOM 1611 OG1 THR A 102 -6.521 13.799 -3.237 1.00 65.32 O ATOM 1612 CG2 THR A 102 -7.341 11.804 -2.123 1.00 64.32 C ATOM 0 H THR A 102 -5.806 15.453 -1.288 1.00 43.21 H new ATOM 0 HA THR A 102 -8.416 14.359 -1.425 1.00 65.11 H new ATOM 0 HB THR A 102 -5.686 12.995 -1.489 1.00 51.11 H new ATOM 0 HG1 THR A 102 -5.830 14.492 -3.194 1.00 65.32 H new ATOM 0 HG21 THR A 102 -6.748 11.186 -2.798 1.00 64.32 H new ATOM 0 HG22 THR A 102 -7.420 11.311 -1.154 1.00 64.32 H new ATOM 0 HG23 THR A 102 -8.338 11.944 -2.541 1.00 64.32 H new ATOM 1620 N TYR A 103 -6.583 13.467 1.198 1.00 4.52 N ATOM 1621 CA TYR A 103 -6.568 12.931 2.574 1.00 42.42 C ATOM 1622 C TYR A 103 -7.621 13.598 3.500 1.00 5.34 C ATOM 1623 O TYR A 103 -8.271 12.923 4.290 1.00 35.15 O ATOM 1624 CB TYR A 103 -5.143 13.137 3.147 1.00 61.30 C ATOM 1625 CG TYR A 103 -4.849 12.425 4.473 1.00 21.54 C ATOM 1626 CD1 TYR A 103 -5.091 13.042 5.707 1.00 22.41 C ATOM 1627 CD2 TYR A 103 -4.308 11.139 4.483 1.00 11.43 C ATOM 1628 CE1 TYR A 103 -4.804 12.392 6.894 1.00 2.55 C ATOM 1629 CE2 TYR A 103 -4.021 10.493 5.660 1.00 21.25 C ATOM 1630 CZ TYR A 103 -4.269 11.116 6.861 1.00 31.04 C ATOM 1631 OH TYR A 103 -3.981 10.458 8.037 1.00 31.45 O ATOM 0 H TYR A 103 -5.682 13.850 0.911 1.00 4.52 H new ATOM 0 HA TYR A 103 -6.832 11.874 2.535 1.00 42.42 H new ATOM 0 HB2 TYR A 103 -4.421 12.796 2.405 1.00 61.30 H new ATOM 0 HB3 TYR A 103 -4.978 14.206 3.285 1.00 61.30 H new ATOM 0 HD1 TYR A 103 -5.507 14.038 5.732 1.00 22.41 H new ATOM 0 HD2 TYR A 103 -4.111 10.641 3.545 1.00 11.43 H new ATOM 0 HE1 TYR A 103 -4.996 12.877 7.840 1.00 2.55 H new ATOM 0 HE2 TYR A 103 -3.601 9.498 5.643 1.00 21.25 H new ATOM 0 HH TYR A 103 -3.315 10.968 8.543 1.00 31.45 H new ATOM 1641 N HIS A 104 -7.733 14.935 3.444 1.00 71.12 N ATOM 1642 CA HIS A 104 -8.702 15.688 4.282 1.00 73.52 C ATOM 1643 C HIS A 104 -10.154 15.628 3.731 1.00 11.12 C ATOM 1644 O HIS A 104 -11.101 15.432 4.498 1.00 43.02 O ATOM 1645 CB HIS A 104 -8.234 17.153 4.472 1.00 34.32 C ATOM 1646 CG HIS A 104 -6.961 17.277 5.278 1.00 14.54 C ATOM 1647 ND1 HIS A 104 -6.843 16.789 6.559 1.00 21.12 N ATOM 1648 CD2 HIS A 104 -5.752 17.815 4.981 1.00 53.15 C ATOM 1649 CE1 HIS A 104 -5.630 17.015 7.013 1.00 43.22 C ATOM 1650 NE2 HIS A 104 -4.946 17.637 6.077 1.00 21.55 N ATOM 0 H HIS A 104 -7.169 15.523 2.831 1.00 71.12 H new ATOM 0 HA HIS A 104 -8.726 15.199 5.256 1.00 73.52 H new ATOM 0 HB2 HIS A 104 -8.081 17.608 3.493 1.00 34.32 H new ATOM 0 HB3 HIS A 104 -9.025 17.718 4.966 1.00 34.32 H new ATOM 0 HD2 HIS A 104 -5.475 18.295 4.054 1.00 53.15 H new ATOM 0 HE1 HIS A 104 -5.258 16.737 7.988 1.00 43.22 H new ATOM 0 HE2 HIS A 104 -3.974 17.938 6.154 1.00 21.55 H new ATOM 1659 N SER A 105 -10.313 15.768 2.401 1.00 64.52 N ATOM 1660 CA SER A 105 -11.656 15.918 1.766 1.00 61.04 C ATOM 1661 C SER A 105 -12.369 14.563 1.549 1.00 51.52 C ATOM 1662 O SER A 105 -13.584 14.465 1.707 1.00 14.30 O ATOM 1663 CB SER A 105 -11.523 16.650 0.407 1.00 45.42 C ATOM 1664 OG SER A 105 -12.771 16.756 -0.269 1.00 50.44 O ATOM 0 H SER A 105 -9.537 15.782 1.739 1.00 64.52 H new ATOM 0 HA SER A 105 -12.265 16.504 2.454 1.00 61.04 H new ATOM 0 HB2 SER A 105 -11.115 17.647 0.571 1.00 45.42 H new ATOM 0 HB3 SER A 105 -10.814 16.115 -0.224 1.00 45.42 H new ATOM 0 HG SER A 105 -12.643 17.225 -1.120 1.00 50.44 H new ATOM 1670 N HIS A 106 -11.605 13.517 1.186 1.00 33.22 N ATOM 1671 CA HIS A 106 -12.161 12.156 0.935 1.00 45.41 C ATOM 1672 C HIS A 106 -11.680 11.113 1.972 1.00 62.22 C ATOM 1673 O HIS A 106 -12.127 9.958 1.947 1.00 3.44 O ATOM 1674 CB HIS A 106 -11.818 11.704 -0.502 1.00 22.12 C ATOM 1675 CG HIS A 106 -12.545 12.451 -1.583 1.00 1.55 C ATOM 1676 ND1 HIS A 106 -13.756 12.033 -2.097 1.00 74.33 N ATOM 1677 CD2 HIS A 106 -12.227 13.580 -2.258 1.00 13.23 C ATOM 1678 CE1 HIS A 106 -14.147 12.867 -3.035 1.00 72.20 C ATOM 1679 NE2 HIS A 106 -13.240 13.813 -3.152 1.00 21.13 N ATOM 0 H HIS A 106 -10.595 13.579 1.057 1.00 33.22 H new ATOM 0 HA HIS A 106 -13.244 12.221 1.045 1.00 45.41 H new ATOM 0 HB2 HIS A 106 -10.745 11.818 -0.658 1.00 22.12 H new ATOM 0 HB3 HIS A 106 -12.043 10.642 -0.598 1.00 22.12 H new ATOM 0 HD2 HIS A 106 -11.342 14.184 -2.119 1.00 13.23 H new ATOM 0 HE1 HIS A 106 -15.057 12.789 -3.611 1.00 72.20 H new ATOM 0 HE2 HIS A 106 -13.284 14.596 -3.805 1.00 21.13 H new ATOM 1688 N GLY A 107 -10.760 11.512 2.864 1.00 43.21 N ATOM 1689 CA GLY A 107 -10.327 10.655 3.980 1.00 54.14 C ATOM 1690 C GLY A 107 -9.000 9.911 3.745 1.00 53.22 C ATOM 1691 O GLY A 107 -8.459 9.899 2.632 1.00 65.21 O ATOM 0 H GLY A 107 -10.301 12.423 2.835 