USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1112 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 130 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 134 LYS NZ :NH3+ 127:sc= -0.179 (180deg=-0.327) USER MOD Set 2.1: A 29 SER OG : rot -130:sc= 0.319 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.339 K(o=0.66,f=-0.049) USER MOD Single : A 3 THR OG1 : rot -28:sc= 0.39 USER MOD Single : A 10 MET CE :methyl -176:sc= 0 (180deg=-0.00524) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0558 (180deg=-0.263) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.2!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= 0.0971 F(o=-0.5,f=0.097) USER MOD Single : A 46 THR OG1 : rot -64:sc= 1.25 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.868 K(o=-0.87,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00152 USER MOD Single : A 75 LYS NZ :NH3+ 169:sc=-0.00754 (180deg=-0.116) USER MOD Single : A 76 MET CE :methyl -124:sc= 0 (180deg=-1.07) USER MOD Single : A 78 HIS : no HD1:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.54 K(o=-0.54,f=-2.7!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.423 F(o=-4.5!,f=-0.42) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.24 USER MOD Single : A 104 SER OG : rot 146:sc= 0.0468 USER MOD Single : A 107 THR OG1 : rot -6:sc= 0.0519 USER MOD Single : A 108 SER OG : rot 65:sc= 1.3 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.868 F(o=-2.3!,f=-0.87) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.8!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 128 GLN :FLIP amide:sc= 0.956 F(o=-0.94,f=0.96) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.0094 F(o=-1.3!,f=-0.0094) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot -78:sc= -0.223 USER MOD Single : A 139 LYS NZ :NH3+ -165:sc= -0.093 (180deg=-0.416) USER MOD Single : A 142 SER OG : rot 75:sc= 0.0912 USER MOD Single : A 147 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.15) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.546 2.465 6.536 0.06 0.00 N ATOM 32 CA THR A 3 -24.066 3.774 6.111 1.00 0.00 C ATOM 33 C THR A 3 -23.791 3.802 4.608 1.00 0.00 C ATOM 34 O THR A 3 -23.545 2.762 3.998 0.80 0.00 O ATOM 35 CB THR A 3 -22.783 4.180 6.862 0.17 0.00 C ATOM 36 OG1 THR A 3 -21.969 3.026 7.108 0.43 0.00 O ATOM 37 CG2 THR A 3 -23.120 4.865 8.177 1.00 0.00 C ATOM 0 HA THR A 3 -24.856 4.487 6.348 1.00 0.00 H new ATOM 0 HB THR A 3 -22.230 4.882 6.238 0.17 0.00 H new ATOM 0 HG1 THR A 3 -22.538 2.230 7.164 0.43 0.00 H new ATOM 0 HG21 THR A 3 -22.199 5.142 8.689 1.00 0.00 H new ATOM 0 HG22 THR A 3 -23.710 5.760 7.980 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.694 4.184 8.806 1.00 0.00 H new ATOM 45 N PRO A 4 -23.833 4.999 3.992 0.52 0.00 N ATOM 46 CA PRO A 4 -23.589 5.156 2.554 0.08 0.00 C ATOM 47 C PRO A 4 -22.164 4.780 2.163 0.09 0.00 C ATOM 48 O PRO A 4 -21.927 4.256 1.075 0.26 0.00 O ATOM 49 CB PRO A 4 -23.832 6.649 2.306 0.22 0.00 C ATOM 50 CG PRO A 4 -23.639 7.292 3.636 0.08 0.00 C ATOM 51 CD PRO A 4 -24.118 6.291 4.644 1.00 0.00 C ATOM 0 HA PRO A 4 -24.231 4.503 1.962 0.08 0.00 H new ATOM 0 HB2 PRO A 4 -23.134 7.046 1.569 0.22 0.00 H new ATOM 0 HB3 PRO A 4 -24.836 6.828 1.922 0.22 0.00 H new ATOM 0 HG2 PRO A 4 -22.591 7.543 3.801 0.08 0.00 H new ATOM 0 HG3 PRO A 4 -24.205 8.221 3.708 0.08 0.00 H new ATOM 0 HD2 PRO A 4 -23.590 6.389 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -25.180 6.410 4.857 1.00 0.00 H new ATOM 59 N ALA A 5 -21.218 5.051 3.058 0.08 0.00 N ATOM 60 CA ALA A 5 -19.816 4.744 2.803 0.10 0.00 C ATOM 61 C ALA A 5 -19.588 3.239 2.712 0.41 0.00 C ATOM 62 O ALA A 5 -18.766 2.774 1.921 0.07 0.00 O ATOM 63 CB ALA A 5 -18.936 5.346 3.888 1.00 0.00 C ATOM 0 H ALA A 5 -21.398 5.482 3.965 0.08 0.00 H new ATOM 0 HA ALA A 5 -19.545 5.185 1.844 0.10 0.00 H new ATOM 0 HB1 ALA A 5 -17.892 5.108 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.065 6.428 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.219 4.934 4.856 1.00 0.00 H new ATOM 69 N ARG A 6 -20.320 2.482 3.524 0.33 0.00 N ATOM 70 CA ARG A 6 -20.190 1.030 3.531 0.47 0.00 C ATOM 71 C ARG A 6 -20.837 0.419 2.292 1.00 0.00 C ATOM 72 O ARG A 6 -20.368 -0.594 1.772 0.05 0.00 O ATOM 73 CB ARG A 6 -20.821 0.440 4.794 0.93 0.00 C ATOM 74 CG ARG A 6 -20.620 -1.059 4.925 0.09 0.00 C ATOM 75 CD ARG A 6 -21.254 -1.603 6.193 1.00 0.00 C ATOM 76 NE ARG A 6 -22.707 -1.459 6.183 0.40 0.00 N ATOM 77 CZ ARG A 6 -23.532 -2.250 6.863 0.12 0.00 C ATOM 78 NH1 ARG A 6 -23.049 -3.241 7.600 0.14 0.00 N ATOM 79 NH2 ARG A 6 -24.841 -2.053 6.802 0.13 0.00 N ATOM 0 H ARG A 6 -21.007 2.849 4.183 0.33 0.00 H new ATOM 0 HA ARG A 6 -19.127 0.789 3.521 0.47 0.00 H new ATOM 0 HB2 ARG A 6 -20.396 0.934 5.668 0.93 0.00 H new ATOM 0 HB3 ARG A 6 -21.889 0.657 4.793 0.93 0.00 H new ATOM 0 HG2 ARG A 6 -21.051 -1.561 4.059 0.09 0.00 H new ATOM 0 HG3 ARG A 6 -19.554 -1.284 4.926 0.09 0.00 H new ATOM 0 HD2 ARG A 6 -20.995 -2.656 6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.844 -1.080 7.057 1.00 0.00 H new ATOM 0 HE ARG A 6 -23.112 -0.709 5.623 0.40 0.00 H new ATOM 0 HH11 ARG A 6 -22.042 -3.398 7.646 0.14 0.00 H new ATOM 0 HH12 ARG A 6 -23.684 -3.846 8.120 0.14 0.00 H new ATOM 0 HH21 ARG A 6 -25.217 -1.294 6.233 0.13 0.00 H new ATOM 0 HH22 ARG A 6 -25.473 -2.660 7.324 0.13 0.00 H new ATOM 93 N ARG A 7 -21.916 1.039 1.827 1.00 0.00 N ATOM 94 CA ARG A 7 -22.627 0.558 0.648 1.00 0.00 C ATOM 95 C ARG A 7 -21.696 0.493 -0.559 0.07 0.00 C ATOM 96 O ARG A 7 -21.753 -0.449 -1.349 0.19 0.00 O ATOM 97 CB ARG A 7 -23.818 1.466 0.337 0.37 0.00 C ATOM 98 CG ARG A 7 -24.615 1.027 -0.881 0.16 0.00 C ATOM 99 CD ARG A 7 -25.757 1.984 -1.177 1.00 0.00 C ATOM 100 NE ARG A 7 -26.727 2.031 -0.087 1.00 0.00 N ATOM 101 CZ ARG A 7 -27.789 2.830 -0.076 0.20 0.00 C ATOM 102 NH1 ARG A 7 -28.012 3.658 -1.090 0.46 0.00 N ATOM 103 NH2 ARG A 7 -28.630 2.804 0.948 1.00 0.00 N ATOM 0 H ARG A 7 -22.318 1.876 2.249 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.991 -0.447 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -24.479 1.494 1.203 0.37 0.00 H new ATOM 0 HB3 ARG A 7 -23.458 2.482 0.178 0.37 0.00 H new ATOM 0 HG2 ARG A 7 -23.955 0.968 -1.747 0.16 0.00 H new ATOM 0 HG3 ARG A 7 -25.012 0.026 -0.715 0.16 0.00 H new ATOM 0 HD2 ARG A 7 -25.357 2.983 -1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -26.258 1.678 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 7 -26.581 1.415 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -27.367 3.682 -1.880 0.46 0.00 H new ATOM 0 HH12 ARG A 7 -28.828 4.270 -1.079 0.46 0.00 H new ATOM 0 HH21 ARG A 7 -28.463 2.170 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -29.445 3.418 0.955 1.00 0.00 H new ATOM 117 N ARG A 8 -20.841 1.502 -0.693 0.38 0.00 N ATOM 118 CA ARG A 8 -19.898 1.564 -1.801 0.07 0.00 C ATOM 119 C ARG A 8 -18.886 0.426 -1.719 1.00 0.00 C ATOM 120 O ARG A 8 -18.476 -0.129 -2.738 0.06 0.00 O ATOM 121 CB ARG A 8 -19.174 2.912 -1.806 0.24 0.00 C ATOM 122 CG ARG A 8 -20.114 4.107 -1.872 0.34 0.00 C ATOM 123 CD ARG A 8 -20.923 4.116 -3.160 0.10 0.00 C ATOM 124 NE ARG A 8 -21.876 5.221 -3.204 1.00 0.00 N ATOM 125 CZ ARG A 8 -22.543 5.580 -4.298 0.12 0.00 C ATOM 126 NH1 ARG A 8 -22.357 4.926 -5.437 0.32 0.00 N ATOM 127 NH2 ARG A 8 -23.397 6.593 -4.253 0.29 0.00 N ATOM 0 H ARG A 8 -20.783 2.288 -0.046 0.38 0.00 H new ATOM 0 HA ARG A 8 -20.458 1.458 -2.730 0.07 0.00 H new ATOM 0 HB2 ARG A 8 -18.563 2.990 -0.907 0.24 0.00 H new ATOM 0 HB3 ARG A 8 -18.494 2.947 -2.658 0.24 0.00 H new ATOM 0 HG2 ARG A 8 -20.790 4.086 -1.018 0.34 0.00 H new ATOM 0 HG3 ARG A 8 -19.537 5.029 -1.798 0.34 0.00 H new ATOM 0 HD2 ARG A 8 -20.246 4.188 -4.012 0.10 0.00 H new ATOM 0 HD3 ARG A 8 -21.459 3.172 -3.257 0.10 0.00 H new ATOM 0 HE ARG A 8 -22.040 5.748 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.701 4.146 -5.476 0.32 0.00 H new ATOM 0 HH12 ARG A 8 -22.870 5.203 -6.274 0.32 0.00 H new ATOM 0 HH21 ARG A 8 -23.543 7.098 -3.379 0.29 0.00 H new ATOM 0 HH22 ARG A 8 -23.908 6.867 -5.092 0.29 0.00 H new ATOM 141 N LEU A 9 -18.484 0.084 -0.501 0.80 0.00 N ATOM 142 CA LEU A 9 -17.522 -0.992 -0.288 0.14 0.00 C ATOM 143 C LEU A 9 -18.078 -2.326 -0.773 0.08 0.00 C ATOM 144 O LEU A 9 -17.326 -3.215 -1.170 1.00 0.00 O ATOM 145 CB LEU A 9 -17.152 -1.090 1.194 0.46 0.00 C ATOM 146 CG LEU A 9 -16.302 0.064 1.729 0.31 0.00 C ATOM 147 CD1 LEU A 9 -16.208 -0.003 3.246 0.26 0.00 C ATOM 148 CD2 LEU A 9 -14.913 0.033 1.109 1.00 0.00 C ATOM 0 H LEU A 9 -18.809 0.535 0.354 0.80 0.00 H new ATOM 0 HA LEU A 9 -16.626 -0.761 -0.865 0.14 0.00 H new ATOM 0 HB2 LEU A 9 -18.070 -1.146 1.779 0.46 0.00 H new ATOM 0 HB3 LEU A 9 -16.613 -2.023 1.357 0.46 0.00 H new ATOM 0 HG LEU A 9 -16.783 1.003 1.454 0.31 0.00 H new ATOM 0 HD11 LEU A 9 -15.600 0.825 3.610 0.26 0.00 H new ATOM 0 HD12 LEU A 9 -17.207 0.065 3.676 0.26 0.00 H new ATOM 0 HD13 LEU A 9 -15.749 -0.947 3.541 0.26 0.00 H new ATOM 0 HD21 LEU A 9 -14.321 0.861 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.425 -0.910 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.996 0.126 0.026 1.00 0.00 H new ATOM 160 N MET A 10 -19.401 -2.462 -0.734 0.18 0.00 N ATOM 161 CA MET A 10 -20.057 -3.691 -1.162 1.00 0.00 C ATOM 162 C MET A 10 -20.043 -3.834 -2.682 1.00 0.00 C ATOM 163 O MET A 10 -19.753 -4.909 -3.206 0.06 0.00 O ATOM 164 CB MET A 10 -21.498 -3.732 -0.649 0.15 0.00 C ATOM 165 CG MET A 10 -21.606 -3.820 0.866 0.39 0.00 C ATOM 166 SD MET A 10 -23.313 -3.951 1.435 0.14 0.00 S ATOM 167 CE MET A 10 -23.072 -4.138 3.199 1.00 0.00 C ATOM 0 H MET A 10 -20.039 -1.735 -0.410 0.18 0.00 H new ATOM 0 HA MET A 10 -19.499 -4.526 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 10 -22.021 -2.839 -0.990 0.15 0.00 H new ATOM 0 HB3 MET A 10 -22.007 -4.588 -1.091 0.15 0.00 H new ATOM 0 HG2 MET A 10 -21.043 -4.685 1.217 0.39 0.00 H new ATOM 0 HG3 MET A 10 -21.146 -2.938 1.311 0.39 0.00 H new ATOM 0 HE1 MET A 10 -24.035 -4.302 3.682 1.00 0.00 H new ATOM 0 HE2 MET A 10 -22.420 -4.991 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 10 -22.614 -3.235 3.601 1.00 0.00 H new ATOM 177 N ARG A 11 -20.359 -2.749 -3.386 1.00 0.00 N ATOM 178 CA ARG A 11 -20.385 -2.774 -4.847 1.00 0.00 C ATOM 179 C ARG A 11 -18.980 -2.942 -5.424 0.20 0.00 C ATOM 180 O ARG A 11 -18.808 -3.530 -6.491 1.00 0.00 O ATOM 181 CB ARG A 11 -21.035 -1.502 -5.400 0.27 0.00 C ATOM 182 CG ARG A 11 -20.194 -0.248 -5.220 0.05 0.00 C ATOM 183 CD ARG A 11 -20.804 0.940 -5.946 0.08 0.00 C ATOM 184 NE ARG A 11 -19.932 2.110 -5.910 0.12 0.00 N ATOM 185 CZ ARG A 11 -20.023 3.125 -6.766 0.54 0.00 C ATOM 186 NH1 ARG A 11 -20.948 3.114 -7.717 0.84 0.00 N ATOM 187 NH2 ARG A 11 -19.191 4.153 -6.670 0.50 0.00 N ATOM 0 H ARG A 11 -20.599 -1.848 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.983 -3.633 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -21.237 -1.642 -6.462 0.27 0.00 H new ATOM 0 HB3 ARG A 11 -21.997 -1.355 -4.909 0.27 0.00 H new ATOM 0 HG2 ARG A 11 -20.103 -0.019 -4.158 0.05 0.00 H new ATOM 0 HG3 ARG A 11 -19.187 -0.427 -5.595 0.05 0.00 H new ATOM 0 HD2 ARG A 11 -21.003 0.668 -6.983 0.08 0.00 H new ATOM 0 HD3 ARG A 11 -21.763 1.189 -5.492 0.08 0.00 H new ATOM 0 HE ARG A 11 -19.212 2.152 -5.188 0.12 0.00 H new ATOM 0 HH11 ARG A 11 -21.592 2.326 -7.793 0.84 0.00 H new ATOM 0 HH12 ARG A 11 -21.016 3.893 -8.372 0.84 0.00 H new ATOM 0 HH21 ARG A 11 -18.480 4.167 -5.939 0.50 0.00 H new ATOM 0 HH22 ARG A 11 -19.262 4.930 -7.327 0.50 0.00 H new ATOM 201 N ASP A 12 -17.981 -2.422 -4.715 0.23 0.00 N ATOM 202 CA ASP A 12 -16.595 -2.522 -5.166 0.12 0.00 C ATOM 203 C ASP A 12 -16.067 -3.941 -4.997 0.22 0.00 C ATOM 204 O ASP A 12 -15.287 -4.426 -5.818 0.12 0.00 O ATOM 205 CB ASP A 12 -15.709 -1.540 -4.396 0.94 0.00 C ATOM 206 CG ASP A 12 -16.007 -0.092 -4.744 0.17 0.00 C ATOM 207 OD1 ASP A 12 -15.978 0.247 -5.946 0.18 0.00 O ATOM 208 OD2 ASP A 12 -16.268 0.701 -3.816 0.19 0.00 O ATOM 0 H ASP A 12 -18.104 -1.929 -3.830 0.23 0.00 H new ATOM 0 HA ASP A 12 -16.568 -2.268 -6.226 0.12 0.00 H new ATOM 0 HB2 ASP A 12 -15.851 -1.690 -3.326 0.94 0.00 H new ATOM 0 HB3 ASP A 12 -14.662 -1.754 -4.612 0.94 0.00 H new ATOM 213 N PHE A 13 -16.492 -4.606 -3.927 0.55 0.00 N ATOM 214 CA PHE A 13 -16.062 -5.971 -3.652 0.84 0.00 C ATOM 215 C PHE A 13 -16.592 -6.930 -4.712 1.00 