1.00 43.21 H new ATOM 0 HA2 GLY A 107 -10.229 11.270 4.875 1.00 54.14 H new ATOM 0 HA3 GLY A 107 -11.108 9.922 4.181 1.00 54.14 H new ATOM 1695 N TYR A 108 -8.500 9.292 4.834 1.00 71.11 N ATOM 1696 CA TYR A 108 -7.273 8.453 4.856 1.00 10.22 C ATOM 1697 C TYR A 108 -7.303 7.365 3.762 1.00 11.23 C ATOM 1698 O TYR A 108 -6.307 7.139 3.061 1.00 21.21 O ATOM 1699 CB TYR A 108 -7.174 7.801 6.263 1.00 20.43 C ATOM 1700 CG TYR A 108 -5.986 6.840 6.501 1.00 21.43 C ATOM 1701 CD1 TYR A 108 -4.772 7.313 6.992 1.00 23.52 C ATOM 1702 CD2 TYR A 108 -6.088 5.458 6.261 1.00 2.44 C ATOM 1703 CE1 TYR A 108 -3.711 6.464 7.224 1.00 1.52 C ATOM 1704 CE2 TYR A 108 -5.023 4.608 6.497 1.00 64.11 C ATOM 1705 CZ TYR A 108 -3.837 5.115 6.979 1.00 0.13 C ATOM 1706 OH TYR A 108 -2.770 4.274 7.224 1.00 20.32 O ATOM 0 H TYR A 108 -8.946 9.360 5.749 1.00 71.11 H new ATOM 0 HA TYR A 108 -6.403 9.077 4.653 1.00 10.22 H new ATOM 0 HB2 TYR A 108 -7.121 8.598 7.004 1.00 20.43 H new ATOM 0 HB3 TYR A 108 -8.098 7.253 6.450 1.00 20.43 H new ATOM 0 HD1 TYR A 108 -4.659 8.368 7.195 1.00 23.52 H new ATOM 0 HD2 TYR A 108 -7.016 5.053 5.885 1.00 2.44 H new ATOM 0 HE1 TYR A 108 -2.778 6.858 7.599 1.00 1.52 H new ATOM 0 HE2 TYR A 108 -5.121 3.550 6.304 1.00 64.11 H new ATOM 0 HH TYR A 108 -2.674 3.642 6.481 1.00 20.32 H new ATOM 1716 N ASP A 109 -8.469 6.702 3.644 1.00 2.40 N ATOM 1717 CA ASP A 109 -8.698 5.612 2.681 1.00 73.30 C ATOM 1718 C ASP A 109 -8.436 6.050 1.225 1.00 41.24 C ATOM 1719 O ASP A 109 -7.698 5.389 0.500 1.00 43.24 O ATOM 1720 CB ASP A 109 -10.137 5.063 2.832 1.00 21.45 C ATOM 1721 CG ASP A 109 -10.416 4.530 4.247 1.00 11.44 C ATOM 1722 OD1 ASP A 109 -10.803 5.332 5.125 1.00 64.21 O ATOM 1723 OD2 ASP A 109 -10.236 3.317 4.497 1.00 3.44 O ATOM 0 H ASP A 109 -9.284 6.911 4.220 1.00 2.40 H new ATOM 0 HA ASP A 109 -7.984 4.821 2.908 1.00 73.30 H new ATOM 0 HB2 ASP A 109 -10.851 5.853 2.597 1.00 21.45 H new ATOM 0 HB3 ASP A 109 -10.296 4.264 2.108 1.00 21.45 H new ATOM 1728 N ALA A 110 -9.013 7.201 0.842 1.00 41.33 N ATOM 1729 CA ALA A 110 -8.921 7.738 -0.537 1.00 33.11 C ATOM 1730 C ALA A 110 -7.480 8.115 -0.938 1.00 12.11 C ATOM 1731 O ALA A 110 -7.086 7.916 -2.097 1.00 14.45 O ATOM 1732 CB ALA A 110 -9.839 8.948 -0.685 1.00 44.20 C ATOM 0 H ALA A 110 -9.557 7.789 1.474 1.00 41.33 H new ATOM 0 HA ALA A 110 -9.239 6.943 -1.212 1.00 33.11 H new ATOM 0 HB1 ALA A 110 -9.767 9.338 -1.700 1.00 44.20 H new ATOM 0 HB2 ALA A 110 -10.868 8.651 -0.483 1.00 44.20 H new ATOM 0 HB3 ALA A 110 -9.539 9.721 0.022 1.00 44.20 H new ATOM 1738 N ASP A 111 -6.704 8.671 0.021 1.00 45.32 N ATOM 1739 CA ASP A 111 -5.277 8.991 -0.199 1.00 4.41 C ATOM 1740 C ASP A 111 -4.490 7.704 -0.538 1.00 14.54 C ATOM 1741 O ASP A 111 -3.839 7.630 -1.579 1.00 34.05 O ATOM 1742 CB ASP A 111 -4.662 9.706 1.038 1.00 62.42 C ATOM 1743 CG ASP A 111 -3.183 10.104 0.834 1.00 54.21 C ATOM 1744 OD1 ASP A 111 -2.882 10.746 -0.196 1.00 52.53 O ATOM 1745 OD2 ASP A 111 -2.316 9.754 1.676 1.00 40.54 O ATOM 0 H ASP A 111 -7.043 8.907 0.954 1.00 45.32 H new ATOM 0 HA ASP A 111 -5.206 9.677 -1.043 1.00 4.41 H new ATOM 0 HB2 ASP A 111 -5.245 10.599 1.261 1.00 62.42 H new ATOM 0 HB3 ASP A 111 -4.739 9.050 1.905 1.00 62.42 H new ATOM 1750 N ILE A 112 -4.631 6.679 0.323 1.00 2.24 N ATOM 1751 CA ILE A 112 -3.982 5.356 0.144 1.00 43.03 C ATOM 1752 C ILE A 112 -4.383 4.689 -1.206 1.00 73.25 C ATOM 1753 O ILE A 112 -3.529 4.167 -1.938 1.00 55.42 O ATOM 1754 CB ILE A 112 -4.335 4.408 1.351 1.00 34.42 C ATOM 1755 CG1 ILE A 112 -3.727 4.952 2.692 1.00 64.22 C ATOM 1756 CG2 ILE A 112 -3.925 2.935 1.088 1.00 62.33 C ATOM 1757 CD1 ILE A 112 -2.209 5.077 2.721 1.00 60.23 C ATOM 0 H ILE A 112 -5.200 6.740 1.168 1.00 2.24 H new ATOM 0 HA ILE A 112 -2.904 5.519 0.120 1.00 43.03 H new ATOM 0 HB ILE A 112 -5.420 4.409 1.452 1.00 34.42 H new ATOM 0 HG12 ILE A 112 -4.159 5.932 2.895 1.00 64.22 H new ATOM 0 HG13 ILE A 112 -4.035 4.293 3.504 1.00 64.22 H new ATOM 0 HG21 ILE A 112 -4.190 2.324 1.951 1.00 62.33 H new ATOM 0 HG22 ILE A 112 -4.447 2.564 0.206 1.00 62.33 H new ATOM 0 HG23 ILE A 112 -2.849 2.881 0.922 1.00 62.33 H new ATOM 0 HD11 ILE A 112 -1.894 5.461 3.691 1.00 60.23 H new ATOM 0 HD12 ILE A 112 -1.760 4.098 2.555 1.00 60.23 H new ATOM 0 HD13 ILE A 112 -1.885 5.762 1.937 1.00 60.23 H new ATOM 1769 N ASN A 113 -5.683 4.759 -1.532 1.00 42.21 N ATOM 1770 CA ASN A 113 -6.238 4.219 -2.792 1.00 44.12 C ATOM 1771 C ASN A 113 -5.667 4.963 -4.027 1.00 22.34 C ATOM 1772 O ASN A 113 -5.531 4.374 -5.097 1.00 30.21 O ATOM 1773 CB ASN A 113 -7.787 4.298 -2.784 1.00 31.23 C ATOM 1774 CG