0.00 C ATOM 216 O PHE A 13 -15.891 -7.849 -5.137 1.00 0.00 O ATOM 217 CB PHE A 13 -16.532 -6.410 -2.263 1.00 0.00 C ATOM 218 CG PHE A 13 -16.197 -7.840 -1.930 0.64 0.00 C ATOM 219 CD1 PHE A 13 -14.921 -8.337 -2.149 1.00 0.00 C ATOM 220 CD2 PHE A 13 -17.159 -8.683 -1.397 0.15 0.00 C ATOM 221 CE1 PHE A 13 -14.612 -9.648 -1.841 0.24 0.00 C ATOM 222 CE2 PHE A 13 -16.855 -9.995 -1.087 0.91 0.00 C ATOM 223 CZ PHE A 13 -15.581 -10.478 -1.309 0.28 0.00 C ATOM 0 H PHE A 13 -17.135 -4.220 -3.236 0.55 0.00 H new ATOM 0 HA PHE A 13 -14.973 -5.995 -3.679 0.84 0.00 H new ATOM 0 HB2 PHE A 13 -16.082 -5.758 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -17.611 -6.275 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.161 -7.692 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -18.158 -8.311 -1.222 0.15 0.00 H new ATOM 0 HE1 PHE A 13 -13.615 -10.024 -2.016 0.24 0.00 H new ATOM 0 HE2 PHE A 13 -17.613 -10.642 -0.671 0.91 0.00 H new ATOM 0 HZ PHE A 13 -15.342 -11.503 -1.067 0.28 0.00 H new ATOM 233 N LYS A 14 -17.832 -6.709 -5.133 1.00 0.00 N ATOM 234 CA LYS A 14 -18.461 -7.548 -6.145 0.50 0.00 C ATOM 235 C LYS A 14 -17.646 -7.569 -7.432 1.00 0.00 C ATOM 236 O LYS A 14 -17.309 -8.633 -7.950 1.00 0.00 O ATOM 237 CB LYS A 14 -19.865 -7.040 -6.440 0.67 0.00 C ATOM 238 CG LYS A 14 -20.928 -8.099 -6.236 0.47 0.00 C ATOM 239 CD LYS A 14 -22.310 -7.576 -6.566 1.00 0.00 C ATOM 240 CE LYS A 14 -22.714 -6.427 -5.651 0.94 0.00 C ATOM 241 NZ LYS A 14 -22.684 -6.823 -4.216 0.08 0.00 N ATOM 0 H LYS A 14 -18.423 -5.953 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.511 -8.564 -5.754 0.50 0.00 H new ATOM 0 HB2 LYS A 14 -20.080 -6.187 -5.796 0.67 0.00 H new ATOM 0 HB3 LYS A 14 -19.908 -6.682 -7.469 0.67 0.00 H new ATOM 0 HG2 LYS A 14 -20.706 -8.963 -6.863 0.47 0.00 H new ATOM 0 HG3 LYS A 14 -20.906 -8.442 -5.202 0.47 0.00 H new ATOM 0 HD2 LYS A 14 -22.334 -7.240 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.036 -8.384 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.042 -5.584 -5.809 0.94 0.00 H new ATOM 0 HE3 LYS A 14 -23.717 -6.089 -5.913 0.94 0.00 H new ATOM 0 HZ1 LYS A 14 -23.169 -6.100 -3.646 0.08 0.00 H new ATOM 0 HZ2 LYS A 14 -23.166 -7.737 -4.098 0.08 0.00 H new ATOM 0 HZ3 LYS A 14 -21.697 -6.908 -3.900 0.08 0.00 H new ATOM 255 N ARG A 15 -17.338 -6.385 -7.944 1.00 0.00 N ATOM 256 CA ARG A 15 -16.570 -6.253 -9.174 1.00 0.00 C ATOM 257 C ARG A 15 -15.131 -6.735 -8.987 0.10 0.00 C ATOM 258 O ARG A 15 -14.476 -7.142 -9.947 0.11 0.00 O ATOM 259 CB ARG A 15 -16.574 -4.792 -9.630 0.12 0.00 C ATOM 260 CG ARG A 15 -16.281 -4.607 -11.108 0.14 0.00 C ATOM 261 CD ARG A 15 -17.450 -5.057 -11.968 0.67 0.00 C ATOM 262 NE ARG A 15 -17.495 -6.509 -12.123 1.00 0.00 N ATOM 263 CZ ARG A 15 -18.370 -7.142 -12.897 0.11 0.00 C ATOM 264 NH1 ARG A 15 -19.274 -6.455 -13.584 0.07 0.00 N ATOM 265 NH2 ARG A 15 -18.345 -8.465 -12.984 0.18 0.00 N ATOM 0 H ARG A 15 -17.611 -5.497 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.038 -6.877 -9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.547 -4.354 -9.405 0.12 0.00 H new ATOM 0 HB3 ARG A 15 -15.834 -4.239 -9.051 0.12 0.00 H new ATOM 0 HG2 ARG A 15 -16.063 -3.558 -11.308 0.14 0.00 H new ATOM 0 HG3 ARG A 15 -15.390 -5.175 -11.377 0.14 0.00 H new ATOM 0 HD2 ARG A 15 -18.382 -4.712 -11.520 0.67 0.00 H new ATOM 0 HD3 ARG A 15 -17.377 -4.591 -12.950 0.67 0.00 H new ATOM 0 HE ARG A 15 -16.816 -7.069 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.299 -5.437 -13.519 0.07 0.00 H new ATOM 0 HH12 ARG A 15 -19.944 -6.945 -14.177 0.07 0.00 H new ATOM 0 HH21 ARG A 15 -17.654 -8.998 -12.456 0.18 0.00 H new ATOM 0 HH22 ARG A 15 -19.017 -8.950 -13.579 0.18 0.00 H new ATOM 279 N LEU A 16 -14.647 -6.688 -7.748 0.08 0.00 N ATOM 280 CA LEU A 16 -13.281 -7.107 -7.444 0.16 0.00 C ATOM 281 C LEU A 16 -13.128 -8.623 -7.525 0.32 0.00 C ATOM 282 O LEU A 16 -12.231 -9.126 -8.201 0.86 0.00 O ATOM 283 CB LEU A 16 -12.873 -6.610 -6.053 1.00 0.00 C ATOM 284 CG LEU A 16 -11.374 -6.683 -5.745 0.43 0.00 C ATOM 285 CD1 LEU A 16 -10.994 -5.638 -4.708 0.19 0.00 C ATOM 286 CD2 LEU A 16 -10.989 -8.074 -5.258 1.00 0.00 C ATOM 0 H LEU A 16 -15.179 -6.365 -6.940 0.08 0.00 H new ATOM 0 HA LEU A 16 -12.623 -6.665 -8.192 0.16 0.00 H new ATOM 0 HB2 LEU A 16 -13.199 -5.576 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.410 -7.194 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.827 -6.478 -6.665 0.43 0.00 H new ATOM 0 HD11 LEU A 16 -9.926 -5.703 -4.500 0.19 0.00 H new ATOM 0 HD12 LEU A 16 -11.230 -4.644 -5.089 0.19 0.00 H new ATOM 0 HD13 LEU A 16 -11.554 -5.816 -3.790 0.19 0.00 H new ATOM 0 HD21 LEU A 16 -9.920 -8.102 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.546 -8.309 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.225 -8.808 -6.029 1.00 0.00 H new ATOM 298 N GLN A 17 -14.002 -9.347 -6.833 0.64 0.00 N ATOM 299 CA GLN A 17 -13.951 -10.802 -6.823 1.00 0.00 C ATOM 300 C GLN A 17 -14.124 -11.377 -8.227 0.16 0.00 C ATOM 301 O GLN A 17 -13.615 -12.457 -8.530 0.20 0.00 O ATOM 302 CB GLN A 17 -15.029 -11.353 -5.889 1.00 0.00 C ATOM 303 CG GLN A 17 -16.445 -10.988 -6.302 0.09 0.00 C ATOM 304 CD GLN A 17 -17.500 -11.665 -5.447 0.39 0.00 C ATOM 305 OE1 GLN A 17 -17.176 -11.911 -4.181 1.00 0.00 O flip ATOM 306 NE2 GLN A 17 -18.598 -11.962 -5.918 0.50 0.00 N flip ATOM 0 H GLN A 17 -14.754 -8.948 -6.272 0.64 0.00 H new ATOM 0 HA GLN A 17 -12.969 -11.104 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.941 -12.439 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.847 -10.981 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.570 -9.907 -6.237 0.09 0.00 H new ATOM 0 HG3 GLN A 17 -16.597 -11.265 -7.345 0.09 0.00 H new ATOM 0 HE21 GLN A 17 -18.807 -11.756 -6.895 0.50 0.00 H new ATOM 0 HE22 GLN A 17 -19.299 -12.414 -5.331 0.50 0.00 H new ATOM 315 N GLU A 18 -14.836 -10.650 -9.082 0.16 0.00 N ATOM 316 CA GLU A 18 -15.076 -11.097 -10.452 0.79 0.00 C ATOM 317 C GLU A 18 -13.875 -10.800 -11.344 1.00 0.00 C ATOM 318 O GLU A 18 -13.512 -11.607 -12.201 0.11 0.00 O ATOM 319 CB GLU A 18 -16.323 -10.422 -11.021 0.14 0.00 C ATOM 320 CG GLU A 18 -17.599 -10.756 -10.265 0.35 0.00 C ATOM 321 CD GLU A 18 -17.927 -12.236 -10.296 0.25 0.00 C ATOM 322 OE1 GLU A 18 -17.453 -12.969 -9.405 0.06 0.00 O ATOM 323 OE2 GLU A 18 -18.662 -12.659 -11.214 1.00 0.00 O ATOM 0 H GLU A 18 -15.257 -9.750 -8.852 0.16 0.00 H new ATOM 0 HA GLU A 18 -15.231 -12.176 -10.430 0.79 0.00 H new ATOM 0 HB2 GLU A 18 -16.177 -9.342 -11.010 0.14 0.00 H new ATOM 0 HB3 GLU A 18 -16.441 -10.717 -12.064 0.14 0.00 H new ATOM 0 HG2 GLU A 18 -17.498 -10.432 -9.229 0.35 0.00 H new ATOM 0 HG3 GLU A 18 -18.429 -10.195 -10.695 0.35 0.00 H new ATOM 330 N ASP A 19 -13.263 -9.639 -11.139 0.46 0.00 N ATOM 331 CA ASP A 19 -12.103 -9.234 -11.924 0.07 0.00 C ATOM 332 C ASP A 19 -11.155 -8.379 -11.084 0.48 0.00 C ATOM 333 O ASP A 19 -11.169 -7.150 -11.178 1.00 0.00 O ATOM 334 CB ASP A 19 -12.545 -8.460 -13.167 0.43 0.00 C ATOM 335 CG ASP A 19 -11.375 -8.072 -14.052 1.00 0.00 C ATOM 336 OD1 ASP A 19 -10.984 -8.891 -14.910 0.08 0.00 O ATOM 337 OD2 ASP A 19 -10.851 -6.951 -13.887 0.06 0.00 O ATOM 0 H ASP A 19 -13.552 -8.960 -10.434 0.46 0.00 H new ATOM 0 HA ASP A 19 -11.573 -10.133 -12.238 0.07 0.00 H new ATOM 0 HB2 ASP A 19 -13.245 -9.068 -13.740 0.43 0.00 H new ATOM 0 HB3 ASP A 19 -13.080 -7.561 -12.861 0.43 0.00 H new ATOM 342 N PRO A 20 -10.328 -9.021 -10.239 1.00 0.00 N ATOM 343 CA PRO A 20 -9.373 -8.313 -9.380 0.60 0.00 C ATOM 344 C PRO A 20 -8.211 -7.715 -10.171 0.13 0.00 C ATOM 345 O PRO A 20 -7.915 -8.162 -11.279 0.43 0.00 O ATOM 346 CB PRO A 20 -8.868 -9.407 -8.437 0.10 0.00 C ATOM 347 CG PRO A 20 -9.031 -10.670 -9.209 0.05 0.00 C ATOM 348 CD PRO A 20 -10.263 -10.483 -10.049 0.05 0.00 C ATOM 0 HA PRO A 20 -9.834 -7.468 -8.869 0.60 0.00 H new ATOM 0 HB2 PRO A 20 -7.827 -9.243 -8.160 0.10 0.00 H new ATOM 0 HB3 PRO A 20 -9.444 -9.430 -7.512 0.10 0.00 H new ATOM 0 HG2 PRO A 20 -8.158 -10.862 -9.833 0.05 0.00 H new ATOM 0 HG3 PRO A 20 -9.139 -11.525 -8.541 0.05 0.00 H new ATOM 0 HD2 PRO A 20 -10.184 -11.009 -11.001 0.05 0.00 H new ATOM 0 HD3 PRO A 20 -11.153 -10.863 -9.547 0.05 0.00 H new ATOM 356 N PRO A 21 -7.537 -6.691 -9.614 1.00 0.00 N ATOM 357 CA PRO A 21 -6.400 -6.043 -10.278 0.18 0.00 C ATOM 358 C PRO A 21 -5.253 -7.016 -10.529 0.18 0.00 C ATOM 359 O PRO A 21 -5.089 -7.998 -9.807 0.09 0.00 O ATOM 360 CB PRO A 21 -5.969 -4.950 -9.293 0.25 0.00 C ATOM 361 CG PRO A 21 -6.561 -5.344 -7.983 1.00 0.00 C ATOM 362 CD PRO A 21 -7.826 -6.085 -8.302 0.11 0.00 C ATOM 0 HA PRO A 21 -6.673 -5.656 -11.260 0.18 0.00 H new ATOM 0 HB2 PRO A 21 -4.883 -4.884 -9.230 0.25 0.00 H new ATOM 0 HB3 PRO A 21 -6.330 -3.971 -9.609 0.25 0.00 H new ATOM 0 HG2 PRO A 21 -5.873 -5.973 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.768 -4.467 -7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.051 -6.841 -7.550 0.11 0.00 H new ATOM 0 HD3 PRO A 21 -8.685 -5.415 -8.348 0.11 0.00 H new ATOM 370 N VAL A 22 -4.465 -6.736 -11.562 0.06 0.00 N ATOM 371 CA VAL A 22 -3.333 -7.587 -11.912 1.00 0.00 C ATOM 372 C VAL A 22 -2.066 -7.137 -11.189 1.00 0.00 C ATOM 373 O VAL A 22 -1.686 -5.967 -11.254 0.08 0.00 O ATOM 374 CB VAL A 22 -3.079 -7.584 -13.432 0.28 0.00 C ATOM 375 CG1 VAL A 22 -1.969 -8.559 -13.795 0.29 0.00 C ATOM 376 CG2 VAL A 22 -4.358 -7.916 -14.186 0.70 0.00 C ATOM 0 H VAL A 22 -4.589 -5.927 -12.171 0.06 0.00 H new ATOM 0 HA VAL A 22 -3.585 -8.600 -11.598 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.759 -6.584 -13.725 0.28 0.00 H new ATOM 0 HG11 VAL A 22 -1.807 -8.541 -14.873 0.29 0.00 H new ATOM 0 HG12 VAL A 22 -1.050 -8.271 -13.284 0.29 0.00 H new ATOM 0 HG13 VAL A 22 -2.254 -9.565 -13.488 0.29 0.00 H new ATOM 0 HG21 VAL A 22 -4.161 -7.910 -15.258 0.70 0.00 H new ATOM 0 HG22 VAL A 22 -4.710 -8.904 -13.888 0.70 0.00 H new ATOM 0 HG23 VAL A 22 -5.121 -7.173 -13.953 0.70 0.00 H new ATOM 386 N GLY A 23 -1.419 -8.072 -10.500 1.00 0.00 N ATOM 387 CA GLY A 23 -0.203 -7.753 -9.772 0.06 0.00 C ATOM 388 C GLY A 23 -0.455 -7.548 -8.291 0.23 0.00 C ATOM 389 O GLY A 23 0.436 -7.753 -7.467 0.58 0.00 O ATOM 0 H GLY A 23 -1.715 -9.046 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.520 -8.557 -9.907 0.06 0.00 H new ATOM 0 HA3 GLY A 23 0.242 -6.850 -10.191 0.06 0.00 H new ATOM 393 N VAL A 24 -1.674 -7.138 -7.954 1.00 0.00 N ATOM 394 CA VAL A 24 -2.051 -6.902 -6.565 0.24 0.00 C ATOM 395 C VAL A 24 -3.469 -7.395 -6.294 0.11 0.00 C ATOM 396 O VAL A 24 -4.289 -7.485 -7.206 1.00 0.00 O ATOM 397 CB VAL A 24 -1.972 -5.405 -6.208 0.34 0.00 C ATOM 398 CG1 VAL A 24 -0.535 -4.911 -6.269 0.63 0.00 C ATOM 399 CG2 VAL A 24 -2.861 -4.588 -7.134 0.06 0.00 C ATOM 0 H VAL A 24 -2.420 -6.962 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.345 -7.456 -5.946 0.24 0.00 H new ATOM 0 HB VAL A 24 -2.331 -5.278 -5.187 0.34 0.00 H new ATOM 0 HG11 VAL A 24 -0.503 -3.852 -6.013 0.63 0.00 H new ATOM 0 HG12 VAL A 24 0.074 -5.474 -5.561 0.63 0.00 H new ATOM 0 HG13 VAL A 24 -0.144 -5.053 -7.276 0.63 0.00 H new ATOM 0 HG21 VAL A 24 -2.793 -3.533 -6.867 0.06 0.00 H new ATOM 0 HG22 VAL A 24 -2.534 -4.723 -8.165 0.06 0.00 H new ATOM 0 HG23 VAL A 24 -3.894 -4.921 -7.034 0.06 0.00 H new ATOM 409 N SER A 25 -3.750 -7.714 -5.035 0.12 0.00 N ATOM 410 CA SER A 25 -5.073 -8.190 -4.650 0.25 0.00 C ATOM 411 C SER A 25 -5.470 -7.651 -3.281 0.07 0.00 C ATOM 412 O SER A 25 -4.634 -7.525 -2.388 1.00 0.00 O ATOM 413 CB SER A 25 -5.110 -9.717 -4.638 0.79 0.00 C ATOM 414 OG SER A 25 -6.411 -10.195 -4.344 0.37 0.00 O ATOM 0 H SER A 25 -3.082 -7.652 -4.267 0.12 0.00 H new ATOM 0 HA SER A 25 -5.788 -7.823 -5.387 0.25 0.00 H new ATOM 0 HB2 SER A 25 -4.790 -10.099 -5.607 0.79 0.00 H new ATOM 0 HB3 SER A 25 -4.405 -10.095 -3.898 0.79 0.00 H new ATOM 0 HG SER A 25 -6.407 -11.175 -4.344 0.37 0.00 H new ATOM 420 N GLY A 26 -6.748 -7.326 -3.129 0.46 0.00 N ATOM 421 CA GLY A 26 -7.238 -6.807 -1.866 1.00 0.00 C ATOM 422 C GLY A 26 -8.671 -7.215 -1.587 0.20 0.00 C ATOM 423 O GLY A 26 -9.605 -6.661 -2.169 0.19 0.00 O ATOM 0 H GLY A 26 -7.455 -7.413 -3.859 0.46 0.00 H new ATOM 0 HA2 GLY A 26 -6.599 -7.163 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.168 -5.719 -1.872 1.00 0.00 H new ATOM 427 N ALA A 27 -8.848 -8.184 -0.695 0.45 0.00 N ATOM 428 CA ALA A 27 -10.178 -8.665 -0.344 0.66 0.00 C ATOM 429 C ALA A 27 -10.253 -9.052 1.131 0.09 0.00 C ATOM 430 O ALA A 27 -9.248 -9.443 1.726 0.16 0.00 O ATOM 431 CB ALA A 27 -10.556 -9.848 -1.224 0.16 0.00 C ATOM 0 H ALA A 27 -8.087 -8.651 -0.202 0.45 0.00 H new ATOM 0 HA ALA A 27 -10.888 -7.856 -0.514 0.66 0.00 H new ATOM 0 HB1 ALA A 27 -11.552 -10.199 -0.953 0.16 0.00 H new ATOM 0 HB2 ALA A 27 -10.552 -9.540 -2.269 0.16 0.00 H new ATOM 0 HB3 ALA A 27 -9.835 -10.653 -1.080 0.16 0.00 H new ATOM 437 N PRO A 28 -11.448 -8.948 1.746 0.74 0.00 N ATOM 438 CA PRO A 28 -11.637 -9.290 3.159 1.00 0.00 C ATOM 439 C PRO A 28 -11.546 -10.792 3.406 0.07 0.00 C ATOM 440 O PRO A 28 -12.407 -11.556 2.968 1.00 0.00 O ATOM 441 CB PRO A 28 -13.047 -8.781 3.464 0.10 0.00 C ATOM 442 CG PRO A 28 -13.750 -8.806 2.151 0.21 0.00 C ATOM 443 CD PRO A 28 -12.704 -8.497 1.115 0.66 0.00 C ATOM 0 HA PRO A 28 -10.867 -8.850 3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.548 -9.417 4.194 0.10 0.00 H new ATOM 0 HB3 PRO A 28 -13.023 -7.774 3.881 0.10 0.00 H new ATOM 0 HG2 PRO A 28 -14.203 -9.781 1.969 0.21 0.00 H new ATOM 0 HG3 PRO A 28 -14.554 -8.071 2.125 0.21 0.00 H new ATOM 0 HD2 PRO A 28 -12.896 -9.025 0.181 0.66 0.00 H new ATOM 0 HD3 PRO A 28 -12.675 -7.433 0.879 0.66 0.00 H new ATOM 451 N SER A 29 -10.498 -11.209 4.109 0.16 0.00 N ATOM 452 CA SER A 29 -10.294 -12.621 4.411 0.16 0.00 C ATOM 453 C SER A 29 -11.016 -13.015 5.696 0.07 0.00 C ATOM 454 O SER A 29 -12.055 -13.673 5.657 0.19 0.00 O ATOM 455 CB SER A 29 -8.800 -12.927 4.536 1.00 0.00 C ATOM 456 OG SER A 29 -8.123 -12.681 3.314 1.00 0.00 O ATOM 0 H SER A 29 -9.777 -10.590 4.480 0.16 0.00 H new ATOM 0 HA SER A 29 -10.710 -13.205 3.590 0.16 0.00 H new ATOM 0 HB2 SER A 29 -8.365 -12.314 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.662 -13.968 4.828 1.00 0.00 H new ATOM 0 HG SER A 29 -7.573 -13.459 3.082 1.00 0.00 H new ATOM 462 N GLU A 30 -10.458 -12.609 6.833 0.34 0.00 N ATOM 463 CA GLU A 30 -11.048 -12.921 8.131 0.59 0.00 C ATOM 464 C GLU A 30 -11.538 -11.652 8.821 0.65 0.00 C ATOM 465 O GLU A 30 -12.496 -11.684 9.595 0.12 0.00 O ATOM 466 CB GLU A 30 -10.027 -13.639 9.017 0.10 0.00 C ATOM 467 CG GLU A 30 -10.584 -14.067 10.364 1.00 0.00 C ATOM 468 CD GLU A 30 -9.552 -14.765 11.228 0.09 0.00 C ATOM 469 OE1 GLU A 30 -8.845 -14.069 11.988 0.35 0.00 O ATOM 470 OE2 GLU A 30 -9.450 -16.006 11.144 0.29 0.00 O ATOM 0 H GLU A 30 -9.598 -12.063 6.882 0.34 0.00 H new ATOM 0 HA GLU A 30 -11.903 -13.578 7.969 0.59 0.00 H new ATOM 0 HB2 GLU A 30 -9.657 -14.519 8.490 0.10 0.00 H new ATOM 0 HB3 GLU A 30 -9.173 -12.981 9.179 0.10 0.00 H new ATOM 0 HG2 GLU A 30 -10.961 -13.191 10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.432 -14.734 10.207 1.00 0.00 H new ATOM 477 N ASN A 31 -10.874 -10.538 8.534 0.09 0.00 N ATOM 478 CA ASN A 31 -11.239 -9.254 9.124 0.67 0.00 C ATOM 479 C ASN A 31 -12.571 -8.761 8.573 0.07 0.00 C ATOM 480 O ASN A 31 -12.895 -8.995 7.407 0.18 0.00 O ATOM 481 CB ASN A 31 -10.149 -8.216 8.853 0.59 0.00 C ATOM 482 CG ASN A 31 -8.791 -8.657 9.362 0.30 0.00 C ATOM 483 OD1 ASN A 31 -8.426 -8.389 10.507 0.39 0.00 O ATOM 484 ND2 ASN A 31 -8.032 -9.338 8.511 1.00 0.00 N ATOM 0 H ASN A 31 -10.079 -10.497 7.896 0.09 0.00 H new ATOM 0 HA ASN A 31 -11.340 -9.394 10.200 0.67 0.00 H new ATOM 0 HB2 ASN A 31 -10.089 -8.028 7.781 0.59 0.00 H new ATOM 0 HB3 ASN A 31 -10.423 -7.273 9.327 0.59 0.00 H new ATOM 0 HD21 ASN A 31 -7.108 -9.661 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.373 -9.539 7.571 1.00 0.00 H new ATOM 491 N ASN A 32 -13.341 -8.082 9.418 0.19 0.00 N ATOM 492 CA ASN A 32 -14.639 -7.552 9.016 1.00 0.00 C ATOM 493 C ASN A 32 -14.495 -6.600 7.829 0.13 0.00 C ATOM 494 O ASN A 32 -13.385 -6.330 7.370 0.21 0.00 O ATOM 495 CB ASN A 32 -15.303 -6.829 10.190 0.54 0.00 C ATOM 496 CG ASN A 32 -14.373 -5.838 10.860 0.05 0.00 C ATOM 497 OD1 ASN A 32 -13.452 -5.312 10.235 0.28 0.00 O ATOM 498 ND2 ASN A 32 -14.609 -5.575 12.142 1.00 0.00 N ATOM 0 H ASN A 32 -13.088 -7.886 10.386 0.19 0.00 H new ATOM 0 HA ASN A 32 -15.268 -8.389 8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -16.192 -6.307 9.836 0.54 0.00 H new ATOM 0 HB3 ASN A 32 -15.636 -7.563 10.923 0.54 0.00 H new ATOM 0 HD21 ASN A 32 -14.016 -4.915 12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.383 -6.033 12.622 1.00 0.00 H new ATOM 505 N ILE A 33 -15.620 -6.091 7.338 0.48 0.00 N ATOM 506 CA ILE A 33 -15.615 -5.177 6.199 0.63 0.00 C ATOM 507 C ILE A 33 -14.756 -3.944 6.474 1.00 0.00 C ATOM 508 O ILE A 33 -14.286 -3.284 5.547 0.09 0.00 O ATOM 509 CB ILE A 33 -17.045 -4.733 5.827 1.00 0.00 C ATOM 510 CG1 ILE A 33 -17.029 -3.883 4.555 1.00 0.00 C ATOM 511 CG2 ILE A 33 -17.680 -3.965 6.980 1.00 0.00 C ATOM 512 CD1 ILE A 33 -18.403 -3.629 3.975 0.59 0.00 C ATOM 0 H ILE A 33 -16.547 -6.295 7.710 0.48 0.00 H new ATOM 0 HA ILE A 33 -15.185 -5.724 5.360 0.63 0.00 H new ATOM 0 HB ILE A 33 -17.645 -5.623 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -16.554 -2.926 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.414 -4.380 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.688 -3.659 6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.725 -4.604 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -17.081 -3.082 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -18.311 -3.020 3.076 0.59 0.00 H new ATOM 0 HD12 ILE A 33 -18.873 -4.580 3.723 0.59 0.00 H new ATOM 0 HD13 ILE A 33 -19.016 -3.104 4.708 0.59 0.00 H new ATOM 524 N MET A 34 -14.549 -3.640 7.753 0.08 0.00 N ATOM 525 CA MET A 34 -13.747 -2.486 8.142 1.00 0.00 C ATOM 526 C MET A 34 -12.291 -2.657 7.712 0.13 0.00 C ATOM 527 O MET A 34 -11.647 -1.703 7.277 0.90 0.00 O ATOM 528 CB MET A 34 -13.819 -2.270 9.655 0.56 0.00 C ATOM 529 CG MET A 34 -15.228 -2.014 10.167 0.06 0.00 C ATOM 530 SD MET A 34 -15.285 -1.778 11.955 0.83 0.00 S ATOM 531 CE MET A 34 -17.038 -1.519 12.206 0.12 0.00 C ATOM 0 H MET A 34 -14.925 -4.176 8.535 0.08 0.00 H new ATOM 0 HA MET A 34 -14.156 -1.611 7.636 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.412 -3.147 10.159 0.56 0.00 H new ATOM 0 HB3 MET A 34 -13.185 -1.425 9.924 0.56 0.00 H new ATOM 0 HG2 MET A 34 -15.634 -1.131 9.675 0.06 0.00 H new ATOM 0 HG3 MET A 34 -15.868 -2.853 9.895 0.06 0.00 H new ATOM 0 HE1 MET A 34 -17.234 -1.358 13.266 0.12 0.00 H new ATOM 0 HE2 MET A 34 -17.361 -0.645 11.640 0.12 0.00 H new ATOM 0 HE3 MET A 34 -17.588 -2.396 11.864 0.12 0.00 H new ATOM 541 N GLN A 35 -11.778 -3.880 7.836 0.07 0.00 N ATOM 542 CA GLN A 35 -10.398 -4.172 7.462 0.05 0.00 C ATOM 543 C GLN A 35 -10.330 -5.205 6.342 0.24 0.00 C ATOM 544 O GLN A 35 -11.010 -6.229 6.382 1.00 0.00 O ATOM 545 CB GLN A 35 -9.610 -4.667 8.675 0.50 0.00 C ATOM 546 CG GLN A 35 -9.174 -3.549 9.605 0.63 0.00 C ATOM 547 CD GLN A 35 -8.686 -4.056 10.949 0.21 0.00 C ATOM 548 OE1 GLN A 35 -8.103 -5.250 10.959 0.67 0.00 O flip ATOM 549 NE2 GLN A 35 -8.828 -3.380 11.969 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.297 -4.682 8.192 0.07 0.00 H new ATOM 0 HA GLN A 35 -9.952 -3.246 7.098 0.05 0.00 H new ATOM 0 HB2 GLN A 35 -10.222 -5.376 9.232 0.50 0.00 H new ATOM 0 HB3 GLN A 35 -8.729 -5.208 8.331 0.50 0.00 H new ATOM 0 HG2 GLN A 35 -8.379 -2.976 9.128 0.63 0.00 H new ATOM 0 HG3 GLN A 35 -10.009 -2.867 9.761 0.63 0.00 H new ATOM 0 HE21 GLN A 35 -9.281 -2.468 11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.492 -3.732 12.865 1.00 0.00 H new ATOM 558 N TRP A 36 -9.497 -4.924 5.346 0.17 0.00 N ATOM 559 CA TRP A 36 -9.333 -5.822 4.205 1.00 0.00 C ATOM 560 C TRP A 36 -7.908 -6.362 4.138 0.14 0.00 C ATOM 561 O TRP A 36 -6.958 -5.677 4.511 0.88 0.00 O ATOM 562 CB TRP A 36 -9.673 -5.094 2.899 1.00 0.00 C ATOM 563 CG TRP A 36 -11.147 -4.939 2.658 0.45 0.00 C ATOM 564 CD1 TRP A 36 -12.118 -4.727 3.594 0.77 0.00 C ATOM 565 CD2 TRP A 36 -11.815 -4.976 1.392 0.08 0.00 C ATOM 566 NE1 TRP A 36 -13.346 -4.636 2.989 1.00 0.00 N ATOM 567 CE2 TRP A 36 -13.187 -4.785 1.636 1.00 0.00 C ATOM 568 CE3 TRP A 36 -11.384 -5.154 0.072 0.12 0.00 C ATOM 569 CZ2 TRP A 36 -14.132 -4.767 0.613 1.00 0.00 C ATOM 570 CZ3 TRP A 36 -12.324 -5.136 -0.942 0.23 0.00 C ATOM 571 CH2 TRP A 36 -13.682 -4.943 -0.668 1.00 0.00 C ATOM 0 H TRP A 36 -8.924 -4.081 5.304 0.17 0.00 H new ATOM 0 HA TRP A 36 -10.017 -6.660 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.211 -4.107 2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.233 -5.640 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.945 -4.643 4.657 0.77 0.00 H new ATOM 0 HE1 TRP A 36 -14.233 -4.482 3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -10.338 -5.303 -0.150 0.12 0.00 H new ATOM 0 HZ2 TRP A 36 -15.181 -4.620 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -12.004 -5.273 -1.964 0.23 0.00 H new ATOM 0 HH2 TRP A 36 -14.390 -4.933 -1.484 1.00 0.00 H new ATOM 582 N ASN A 37 -7.769 -7.591 3.651 0.13 0.00 N ATOM 583 CA ASN A 37 -6.457 -8.221 3.532 0.30 0.00 C ATOM 584 C ASN A 37 -5.949 -8.130 2.098 0.05 0.00 C ATOM 585 O ASN A 37 -6.441 -8.824 1.208 0.66 0.00 O ATOM 586 CB ASN A 37 -6.524 -9.685 3.968 0.26 0.00 C ATOM 587 CG ASN A 37 -5.185 -10.386 3.845 0.34 0.00 C ATOM 588 OD1 ASN A 37 -4.131 -9.762 3.977 0.54 0.00 O ATOM 589 ND2 ASN A 37 -5.219 -11.688 3.588 0.10 0.00 N ATOM 0 H ASN A 37 -8.546 -8.170 3.333 0.13 0.00 H new ATOM 0 HA ASN A 37 -5.764 -7.690 4.185 0.30 0.00 H new ATOM 0 HB2 ASN A 37 -6.865 -9.738 5.002 0.26 0.00 H new ATOM 0 HB3 ASN A 37 -7.262 -10.209 3.361 0.26 0.00 H new ATOM 0 HD21 ASN A 37 -4.349 -12.212 3.492 0.10 0.00 H new ATOM 0 HD22 ASN A 37 -6.115 -12.165 3.486 0.10 0.00 H new ATOM 596 N ALA A 38 -4.959 -7.267 1.881 0.50 0.00 N ATOM 597 CA ALA A 38 -4.388 -7.078 0.553 1.00 0.00 C ATOM 598 C ALA A 38 -2.915 -7.460 0.517 0.12 0.00 C ATOM 599 O ALA A 38 -2.205 -7.343 1.516 0.99 0.00 O ATOM 600 CB ALA A 38 -4.570 -5.638 0.104 0.47 0.00 C ATOM 0 H ALA A 38 -4.537 -6.689 2.608 0.50 0.00 H new ATOM 0 HA ALA A 38 -4.918 -7.737 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.140 -5.509 -0.889 0.47 0.00 H new ATOM 0 HB2 ALA A 38 -5.633 -5.398 0.073 0.47 0.00 H new ATOM 0 HB3 ALA A 38 -4.068 -4.972 0.806 0.47 0.00 H new ATOM 606 N VAL A 39 -2.463 -7.921 -0.648 0.08 0.00 N ATOM 607 CA VAL A 39 -1.075 -8.320 -0.832 0.09 0.00 C ATOM 608 C VAL A 39 -0.495 -7.706 -2.102 0.08 0.00 C ATOM 609 O VAL A 39 -1.032 -7.891 -3.195 0.20 0.00 O ATOM 610 CB VAL A 39 -0.938 -9.854 -0.910 1.00 0.00 C ATOM 611 CG1 VAL A 39 0.520 -10.252 -1.070 0.27 0.00 C ATOM 612 CG2 VAL A 39 -1.546 -10.508 0.321 0.31 0.00 C ATOM 0 H VAL A 39 -3.043 -8.026 -1.480 0.08 0.00 H new ATOM 0 HA VAL A 39 -0.521 -7.956 0.034 0.09 0.00 H new ATOM 0 HB VAL A 39 -1.484 -10.205 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.597 -11.338 -1.123 0.27 0.00 H new ATOM 0 HG12 VAL A 39 0.918 -9.815 -1.986 0.27 0.00 H new ATOM 0 HG13 VAL A 39 1.092 -9.889 -0.216 0.27 0.00 H new ATOM 0 HG21 VAL A 39 -1.440 -11.590 0.248 0.31 0.00 H new ATOM 0 HG22 VAL A 39 -1.031 -10.152 1.214 0.31 0.00 H new ATOM 0 HG23 VAL A 39 -2.603 -10.251 0.385 0.31 0.00 H new ATOM 622 N ILE A 40 0.604 -6.974 -1.951 0.48 0.00 N ATOM 623 CA ILE A 40 1.261 -6.333 -3.085 0.49 0.00 C ATOM 624 C ILE A 40 2.609 -6.986 -3.371 0.10 0.00 C ATOM 625 O ILE A 40 3.440 -7.130 -2.474 0.58 0.00 O ATOM 626 CB ILE A 40 1.471 -4.826 -2.841 0.33 0.00 C ATOM 627 CG1 ILE A 40 0.124 -4.127 -2.634 0.12 0.00 C ATOM 628 CG2 ILE A 40 2.231 -4.200 -4.005 0.86 0.00 C ATOM 629 CD1 ILE A 40 0.244 -2.641 -2.366 0.24 0.00 C ATOM 0 H ILE A 40 1.059 -6.810 -1.053 0.48 0.00 H new ATOM 0 HA ILE A 40 0.605 -6.460 -3.946 0.49 0.00 H new ATOM 0 HB ILE A 40 2.066 -4.698 -1.936 0.33 0.00 H new ATOM 0 HG12 ILE A 40 -0.494 -4.279 -3.519 0.12 0.00 H new ATOM 0 HG13 ILE A 40 -0.395 -4.597 -1.799 0.12 0.00 H new ATOM 0 HG21 ILE A 40 2.371 -3.135 -3.817 0.86 0.00 H new ATOM 0 HG22 ILE A 40 3.203 -4.682 -4.106 0.86 0.00 H new ATOM 0 HG23 ILE A 40 1.662 -4.334 -4.925 0.86 0.00 H new ATOM 0 HD11 ILE A 40 -0.750 -2.214 -2.230 0.24 0.00 H new ATOM 0 HD12 ILE A 40 0.835 -2.480 -1.464 0.24 0.00 H new ATOM 0 HD13 ILE A 40 0.734 -2.157 -3.211 0.24 0.00 H new ATOM 641 N PHE A 41 2.819 -7.376 -4.623 0.74 0.00 N ATOM 642 CA PHE A 41 4.067 -8.013 -5.025 0.62 0.00 C ATOM 643 C PHE A 41 4.993 -7.012 -5.707 0.14 0.00 C ATOM 644 O PHE A 41 4.535 -6.064 -6.346 1.00 0.00 O ATOM 645 CB PHE