ASN A 113 -8.488 3.302 -1.843 1.00 65.21 C ATOM 1775 OD1 ASN A 113 -7.893 2.962 -0.708 1.00 71.23 O flip ATOM 1776 ND2 ASN A 113 -9.585 2.841 -2.132 1.00 63.54 N flip ATOM 0 H ASN A 113 -6.384 5.192 -0.931 1.00 42.21 H new ATOM 0 HA ASN A 113 -5.940 3.173 -2.863 1.00 44.12 H new ATOM 0 HB2 ASN A 113 -8.082 5.309 -2.502 1.00 31.23 H new ATOM 0 HB3 ASN A 113 -8.149 4.131 -3.799 1.00 31.23 H new ATOM 0 HD21 ASN A 113 -10.036 3.108 -3.007 1.00 63.54 H new ATOM 0 HD22 ASN A 113 -10.048 2.190 -1.498 1.00 63.54 H new ATOM 1783 N SER A 114 -5.328 6.260 -3.865 1.00 53.33 N ATOM 1784 CA SER A 114 -4.719 7.072 -4.951 1.00 53.30 C ATOM 1785 C SER A 114 -3.354 6.496 -5.413 1.00 31.01 C ATOM 1786 O SER A 114 -2.984 6.643 -6.577 1.00 2.34 O ATOM 1787 CB SER A 114 -4.552 8.550 -4.512 1.00 44.13 C ATOM 1788 OG SER A 114 -3.996 9.355 -5.550 1.00 13.43 O ATOM 0 H SER A 114 -5.464 6.771 -2.993 1.00 53.33 H new ATOM 0 HA SER A 114 -5.403 7.030 -5.799 1.00 53.30 H new ATOM 0 HB2 SER A 114 -5.522 8.953 -4.220 1.00 44.13 H new ATOM 0 HB3 SER A 114 -3.909 8.597 -3.633 1.00 44.13 H new ATOM 0 HG SER A 114 -3.198 9.815 -5.215 1.00 13.43 H new ATOM 1794 N TYR A 115 -2.611 5.857 -4.482 1.00 10.33 N ATOM 1795 CA TYR A 115 -1.316 5.191 -4.797 1.00 25.40 C ATOM 1796 C TYR A 115 -1.517 3.799 -5.442 1.00 50.05 C ATOM 1797 O TYR A 115 -0.800 3.436 -6.366 1.00 45.14 O ATOM 1798 CB TYR A 115 -0.460 5.035 -3.517 1.00 34.32 C ATOM 1799 CG TYR A 115 -0.285 6.336 -2.732 1.00 32.11 C ATOM 1800 CD1 TYR A 115 0.535 7.351 -3.203 1.00 24.11 C ATOM 1801 CD2 TYR A 115 -0.979 6.563 -1.546 1.00 43.54 C ATOM 1802 CE1 TYR A 115 0.655 8.533 -2.518 1.00 23.14 C ATOM 1803 CE2 TYR A 115 -0.866 7.756 -0.866 1.00 64.15 C ATOM 1804 CZ TYR A 115 -0.048 8.740 -1.358 1.00 13.02 C ATOM 1805 OH TYR A 115 0.069 9.941 -0.689 1.00 51.34 O ATOM 0 H TYR A 115 -2.883 5.785 -3.501 1.00 10.33 H new ATOM 0 HA TYR A 115 -0.801 5.830 -5.515 1.00 25.40 H new ATOM 0 HB2 TYR A 115 -0.923 4.290 -2.870 1.00 34.32 H new ATOM 0 HB3 TYR A 115 0.523 4.652 -3.792 1.00 34.32 H new ATOM 0 HD1 TYR A 115 1.086 7.209 -4.121 1.00 24.11 H new ATOM 0 HD2 TYR A 115 -1.619 5.788 -1.151 1.00 43.54 H new ATOM 0 HE1 TYR A 115 1.308 9.307 -2.894 1.00 23.14 H new ATOM 0 HE2 TYR A 115 -1.418 7.915 0.048 1.00 64.15 H new ATOM 0 HH TYR A 115 -0.824 10.289 -0.483 1.00 51.34 H new ATOM 1815 N ILE A 116 -2.501 3.037 -4.940 1.00 12.51 N ATOM 1816 CA ILE A 116 -2.742 1.631 -5.369 1.00 11.31 C ATOM 1817 C ILE A 116 -3.407 1.552 -6.770 1.00 10.35 C ATOM 1818 O ILE A 116 -3.038 0.726 -7.615 1.00 13.31 O ATOM 1819 CB ILE A 116 -3.641 0.885 -4.311 1.00 31.11 C ATOM 1820 CG1 ILE A 116 -3.002 0.959 -2.882 1.00 20.40 C ATOM 1821 CG2 ILE A 116 -3.928 -0.585 -4.727 1.00 45.41 C ATOM 1822 CD1 ILE A 116 -1.659 0.261 -2.733 1.00 54.22 C ATOM 0 H ILE A 116 -3.154 3.366 -4.229 1.00 12.51 H new ATOM 0 HA ILE A 116 -1.769 1.143 -5.435 1.00 11.31 H new ATOM 0 HB ILE A 116 -4.601 1.400 -4.278 1.00 31.11 H new ATOM 0 HG12 ILE A 116 -2.880 2.008 -2.611 1.00 20.40 H new ATOM 0 HG13 ILE A 116 -3.700 0.524 -2.167 1.00 20.40 H new ATOM 0 HG21 ILE A 116 -4.551 -1.062 -3.970 1.00 45.41 H new ATOM 0 HG22 ILE A 116 -4.448 -0.597 -5.685 1.00 45.41 H new ATOM 0 HG23 ILE A 116 -2.987 -1.128 -4.818 1.00 45.41 H new ATOM 0 HD11 ILE A 116 -1.304 0.371 -1.708 1.00 54.22 H new ATOM 0 HD12 ILE A 116 -1.771 -0.798 -2.967 1.00 54.22 H new ATOM 0 HD13 ILE A 116 -0.938 0.709 -3.417 1.00 54.22 H new ATOM 1834 N ASP A 117 -4.380 2.432 -7.000 1.00 63.11 N ATOM 1835 CA ASP A 117 -5.158 2.480 -8.255 1.00 22.10 C ATOM 1836 C ASP A 117 -4.496 3.396 -9.324 1.00 22.32 C ATOM 1837 O ASP A 117 -5.055 3.577 -10.418 1.00 61.20 O ATOM 1838 CB ASP A 117 -6.607 2.930 -7.941 1.00 51.30 C ATOM 1839 CG ASP A 117 -7.322 1.988 -6.952 1.00 55.33 C ATOM 1840 OD1 ASP A 117 -7.732 0.887 -7.367 1.00 71.22 O ATOM 1841 OD2 ASP A 117 -7.484 2.342 -5.759 1.00 62.54 O ATOM 0 H ASP A 117 -4.659 3.140 -6.321 1.00 63.11 H new ATOM 0 HA ASP A 117 -5.178 1.479 -8.686 1.00 22.10 H new ATOM 0 HB2 ASP A 117 -6.588 3.938 -7.527 1.00 51.30 H new ATOM 0 HB3 ASP A 117 -7.177 2.977 -8.869 1.00 51.30 H new ATOM 1846 N SER A 118 -3.301 3.961 -9.014 1.00 22.22 N ATOM 1847 CA SER A 118 -2.553 4.839 -9.956 1.00 22.32 C ATOM 1848 C SER A 118 -1.953 4.016 -11.118 1.00 32.05 C ATOM 1849 O SER A 118 -1.583 2.857 -10.934 1.00 15.11 O ATOM 1850 CB SER A 118 -1.408 5.597 -9.228 1.00 74.04 C ATOM 1851 OG SER A 118 -0.364 4.720 -8.828 1.00 73.45 O ATOM 0 H SER A 118 -2.833 3.825 -8.118 1.00 22.22 H new ATOM 0 HA SER A 118 -3.264 5.563 -10.354 1.00 22.32 H new ATOM 0 HB2 SER A 118 -1.004 6.365 -9.887 1.00 74.04 H new ATOM 0 HB3 SER A 118 -1.809 6.107 -8.352 1.00 74.04 H new ATOM 0 HG SER A 118 -0.597 4.303 -7.972 1.00 73.45 H new ATOM 1857 N ALA A 119 -1.851 4.636 -12.307 1.00 63.12 N ATOM 1858 CA ALA A 119 -1.330 3.977 -13.531 1.00 72.34 C ATOM 1859 C ALA A 119 0.167 3.575 -13.442 1.00 42.43 C ATOM 1860 O ALA A 119 0.616 2.710 -14.196 1.00 64.23 O ATOM 1861 CB ALA A 119 -1.586 4.858 -14.759 1.00 54.34 C ATOM 0 H ALA A 119 -2.126 5.607 -12.453 1.00 63.12 H new ATOM 0 HA ALA A 119 -1.880 3.041 -13.630 1.00 72.34 H new ATOM 0 HB1 ALA A 119 -1.199 4.363 -15.649 1.00 54.34 H new ATOM 0 HB2 ALA A 119 -2.658 5.022 -14.872 1.00 54.34 H new ATOM 0 HB3 ALA A 119 -1.084 5.817 -14.630 1.00 54.34 H new ATOM 1867 N GLU A 120 0.939 4.253 -12.572 1.00 10.24 N ATOM 1868 CA GLU A 120 2.360 3.913 -12.312 1.00 12.40 C ATOM 1869 C GLU A 120 2.491 2.614 -11.466 1.00 62.32 C ATOM 1870 O GLU A 120 3.367 1.780 -11.729 1.00 71.12 O ATOM 1871 CB GLU A 120 3.091 5.101 -11.619 1.00 21.33 C ATOM 1872 CG GLU A 120 2.497 5.528 -10.260 1.00 3.43 C ATOM 1873 CD GLU A 120 3.285 6.652 -9.578 1.00 12.11 C ATOM 1874 OE1 GLU A 120 4.427 6.395 -9.142 1.00 0.02 O ATOM 1875 OE2 GLU A 120 2.783 7.798 -9.486 1.00 73.30 O ATOM 0 H GLU A 120 0.602 5.049 -12.030 1.00 10.24 H new ATOM 0 HA GLU A 120 2.838 3.728 -13.274 1.00 12.40 H new ATOM 0 HB2 GLU A 120 4.136 4.829 -11.472 1.00 21.33 H new ATOM 0 HB3 GLU A 120 3.076 5.959 -12.291 1.00 21.33 H new ATOM 0 HG2 GLU A 120 1.468 5.854 -10.408 1.00 3.43 H new ATOM 0 HG3 GLU A 120 2.465 4.663 -9.598 1.00 3.43 H new ATOM 1882 N TYR A 121 1.604 2.449 -10.465 1.00 31.23 N ATOM 1883 CA TYR A 121 1.552 1.235 -9.614 1.00 12.21 C ATOM 1884 C TYR A 121 1.013 0.049 -10.447 1.00 12.32 C ATOM 1885 O TYR A 121 1.636 -1.017 -10.550 1.00 24.50 O ATOM 1886 CB TYR A 121 0.630 1.521 -8.397 1.00 34.04 C ATOM 1887 CG TYR A 121 0.515 0.391 -7.356 1.00 1.33 C ATOM 1888 CD1 TYR A 121 -0.279 -0.734 -7.591 1.00 51.25 C ATOM 1889 CD2 TYR A 121 1.187 0.454 -6.138 1.00 43.42 C ATOM 1890 CE1 TYR A 121 -0.393 -1.735 -6.660 1.00 42.23 C ATOM 1891 CE2 TYR A 121 1.067 -0.555 -5.199 1.00 41.20 C ATOM 1892 CZ TYR A 121 0.278 -1.647 -5.472 1.00 21.42 C ATOM 1893 OH TYR A 121 0.146 -2.655 -4.548 1.00 54.22 O ATOM 0 H TYR A 121 0.904 3.149 -10.221 1.00 31.23 H new ATOM 0 HA TYR A 121 2.547 0.977 -9.253 1.00 12.21 H new ATOM 0 HB2 TYR A 121 0.994 2.416 -7.893 1.00 34.04 H new ATOM 0 HB3 TYR A 121 -0.369 1.748 -8.769 1.00 34.04 H new ATOM 0 HD1 TYR A 121 -0.814 -0.817 -8.525 1.00 51.25 H new ATOM 0 HD2 TYR A 121 1.814 1.307 -5.922 1.00 43.42 H new ATOM 0 HE1 TYR A 121 -1.014 -2.594 -6.866 1.00 42.23 H new ATOM 0 HE2 TYR A 121 1.590 -0.485 -4.257 1.00 41.20 H new ATOM 0 HH TYR A 121 0.597 -3.461 -4.876 1.00 54.22 H new ATOM 1903 N THR A 122 -0.165 0.284 -11.041 1.00 51.24 N ATOM 1904 CA THR A 122 -0.803 -0.618 -12.022 1.00 62.52 C ATOM 1905 C THR A 122 0.096 -0.736 -13.291 1.00 73.03 C ATOM 1906 O THR A 122 0.948 0.123 -13.513 1.00 22.14 O ATOM 1907 CB THR A 122 -2.233 -0.059 -12.369 1.00 61.03 C ATOM 1908 OG1 THR A 122 -2.957 0.191 -11.144 1.00 65.11 O ATOM 1909 CG2 THR A 122 -3.069 -1.004 -13.252 1.00 24.02 C ATOM 0 H THR A 122 -0.716 1.122 -10.852 1.00 51.24 H new ATOM 0 HA THR A 122 -0.915 -1.619 -11.606 1.00 62.52 H new ATOM 0 HB THR A 122 -2.077 0.857 -12.939 1.00 61.03 H new ATOM 0 HG1 THR A 122 -2.717 1.075 -10.797 1.00 65.11 H new ATOM 0 HG21 THR A 122 -4.041 -0.552 -13.450 1.00 24.02 H new ATOM 0 HG22 THR A 122 -2.550 -1.175 -14.195 1.00 24.02 H new ATOM 0 HG23 THR A 122 -3.208 -1.955 -12.737 1.00 24.02 H new ATOM 1917 N GLU A 123 -0.110 -1.794 -14.110 1.00 34.11 N ATOM 1918 CA GLU A 123 0.819 -2.211 -15.215 1.00 4.30 C ATOM 1919 C GLU A 123 2.178 -2.758 -14.675 1.00 31.14 C ATOM 1920 O GLU A 123 2.493 -3.940 -14.857 1.00 50.42 O ATOM 1921 CB GLU A 123 1.085 -1.071 -16.255 1.00 24.13 C ATOM 1922 CG GLU A 123 -0.146 -0.617 -17.059 1.00 10.42 C ATOM 1923 CD GLU A 123 0.138 0.614 -17.941 1.00 53.33 C ATOM 1924 OE1 GLU A 123 0.722 0.453 -19.034 1.00 71.12 O ATOM 1925 OE2 GLU A 123 -0.197 1.751 -17.533 1.00 52.33 O ATOM 0 H GLU A 123 -0.930 -2.395 -14.031 1.00 34.11 H new ATOM 0 HA GLU A 123 0.299 -3.019 -15.729 1.00 4.30 H new ATOM 0 HB2 GLU A 123 1.493 -0.208 -15.728 1.00 24.13 H new ATOM 0 HB3 GLU A 123 1.850 -1.410 -16.953 1.00 24.13 H new ATOM 0 HG2 GLU A 123 -0.486 -1.439 -17.689 1.00 10.42 H new ATOM 0 HG3 GLU A 123 -0.959 -0.385 -16.371 1.00 10.42 H new ATOM 1932 N SER A 124 2.974 -1.879 -14.016 1.00 64.11 N ATOM 1933 CA SER A 124 4.351 -2.206 -13.543 1.00 60.54 C ATOM 1934 C SER