A 41 3.784 -9.188 -5.963 0.11 0.00 C ATOM 646 CG PHE A 41 2.823 -10.193 -5.397 0.09 0.00 C ATOM 647 CD1 PHE A 41 3.113 -10.861 -4.217 1.00 0.00 C ATOM 648 CD2 PHE A 41 1.629 -10.470 -6.043 0.25 0.00 C ATOM 649 CE1 PHE A 41 2.229 -11.786 -3.695 0.39 0.00 C ATOM 650 CE2 PHE A 41 0.743 -11.395 -5.526 0.09 0.00 C ATOM 651 CZ PHE A 41 1.043 -12.053 -4.350 0.07 0.00 C ATOM 0 H PHE A 41 2.141 -7.262 -5.377 0.74 0.00 H new ATOM 0 HA PHE A 41 4.563 -8.385 -4.128 0.62 0.00 H new ATOM 0 HB2 PHE A 41 3.384 -8.804 -6.902 0.11 0.00 H new ATOM 0 HB3 PHE A 41 4.723 -9.689 -6.198 0.11 0.00 H new ATOM 0 HD1 PHE A 41 4.039 -10.656 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.388 -9.956 -6.962 0.25 0.00 H new ATOM 0 HE1 PHE A 41 2.466 -12.300 -2.775 0.39 0.00 H new ATOM 0 HE2 PHE A 41 -0.183 -11.603 -6.041 0.09 0.00 H new ATOM 0 HZ PHE A 41 0.351 -12.776 -3.943 0.07 0.00 H new ATOM 661 N GLY A 42 6.296 -7.230 -5.567 0.54 0.00 N ATOM 662 CA GLY A 42 7.265 -6.338 -6.176 0.71 0.00 C ATOM 663 C GLY A 42 7.359 -6.525 -7.681 0.20 0.00 C ATOM 664 O GLY A 42 7.282 -7.654 -8.168 0.25 0.00 O ATOM 0 H GLY A 42 6.698 -8.007 -5.043 0.54 0.00 H new ATOM 0 HA2 GLY A 42 6.992 -5.306 -5.957 0.71 0.00 H new ATOM 0 HA3 GLY A 42 8.244 -6.510 -5.729 0.71 0.00 H new ATOM 668 N PRO A 43 7.528 -5.432 -8.452 1.00 0.00 N ATOM 669 CA PRO A 43 7.629 -5.507 -9.910 1.00 0.00 C ATOM 670 C PRO A 43 9.004 -5.981 -10.369 0.19 0.00 C ATOM 671 O PRO A 43 10.020 -5.660 -9.750 0.13 0.00 O ATOM 672 CB PRO A 43 7.386 -4.064 -10.349 0.11 0.00 C ATOM 673 CG PRO A 43 7.880 -3.239 -9.214 0.71 0.00 C ATOM 674 CD PRO A 43 7.631 -4.043 -7.964 0.30 0.00 C ATOM 0 HA PRO A 43 6.926 -6.222 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.922 -3.834 -11.269 0.11 0.00 H new ATOM 0 HB3 PRO A 43 6.329 -3.881 -10.542 0.11 0.00 H new ATOM 0 HG2 PRO A 43 8.941 -3.017 -9.328 0.71 0.00 H new ATOM 0 HG3 PRO A 43 7.357 -2.284 -9.172 0.71 0.00 H new ATOM 0 HD2 PRO A 43 8.445 -3.930 -7.247 0.30 0.00 H new ATOM 0 HD3 PRO A 43 6.717 -3.727 -7.461 0.30 0.00 H new ATOM 682 N GLU A 44 9.027 -6.745 -11.453 0.16 0.00 N ATOM 683 CA GLU A 44 10.276 -7.265 -11.998 0.13 0.00 C ATOM 684 C GLU A 44 11.233 -6.128 -12.341 0.09 0.00 C ATOM 685 O GLU A 44 10.864 -5.183 -13.039 1.00 0.00 O ATOM 686 CB GLU A 44 10.001 -8.111 -13.243 0.07 0.00 C ATOM 687 CG GLU A 44 11.247 -8.758 -13.830 0.46 0.00 C ATOM 688 CD GLU A 44 11.920 -9.712 -12.861 0.05 0.00 C ATOM 689 OE1 GLU A 44 11.474 -10.874 -12.767 0.99 0.00 O ATOM 690 OE2 GLU A 44 12.895 -9.296 -12.199 0.18 0.00 O ATOM 0 H GLU A 44 8.194 -7.019 -11.974 0.16 0.00 H new ATOM 0 HA GLU A 44 10.743 -7.892 -11.239 0.13 0.00 H new ATOM 0 HB2 GLU A 44 9.282 -8.891 -12.990 0.07 0.00 H new ATOM 0 HB3 GLU A 44 9.536 -7.483 -14.003 0.07 0.00 H new ATOM 0 HG2 GLU A 44 10.978 -9.298 -14.738 0.46 0.00 H new ATOM 0 HG3 GLU A 44 11.954 -7.980 -14.119 0.46 0.00 H new ATOM 697 N GLY A 45 12.463 -6.227 -11.847 0.05 0.00 N ATOM 698 CA GLY A 45 13.454 -5.200 -12.110 0.10 0.00 C ATOM 699 C GLY A 45 13.767 -4.369 -10.880 0.54 0.00 C ATOM 700 O GLY A 45 14.561 -3.429 -10.945 1.00 0.00 O ATOM 0 H GLY A 45 12.791 -7.001 -11.269 0.05 0.00 H new ATOM 0 HA2 GLY A 45 14.370 -5.667 -12.472 0.10 0.00 H new ATOM 0 HA3 GLY A 45 13.094 -4.546 -12.905 0.10 0.00 H new ATOM 704 N THR A 46 13.141 -4.713 -9.758 0.64 0.00 N ATOM 705 CA THR A 46 13.360 -3.995 -8.508 1.00 0.00 C ATOM 706 C THR A 46 13.887 -4.935 -7.425 0.48 0.00 C ATOM 707 O THR A 46 13.695 -6.146 -7.506 0.10 0.00 O ATOM 708 CB THR A 46 12.063 -3.328 -8.010 0.69 0.00 C ATOM 709 OG1 THR A 46 11.083 -4.327 -7.704 0.56 0.00 O ATOM 710 CG2 THR A 46 11.511 -2.372 -9.058 1.00 0.00 C ATOM 0 H THR A 46 12.478 -5.485 -9.690 0.64 0.00 H new ATOM 0 HA THR A 46 14.101 -3.221 -8.708 1.00 0.00 H new ATOM 0 HB THR A 46 12.295 -2.761 -7.109 0.69 0.00 H new ATOM 0 HG1 THR A 46 10.839 -4.808 -8.522 0.56 0.00 H new ATOM 0 HG21 THR A 46 10.596 -1.913 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.248 -1.596 -9.267 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.294 -2.922 -9.974 1.00 0.00 H new ATOM 718 N PRO A 47 14.560 -4.392 -6.392 0.65 0.00 N ATOM 719 CA PRO A 47 15.109 -5.202 -5.296 0.24 0.00 C ATOM 720 C PRO A 47 14.018 -5.839 -4.439 0.60 0.00 C ATOM 721 O PRO A 47 14.309 -6.571 -3.492 0.53 0.00 O ATOM 722 CB PRO A 47 15.912 -4.194 -4.470 1.00 0.00 C ATOM 723 CG PRO A 47 15.291 -2.876 -4.775 0.05 0.00 C ATOM 724 CD PRO A 47 14.845 -2.956 -6.207 0.25 0.00 C ATOM 0 HA PRO A 47 15.702 -6.036 -5.670 0.24 0.00 H new ATOM 0 HB2 PRO A 47 15.857 -4.421 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.967 -4.208 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.448 -2.678 -4.113 0.05 0.00 H new ATOM 0 HG3 PRO A 47 16.005 -2.065 -4.632 0.05 0.00 H new ATOM 0 HD2 PRO A 47 13.962 -2.344 -6.388 0.25 0.00 H new ATOM 0 HD3 PRO A 47 15.620 -2.608 -6.890 0.25 0.00 H new ATOM 732 N PHE A 48 12.763 -5.555 -4.776 0.07 0.00 N ATOM 733 CA PHE A 48 11.629 -6.100 -4.035 0.17 0.00 C ATOM 734 C PHE A 48 10.981 -7.250 -4.801 0.15 0.00 C ATOM 735 O PHE A 48 10.128 -7.961 -4.268 1.00 0.00 O ATOM 736 CB PHE A 48 10.588 -5.008 -3.772 0.32 0.00 C ATOM 737 CG PHE A 48 11.175 -3.719 -3.268 0.43 0.00 C ATOM 738 CD1 PHE A 48 11.380 -3.516 -1.912 0.18 0.00 C ATOM 739 CD2 PHE A 48 11.517 -2.710 -4.153 0.39 0.00 C ATOM 740 CE1 PHE A 48 11.917 -2.327 -1.450 0.10 0.00 C ATOM 741 CE2 PHE A 48 12.056 -1.520 -3.697 0.70 0.00 C ATOM 742 CZ PHE A 48 12.255 -1.330 -2.344 0.55 0.00 C ATOM 0 H PHE A 48 12.506 -4.951 -5.557 0.07 0.00 H new ATOM 0 HA PHE A 48 12.001 -6.478 -3.083 0.17 0.00 H new ATOM 0 HB2 PHE A 48 10.041 -4.811 -4.694 0.32 0.00 H new ATOM 0 HB3 PHE A 48 9.865 -5.376 -3.044 0.32 0.00 H new ATOM 0 HD1 PHE A 48 11.118 -4.293 -1.209 0.18 0.00 H new ATOM 0 HD2 PHE A 48 11.361 -2.854 -5.212 0.39 0.00 H new ATOM 0 HE1 PHE A 48 12.072 -2.179 -0.391 0.10 0.00 H new ATOM 0 HE2 PHE A 48 12.320 -0.742 -4.398 0.70 0.00 H new ATOM 0 HZ PHE A 48 12.675 -0.402 -1.985 0.55 0.00 H new ATOM 752 N GLU A 49 11.391 -7.425 -6.054 0.63 0.00 N ATOM 753 CA GLU A 49 10.845 -8.482 -6.898 0.23 0.00 C ATOM 754 C GLU A 49 11.194 -9.864 -6.345 0.69 0.00 C ATOM 755 O GLU A 49 10.544 -10.855 -6.673 0.15 0.00 O ATOM 756 CB GLU A 49 11.366 -8.335 -8.333 0.16 0.00 C ATOM 757 CG GLU A 49 12.803 -8.802 -8.528 0.33 0.00 C ATOM 758 CD GLU A 49 12.903 -10.290 -8.810 0.42 0.00 C ATOM 759 OE1 GLU A 49 12.524 -10.710 -9.923 0.23 0.00 O ATOM 760 OE2 GLU A 49 13.362 -11.034 -7.918 0.14 0.00 O ATOM 0 H GLU A 49 12.100 -6.848 -6.507 0.63 0.00 H new ATOM 0 HA GLU A 49 9.759 -8.386 -6.903 0.23 0.00 H new ATOM 0 HB2 GLU A 49 10.718 -8.901 -9.002 0.16 0.00 H new ATOM 0 HB3 GLU A 49 11.293 -7.288 -8.628 0.16 0.00 H new ATOM 0 HG2 GLU A 49 13.251 -8.249 -9.354 0.33 0.00 H new ATOM 0 HG3 GLU A 49 13.382 -8.566 -7.635 0.33 0.00 H new ATOM 767 N ASP A 50 12.223 -9.917 -5.504 0.85 0.00 N ATOM 768 CA ASP A 50 12.664 -11.178 -4.911 1.00 0.00 C ATOM 769 C ASP A 50 11.766 -11.587 -3.747 0.38 0.00 C ATOM 770 O ASP A 50 11.564 -12.777 -3.498 0.27 0.00 O ATOM 771 CB ASP A 50 14.111 -11.061 -4.429 0.61 0.00 C ATOM 772 CG ASP A 50 15.061 -10.650 -5.535 1.00 0.00 C ATOM 773 OD1 ASP A 50 15.191 -9.434 -5.785 0.10 0.00 O ATOM 774 OD2 ASP A 50 15.680 -11.545 -6.150 0.47 0.00 O ATOM 0 H ASP A 50 12.767 -9.103 -5.217 0.85 0.00 H new ATOM 0 HA ASP A 50 12.600 -11.947 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.163 -10.332 -3.620 0.61 0.00 H new ATOM 0 HB3 ASP A 50 14.431 -12.018 -4.017 0.61 0.00 H new ATOM 779 N GLY A 51 11.233 -10.599 -3.035 0.08 0.00 N ATOM 780 CA GLY A 51 10.371 -10.887 -1.903 0.09 0.00 C ATOM 781 C GLY A 51 8.943 -10.425 -2.119 0.33 0.00 C ATOM 782 O GLY A 51 8.572 -10.024 -3.223 0.24 0.00 O ATOM 0 H GLY A 51 11.382 -9.607 -3.221 0.08 0.00 H new ATOM 0 HA2 GLY A 51 10.376 -11.960 -1.712 0.09 0.00 H new ATOM 0 HA3 GLY A 51 10.774 -10.403 -1.013 0.09 0.00 H new ATOM 786 N THR A 52 8.142 -10.487 -1.061 0.10 0.00 N ATOM 787 CA THR A 52 6.744 -10.077 -1.128 0.10 0.00 C ATOM 788 C THR A 52 6.362 -9.232 0.082 1.00 0.00 C ATOM 789 O THR A 52 6.968 -9.345 1.148 0.18 0.00 O ATOM 790 CB THR A 52 5.806 -11.296 -1.208 1.00 0.00 C ATOM 791 OG1 THR A 52 6.032 -12.165 -0.093 0.59 0.00 O ATOM 792 CG2 THR A 52 6.024 -12.059 -2.505 0.14 0.00 C ATOM 0 H THR A 52 8.438 -10.819 -0.143 0.10 0.00 H new ATOM 0 HA THR A 52 6.630 -9.481 -2.034 0.10 0.00 H new ATOM 0 HB THR A 52 4.777 -10.937 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.430 -12.936 -0.152 0.59 0.00 H new ATOM 0 HG21 THR A 52 5.351 -12.916 -2.541 0.14 0.00 H new ATOM 0 HG22 THR A 52 5.821 -11.403 -3.352 0.14 0.00 H new ATOM 0 HG23 THR A 52 7.056 -12.406 -2.554 0.14 0.00 H new ATOM 800 N PHE A 53 5.352 -8.382 -0.090 1.00 0.00 N ATOM 801 CA PHE A 53 4.891 -7.516 0.989 0.41 0.00 C ATOM 802 C PHE A 53 3.382 -7.634 1.182 0.10 0.00 C ATOM 803 O PHE A 53 2.655 -8.011 0.262 1.00 0.00 O ATOM 804 CB PHE A 53 5.259 -6.059 0.697 1.00 0.00 C ATOM 805 CG PHE A 53 6.738 -5.788 0.741 0.20 0.00 C ATOM 806 CD1 PHE A 53 7.549 -6.113 -0.334 0.37 0.00 C ATOM 807 CD2 PHE A 53 7.314 -5.205 1.858 0.16 0.00 C ATOM 808 CE1 PHE A 53 8.907 -5.863 -0.295 0.67 0.00 C ATOM 809 CE2 PHE A 53 8.673 -4.952 1.902 0.05 0.00 C ATOM 810 CZ PHE A 53 9.470 -5.282 0.823 0.05 0.00 C ATOM 0 H PHE A 53 4.839 -8.276 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 53 5.384 -7.836 1.907 0.41 0.00 H new ATOM 0 HB2 PHE A 53 4.878 -5.788 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.759 -5.415 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.115 -6.567 -1.212 0.37 0.00 H new ATOM 0 HD2 PHE A 53 6.695 -4.945 2.704 0.16 0.00 H new ATOM 0 HE1 PHE A 53 9.528 -6.122 -1.140 0.67 0.00 H new ATOM 0 HE2 PHE A 53 9.110 -4.497 2.778 0.05 0.00 H new ATOM 0 HZ PHE A 53 10.532 -5.086 0.854 0.05 0.00 H new ATOM 820 N LYS A 54 2.921 -7.310 2.385 0.57 0.00 N ATOM 821 CA LYS A 54 1.502 -7.373 2.707 1.00 0.00 C ATOM 822 C LYS A 54 1.071 -6.129 3.477 1.00 0.00 C ATOM 823 O LYS A 54 1.825 -5.607 4.299 0.09 0.00 O ATOM 824 CB LYS A 54 1.196 -8.628 3.527 0.60 0.00 C ATOM 825 CG LYS A 54 1.490 -9.924 2.789 0.07 0.00 C ATOM 826 CD LYS A 54 1.182 -11.142 3.647 0.07 0.00 C ATOM 827 CE LYS A 54 2.126 -11.245 4.835 1.00 0.00 C ATOM 828 NZ LYS A 54 1.842 -12.447 5.665 0.41 0.00 N ATOM 0 H LYS A 54 3.513 -7.000 3.156 0.57 0.00 H new ATOM 0 HA LYS A 54 0.942 -7.417 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.781 -8.603 4.446 0.60 0.00 H new ATOM 0 HB3 LYS A 54 0.145 -8.615 3.817 0.60 0.00 H new ATOM 0 HG2 LYS A 54 0.899 -9.964 1.874 0.07 0.00 H new ATOM 0 HG3 LYS A 54 2.539 -9.944 2.492 0.07 0.00 H new ATOM 0 HD2 LYS A 54 0.153 -11.086 4.003 0.07 0.00 H new ATOM 0 HD3 LYS A 54 1.260 -12.044 3.040 0.07 0.00 H new ATOM 0 HE2 LYS A 54 3.155 -11.284 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.036 -10.349 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.506 -12.482 6.464 0.41 0.00 H new ATOM 0 HZ2 LYS A 54 0.868 -12.397 6.026 0.41 0.00 H new ATOM 0 HZ3 LYS A 54 1.953 -13.303 5.085 0.41 0.00 H new ATOM 842 N LEU A 55 -0.142 -5.660 3.207 0.89 0.00 N ATOM 843 CA LEU A 55 -0.665 -4.473 3.874 1.00 0.00 C ATOM 844 C LEU A 55 -2.173 -4.583 4.085 0.75 0.00 C ATOM 845 O LEU A 55 -2.840 -5.407 3.458 1.00 0.00 O ATOM 846 CB LEU A 55 -0.313 -3.201 3.078 0.08 0.00 C ATOM 847 CG LEU A 55 -0.999 -3.012 1.709 0.51 0.00 C ATOM 848 CD1 LEU A 55 -1.043 -4.309 0.910 0.11 0.00 C ATOM 849 CD2 LEU A 55 -2.397 -2.436 1.877 0.11 0.00 C ATOM 0 H LEU A 55 -0.780 -6.082 2.533 0.89 0.00 H new ATOM 0 HA LEU A 55 -0.195 -4.402 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.553 -2.337 3.698 0.08 0.00 H new ATOM 0 HB3 LEU A 55 0.765 -3.189 2.920 0.08 0.00 H new ATOM 0 HG LEU A 55 -0.397 -2.301 1.143 0.51 0.00 H new ATOM 0 HD11 LEU A 55 -1.534 -4.131 -0.047 0.11 0.00 H new ATOM 0 HD12 LEU A 55 -0.027 -4.664 0.736 0.11 0.00 H new ATOM 0 HD13 LEU A 55 -1.599 -5.062 1.469 0.11 0.00 H new ATOM 0 HD21 LEU A 55 -2.860 -2.312 0.898 0.11 0.00 H new ATOM 0 HD22 LEU A 55 -3.000 -3.115 2.480 0.11 0.00 H new ATOM 0 HD23 LEU A 55 -2.334 -1.468 2.374 0.11 0.00 H new ATOM 861 N VAL A 56 -2.702 -3.745 4.973 1.00 0.00 N ATOM 862 CA VAL A 56 -4.131 -3.746 5.273 1.00 0.00 C ATOM 863 C VAL A 56 -4.749 -2.375 5.016 0.59 0.00 C ATOM 864 O VAL A 56 -4.104 -1.345 5.212 0.17 0.00 O ATOM 