A 124 4.370 -3.283 -12.434 1.00 12.52 C ATOM 1935 O SER A 124 5.308 -4.084 -12.362 1.00 44.05 O ATOM 1936 CB SER A 124 5.054 -0.924 -13.023 1.00 52.22 C ATOM 1937 OG SER A 124 6.388 -1.176 -12.585 1.00 52.22 O ATOM 0 H SER A 124 2.685 -0.926 -13.796 1.00 64.11 H new ATOM 0 HA SER A 124 4.885 -2.613 -14.402 1.00 60.54 H new ATOM 0 HB2 SER A 124 5.070 -0.175 -13.815 1.00 52.22 H new ATOM 0 HB3 SER A 124 4.477 -0.505 -12.199 1.00 52.22 H new ATOM 0 HG SER A 124 7.021 -0.766 -13.211 1.00 52.22 H new ATOM 1943 N PHE A 125 3.358 -3.277 -11.553 1.00 74.11 N ATOM 1944 CA PHE A 125 3.209 -4.312 -10.497 1.00 43.50 C ATOM 1945 C PHE A 125 1.968 -5.196 -10.750 1.00 62.23 C ATOM 1946 O PHE A 125 1.844 -6.261 -10.156 1.00 74.40 O ATOM 1947 CB PHE A 125 3.118 -3.647 -9.092 1.00 52.33 C ATOM 1948 CG PHE A 125 4.307 -2.740 -8.738 1.00 34.14 C ATOM 1949 CD1 PHE A 125 5.619 -3.225 -8.781 1.00 73.10 C ATOM 1950 CD2 PHE A 125 4.116 -1.407 -8.357 1.00 23.41 C ATOM 1951 CE1 PHE A 125 6.689 -2.408 -8.459 1.00 42.13 C ATOM 1952 CE2 PHE A 125 5.190 -0.593 -8.034 1.00 50.43 C ATOM 1953 CZ PHE A 125 6.477 -1.095 -8.086 1.00 35.22 C ATOM 0 H PHE A 125 2.625 -2.568 -11.544 1.00 74.11 H new ATOM 0 HA PHE A 125 4.092 -4.951 -10.529 1.00 43.50 H new ATOM 0 HB2 PHE A 125 2.201 -3.060 -9.041 1.00 52.33 H new ATOM 0 HB3 PHE A 125 3.037 -4.430 -8.338 1.00 52.33 H new ATOM 0 HD1 PHE A 125 5.799 -4.250 -9.069 1.00 73.10 H new ATOM 0 HD2 PHE A 125 3.114 -1.006 -8.314 1.00 23.41 H new ATOM 0 HE1 PHE A 125 7.695 -2.799 -8.500 1.00 42.13 H new ATOM 0 HE2 PHE A 125 5.022 0.433 -7.742 1.00 50.43 H new ATOM 0 HZ PHE A 125 7.315 -0.462 -7.835 1.00 35.22 H new ATOM 1963 N GLY A 126 1.060 -4.754 -11.646 1.00 3.53 N ATOM 1964 CA GLY A 126 -0.172 -5.512 -11.975 1.00 70.25 C ATOM 1965 C GLY A 126 -1.027 -5.951 -10.759 1.00 43.34 C ATOM 1966 O GLY A 126 -0.815 -5.480 -9.644 1.00 1.45 O ATOM 0 H GLY A 126 1.155 -3.876 -12.156 1.00 3.53 H new ATOM 0 HA2 GLY A 126 -0.791 -4.899 -12.631 1.00 70.25 H new ATOM 0 HA3 GLY A 126 0.109 -6.401 -12.540 1.00 70.25 H new ATOM 1970 N ASP A 127 -1.984 -6.872 -10.973 1.00 23.33 N ATOM 1971 CA ASP A 127 -2.821 -7.443 -9.878 1.00 41.15 C ATOM 1972 C ASP A 127 -2.141 -8.638 -9.160 1.00 13.10 C ATOM 1973 O ASP A 127 -2.577 -9.032 -8.073 1.00 22.33 O ATOM 1974 CB ASP A 127 -4.201 -7.890 -10.437 1.00 22.25 C ATOM 1975 CG ASP A 127 -5.129 -6.706 -10.737 1.00 62.42 C ATOM 1976 OD1 ASP A 127 -5.005 -6.094 -11.818 1.00 31.33 O ATOM 1977 OD2 ASP A 127 -5.962 -6.354 -9.870 1.00 0.32 O ATOM 0 H ASP A 127 -2.205 -7.245 -11.896 1.00 23.33 H new ATOM 0 HA ASP A 127 -2.952 -6.652 -9.139 1.00 41.15 H new ATOM 0 HB2 ASP A 127 -4.049 -8.468 -11.349 1.00 22.25 H new ATOM 0 HB3 ASP A 127 -4.683 -8.551 -9.717 1.00 22.25 H new ATOM 1982 N ASN A 128 -1.099 -9.220 -9.781 1.00 64.12 N ATOM 1983 CA ASN A 128 -0.455 -10.475 -9.300 1.00 74.02 C ATOM 1984 C ASN A 128 0.948 -10.249 -8.681 1.00 13.22 C ATOM 1985 O ASN A 128 1.361 -11.008 -7.803 1.00 52.42 O ATOM 1986 CB ASN A 128 -0.370 -11.487 -10.468 1.00 41.54 C ATOM 1987 CG ASN A 128 -1.749 -11.846 -11.022 1.00 4.25 C ATOM 1988 OD1 ASN A 128 -2.266 -11.183 -11.911 1.00 63.31 O ATOM 1989 ND2 ASN A 128 -2.374 -12.883 -10.489 1.00 23.41 N ATOM 0 H ASN A 128 -0.674 -8.842 -10.628 1.00 64.12 H new ATOM 0 HA ASN A 128 -1.079 -10.870 -8.498 1.00 74.02 H new ATOM 0 HB2 ASN A 128 0.242 -11.068 -11.266 1.00 41.54 H new ATOM 0 HB3 ASN A 128 0.129 -12.393 -10.126 1.00 41.54 H new ATOM 0 HD21 ASN A 128 -3.304 -13.142 -10.818 1.00 23.41 H new ATOM 0 HD22 ASN A 128 -1.926 -13.423 -9.749 1.00 23.41 H new ATOM 1996 N VAL A 129 1.665 -9.195 -9.102 1.00 43.23 N ATOM 1997 CA VAL A 129 3.069 -8.973 -8.671 1.00 53.22 C ATOM 1998 C VAL A 129 3.122 -7.979 -7.481 1.00 41.42 C ATOM 1999 O VAL A 129 2.376 -6.992 -7.435 1.00 0.30 O ATOM 2000 CB VAL A 129 3.967 -8.469 -9.870 1.00 23.32 C ATOM 2001 CG1 VAL A 129 5.419 -8.147 -9.428 1.00 60.24 C ATOM 2002 CG2 VAL A 129 3.953 -9.497 -11.029 1.00 15.22 C ATOM 0 H VAL A 129 1.305 -8.483 -9.737 1.00 43.23 H new ATOM 0 HA VAL A 129 3.474 -9.929 -8.339 1.00 53.22 H new ATOM 0 HB VAL A 129 3.534 -7.534 -10.226 1.00 23.32 H new ATOM 0 HG11 VAL A 129 5.994 -7.805 -10.289 1.00 60.24 H new ATOM 0 HG12 VAL A 129 5.403 -7.365 -8.668 1.00 60.24 H new ATOM 0 HG13 VAL A 129 5.881 -9.044 -9.016 1.00 60.24 H new ATOM 0 HG21 VAL A 129 4.577 -9.133 -11.846 1.00 15.22 H new ATOM 0 HG22 VAL A 129 4.341 -10.451 -10.673 1.00 15.22 H new ATOM 0 HG23 VAL A 129 2.931 -9.631 -11.384 1.00 15.22 H new ATOM 2012 N VAL A 130 3.999 -8.286 -6.509 1.00 53.31 N ATOM 2013 CA VAL A 130 