865 CB VAL A 56 -4.387 -4.149 6.740 0.11 0.00 C ATOM 866 CG1 VAL A 56 -3.728 -3.162 7.690 0.40 0.00 C ATOM 867 CG2 VAL A 56 -5.879 -4.254 7.020 1.00 0.00 C ATOM 0 H VAL A 56 -2.162 -3.056 5.497 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.598 -4.477 4.612 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.943 -5.130 6.906 0.11 0.00 H new ATOM 0 HG11 VAL A 56 -3.920 -3.464 8.719 0.40 0.00 H new ATOM 0 HG12 VAL A 56 -2.653 -3.147 7.511 0.40 0.00 H new ATOM 0 HG13 VAL A 56 -4.138 -2.166 7.522 0.40 0.00 H new ATOM 0 HG21 VAL A 56 -6.035 -4.539 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.353 -3.290 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.320 -5.008 6.367 1.00 0.00 H new ATOM 877 N ILE A 57 -6.005 -2.368 4.574 0.36 0.00 N ATOM 878 CA ILE A 57 -6.709 -1.123 4.294 0.39 0.00 C ATOM 879 C ILE A 57 -7.951 -0.988 5.170 1.00 0.00 C ATOM 880 O ILE A 57 -8.926 -1.721 4.999 0.68 0.00 O ATOM 881 CB ILE A 57 -7.134 -1.024 2.815 0.50 0.00 C ATOM 882 CG1 ILE A 57 -5.954 -1.336 1.892 0.78 0.00 C ATOM 883 CG2 ILE A 57 -7.690 0.360 2.518 0.39 0.00 C ATOM 884 CD1 ILE A 57 -5.795 -2.810 1.590 1.00 0.00 C ATOM 0 H ILE A 57 -6.554 -3.211 4.403 0.36 0.00 H new ATOM 0 HA ILE A 57 -6.011 -0.316 4.516 0.39 0.00 H new ATOM 0 HB ILE A 57 -7.916 -1.761 2.631 0.50 0.00 H new ATOM 0 HG12 ILE A 57 -6.083 -0.794 0.955 0.78 0.00 H new ATOM 0 HG13 ILE A 57 -5.037 -0.967 2.351 0.78 0.00 H new ATOM 0 HG21 ILE A 57 -7.986 0.416 1.470 0.39 0.00 H new ATOM 0 HG22 ILE A 57 -8.558 0.547 3.151 0.39 0.00 H new ATOM 0 HG23 ILE A 57 -6.925 1.110 2.719 0.39 0.00 H new ATOM 0 HD11 ILE A 57 -4.939 -2.956 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.634 -3.357 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.696 -3.181 1.102 1.00 0.00 H new ATOM 896 N GLU A 58 -7.908 -0.046 6.107 0.28 0.00 N ATOM 897 CA GLU A 58 -9.030 0.185 7.009 0.51 0.00 C ATOM 898 C GLU A 58 -9.866 1.373 6.543 0.13 0.00 C ATOM 899 O GLU A 58 -9.346 2.473 6.352 0.33 0.00 O ATOM 900 CB GLU A 58 -8.523 0.427 8.431 0.20 0.00 C ATOM 901 CG GLU A 58 -9.637 0.609 9.450 1.00 0.00 C ATOM 902 CD GLU A 58 -9.112 0.748 10.865 0.97 0.00 C ATOM 903 OE1 GLU A 58 -8.837 1.891 11.287 0.12 0.00 O ATOM 904 OE2 GLU A 58 -8.975 -0.288 11.550 1.00 0.00 O ATOM 0 H GLU A 58 -7.109 0.569 6.261 0.28 0.00 H new ATOM 0 HA GLU A 58 -9.661 -0.704 7.002 0.51 0.00 H new ATOM 0 HB2 GLU A 58 -7.899 -0.414 8.733 0.20 0.00 H new ATOM 0 HB3 GLU A 58 -7.889 1.313 8.436 0.20 0.00 H new ATOM 0 HG2 GLU A 58 -10.219 1.494 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.314 -0.243 9.399 1.00 0.00 H new ATOM 911 N PHE A 59 -11.163 1.143 6.364 0.22 0.00 N ATOM 912 CA PHE A 59 -12.075 2.193 5.922 1.00 0.00 C ATOM 913 C PHE A 59 -12.881 2.740 7.097 0.29 0.00 C ATOM 914 O PHE A 59 -13.075 2.056 8.100 0.78 0.00 O ATOM 915 CB PHE A 59 -13.023 1.656 4.848 0.18 0.00 C ATOM 916 CG PHE A 59 -12.315 1.069 3.660 1.00 0.00 C ATOM 917 CD1 PHE A 59 -11.957 1.867 2.585 1.00 0.00 C ATOM 918 CD2 PHE A 59 -12.012 -0.283 3.616 0.16 0.00 C ATOM 919 CE1 PHE A 59 -11.309 1.328 1.490 0.20 0.00 C ATOM 920 CE2 PHE A 59 -11.364 -0.827 2.523 0.08 0.00 C ATOM 921 CZ PHE A 59 -11.012 -0.020 1.459 0.98 0.00 C ATOM 0 H PHE A 59 -11.607 0.238 6.518 0.22 0.00 H new ATOM 0 HA PHE A 59 -11.480 3.003 5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.666 0.895 5.290 0.18 0.00 H new ATOM 0 HB3 PHE A 59 -13.672 2.464 4.511 0.18 0.00 H new ATOM 0 HD1 PHE A 59 -12.187 2.922 2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.285 -0.919 4.445 0.16 0.00 H new ATOM 0 HE1 PHE A 59 -11.035 1.961 0.659 0.20 0.00 H new ATOM 0 HE2 PHE A 59 -11.133 -1.882 2.501 0.08 0.00 H new ATOM 0 HZ PHE A 59 -10.505 -0.443 0.604 0.98 0.00 H new ATOM 931 N SER A 60 -13.351 3.978 6.964 0.36 0.00 N ATOM 932 CA SER A 60 -14.139 4.612 8.012 0.10 0.00 C ATOM 933 C SER A 60 -15.613 4.658 7.627 1.00 0.00 C ATOM 934 O SER A 60 -15.955 4.827 6.457 0.30 0.00 O ATOM 935 CB SER A 60 -13.625 6.028 8.281 0.70 0.00 C ATOM 936 OG SER A 60 -13.706 6.832 7.118 0.12 0.00 O ATOM 0 H SER A 60 -13.199 4.560 6.140 0.36 0.00 H new ATOM 0 HA SER A 60 -14.036 4.019 8.920 0.10 0.00 H new ATOM 0 HB2 SER A 60 -14.207 6.483 9.082 0.70 0.00 H new ATOM 0 HB3 SER A 60 -12.591 5.983 8.624 0.70 0.00 H new ATOM 0 HG SER A 60 -13.373 7.732 7.318 0.12 0.00 H new ATOM 942 N GLU A 61 -16.484 4.508 8.621 0.34 0.00 N ATOM 943 CA GLU A 61 -17.924 4.533 8.387 1.00 0.00 C ATOM 944 C GLU A 61 -18.417 5.962 8.184 1.00 0.00 C ATOM 945 O GLU A 61 -19.617 6.205 8.062 0.11 0.00 O ATOM 946 CB GLU A 61 -18.662 3.885 9.561 1.00 0.00 C ATOM 947 CG GLU A 61 -18.347 4.524 10.904 0.31 0.00 C ATOM 948 CD GLU A 61 -19.105 3.885 12.050 0.05 0.00 C ATOM 949 OE1 GLU A 61 -18.673 2.811 12.522 0.25 0.00 O ATOM 950 OE2 GLU A 61 -20.133 4.454 12.475 0.80 0.00 O ATOM 0 H GLU A 61 -16.218 4.368 9.596 0.34 0.00 H new ATOM 0 HA GLU A 61 -18.131 3.966 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -19.736 3.945 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.404 2.827 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.277 4.448 11.095 0.31 0.00 H new ATOM 0 HG3 GLU A 61 -18.589 5.586 10.862 0.31 0.00 H new ATOM 957 N GLU A 62 -17.479 6.902 8.146 0.06 0.00 N ATOM 958 CA GLU A 62 -17.811 8.309 7.956 0.21 0.00 C ATOM 959 C GLU A 62 -18.419 8.544 6.576 0.05 0.00 C ATOM 960 O GLU A 62 -19.640 8.595 6.426 1.00 0.00 O ATOM 961 CB GLU A 62 -16.558 9.172 8.135 0.56 0.00 C ATOM 962 CG GLU A 62 -15.962 9.095 9.533 0.72 0.00 C ATOM 963 CD GLU A 62 -14.691 9.908 9.670 1.00 0.00 C ATOM 964 OE1 GLU A 62 -13.614 9.394 9.301 0.39 0.00 O ATOM 965 OE2 GLU A 62 -14.771 11.059 10.149 0.20 0.00 O ATOM 0 H GLU A 62 -16.481 6.715 8.244 0.06 0.00 H new ATOM 0 HA GLU A 62 -18.550 8.592 8.706 0.21 0.00 H new ATOM 0 HB2 GLU A 62 -15.806 8.861 7.410 0.56 0.00 H new ATOM 0 HB3 GLU A 62 -16.806 10.210 7.911 0.56 0.00 H new ATOM 0 HG2 GLU A 62 -16.696 9.450 10.257 0.72 0.00 H new ATOM 0 HG3 GLU A 62 -15.751 8.054 9.777 0.72 0.00 H new ATOM 972 N TYR A 63 -17.559 8.682 5.572 1.00 0.00 N ATOM 973 CA TYR A 63 -18.006 8.910 4.203 0.06 0.00 C ATOM 974 C TYR A 63 -17.061 8.231 3.211 0.19 0.00 C ATOM 975 O TYR A 63 -15.888 8.017 3.516 0.36 0.00 O ATOM 976 CB TYR A 63 -18.079 10.411 3.907 1.00 0.00 C ATOM 977 CG TYR A 63 -19.114 11.145 4.731 1.00 0.00 C ATOM 978 CD1 TYR A 63 -20.453 11.140 4.363 0.43 0.00 C ATOM 979 CD2 TYR A 63 -18.751 11.843 5.876 0.36 0.00 C ATOM 980 CE1 TYR A 63 -21.401 11.810 5.111 0.06 0.00 C ATOM 981 CE2 TYR A 63 -19.693 12.515 6.631 1.00 0.00 C ATOM 982 CZ TYR A 63 -21.018 12.496 6.244 1.00 0.00 C ATOM 983 OH TYR A 63 -21.960 13.162 6.992 0.12 0.00 O ATOM 0 H TYR A 63 -16.546 8.640 5.682 1.00 0.00 H new ATOM 0 HA TYR A 63 -19.001 8.479 4.093 0.06 0.00 H new ATOM 0 HB2 TYR A 63 -17.101 10.856 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -18.302 10.553 2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -20.758 10.603 3.477 0.43 0.00 H new ATOM 0 HD2 TYR A 63 -17.715 11.861 6.181 0.36 0.00 H new ATOM 0 HE1 TYR A 63 -22.438 11.797 4.810 0.06 0.00 H new ATOM 0 HE2 TYR A 63 -19.394 13.052 7.519 1.00 0.00 H new ATOM 0 HH TYR A 63 -21.525 13.593 7.757 0.12 0.00 H new ATOM 993 N PRO A 64 -17.557 7.879 2.009 0.81 0.00 N ATOM 994 CA PRO A 64 -16.736 7.226 0.984 1.00 0.00 C ATOM 995 C PRO A 64 -15.760 8.190 0.319 0.19 0.00 C ATOM 996 O PRO A 64 -15.135 7.859 -0.690 0.47 0.00 O ATOM 997 CB PRO A 64 -17.768 6.720 -0.023 1.00 0.00 C ATOM 998 CG PRO A 64 -18.918 7.658 0.111 0.22 0.00 C ATOM 999 CD PRO A 64 -18.948 8.084 1.555 0.09 0.00 C ATOM 0 HA PRO A 64 -16.109 6.439 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.368 6.726 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.066 5.695 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.796 8.519 -0.546 0.22 0.00 H new ATOM 0 HG3 PRO A 64 -19.852 7.171 -0.171 0.22 0.00 H new ATOM 0 HD2 PRO A 64 -19.254 9.125 1.659 0.09 0.00 H new ATOM 0 HD3 PRO A 64 -19.651 7.486 2.135 0.09 0.00 H new ATOM 1007 N ASN A 65 -15.634 9.386 0.889 0.06 0.00 N ATOM 1008 CA ASN A 65 -14.733 10.401 0.354 1.00 0.00 C ATOM 1009 C ASN A 65 -13.673 10.782 1.384 0.06 0.00 C ATOM 1010 O ASN A 65 -12.671 11.416 1.052 0.99 0.00 O ATOM 1011 CB ASN A 65 -15.521 11.641 -0.072 1.00 0.00 C ATOM 1012 CG ASN A 65 -16.478 12.118 1.004 0.09 0.00 C ATOM 1013 OD1 ASN A 65 -17.646 11.729 1.028 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -15.987 12.963 1.902 0.83 0.00 N ATOM 0 H ASN A 65 -16.146 9.675 1.723 0.06 0.00 H new ATOM 0 HA ASN A 65 -14.231 9.984 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.825 12.444 -0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.082 11.417 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.584 13.316 2.650 0.83 0.00 H new ATOM 0 HD22 ASN A 65 -15.013 13.259 1.844 0.83 0.00 H new ATOM 1021 N LYS A 66 -13.903 10.392 2.635 0.38 0.00 N ATOM 1022 CA LYS A 66 -12.966 10.687 3.715 0.40 0.00 C ATOM 1023 C LYS A 66 -11.627 9.986 3.477 0.67 0.00 C ATOM 1024 O LYS A 66 -11.579 8.934 2.843 0.20 0.00 O ATOM 1025 CB LYS A 66 -13.554 10.253 5.060 1.00 0.00 C ATOM 1026 CG LYS A 66 -14.675 11.154 5.554 1.00 0.00 C ATOM 1027 CD LYS A 66 -14.160 12.529 5.950 0.21 0.00 C ATOM 1028 CE LYS A 66 -13.277 12.462 7.187 0.23 0.00 C ATOM 1029 NZ LYS A 66 -12.757 13.803 7.573 0.78 0.00 N ATOM 0 H LYS A 66 -14.730 9.871 2.926 0.38 0.00 H new ATOM 0 HA LYS A 66 -12.794 11.763 3.734 0.40 0.00 H new ATOM 0 HB2 LYS A 66 -13.931 9.234 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.759 10.234 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.428 11.259 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.165 10.689 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.596 12.959 5.122 0.21 0.00 H new ATOM 0 HD3 LYS A 66 -15.003 13.193 6.140 0.21 0.00 H new ATOM 0 HE2 LYS A 66 -13.846 12.041 8.016 0.23 0.00 H new ATOM 0 HE3 LYS A 66 -12.441 11.789 7.000 0.23 0.00 H new ATOM 0 HZ1 LYS A 66 -12.160 13.713 8.420 0.78 0.00 H new ATOM 0 HZ2 LYS A 66 -12.193 14.195 6.792 0.78 0.00 H new ATOM 0 HZ3 LYS A 66 -13.554 14.439 7.777 0.78 0.00 H new ATOM 1043 N PRO A 67 -10.521 10.565 3.987 0.28 0.00 N ATOM 1044 CA PRO A 67 -9.180 9.984 3.822 0.19 0.00 C ATOM 1045 C PRO A 67 -9.096 8.557 4.363 0.07 0.00 C ATOM 1046 O PRO A 67 -9.347 8.325 5.546 0.36 0.00 O ATOM 1047 CB PRO A 67 -8.280 10.916 4.638 0.06 0.00 C ATOM 1048 CG PRO A 67 -9.033 12.199 4.725 1.00 0.00 C ATOM 1049 CD PRO A 67 -10.485 11.820 4.758 0.09 0.00 C ATOM 0 HA PRO A 67 -8.897 9.910 2.772 0.19 0.00 H new ATOM 0 HB2 PRO A 67 -8.082 10.506 5.629 0.06 0.00 H new ATOM 0 HB3 PRO A 67 -7.314 11.057 4.153 0.06 0.00 H new ATOM 0 HG2 PRO A 67 -8.754 12.756 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.815 12.839 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.841 11.677 5.778 0.09 0.00 H new ATOM 0 HD3 PRO A 67 -11.112 12.588 4.307 0.09 0.00 H new ATOM 1057 N PRO A 68 -8.741 7.576 3.508 0.75 0.00 N ATOM 1058 CA PRO A 68 -8.630 6.175 3.924 0.29 0.00 C ATOM 1059 C PRO A 68 -7.432 5.931 4.838 0.35 0.00 C ATOM 1060 O PRO A 68 -6.705 6.860 5.188 0.24 0.00 O ATOM 1061 CB PRO A 68 -8.459 5.422 2.603 1.00 0.00 C ATOM 1062 CG PRO A 68 -7.861 6.419 1.673 0.37 0.00 C ATOM 1063 CD PRO A 68 -8.428 7.752 2.076 0.07 0.00 C ATOM 0 HA PRO A 68 -9.496 5.854 4.503 0.29 0.00 H new ATOM 0 HB2 PRO A 68 -7.811 4.554 2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.415 5.056 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.774 6.419 1.747 0.37 0.00 H new ATOM 0 HG3 PRO A 68 -8.110 6.186 0.638 0.37 0.00 H new ATOM 0 HD2 PRO A 68 -7.711 8.557 1.918 0.07 0.00 H new ATOM 0 HD3 PRO A 68 -9.318 8.000 1.498 0.07 0.00 H new ATOM 1071 N THR A 69 -7.235 4.673 5.219 0.81 0.00 N ATOM 1072 CA THR A 69 -6.131 4.295 6.094 1.00 0.00 C ATOM 1073 C THR A 69 -5.385 3.097 5.522 0.09 0.00 C ATOM 1074 O THR A 69 -5.930 1.996 5.442 0.24 0.00 O ATOM 1075 CB THR A 69 -6.626 3.956 7.513 0.09 0.00 C ATOM 1076 OG1 THR A 69 -7.333 5.072 8.066 0.51 0.00 O ATOM 1077 CG2 THR A 69 -5.461 3.589 8.424 1.00 0.00 C ATOM 0 H THR A 69 -7.829 3.894 4.934 0.81 0.00 H new ATOM 0 HA THR A 69 -5.458 5.150 6.156 1.00 0.00 H new ATOM 0 HB THR A 69 -7.295 3.099 7.442 0.09 0.00 H new ATOM 0 HG1 THR A 69 -7.646 4.847 8.967 0.51 0.00 H new ATOM 0 HG21 THR A 69 -5.838 3.354 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.941 2.721 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.769 4.429 8.487 1.00 0.00 H new ATOM 1085 N VAL A 70 -4.138 3.316 5.126 0.14 0.00 N ATOM 1086 CA VAL A 70 -3.326 2.252 4.552 0.80 0.00 C ATOM 1087 C VAL A 70 -1.939 2.209 5.184 1.00 0.00 C ATOM 1088 O VAL A 70 -1.292 3.241 5.358 0.25 0.00 O ATOM 1089 CB VAL A 70 -3.183 2.431 3.028 0.18 0.00 C ATOM 1090 CG1 VAL A 70 -2.316 1.331 2.433 0.09 0.00 C ATOM 1091 CG2 VAL A 70 -4.550 2.455 2.364 1.00 0.00 C ATOM 0 H VAL A 70 -3.668 4.219 5.192 0.14 0.00 H new ATOM 0 HA VAL A 70 -3.837 1.312 4.759 0.80 0.00 H new ATOM 0 HB VAL A 70 -2.693 3.386 2.841 0.18 0.00 H new ATOM 0 HG11 VAL A 70 -2.229 1.478 1.356 0.09 0.00 H new ATOM 0 HG12 VAL A 70 -1.325 1.365 2.885 0.09 0.00 H new ATOM 0 HG13 VAL A 70 -2.772 0.361 2.631 0.09 0.00 H new ATOM 0 HG21 VAL A 70 -4.430 2.582 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.068 1.517 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.134 3.284 2.764 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.491 1.003 5.526 0.22 0.00 N ATOM 1102 CA ARG A 71 -0.181 0.815 6.139 1.00 0.00 C ATOM 1103 C ARG A 71 0.214 -0.659 6.134 0.22 0.00 C ATOM 1104 O ARG A 71 -0.597 -1.530 6.450 0.17 0.00 O ATOM 1105 CB ARG A 71 -0.182 1.352 7.573 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.278 0.761 8.445 0.06 0.00 C ATOM 1107 CD ARG A 71 -1.217 1.306 9.863 0.19 0.00 C ATOM 1108 NE ARG A 71 0.034 0.953 10.533 0.61 0.00 N ATOM 1109 CZ ARG A 71 0.267 1.175 11.822 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.663 1.740 12.582 0.05 0.00 N ATOM 1111 NH2 ARG A 71 1.432 0.831 12.354 1.00 0.00 N ATOM 0 H ARG A 71 -2.018 0.141 5.388 0.22 0.00 H new ATOM 0 HA ARG A 71 0.551 1.371 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.786 1.145 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.296 2.436 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.252 0.986 8.009 0.06 0.00 H new ATOM 0 HG3 ARG A 71 -1.181 -0.324 8.467 0.06 0.00 H new ATOM 0 HD2 ARG A 71 -1.322 2.391 9.839 0.19 0.00 H new ATOM 0 HD3 ARG A 71 -2.058 0.917 10.437 0.19 0.00 H new ATOM 0 HE ARG A 71 0.769 0.512 9.980 0.61 0.00 H new ATOM 0 HH11 ARG A 71 -1.561 2.005 12.177 0.05 0.00 H new ATOM 0 HH12 ARG A 71 -0.480 1.909 13.571 0.05 0.00 H new ATOM 0 HH21 ARG A 71 2.149 0.396 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.611 1.001 13.344 1.00 0.00 H new ATOM 1125 N PHE A 72 1.465 -0.931 5.772 0.51 0.00 N ATOM 1126 CA PHE A 72 1.970 -2.299 5.727 0.16 0.00 C ATOM 1127 C PHE A 72 2.022 -2.908 7.126 0.11 0.00 C ATOM 1128 O PHE A 72 2.518 -2.287 8.065 0.19 0.00 O ATOM 1129 CB PHE A 72 3.363 -2.334 5.092 0.15 0.00 C ATOM 1130 CG PHE A 72 3.353 -2.129 3.603 0.33 0.00 C ATOM 1131 CD1 PHE A 72 3.027 -0.896 3.059 1.00 0.00 C ATOM 1132 CD2 PHE A 72 3.675 -3.170 2.748 0.31 0.00 C ATOM 1133 CE1 PHE A 72 3.021 -0.706 1.691 0.13 0.00 C ATOM 1134 CE2 PHE A 72 3.671 -2.985 1.377 0.24 0.00 C ATOM 1135 CZ PHE A 72 3.344 -1.751 0.848 1.00 0.00 C ATOM 0 H PHE A 72 2.147 -0.221 5.506 0.51 0.00 H new ATOM 0 HA PHE A 72 1.286 -2.890 5.117 0.16 0.00 H new ATOM 0 HB2 PHE A 72 3.982 -1.563 5.552 0.15 0.00 H new ATOM 0 HB3 PHE A 72 3.830 -3.293 5.315 0.15 0.00 H new ATOM 0 HD1 PHE A 72 2.775 -0.074 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.932 -4.136 3.156 0.31 0.00 H new ATOM 0 HE1 PHE A 72 2.764 0.259 1.281 0.13 0.00 H new ATOM 0 HE2 PHE A 72 3.923 -3.805 0.720 0.24 0.00 H new ATOM 0 HZ PHE A 72 3.341 -1.604 -0.222 1.00 0.00 H new ATOM 1145 N LEU A 73 1.508 -4.127 7.254 0.09 0.00 N ATOM 1146 CA LEU A 73 1.494 -4.823 8.537 1.00 0.00 C ATOM 1147 C LEU A 73 2.908 -5.203 8.964 1.00 0.00 C ATOM 1148 O LEU A 73 3.218 -5.243 10.156 0.28 0.00 O ATOM 1149 CB LEU A 73 0.624 -6.078 8.454 0.08 0.00 C ATOM 1150 CG LEU A 73 -0.870 -5.824 8.239 1.00 0.00 C ATOM 1151 CD1 LEU A 73 -1.607 -7.135 8.013 0.08 0.00 C ATOM 1152 CD2 LEU A 73 -1.460 -5.078 9.427 0.44 0.00 C ATOM 0 H LEU A 73 1.095 -4.654 6.485 0.09 0.00 H new ATOM 0 HA LEU A 73 1.075 -4.147 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.991 -6.701 7.639 0.08 0.00 H new ATOM 0 HB3 LEU A 73 0.750 -6.649 9.374 0.08 0.00 H new ATOM 0 HG LEU A 73 -0.989 -5.205 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.668 -6.935 7.862 0.08 0.00 H new ATOM 0 HD12 LEU A 73 -1.203 -7.632 7.131 0.08 0.00 H new ATOM 0 HD13 LEU A 73 -1.480 -7.779 8.883 0.08 0.00 H new ATOM 0 HD21 LEU A 73 -2.523 -4.906 9.257 0.44 0.00 H new ATOM 0 HD22 LEU A 73 -1.329 -5.672 10.331 0.44 0.00 H new ATOM 0 HD23 LEU A 73 -0.952 -4.121 9.545 0.44 0.00 H new ATOM 1164 N SER A 74 3.762 -5.479 7.985 0.06 0.00 N ATOM 1165 CA SER A 74 5.145 -5.856 8.262 1.00 0.00 C ATOM 1166 C SER A 74 6.070 -4.646 8.176 1.00 0.00 C ATOM 1167 O SER A 74 5.767 -3.668 7.493 1.00 0.00 O ATOM 1168 CB SER A 74 5.606 -6.934 7.280 0.33 0.00 C ATOM 1169 OG SER A 74 6.940 -7.330 7.547 0.84 0.00 O ATOM 0 H SER A 74 3.523 -5.449 6.994 0.06 0.00 H new ATOM 0 HA SER A 74 5.190 -6.252 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.946 -7.799 7.348 0.33 0.00 H new ATOM 0 HB3 SER A 74 5.533 -6.557 6.260 0.33 0.00 H new ATOM 0 HG SER A 74 7.210 -8.021 6.907 0.84 0.00 H new ATOM 1175 N LYS A 75 7.200 -4.720 8.877 0.26 0.00 N ATOM 1176 CA LYS A 75 8.174 -3.631 8.878 0.18 0.00 C ATOM 1177 C LYS A 75 8.671 -3.352 7.463 0.42 0.00 C ATOM 1178 O LYS A 75 8.714 -4.252 6.623 1.00 0.00 O ATOM 1179 CB LYS A 75 9.357 -3.977 9.785 0.20 0.00 C ATOM 1180 CG LYS A 75 8.997 -4.038 11.260 0.14 0.00 C ATOM 1181 CD LYS A 75 8.524 -2.686 11.771 0.50 0.00 C ATOM 1182 CE LYS A 75 8.122 -2.752 13.234 0.15 0.00 C ATOM 1183 NZ LYS A 75 9.281 -3.071 14.114 0.98 0.00 N ATOM 0 H LYS A 75 7.463 -5.521 9.451 0.26 0.00 H new ATOM 0 HA LYS A 75 7.683 -2.735 9.259 0.18 0.00 H new ATOM 0 HB2 LYS A 75 9.768 -4.939 9.480 0.20 0.00 H new ATOM 0 HB3 LYS A 75 10.143 -3.235 9.642 0.20 0.00 H new ATOM 0 HG2 LYS A 75 8.215 -4.781 11.415 0.14 0.00 H new ATOM 0 HG3 LYS A 75 9.864 -4.363 11.835 0.14 0.00 H new ATOM 0 HD2 LYS A 75 9.318 -1.950 11.644 0.50 0.00 H new ATOM 0 HD3 LYS A 75 7.677 -2.347 11.175 0.50 0.00 H new ATOM 0 HE2 LYS A 75 7.689 -1.798 13.535 0.15 0.00 H new ATOM 0 HE3 LYS A 75 7.348 -3.508 13.364 0.15 0.00 H new ATOM 0 HZ1 LYS A 75 9.013 -2.925 15.108 0.98 0.00 H new ATOM 0 HZ2 LYS A 75 9.561 -4.063 13.973 0.98 0.00 H new ATOM 0 HZ3 LYS A 75 10.079 -2.448 13.876 0.98 0.00 H new ATOM 1197 N MET A 76 9.045 -2.103 7.205 0.12 0.00 N ATOM 1198 CA MET A 76 9.535 -1.713 5.889 0.08 0.00 C ATOM 1199 C MET A 76 10.352 -0.428 5.960 1.00 0.00 C ATOM 1200 O MET A 76 10.270 0.323 6.933 0.16 0.00 O ATOM 1201 CB MET A 76 8.363 -1.527 4.923 0.21 0.00 C ATOM 1202 CG MET A 76 7.397 -0.433 5.346 1.00 0.00 C ATOM 1203 SD MET A 76 6.144 -0.090 4.096 1.00 0.00 S ATOM 1204 CE MET A 76 5.251 1.254 4.874 0.11 0.00 C ATOM 0 H MET A 76 9.018 -1.346 7.888 0.12 0.00 H new ATOM 0 HA MET A 76 10.183 -2.510 5.525 0.08 0.00 H new ATOM 0 HB2 MET A 76 8.753 -1.294 3.932 0.21 0.00 H new ATOM 0 HB3 MET A 76 7.819 -2.468 4.838 0.21 0.00 H new ATOM 0 HG2 MET A 76 6.907 -0.726 6.275 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.956 0.479 5.554 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.195 0.994 4.949 0.11 0.00 H new ATOM 0 HE2 MET A 76 5.653 1.429 5.872 0.11 0.00 H new ATOM 0 HE3 MET A 76 5.361 2.158 4.275 0.11 0.00 H new ATOM 1214 N PHE A 77 11.143 -0.185 4.920 0.06 0.00 N ATOM 1215 CA PHE A 77 11.978 1.010 4.847 1.00 0.00 C ATOM 1216 C PHE A 77 12.041 1.534 3.416 0.26 0.00 C ATOM 1217 O PHE A 77 12.676 0.931 2.550 0.23 0.00 O ATOM 1218 CB PHE A 77 13.387 0.714 5.361 1.00 0.00 C ATOM 1219 CG PHE A 77 13.450 0.510 6.847 1.00 0.00 C ATOM 1220 CD1 PHE A 77 13.342 1.587 7.711 0.23 0.00 C ATOM 1221 CD2 PHE A 77 13.619 -0.757 7.380 0.21 0.00 C ATOM 1222 CE1 PHE A 77 13.398 1.404 9.080 1.00 0.00 C ATOM 1223 CE2 PHE A 77 13.676 -0.947 8.748 0.22 0.00 C ATOM 1224 CZ PHE A 77 13.566 0.134 9.599 0.07 0.00 C ATOM 0 H PHE A 77 11.224 -0.803 4.112 0.06 0.00 H new ATOM 0 HA PHE A 77 11.530 1.776 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.767 -0.178 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.046 1.538 5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.212 2.582 7.310 0.23 0.00 H new ATOM 0 HD2 PHE A 77 13.707 -1.607 6.719 0.21 0.00 H new ATOM 0 HE1 PHE A 77 13.311 2.252 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 77 13.807 -1.941 9.151 0.22 0.00 H new ATOM 0 HZ PHE A 77 13.611 -0.012 10.668 0.07 0.00 H new ATOM 1234 N HIS A 78 11.378 2.660 3.179 1.00 0.00 N ATOM 1235 CA HIS A 78 11.347 3.267 1.853 0.10 0.00 C ATOM 1236 C HIS A 78 11.890 4.695 1.891 1.00 0.00 C ATOM 1237 O HIS A 78 11.936 5.316 2.954 0.41 0.00 O ATOM 1238 CB HIS A 78 9.916 3.262 1.309 1.00 0.00 C ATOM 1239 CG HIS A 78 9.384 1.889 1.040 0.65 0.00 C ATOM 1240 ND1 HIS A 78 8.500 1.232 1.867 0.11 0.00 N ATOM 1241 CD2 HIS A 78 9.627 1.044 0.006 0.31 0.00 C ATOM 1242 CE1 HIS A 78 8.241 0.034 1.322 0.06 0.00 C ATOM 1243 NE2 HIS A 78 8.900 -0.128 0.191 1.00 0.00 N ATOM 0 H HIS A 78 10.854 3.172 3.889 1.00 0.00 H new ATOM 0 HA HIS A 78 11.984 2.679 1.192 0.10 0.00 H new ATOM 0 HB2 HIS A 78 9.262 3.763 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.884 3.842 0.387 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.281 1.249 -0.829 0.31 0.00 H new ATOM 0 HE1 HIS A 78 7.579 -0.702 1.753 0.06 0.00 H new ATOM 0 HE2 HIS A 78 8.881 -0.944 -0.421 1.00 0.00 H new ATOM 1251 N PRO A 79 12.309 5.240 0.731 0.11 0.00 N ATOM 1252 CA PRO A 79 12.845 6.603 0.649 1.00 0.00 C ATOM 1253 C PRO A 79 11.846 7.645 1.140 0.21 0.00 C ATOM 1254 O PRO A 79 12.209 8.792 1.401 1.00 0.00 O ATOM 1255 CB PRO A 79 13.132 6.800 -0.845 0.07 0.00 C ATOM 1256 CG PRO A 79 12.347 5.741 -1.537 0.20 0.00 C ATOM 1257 CD PRO A 79 12.297 4.581 -0.586 0.06 0.00 C ATOM 0 HA PRO A 79 13.726 6.727 1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.830 7.794 -1.176 0.07 0.00 H new ATOM 0 HB3 PRO A 79 14.197 6.703 -1.057 0.07 0.00 H new ATOM 0 HG2 PRO A 79 11.344 6.093 -1.778 0.20 0.00 H new ATOM 0 HG3 PRO A 79 12.819 5.456 -2.477 0.20 0.00 H new ATOM 0 HD2 PRO A 79 11.400 3.979 -0.729 0.06 0.00 H new ATOM 0 HD3 PRO A 79 13.151 3.916 -0.714 0.06 0.00 H new ATOM 1265 N ASN A 80 10.585 7.239 1.262 1.00 0.00 N ATOM 1266 CA ASN A 80 9.536 8.139 1.728 0.09 0.00 C ATOM 1267 C ASN A 80 8.397 7.359 2.381 1.00 0.00 C ATOM 1268 O ASN A 80 7.749 6.531 1.741 0.15 0.00 O ATOM 1269 CB ASN A 80 9.001 8.971 0.560 0.08 0.00 C ATOM 1270 CG ASN A 80 8.540 8.112 -0.603 0.18 0.00 C ATOM 1271 OD1 ASN A 80 7.372 7.734 -0.687 0.36 0.00 O ATOM 1272 ND2 ASN A 80 9.462 7.798 -1.507 0.06 0.00 N ATOM 0 H ASN A 80 10.266 6.295 1.045 1.00 0.00 H new ATOM 0 HA ASN A 80 9.965 8.806 2.476 0.09 0.00 H new ATOM 0 HB2 ASN A 80 8.169 9.585 0.906 0.08 0.00 H new ATOM 0 HB3 ASN A 80 9.779 9.653 0.218 0.08 0.00 H new ATOM 0 HD21 ASN A 80 9.213 7.221 -2.311 0.06 0.00 H new ATOM 0 HD22 ASN A 80 10.419 8.134 -1.397 0.06 0.00 H new ATOM 1279 N VAL A 81 8.164 7.630 3.663 0.28 0.00 N ATOM 1280 CA VAL A 81 7.100 6.964 4.405 0.38 0.00 C ATOM 1281 C VAL A 81 6.626 7.830 5.572 1.00 0.00 C ATOM 1282 O VAL A 81 7.338 8.729 6.017 0.12 0.00 O ATOM 1283 CB VAL A 81 7.559 5.588 4.936 0.05 0.00 C ATOM 1284 CG1 VAL A 81 8.545 5.747 6.083 1.00 0.00 C ATOM 1285 CG2 VAL A 81 6.361 4.753 5.362 0.08 0.00 C ATOM 0 H VAL A 81 8.698 8.306 4.208 0.28 0.00 H new ATOM 0 HA VAL A 81 6.272 6.811 3.713 0.38 0.00 H new ATOM 0 HB VAL A 81 8.070 5.065 4.127 0.05 0.00 H new ATOM 0 HG11 VAL A 81 8.852 4.763 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.420 6.297 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.071 6.295 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.704 3.787 5.733 0.08 0.00 H new ATOM 0 HG22 VAL A 81 5.817 5.273 6.151 0.08 0.00 H new ATOM 0 HG23 VAL A 81 5.702 4.600 4.507 0.08 0.00 H new ATOM 1295 N TYR A 82 5.421 7.554 6.062 0.12 0.00 N ATOM 1296 CA TYR A 82 4.856 8.309 7.178 0.41 0.00 C ATOM 1297 C TYR A 82 5.242 7.684 8.516 1.00 0.00 C ATOM 1298 O TYR A 82 5.769 6.572 8.564 0.10 0.00 O ATOM 1299 CB TYR A 82 3.333 8.389 7.053 0.45 0.00 C ATOM 1300 CG TYR A 82 2.862 9.428 6.060 0.32 0.00 C ATOM 1301 CD1 TYR A 82 3.191 9.331 4.714 0.06 0.00 C ATOM 1302 CD2 TYR A 82 2.090 10.508 6.470 0.94 0.00 C ATOM 1303 CE1 TYR A 82 2.765 10.282 3.805 0.19 0.00 C ATOM 1304 CE2 