4.150 -7.514 -5.262 1.00 15.24 C ATOM 2014 C VAL A 130 4.979 -6.217 -5.511 1.00 73.41 C ATOM 2015 O VAL A 130 6.057 -6.282 -6.125 1.00 70.14 O ATOM 2016 CB VAL A 130 4.854 -8.401 -4.152 1.00 41.14 C ATOM 2017 CG1 VAL A 130 5.023 -7.633 -2.809 1.00 43.43 C ATOM 2018 CG2 VAL A 130 4.084 -9.734 -3.943 1.00 32.33 C ATOM 0 H VAL A 130 4.630 -9.085 -6.567 1.00 53.31 H new ATOM 0 HA VAL A 130 3.157 -7.228 -4.915 1.00 15.24 H new ATOM 0 HB VAL A 130 5.856 -8.636 -4.511 1.00 41.14 H new ATOM 0 HG11 VAL A 130 5.510 -8.280 -2.079 1.00 43.43 H new ATOM 0 HG12 VAL A 130 5.634 -6.745 -2.972 1.00 43.43 H new ATOM 0 HG13 VAL A 130 4.044 -7.335 -2.434 1.00 43.43 H new ATOM 0 HG21 VAL A 130 4.584 -10.327 -3.177 1.00 32.33 H new ATOM 0 HG22 VAL A 130 3.063 -9.519 -3.626 1.00 32.33 H new ATOM 0 HG23 VAL A 130 4.063 -10.293 -4.879 1.00 32.33 H new ATOM 2028 N PRO A 131 4.485 -5.015 -5.051 1.00 32.11 N ATOM 2029 CA PRO A 131 5.256 -3.750 -5.122 1.00 24.30 C ATOM 2030 C PRO A 131 6.526 -3.777 -4.242 1.00 15.20 C ATOM 2031 O PRO A 131 6.540 -4.363 -3.154 1.00 62.01 O ATOM 2032 CB PRO A 131 4.247 -2.673 -4.634 1.00 23.52 C ATOM 2033 CG PRO A 131 3.296 -3.443 -3.776 1.00 54.21 C ATOM 2034 CD PRO A 131 3.142 -4.786 -4.457 1.00 72.43 C ATOM 0 HA PRO A 131 5.631 -3.558 -6.127 1.00 24.30 H new ATOM 0 HB2 PRO A 131 4.745 -1.883 -4.071 1.00 23.52 H new ATOM 0 HB3 PRO A 131 3.736 -2.195 -5.470 1.00 23.52 H new ATOM 0 HG2 PRO A 131 3.684 -3.557 -2.764 1.00 54.21 H new ATOM 0 HG3 PRO A 131 2.337 -2.931 -3.694 1.00 54.21 H new ATOM 0 HD2 PRO A 131 2.875 -5.570 -3.748 1.00 72.43 H new ATOM 0 HD3 PRO A 131 2.362 -4.766 -5.218 1.00 72.43 H new ATOM 2042 N TYR A 132 7.588 -3.151 -4.752 1.00 31.13 N ATOM 2043 CA TYR A 132 8.876 -3.018 -4.055 1.00 22.45 C ATOM 2044 C TYR A 132 9.422 -1.592 -4.239 1.00 14.23 C ATOM 2045 O TYR A 132 9.076 -0.902 -5.215 1.00 30.33 O ATOM 2046 CB TYR A 132 9.896 -4.080 -4.579 1.00 52.25 C ATOM 2047 CG TYR A 132 10.122 -4.066 -6.110 1.00 33.52 C ATOM 2048 CD1 TYR A 132 11.114 -3.266 -6.698 1.00 3.31 C ATOM 2049 CD2 TYR A 132 9.332 -4.846 -6.964 1.00 32.22 C ATOM 2050 CE1 TYR A 132 11.302 -3.246 -8.066 1.00 5.03 C ATOM 2051 CE2 TYR A 132 9.523 -4.828 -8.333 1.00 23.32 C ATOM 2052 CZ TYR A 132 10.505 -4.027 -8.878 1.00 42.43 C ATOM 2053 OH TYR A 132 10.695 -4.003 -10.242 1.00 1.02 O ATOM 0 H TYR A 132 7.581 -2.715 -5.674 1.00 31.13 H new ATOM 0 HA TYR A 132 8.725 -3.198 -2.991 1.00 22.45 H new ATOM 0 HB2 TYR A 132 10.853 -3.918 -4.084 1.00 52.25 H new ATOM 0 HB3 TYR A 132 9.549 -5.071 -4.287 1.00 52.25 H new ATOM 0 HD1 TYR A 132 11.743 -2.654 -6.068 1.00 3.31 H new ATOM 0 HD2 TYR A 132 8.559 -5.473 -6.545 1.00 32.22 H new ATOM 0 HE1 TYR A 132 12.070 -2.622 -8.499 1.00 5.03 H new ATOM 0 HE2 TYR A 132 8.905 -5.439 -8.974 1.00 23.32 H new ATOM 0 HH TYR A 132 10.055 -4.608 -10.672 1.00 1.02 H new ATOM 2063 N PHE A 133 10.259 -1.147 -3.286 1.00 31.32 N ATOM 2064 CA PHE A 133 10.983 0.127 -3.401 1.00 42.53 C ATOM 2065 C PHE A 133 12.004 0.024 -4.547 1.00 34.52 C ATOM 2066 O PHE A 133 12.689 -0.996 -4.684 1.00 41.22 O ATOM 2067 CB PHE A 133 11.689 0.491 -2.065 1.00 61.52 C ATOM 2068 CG PHE A 133 12.470 1.816 -2.105 1.00 3.24 C ATOM 2069 CD1 PHE A 133 11.802 3.042 -2.064 1.00 71.12 C ATOM 2070 CD2 PHE A 133 13.866 1.835 -2.213 1.00 71.12 C ATOM 2071 CE1 PHE A 133 12.501 4.237 -2.119 1.00 11.13 C ATOM 2072 CE2 PHE A 133 14.562 3.029 -2.271 1.00 31.25 C ATOM 2073 CZ PHE A 133 13.880 4.229 -2.227 1.00 32.40 C ATOM 0 H PHE A 133 10.450 -1.656 -2.423 1.00 31.32 H new ATOM 0 HA PHE A 133 10.271 0.923 -3.620 1.00 42.53 H new ATOM 0 HB2 PHE A 133 10.940 0.547 -1.275 1.00 61.52 H new ATOM 0 HB3 PHE A 133 12.374 -0.314 -1.798 1.00 61.52 H new ATOM 0 HD1 PHE A 133 10.725 3.059 -1.988 1.00 71.12 H new ATOM 0 HD2 PHE A 133 14.408 0.902 -2.252 1.00 71.12 H new ATOM 0 HE1 PHE A 133 11.969 5.176 -2.078 1.00 11.13 H new ATOM 0 HE2 PHE A 133 15.639 3.023 -2.351 1.00 31.25 H new ATOM 0 HZ PHE A 133 14.423 5.161 -2.277 1.00 32.40 H new ATOM 2083 N ARG A 134 12.082 1.078 -5.371 1.00 13.43 N ATOM 2084 CA ARG A 134 12.992 1.124 -6.526 1.00 23.33 C ATOM 2085 C ARG A 134 14.469 1.124 -6.055 1.00 24.15 C ATOM 2086 O ARG A 134 14.987 2.142 -5.588 1.00 73.22 O ATOM 2087 CB ARG A 134 12.656 2.355 -7.408 1.00 63.13 C ATOM 2088 CG ARG A 134 11.221 2.338 -7.997 1.00 44.40 C ATOM 2089 CD ARG A 134 10.950 1.078 -8.843 1.00 51.43 C ATOM 2090 NE ARG A 134 9.622 1.096 -9.474 1.00 12.22 N ATOM 2091 CZ ARG A 134 9.155 0.174 -10.289 1.00 72.14 C ATOM 2092 NH1 ARG A 134 9.832 -0.903 -10.562 1.00 42.04 N ATOM 2093 NH2 ARG A 134 7.995 0.337 -10.822 1.00 74.44 N ATOM 0 H ARG A 134 11.518 1.921 -5.257 1.00 13.43 H new ATOM 0 HA ARG A 134 12.854 0.231 -7.136 1.00 23.33 H new ATOM 0 HB2 ARG A 134 12.783 3.260 -6.814 1.00 63.13 H new ATOM 0 HB3 ARG A 134 13.373 2.408 -8.227 1.00 63.13 H new ATOM 0 HG2 ARG A 134 10.497 2.390 -7.184 1.00 44.40 H new ATOM 0 HG3 ARG A 134 11.073 3.225 -8.613 1.00 44.40 H new ATOM 0 HD2 ARG A 134 11.714 0.992 -9.616 1.00 51.43 H new ATOM 0 HD3 ARG A 134 11.036 0.195 -8.210 1.00 51.43 H new ATOM 0 HE ARG A 134 9.013 1.887 -9.263 1.00 12.22 H new ATOM 0 HH11 ARG A 134 10.749 -1.049 -10.141 1.00 42.04 H new ATOM 0 HH12 ARG A 134 9.445 -1.601 -11.197 1.00 42.04 H new ATOM 0 HH21 ARG A 134 7.450 1.173 -10.611 1.00 74.44 H new ATOM 0 HH22 ARG A 134 7.621 -0.370 -11.455 1.00 74.44 H new ATOM 2107 N GLY A 135 15.101 -0.064 -6.137 1.00 15.23 N ATOM 2108 CA GLY A 135 16.474 -0.286 -5.651 1.00 23.25 C ATOM 2109 C GLY A 135 16.584 -1.440 -4.643 1.00 70.54 C ATOM 2110 O GLY A 135 17.695 -1.812 -4.253 1.00 32.33 O ATOM 0 H GLY A 135 14.672 -0.896 -6.543 1.00 15.23 H new ATOM 0 HA2 GLY A 135 17.124 -0.493 -6.501 1.00 23.25 H new ATOM 0 HA3 GLY A 135 16.840 0.629 -5.186 1.00 23.25 H new ATOM 2114 N LEU A 136 15.434 -2.005 -4.209 1.00 50.50 N ATOM 2115 CA LEU A 136 15.382 -3.101 -3.201 1.00 71.42 C ATOM 2116 C LEU A 136 14.592 -4.330 -3.733 1.00 73.54 C ATOM 2117 O LEU A 136 13.435 -4.199 -4.141 1.00 70.32 O ATOM 2118 CB LEU A 136 14.737 -2.588 -1.875 1.00 14.30 C ATOM 2119 CG LEU A 136 15.508 -1.460 -1.113 1.00 32.45 C ATOM 2120 CD1 LEU A 136 14.733 -1.006 0.146 1.00 31.34 C ATOM 2121 CD2 LEU A 136 16.950 -1.903 -0.763 1.00 43.12 C ATOM 0 H LEU A 136 14.514 -1.718 -4.544 1.00 50.50 H new ATOM 0 HA LEU A 136 16.407 -3.417 -3.005 1.00 71.42 H new ATOM 0 HB2 LEU A 136 13.735 -2.223 -2.102 1.00 14.30 H new ATOM 0 HB3 LEU A 136 14.622 -3.437 -1.201 1.00 14.30 H new ATOM 0 HG LEU A 136 15.584 -0.601 -1.779 1.00 32.45 H new ATOM 0 HD11 LEU A 136 15.293 -0.222 0.655 1.00 31.34 H new ATOM 0 HD12 LEU A 136 13.756 -0.622 -0.147 1.00 31.34 H new ATOM 0 HD13 LEU A 136 14.603 -1.854 0.819 1.00 31.34 H new ATOM 0 HD21 LEU A 136 17.460 -1.098 -0.234 1.00 43.12 H new ATOM 0 HD22 LEU A 136 16.915 -2.789 -0.128 1.00 43.12 H new ATOM 0 HD23 LEU A 136 17.492 -2.135 -1.680 1.00 43.12 H new ATOM 2133 N GLU A 137 15.247 -5.513 -3.708 1.00 54.54 N ATOM 2134 CA GLU A 137 14.647 -6.823 -4.072 1.00 15.43 C ATOM 2135 C GLU A 137 15.619 -7.955 -3.636 1.00 43.24 C ATOM 2136 O GLU A 137 16.758 -8.020 -4.121 1.00 3.41 O ATOM 2137 CB GLU A 137 14.329 -6.883 -5.612 1.00 45.23 C ATOM 2138 CG GLU A 137 13.538 -8.130 -6.115 1.00 33.21 C ATOM 2139 CD GLU A 137 14.407 -9.388 -6.333 1.00 71.42 C ATOM 2140 OE1 GLU A 137 15.191 -9.407 -7.304 1.00 24.33 O ATOM 2141 OE2 GLU A 137 14.337 -10.336 -5.529 1.00 11.51 O ATOM 0 H GLU A 137 16.225 -5.588 -3.430 1.00 54.54 H new ATOM 0 HA GLU A 137 13.698 -6.955 -3.552 1.00 15.43 H new ATOM 0 HB2 GLU A 137 13.762 -5.991 -5.878 1.00 45.23 H new ATOM 0 HB3 GLU A 137 15.272 -6.836 -6.156 1.00 45.23 H new ATOM 0 HG2 GLU A 137 12.755 -8.364 -5.394 1.00 33.21 H new ATOM 0 HG3 GLU A 137 13.043 -7.878 -7.053 1.00 33.21 H new ATOM 2148 N HIS A 138 15.162 -8.842 -2.724 1.00 1.45 N ATOM 2149 CA HIS A 138 16.007 -9.933 -2.155 1.00 70.32 C ATOM 2150 C HIS A 138 15.190 -11.255 -1.977 1.00 3.01 C ATOM 2151 O HIS A 138 15.539 -12.117 -1.165 1.00 23.45 O ATOM 2152 CB HIS A 138 16.633 -9.438 -0.807 1.00 2.40 C ATOM 2153 CG HIS A 138 17.781 -10.276 -0.275 1.00 1.15 C ATOM 2154 ND1 HIS A 138 19.071 -10.178 -0.756 1.00 70.10 N ATOM 2155 CD2 HIS A 138 17.828 -11.218 0.702 1.00 53.42 C ATOM 2156 CE1 HIS A 138 19.853 -11.013 -0.103 1.00 11.34 C ATOM 2157 NE2 HIS A 138 19.127 -11.652 0.783 1.00 42.02 N ATOM 0 H HIS A 138 14.209 -8.829 -2.361 1.00 1.45 H new ATOM 0 HA HIS A 138 16.813 -10.169 -2.849 1.00 70.32 H new ATOM 0 HB2 HIS A 138 16.985 -8.415 -0.944 1.00 2.40 H new ATOM 0 HB3 HIS A 138 15.848 -9.407 -0.051 1.00 2.40 H new ATOM 0 HD2 HIS A 138 16.999 -11.561 1.303 1.00 53.42 H new ATOM 0 HE1 HIS A 138 20.912 -11.148 -0.269 1.00 11.34 H new ATOM 0 HE2 HIS A 138 19.474 -12.360 1.430 1.00 42.02 H new ATOM 2166 N HIS A 139 14.116 -11.416 -2.774 1.00 33.22 N ATOM 2167 CA HIS A 139 13.269 -12.640 -2.793 1.00 65.25 C ATOM 2168 C HIS A 139 12.810 -12.936 -4.242 1.00 32.12 C ATOM 2169 O HIS A 139 11.681 -12.604 -4.635 1.00 33.23 O ATOM 2170 CB HIS A 139 12.047 -12.508 -1.831 1.00 64.34 C ATOM 2171 CG HIS A 139 12.419 -12.452 -0.371 1.00 61.43 C ATOM 2172 ND1 HIS A 139 12.908 -13.541 0.318 1.00 54.32 N ATOM 2173 CD2 HIS A 139 12.408 -11.430 0.521 1.00 23.42 C ATOM 2174 CE1 HIS A 139 13.181 -13.197 1.555 1.00 24.53 C ATOM 2175 NE2 HIS A 139 12.888 -11.924 1.706 1.00 54.40 N ATOM 0 H HIS A 139 13.804 -10.700 -3.430 1.00 33.22 H new ATOM 0 HA HIS A 139 13.867 -13.478 -2.434 1.00 65.25 H new ATOM 0 HB2 HIS A 139 11.491 -11.607 -2.088 1.00 64.34 H new ATOM 0 HB3 HIS A 139 11.378 -13.353 -1.993 1.00 64.34 H new ATOM 0 HD2 HIS A 139 12.082 -10.418 0.333 1.00 23.42 H new ATOM 0 HE1 HIS A 139 13.579 -13.849 2.319 1.00 24.53 H new ATOM 0 HE2 HIS A 139 13.000 -11.389 2.567 1.00 54.40 H new ATOM 2184 N HIS A 140 13.721 -13.526 -5.046 1.00 40.24 N ATOM 2185 CA HIS A 140 13.465 -13.806 -6.478 1.00 44.41 C ATOM 2186 C HIS A 140 12.542 -15.037 -6.676 1.00 54.52 C ATOM 2187 O HIS A 140 12.805 -16.124 -6.149 1.00 25.42 O ATOM 2188 CB HIS A 140 14.798 -13.964 -7.271 1.00 61.02 C ATOM 2189 CG HIS A 140 15.705 -15.083 -6.805 1.00 4.34 C ATOM 2190 ND1 HIS A 140 15.470 -16.411 -7.087 1.00 74.24 N ATOM 2191 CD2 HIS A 140 16.853 -15.064 -6.086 1.00 30.44 C ATOM 2192 CE1 HIS A 140 16.419 -17.153 -6.565 1.00 64.43 C ATOM 2193 NE2 HIS A 140 17.272 -16.364 -5.951 1.00 53.43 N ATOM 0 H HIS A 140 14.644 -13.819 -4.727 1.00 40.24 H new ATOM 0 HA HIS A 140 12.936 -12.943 -6.882 1.00 44.41 H new ATOM 0 HB2 HIS A 140 14.558 -14.128 -8.322 1.00 61.02 H new ATOM 0 HB3 HIS A 140 15.349 -13.025 -7.212 1.00 61.02 H new ATOM 0 HD2 HIS A 140 17.347 -14.188 -5.692 1.00 30.44 H new ATOM 0 HE1 HIS A 140 16.487 -18.229 -6.629 1.00 64.43 H new ATOM 0 HE2 HIS A 140 18.110 -16.668 -5.455 1.00 53.43 H new ATOM 2202 N HIS A 141 11.429 -14.829 -7.397 1.00 64.22 N ATOM 2203 CA HIS A 141 10.509 -15.905 -7.831 1.00 75.01 C ATOM 2204 C HIS A 141 10.509 -15.966 -9.372 1.00 12.32 C ATOM 2205 O HIS A 141 10.244 -14.955 -10.025 1.00 75.55 O ATOM 2206 CB HIS A 141 9.075 -15.677 -7.267 1.00 55.35 C ATOM 2207 CG HIS A 141 8.962 -15.882 -5.774 1.00 44.02 C ATOM 2208 ND1 HIS A 141 8.059 -16.752 -5.197 1.00 1.33 N ATOM 2209 CD2 HIS A 141 9.639 -15.321 -4.739 1.00 70.21 C ATOM 2210 CE1 HIS A 141 8.184 -16.717 -3.887 1.00 33.13 C ATOM 2211 NE2 HIS A 141 9.134 -15.859 -3.585 1.00 4.23 N ATOM 0 H HIS A 141 11.135 -13.901 -7.701 1.00 64.22 H new ATOM 0 HA HIS A 141 10.852 -16.861 -7.436 1.00 75.01 H new ATOM 0 HB2 HIS A 141 8.757 -14.663 -7.509 1.00 55.35 H new ATOM 0 HB3 HIS A 141 8.386 -16.355 -7.770 1.00 55.35 H new ATOM 0 HD1 HIS A 141 7.395 -17.334 -5.708 1.00 1.33 H new ATOM 0 HD2 HIS A 141 10.428 -14.587 -4.812 1.00 70.21 H new ATOM 0 HE1 HIS A 141 7.605 -17.294 -3.181 1.00 33.13 H new ATOM 2220 N HIS A 142 10.781 -17.166 -9.930 1.00 42.13 N ATOM 2221 CA HIS A 142 11.072 -17.368 -11.375 1.00 52.40 C ATOM 2222 C HIS A 142 9.932 -16.847 -12.303 1.00 14.41 C ATOM 2223 O HIS A 142 10.191 -16.422 -13.435 1.00 50.35 O ATOM 2224 CB HIS A 142 11.362 -18.873 -11.640 1.00 45.31 C ATOM 2225 CG HIS A 142 12.031 -19.158 -12.969 1.00 11.05 C ATOM 2226 ND1 HIS A 142 13.401 -19.246 -13.114 1.00 24.10 N ATOM 2227 CD2 HIS A 142 11.522 -19.359 -14.213 1.00 4.14 C ATOM 2228 CE1 HIS A 142 13.700 -19.487 -14.372 1.00 62.54 C ATOM 2229 NE2 HIS A 142 12.584 -19.560 -15.060 1.00 73.42 N ATOM 0 H HIS A 142 10.806 -18.031 -9.390 1.00 42.13 H new ATOM 0 HA HIS A 142 11.953 -16.775 -11.620 1.00 52.40 H new ATOM 0 HB2 HIS A 142 11.995 -19.255 -10.839 1.00 45.31 H new ATOM 0 HB3 HIS A 142 10.423 -19.425 -11.594 1.00 45.31 H new ATOM 0 HD2 HIS A 142 10.477 -19.360 -14.485 1.00 4.14 H new ATOM 0 HE1 HIS A 142 14.696 -19.605 -14.772 1.00 62.54 H new ATOM 0 HE2 HIS A 142 12.517 -19.737 -16.062 1.00 73.42 H new ATOM 2238 N HIS A 143 8.684 -16.892 -11.803 1.00 20.54 N ATOM 2239 CA HIS A 143 7.502 -16.349 -12.512 1.00 21.44 C ATOM 2240 C HIS A 143 6.364 -16.071 -11.512 1.00 43.24 C ATOM 2241 O HIS A 143 6.257 -16.713 -10.457 1.00 24.20 O ATOM 2242 CB HIS A 143 7.041 -17.325 -13.627 1.00 0.31 C ATOM 2243 CG HIS A 143 5.955 -16.787 -14.536 1.00 55.33 C ATOM 2244 ND1 HIS A 143 4.608 -16.937 -14.277 1.00 43.12 N ATOM 2245 CD2 HIS A 143 6.024 -16.126 -15.720 1.00 51.33 C ATOM 2246 CE1 HIS A 143 3.905 -16.405 -15.255 1.00 25.12 C ATOM 2247 NE2 HIS A 143 4.736 -15.906 -16.139 1.00 52.30 N ATOM 0 H HIS A 143 8.462 -17.305 -10.897 1.00 20.54 H new ATOM 0 HA HIS A 143 7.777 -15.407 -12.985 1.00 21.44 H new ATOM 0 HB2 HIS A 143 7.905 -17.592 -14.236 1.00 0.31 H new ATOM 0 HB3 HIS A 143 6.683 -18.243 -13.161 1.00 0.31 H new ATOM 0 HD2 HIS A 143 6.925 -15.829 -16.236 1.00 51.33 H new ATOM 0 HE1 HIS A 143 2.827 -16.383 -15.319 1.00 25.12 H new ATOM 0 HE2 HIS A 143 4.468 -15.430 -17.000 1.00 52.30 H new TER 2256 HIS A 143