TYR A 82 1.658 11.461 5.567 0.19 0.00 C ATOM 1305 CZ TYR A 82 1.999 11.343 4.236 1.00 0.00 C ATOM 1306 OH TYR A 82 1.573 12.290 3.334 0.24 0.00 O ATOM 0 H TYR A 82 4.817 6.814 5.705 0.12 0.00 H new ATOM 0 HA TYR A 82 5.267 9.318 7.142 0.41 0.00 H new ATOM 0 HB2 TYR A 82 2.949 7.413 6.755 0.45 0.00 H new ATOM 0 HB3 TYR A 82 2.908 8.614 8.031 0.45 0.00 H new ATOM 0 HD1 TYR A 82 3.789 8.499 4.372 0.06 0.00 H new ATOM 0 HD2 TYR A 82 1.823 10.604 7.512 0.94 0.00 H new ATOM 0 HE1 TYR A 82 3.031 10.193 2.762 0.19 0.00 H new ATOM 0 HE2 TYR A 82 1.057 12.293 5.902 0.19 0.00 H new ATOM 0 HH TYR A 82 1.043 12.970 3.800 0.24 0.00 H new ATOM 1316 N ALA A 83 4.970 8.409 9.598 0.86 0.00 N ATOM 1317 CA ALA A 83 5.293 7.937 10.940 1.00 0.00 C ATOM 1318 C ALA A 83 4.454 6.722 11.324 1.00 0.00 C ATOM 1319 O ALA A 83 4.968 5.757 11.888 1.00 0.00 O ATOM 1320 CB ALA A 83 5.093 9.056 11.951 1.00 0.00 C ATOM 0 H ALA A 83 4.526 9.327 9.571 0.86 0.00 H new ATOM 0 HA ALA A 83 6.340 7.632 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.337 8.692 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.744 9.893 11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.054 9.385 11.929 1.00 0.00 H new ATOM 1326 N ASP A 84 3.162 6.776 11.019 0.06 0.00 N ATOM 1327 CA ASP A 84 2.256 5.677 11.337 1.00 0.00 C ATOM 1328 C ASP A 84 2.442 4.516 10.367 0.06 0.00 C ATOM 1329 O ASP A 84 1.798 3.475 10.500 0.10 0.00 O ATOM 1330 CB ASP A 84 0.804 6.157 11.302 1.00 0.00 C ATOM 1331 CG ASP A 84 0.520 7.219 12.348 0.71 0.00 C ATOM 1332 OD1 ASP A 84 0.161 6.849 13.486 0.19 0.00 O ATOM 1333 OD2 ASP A 84 0.654 8.419 12.027 0.20 0.00 O ATOM 0 H ASP A 84 2.719 7.567 10.553 0.06 0.00 H new ATOM 0 HA ASP A 84 2.492 5.327 12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.580 6.556 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.140 5.308 11.461 1.00 0.00 H new ATOM 1338 N GLY A 85 3.326 4.701 9.394 1.00 0.00 N ATOM 1339 CA GLY A 85 3.577 3.661 8.414 1.00 0.00 C ATOM 1340 C GLY A 85 2.795 3.871 7.134 0.65 0.00 C ATOM 1341 O GLY A 85 2.892 3.073 6.202 0.12 0.00 O ATOM 0 H GLY A 85 3.873 5.552 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.642 3.631 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.316 2.693 8.841 1.00 0.00 H new ATOM 1345 N SER A 86 2.013 4.947 7.089 0.24 0.00 N ATOM 1346 CA SER A 86 1.214 5.264 5.911 0.31 0.00 C ATOM 1347 C SER A 86 2.112 5.483 4.698 1.00 0.00 C ATOM 1348 O SER A 86 3.243 5.948 4.829 1.00 0.00 O ATOM 1349 CB SER A 86 0.362 6.508 6.164 1.00 0.00 C ATOM 1350 OG SER A 86 -0.509 6.314 7.264 0.36 0.00 O ATOM 0 H SER A 86 1.917 5.613 7.855 0.24 0.00 H new ATOM 0 HA SER A 86 0.554 4.421 5.708 0.31 0.00 H new ATOM 0 HB2 SER A 86 1.010 7.363 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.220 6.742 5.272 1.00 0.00 H new ATOM 0 HG SER A 86 -1.042 7.124 7.406 0.36 0.00 H new ATOM 1356 N ILE A 87 1.602 5.147 3.517 1.00 0.00 N ATOM 1357 CA ILE A 87 2.368 5.300 2.288 0.92 0.00 C ATOM 1358 C ILE A 87 2.125 6.661 1.647 0.75 0.00 C ATOM 1359 O ILE A 87 0.982 7.093 1.496 0.08 0.00 O ATOM 1360 CB ILE A 87 2.029 4.197 1.265 0.47 0.00 C ATOM 1361 CG1 ILE A 87 2.315 2.815 1.854 0.28 0.00 C ATOM 1362 CG2 ILE A 87 2.818 4.401 -0.021 1.00 0.00 C ATOM 1363 CD1 ILE A 87 1.180 2.265 2.689 0.51 0.00 C ATOM 0 H ILE A 87 0.664 4.768 3.387 1.00 0.00 H new ATOM 0 HA ILE A 87 3.418 5.216 2.567 0.92 0.00 H new ATOM 0 HB ILE A 87 0.966 4.260 1.031 0.47 0.00 H new ATOM 0 HG12 ILE A 87 2.527 2.120 1.042 0.28 0.00 H new ATOM 0 HG13 ILE A 87 3.213 2.870 2.469 0.28 0.00 H new ATOM 0 HG21 ILE A 87 2.566 3.613 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.568 5.371 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.885 4.365 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.454 1.283 3.074 0.51 0.00 H new ATOM 0 HD12 ILE A 87 0.982 2.939 3.523 0.51 0.00 H new ATOM 0 HD13 ILE A 87 0.285 2.177 2.073 0.51 0.00 H new ATOM 1375 N CYS A 88 3.210 7.331 1.271 0.11 0.00 N ATOM 1376 CA CYS A 88 3.121 8.639 0.637 0.21 0.00 C ATOM 1377 C CYS A 88 2.526 8.510 -0.760 0.20 0.00 C ATOM 1378 O CYS A 88 3.236 8.206 -1.720 0.07 0.00 O ATOM 1379 CB CYS A 88 4.501 9.294 0.561 1.00 0.00 C ATOM 1380 SG CYS A 88 4.519 10.883 -0.302 0.59 0.00 S ATOM 0 H CYS A 88 4.162 6.988 1.395 0.11 0.00 H new ATOM 0 HA CYS A 88 2.469 9.270 1.241 0.21 0.00 H new ATOM 0 HB2 CYS A 88 4.879 9.438 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.187 8.612 0.059 1.00 0.00 H new ATOM 0 HG CYS A 88 5.729 11.358 -0.312 0.59 0.00 H new ATOM 1386 N LEU A 89 1.222 8.738 -0.867 0.11 0.00 N ATOM 1387 CA LEU A 89 0.537 8.634 -2.150 0.58 0.00 C ATOM 1388 C LEU A 89 -0.070 9.970 -2.558 1.00 0.00 C ATOM 1389 O LEU A 89 -0.544 10.734 -1.717 0.57 0.00 O ATOM 1390 CB LEU A 89 -0.553 7.564 -2.075 0.05 0.00 C ATOM 1391 CG LEU A 89 -0.562 6.566 -3.235 1.00 0.00 C ATOM 1392 CD1 LEU A 89 -1.565 5.453 -2.972 0.82 0.00 C ATOM 1393 CD2 LEU A 89 -0.873 7.273 -4.548 1.00 0.00 C ATOM 0 H LEU A 89 0.620 8.995 -0.085 0.11 0.00 H new ATOM 0 HA LEU A 89 1.270 8.350 -2.905 0.58 0.00 H new ATOM 0 HB2 LEU A 89 -0.436 7.012 -1.142 0.05 0.00 H new ATOM 0 HB3 LEU A 89 -1.524 8.058 -2.033 0.05 0.00 H new ATOM 0 HG LEU A 89 0.430 6.121 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.558 4.752 -3.807 0.82 0.00 H new ATOM 0 HD12 LEU A 89 -1.294 4.928 -2.056 0.82 0.00 H new ATOM 0 HD13 LEU A 89 -2.562 5.880 -2.865 0.82 0.00 H new ATOM 0 HD21 LEU A 89 -0.875 6.547 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.852 7.747 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.115 8.032 -4.741 1.00 0.00 H new ATOM 1405 N ASP A 90 -0.050 10.245 -3.858 0.06 0.00 N ATOM 1406 CA ASP A 90 -0.596 11.488 -4.388 0.38 0.00 C ATOM 1407 C ASP A 90 -2.110 11.392 -4.548 1.00 0.00 C ATOM 1408 O ASP A 90 -2.794 12.405 -4.706 0.20 0.00 O ATOM 1409 CB ASP A 90 0.051 11.816 -5.735 1.00 0.00 C ATOM 1410 CG ASP A 90 1.556 11.962 -5.631 1.00 0.00 C ATOM 1411 OD1 ASP A 90 2.262 10.941 -5.765 1.00 0.00 O ATOM 1412 OD2 ASP A 90 2.028 13.099 -5.418 0.08 0.00 O ATOM 0 H ASP A 90 0.340 9.622 -4.565 0.06 0.00 H new ATOM 0 HA ASP A 90 -0.374 12.287 -3.680 0.38 0.00 H new ATOM 0 HB2 ASP A 90 -0.187 11.029 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.375 12.740 -6.125 1.00 0.00 H new ATOM 1417 N ILE A 91 -2.630 10.167 -4.507 0.20 0.00 N ATOM 1418 CA ILE A 91 -4.064 9.939 -4.650 0.16 0.00 C ATOM 1419 C ILE A 91 -4.817 10.365 -3.394 0.10 0.00 C ATOM 1420 O ILE A 91 -6.022 10.612 -3.435 0.21 0.00 O ATOM 1421 CB ILE A 91 -4.372 8.455 -4.950 0.42 0.00 C ATOM 1422 CG1 ILE A 91 -5.766 8.314 -5.567 0.43 0.00 C ATOM 1423 CG2 ILE A 91 -4.264 7.618 -3.682 0.85 0.00 C ATOM 1424 CD1 ILE A 91 -6.077 6.911 -6.048 0.09 0.00 C ATOM 0 H ILE A 91 -2.079 9.319 -4.376 0.20 0.00 H new ATOM 0 HA ILE A 91 -4.399 10.546 -5.491 0.16 0.00 H new ATOM 0 HB ILE A 91 -3.637 8.089 -5.666 0.42 0.00 H new ATOM 0 HG12 ILE A 91 -6.512 8.610 -4.830 0.43 0.00 H new ATOM 0 HG13 ILE A 91 -5.855 9.005 -6.406 0.43 0.00 H new ATOM 0 HG21 ILE A 91 -4.484 6.576 -3.914 0.85 0.00 H new ATOM 0 HG22 ILE A 91 -3.254 7.694 -3.281 0.85 0.00 H new ATOM 0 HG23 ILE A 91 -4.977 7.984 -2.943 0.85 0.00 H new ATOM 0 HD11 ILE A 91 -7.080 6.886 -6.473 0.09 0.00 H new ATOM 0 HD12 ILE A 91 -5.353 6.618 -6.809 0.09 0.00 H new ATOM 0 HD13 ILE A 91 -6.021 6.218 -5.209 0.09 0.00 H new ATOM 1436 N LEU A 92 -4.098 10.450 -2.278 0.29 0.00 N ATOM 1437 CA LEU A 92 -4.697 10.840 -1.005 0.06 0.00 C ATOM 1438 C LEU A 92 -5.059 12.321 -0.997 0.18 0.00 C ATOM 1439 O LEU A 92 -6.001 12.735 -0.320 1.00 0.00 O ATOM 1440 CB LEU A 92 -3.738 10.533 0.145 0.11 0.00 C ATOM 1441 CG LEU A 92 -3.243 9.088 0.213 0.06 0.00 C ATOM 1442 CD1 LEU A 92 -2.209 8.929 1.318 0.09 0.00 C ATOM 1443 CD2 LEU A 92 -4.407 8.133 0.430 0.95 0.00 C ATOM 0 H LEU A 92 -3.098 10.254 -2.230 0.29 0.00 H new ATOM 0 HA LEU A 92 -5.613 10.264 -0.874 0.06 0.00 H new ATOM 0 HB2 LEU A 92 -2.874 11.192 0.062 0.11 0.00 H new ATOM 0 HB3 LEU A 92 -4.234 10.775 1.085 0.11 0.00 H new ATOM 0 HG LEU A 92 -2.771 8.842 -0.738 0.06 0.00 H new ATOM 0 HD11 LEU A 92 -1.868 7.894 1.351 0.09 0.00 H new ATOM 0 HD12 LEU A 92 -1.361 9.584 1.120 0.09 0.00 H new ATOM 0 HD13 LEU A 92 -2.656 9.195 2.276 0.09 0.00 H new ATOM 0 HD21 LEU A 92 -4.034 7.110 0.476 0.95 0.00 H new ATOM 0 HD22 LEU A 92 -4.909 8.378 1.366 0.95 0.00 H new ATOM 0 HD23 LEU A 92 -5.113 8.226 -0.396 0.95 0.00 H new ATOM 1455 N GLN A 93 -4.308 13.115 -1.754 1.00 0.00 N ATOM 1456 CA GLN A 93 -4.549 14.552 -1.833 1.00 0.00 C ATOM 1457 C GLN A 93 -5.883 14.849 -2.518 0.07 0.00 C ATOM 1458 O GLN A 93 -6.734 13.969 -2.647 1.00 0.00 O ATOM 1459 CB GLN A 93 -3.405 15.241 -2.581 0.22 0.00 C ATOM 1460 CG GLN A 93 -2.180 15.501 -1.717 1.00 0.00 C ATOM 1461 CD GLN A 93 -1.604 14.234 -1.117 1.00 0.00 C ATOM 1462 OE1 GLN A 93 -0.681 13.605 -1.834 0.09 0.00 O flip ATOM 1463 NE2 GLN A 93 -1.983 13.825 -0.018 0.22 0.00 N flip ATOM 0 H GLN A 93 -3.527 12.787 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.595 14.944 -0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.115 14.624 -3.431 0.22 0.00 H new ATOM 0 HB3 GLN A 93 -3.764 16.189 -2.982 0.22 0.00 H new ATOM 0 HG2 GLN A 93 -1.415 15.993 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.447 16.189 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.695 14.340 0.500 0.22 0.00 H new ATOM 0 HE22 GLN A 93 -1.584 12.972 0.374 0.22 0.00 H new ATOM 1472 N ASN A 94 -6.057 16.095 -2.951 1.00 0.00 N ATOM 1473 CA ASN A 94 -7.287 16.514 -3.617 0.08 0.00 C ATOM 1474 C ASN A 94 -7.482 15.793 -4.948 0.06 0.00 C ATOM 1475 O ASN A 94 -8.492 15.986 -5.627 0.37 0.00 O ATOM 1476 CB ASN A 94 -7.282 18.030 -3.837 1.00 0.00 C ATOM 1477 CG ASN A 94 -5.956 18.549 -4.370 0.50 0.00 C ATOM 1478 OD1 ASN A 94 -5.250 17.722 -5.134 0.73 0.00 O flip ATOM 1479 ND2 ASN A 94 -5.570 19.685 -4.095 0.09 0.00 N flip ATOM 0 H ASN A 94 -5.360 16.833 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.120 16.247 -2.967 0.08 0.00 H new ATOM 0 HB2 ASN A 94 -8.076 18.293 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.509 18.529 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.142 20.289 -3.505 0.09 0.00 H new ATOM 0 HD22 ASN A 94 -4.678 20.022 -4.457 0.09 0.00 H new ATOM 1486 N ARG A 95 -6.514 14.960 -5.319 0.30 0.00 N ATOM 1487 CA ARG A 95 -6.587 14.212 -6.568 0.31 0.00 C ATOM 1488 C ARG A 95 -7.475 12.981 -6.415 1.00 0.00 C ATOM 1489 O ARG A 95 -7.540 12.136 -7.308 0.10 0.00 O ATOM 1490 CB ARG A 95 -5.187 13.796 -7.014 1.00 0.00 C ATOM 1491 CG ARG A 95 -4.283 14.974 -7.337 0.83 0.00 C ATOM 1492 CD ARG A 95 -2.899 14.513 -7.756 1.00 0.00 C ATOM 1493 NE ARG A 95 -2.939 13.692 -8.963 0.20 0.00 N ATOM 1494 CZ ARG A 95 -1.884 13.043 -9.450 0.06 0.00 C ATOM 1495 NH1 ARG A 95 -0.712 13.116 -8.833 0.80 0.00 N ATOM 1496 NH2 ARG A 95 -2.002 12.319 -10.554 1.00 0.00 N ATOM 0 H ARG A 95 -5.671 14.787 -4.772 0.30 0.00 H new ATOM 0 HA ARG A 95 -7.026 14.859 -7.328 0.31 0.00 H new ATOM 0 HB2 ARG A 95 -4.726 13.198 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.268 13.158 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.728 15.567 -8.136 0.83 0.00 H new ATOM 0 HG3 ARG A 95 -4.203 15.623 -6.465 0.83 0.00 H new ATOM 0 HD2 ARG A 95 -2.264 15.382 -7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.445 13.944 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.826 13.611 -9.461 0.20 0.00 H new ATOM 0 HH11 ARG A 95 -0.617 13.671 -7.982 0.80 0.00 H new ATOM 0 HH12 ARG A 95 0.094 12.617 -9.209 0.80 0.00 H new ATOM 0 HH21 ARG A 95 -2.902 12.259 -11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.193 11.822 -10.927 1.00 0.00 H new ATOM 1510 N TRP A 96 -8.159 12.889 -5.278 0.16 0.00 N ATOM 1511 CA TRP A 96 -9.044 11.762 -5.007 0.80 0.00 C ATOM 1512 C TRP A 96 -10.453 12.027 -5.523 0.86 0.00 C ATOM 1513 O TRP A 96 -10.916 13.167 -5.549 1.00 0.00 O ATOM 1514 CB TRP A 96 -9.089 11.468 -3.504 1.00 0.00 C ATOM 1515 CG TRP A 96 -10.136 10.464 -3.126 0.22 0.00 C ATOM 1516 CD1 TRP A 96 -11.253 10.688 -2.374 0.11 0.00 C ATOM 1517 CD2 TRP A 96 -10.170 9.079 -3.495 0.88 0.00 C ATOM 1518 NE1 TRP A 96 -11.977 9.528 -2.247 0.06 0.00 N ATOM 1519 CE2 TRP A 96 -11.334 8.527 -2.925 0.31 0.00 C ATOM 1520 CE3 TRP A 96 -9.331 8.253 -4.246 0.06 0.00 C ATOM 1521 CZ2 TRP A 96 -11.678 7.187 -3.087 1.00 0.00 C ATOM 1522 CZ3 TRP A 96 -9.674 6.923 -4.406 0.09 0.00 C ATOM 1523 CH2 TRP A 96 -10.839 6.402 -3.828 0.06 0.00 C ATOM 0 H TRP A 96 -8.117 13.581 -4.530 0.16 0.00 H new ATOM 0 HA TRP A 96 -8.645 10.894 -5.532 0.80 0.00 H new ATOM 0 HB2 TRP A 96 -8.113 11.103 -3.183 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -9.275 12.397 -2.965 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -11.527 11.639 -1.942 0.11 0.00 H new ATOM 0 HE1 TRP A 96 -12.851 9.428 -1.731 0.06 0.00 H new ATOM 0 HE3 TRP A 96 -8.430 8.646 -4.694 0.06 0.00 H new ATOM 0 HZ2 TRP A 96 -12.576 6.782 -2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -9.033 6.275 -4.986 0.09 0.00 H new ATOM 0 HH2 TRP A 96 -11.079 5.359 -3.971 0.06 0.00 H new ATOM 1534 N SER A 97 -11.128 10.958 -5.935 0.73 0.00 N ATOM 1535 CA SER A 97 -12.488 11.055 -6.443 0.20 0.00 C ATOM 1536 C SER A 97 -13.304 9.834 -6.021 0.16 0.00 C ATOM 1537 O SER A 97 -12.760 8.740 -5.876 1.00 0.00 O ATOM 1538 CB SER A 97 -12.481 11.182 -7.967 0.07 0.00 C ATOM 1539 OG SER A 97 -11.837 12.376 -8.375 0.07 0.00 O ATOM 0 H SER A 97 -10.751 10.010 -5.926 0.73 0.00 H new ATOM 0 HA SER A 97 -12.950 11.947 -6.020 0.20 0.00 H new ATOM 0 HB2 SER A 97 -11.973 10.323 -8.405 0.07 0.00 H new ATOM 0 HB3 SER A 97 -13.505 11.171 -8.341 0.07 0.00 H new ATOM 0 HG SER A 97 -11.844 12.434 -9.353 0.07 0.00 H new ATOM 1545 N PRO A 98 -14.626 10.003 -5.821 1.00 0.00 N ATOM 1546 CA PRO A 98 -15.505 8.902 -5.412 0.07 0.00 C ATOM 1547 C PRO A 98 -15.813 7.945 -6.559 0.10 0.00 C ATOM 1548 O PRO A 98 -16.746 7.146 -6.479 0.09 0.00 O ATOM 1549 CB PRO A 98 -16.774 9.625 -4.962 0.48 0.00 C ATOM 1550 CG PRO A 98 -16.803 10.873 -5.772 1.00 0.00 C ATOM 1551 CD PRO A 98 -15.364 11.271 -5.980 0.13 0.00 C ATOM 0 HA PRO A 98 -15.052 8.278 -4.642 0.07 0.00 H new ATOM 0 HB2 PRO A 98 -17.661 9.017 -5.140 0.48 0.00 H new ATOM 0 HB3 PRO A 98 -16.747 9.846 -3.895 0.48 0.00 H new ATOM 0 HG2 PRO A 98 -17.303 10.707 -6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -17.354 11.659 -5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.207 11.705 -6.967 0.13 0.00 H new ATOM 0 HD3 PRO A 98 -15.044 12.015 -5.250 0.13 0.00 H new ATOM 1559 N THR A 99 -15.022 8.031 -7.625 0.53 0.00 N ATOM 1560 CA THR A 99 -15.210 7.176 -8.790 1.00 0.00 C ATOM 1561 C THR A 99 -14.342 5.924 -8.703 0.10 0.00 C ATOM 1562 O THR A 99 -14.806 4.814 -8.965 1.00 0.00 O ATOM 1563 CB THR A 99 -14.879 7.929 -10.092 1.00 0.00 C ATOM 1564 OG1 THR A 99 -15.666 9.122 -10.182 1.00 0.00 O ATOM 1565 CG2 THR A 99 -15.139 7.054 -11.308 0.32 0.00 C ATOM 0 H THR A 99 -14.244 8.686 -7.705 0.53 0.00 H new ATOM 0 HA THR A 99 -16.260 6.883 -8.803 1.00 0.00 H new ATOM 0 HB THR A 99 -13.821 8.191 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 99 -15.448 9.596 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.897 7.609 -12.214 0.32 0.00 H new ATOM 0 HG22 THR A 99 -14.517 6.161 -11.253 0.32 0.00 H new ATOM 0 HG23 THR A 99 -16.189 6.764 -11.330 0.32 0.00 H new ATOM 1573 N TYR A 100 -13.077 6.110 -8.332 1.00 0.00 N ATOM 1574 CA TYR A 100 -12.140 4.997 -8.212 1.00 0.00 C ATOM 1575 C TYR A 100 -12.530 4.070 -7.065 0.32 0.00 C ATOM 1576 O TYR A 100 -13.471 4.348 -6.320 0.41 0.00 O ATOM 1577 CB TYR A 100 -10.718 5.521 -8.001 0.21 0.00 C ATOM 1578 CG TYR A 100 -10.163 6.267 -9.192 0.21 0.00 C ATOM 1579 CD1 TYR A 100 -9.719 5.583 -10.318 0.38 0.00 C ATOM 1580 CD2 TYR A 100 -10.082 7.655 -9.193 0.05 0.00 C ATOM 1581 CE1 TYR A 100 -9.210 6.260 -11.410 1.00 0.00 C ATOM 1582 CE2 TYR A 100 -9.573 8.339 -10.282 0.52 0.00 C ATOM 1583 CZ TYR A 100 -9.139 7.637 -11.386 0.20 0.00 C ATOM 1584 OH TYR A 100 -8.631 8.312 -12.472 0.09 0.00 O ATOM 0 H TYR A 100 -12.678 7.022 -8.109 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.177 4.426 -9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.708 6.181 -7.133 0.21 0.00 H new ATOM 0 HB3 TYR A 100 -10.061 4.682 -7.771 0.21 0.00 H new ATOM 0 HD1 TYR A 100 -9.773 4.505 -10.340 0.38 0.00 H new ATOM 0 HD2 TYR A 100 -10.422 8.208 -8.330 0.05 0.00 H new ATOM 0 HE1 TYR A 100 -8.870 5.714 -12.277 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.516 9.417 -10.267 0.52 0.00 H new ATOM 0 HH TYR A 100 -8.651 9.276 -12.297 0.09 0.00 H new ATOM 1594 N ASP A 101 -11.799 2.966 -6.928 0.27 0.00 N ATOM 1595 CA ASP A 101 -12.068 1.994 -5.873 1.00 0.00 C ATOM 1596 C ASP A 101 -10.772 1.495 -5.236 0.05 0.00 C ATOM 1597 O ASP A 101 -9.694 2.025 -5.505 0.31 0.00 O ATOM 1598 CB ASP A 101 -12.869 0.816 -6.433 1.00 0.00 C ATOM 1599 CG ASP A 101 -12.123 0.073 -7.524 1.00 0.00 C ATOM 1600 OD1 ASP A 101 -11.895 0.669 -8.598 0.09 0.00 O ATOM 1601 OD2 ASP A 101 -11.772 -1.105 -7.306 0.43 0.00 O ATOM 0 H ASP A 101 -11.016 2.723 -7.535 0.27 0.00 H new ATOM 0 HA ASP A 101 -12.654 2.489 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -13.106 0.125 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -13.817 1.181 -6.829 1.00 0.00 H new ATOM 1606 N VAL A 102 -10.889 0.475 -4.391 1.00 0.00 N ATOM 1607 CA VAL A 102 -9.735 -0.097 -3.701 0.61 0.00 C ATOM 1608 C VAL A 102 -8.694 -0.631 -4.685 0.31 0.00 C ATOM 1609 O VAL A 102 -7.518 -0.766 -4.346 0.28 0.00 O ATOM 1610 CB VAL A 102 -10.166 -1.232 -2.749 0.37 0.00 C ATOM 1611 CG1 VAL A 102 -10.770 -2.390 -3.529 0.72 0.00 C ATOM 1612 CG2 VAL A 102 -8.990 -1.702 -1.905 0.14 0.00 C ATOM 0 H VAL A 102 -11.776 0.025 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.284 0.709 -3.122 0.61 0.00 H new ATOM 0 HB VAL A 102 -10.931 -0.842 -2.077 0.37 0.00 H new ATOM 0 HG11 VAL A 102 -11.067 -3.179 -2.838 0.72 0.00 H new ATOM 0 HG12 VAL A 102 -11.644 -2.042 -4.079 0.72 0.00 H new ATOM 0 HG13 VAL A 102 -10.032 -2.781 -4.230 0.72 0.00 H new ATOM 0 HG21 VAL A 102 -9.316 -2.502 -1.241 0.14 0.00 H new ATOM 0 HG22 VAL A 102 -8.199 -2.071 -2.557 0.14 0.00 H new ATOM 0 HG23 VAL A 102 -8.612 -0.869 -1.312 0.14 0.00 H new ATOM 1622 N SER A 103 -9.127 -0.934 -5.902 0.74 0.00 N ATOM 1623 CA SER A 103 -8.222 -1.451 -6.925 0.07 0.00 C ATOM 1624 C SER A 103 -7.251 -0.367 -7.390 0.05 0.00 C ATOM 1625 O SER A 103 -6.109 -0.655 -7.748 0.07 0.00 O ATOM 1626 CB SER A 103 -9.016 -1.990 -8.116 1.00 0.00 C ATOM 1627 OG SER A 103 -8.151 -2.474 -9.128 0.52 0.00 O ATOM 0 H SER A 103 -10.095 -0.832 -6.206 0.74 0.00 H new ATOM 0 HA SER A 103 -7.645 -2.266 -6.487 0.07 0.00 H new ATOM 0 HB2 SER A 103 -9.677 -2.791 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.650 -1.201 -8.521 1.00 0.00 H new ATOM 0 HG SER A 103 -8.683 -2.814 -9.878 0.52 0.00 H new ATOM 1633 N SER A 104 -7.716 0.878 -7.382 0.49 0.00 N ATOM 1634 CA SER A 104 -6.897 2.009 -7.809 0.08 0.00 C ATOM 1635 C SER A 104 -5.767 2.290 -6.821 0.22 0.00 C ATOM 1636 O SER A 104 -4.638 2.571 -7.224 0.11 0.00 O ATOM 1637 CB SER A 104 -7.767 3.256 -7.972 0.10 0.00 C ATOM 1638 OG SER A 104 -6.995 4.364 -8.403 0.06 0.00 O ATOM 0 H SER A 104 -8.658 1.131 -7.084 0.49 0.00 H new ATOM 0 HA SER A 104 -6.448 1.750 -8.768 0.08 0.00 H new ATOM 0 HB2 SER A 104 -8.560 3.058 -8.694 0.10 0.00 H new ATOM 0 HB3 SER A 104 -8.250 3.492 -7.024 0.10 0.00 H new ATOM 0 HG SER A 104 -7.533 4.926 -8.999 0.06 0.00 H new ATOM 1644 N ILE A 105 -6.073 2.213 -5.530 0.06 0.00 N ATOM 1645 CA ILE A 105 -5.079 2.475 -4.493 0.12 0.00 C ATOM 1646 C ILE A 105 -4.052 1.348 -4.405 0.95 0.00 C ATOM 1647 O ILE A 105 -2.877 1.591 -4.130 0.81 0.00 O ATOM 1648 CB ILE A 105 -5.751 2.689 -3.116 0.10 0.00 C ATOM 1649 CG1 ILE A 105 -4.727 3.171 -2.073 0.17 0.00 C ATOM 1650 CG2 ILE A 105 -6.454 1.418 -2.654 1.00 0.00 C ATOM 1651 CD1 ILE A 105 -4.006 2.062 -1.330 0.16 0.00 C ATOM 0 H ILE A 105 -6.999 1.972 -5.176 0.06 0.00 H new ATOM 0 HA ILE A 105 -4.558 3.391 -4.772 0.12 0.00 H new ATOM 0 HB ILE A 105 -6.506 3.468 -3.223 0.10 0.00 H new ATOM 0 HG12 ILE A 105 -3.987 3.795 -2.573 0.17 0.00 H new ATOM 0 HG13 ILE A 105 -5.239 3.803 -1.347 0.17 0.00 H new ATOM 0 HG21 ILE A 105 -6.919 1.592 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.219 1.141 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.727 0.611 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.306 2.497 -0.617 0.16 0.00 H new ATOM 0 HD12 ILE A 105 -4.733 1.449 -0.797 0.16 0.00 H new ATOM 0 HD13 ILE A 105 -3.461 1.442 -2.042 0.16 0.00 H new ATOM 1663 N LEU A 106 -4.495 0.117 -4.645 0.11 0.00 N ATOM 1664 CA LEU A 106 -3.603 -1.038 -4.587 0.37 0.00 C ATOM 1665 C LEU A 106 -2.485 -0.929 -5.621 0.93 0.00 C ATOM 1666 O LEU A 106 -1.309 -1.098 -5.296 0.06 0.00 O ATOM 1667 CB LEU A 106 -4.388 -2.338 -4.805 0.08 0.00 C ATOM 1668 CG LEU A 106 -5.155 -2.857 -3.583 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -5.885 -4.146 -3.923 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -4.211 -3.077 -2.410 1.00 0.00 C ATOM 0 H LEU A 106 -5.462 -0.106 -4.881 0.11 0.00 H new ATOM 0 HA LEU A 106 -3.152 -1.055 -3.595 0.37 0.00 H new ATOM 0 HB2 LEU A 106 -5.097 -2.182 -5.618 0.08 0.00 H new ATOM 0 HB3 LEU A 106 -3.693 -3.112 -5.132 0.08 0.00 H new ATOM 0 HG LEU A 106 -5.891 -2.106 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.424 -4.501 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.591 -3.962 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.164 -4.901 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.775 -3.445 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.452 -3.809 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.729 -2.135 -2.149 1.00 0.00 H new ATOM 1682 N THR A 107 -2.857 -0.643 -6.865 0.18 0.00 N ATOM 1683 CA THR A 107 -1.884 -0.521 -7.946 0.27 0.00 C ATOM 1684 C THR A 107 -0.980 0.693 -7.753 0.19 0.00 C ATOM 1685 O THR A 107 0.164 0.704 -8.210 1.00 0.00 O ATOM 1686 CB THR A 107 -2.580 -0.410 -9.315 0.75 0.00 C ATOM 1687 OG1 THR A 107 -3.502 0.686 -9.308 0.06 0.00 O ATOM 1688 CG2 THR A 107 -3.315 -1.696 -9.652 0.08 0.00 C ATOM 0 H THR A 107 -3.825 -0.491 -7.150 0.18 0.00 H new ATOM 0 HA THR A 107 -1.277 -1.426 -7.921 0.27 0.00 H new ATOM 0 HB THR A 107 -1.817 -0.237 -10.074 0.75 0.00 H new ATOM 0 HG1 THR A 107 -3.559 1.060 -8.404 0.06 0.00 H new ATOM 0 HG21 THR A 107 -3.799 -1.595 -10.623 0.08 0.00 H new ATOM 0 HG22 THR A 107 -2.605 -2.523 -9.685 0.08 0.00 H new ATOM 0 HG23 THR A 107 -4.069 -1.895 -8.890 0.08 0.00 H new ATOM 1696 N SER A 108 -1.498 1.711 -7.074 0.43 0.00 N ATOM 1697 CA SER A 108 -0.737 2.932 -6.829 0.06 0.00 C ATOM 1698 C SER A 108 0.487 2.660 -5.957 0.17 0.00 C ATOM 1699 O SER A 108 1.585 3.127 -6.254 1.00 0.00 O ATOM 1700 CB SER A 108 -1.624 3.987 -6.169 0.10 0.00 C ATOM 1701 OG SER A 108 -2.664 4.397 -7.040 1.00 0.00 O ATOM 0 H SER A 108 -2.440 1.715 -6.684 0.43 0.00 H new ATOM 0 HA SER A 108 -0.390 3.306 -7.792 0.06 0.00 H new ATOM 0 HB2 SER A 108 -2.052 3.584 -5.251 0.10 0.00 H new ATOM 0 HB3 SER A 108 -1.020 4.850 -5.887 0.10 0.00 H new ATOM 0 HG SER A 108 -3.263 3.641 -7.213 1.00 0.00 H new ATOM 1707 N ILE A 109 0.289 1.904 -4.880 0.55 0.00 N ATOM 1708 CA ILE A 109 1.381 1.576 -3.969 1.00 0.00 C ATOM 1709 C ILE A 109 2.448 0.740 -4.668 0.07 0.00 C ATOM 1710 O ILE A 109 3.644 0.991 -4.514 0.79 0.00 O ATOM 1711 CB ILE A 109 0.872 0.814 -2.728 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -0.155 1.659 -1.970 1.00 0.00 C ATOM 1713 CG2 ILE A 109 2.036 0.440 -1.818 0.12 0.00 C ATOM 1714 CD1 ILE A 109 -0.800 0.932 -0.809 0.14 0.00 C ATOM 0 H ILE A 109 -0.614 1.509 -4.618 0.55 0.00 H new ATOM 0 HA ILE A 109 1.819 2.521 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 109 0.387 -0.105 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.332 2.560 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.932 1.980 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.659 -0.097 -0.947 0.12 0.00 H new ATOM 0 HG22 ILE A 109 2.734 -0.196 -2.363 0.12 0.00 H new ATOM 0 HG23 ILE A 109 2.549 1.345 -1.492 0.12 0.00 H new ATOM 0 HD11 ILE A 109 -1.516 1.592 -0.319 0.14 0.00 H new ATOM 0 HD12 ILE A 109 -1.316 0.045 -1.177 0.14 0.00 H new ATOM 0 HD13 ILE A 109 -0.033 0.635 -0.094 0.14 0.00 H new ATOM 1726 N GLN A 110 2.013 -0.260 -5.430 1.00 0.00 N ATOM 1727 CA GLN A 110 2.939 -1.125 -6.152 0.07 0.00 C ATOM 1728 C GLN A 110 3.783 -0.312 -7.129 0.09 0.00 C ATOM 1729 O GLN A 110 4.959 -0.607 -7.344 0.55 0.00 O ATOM 1730 CB GLN A 110 2.179 -2.218 -6.908 0.14 0.00 C ATOM 1731 CG GLN A 110 3.092 -3.189 -7.639 0.05 0.00 C ATOM 1732 CD GLN A 110 2.332 -4.153 -8.527 0.18 0.00 C ATOM 1733 OE1 GLN A 110 1.985 -5.312 -7.982 1.00 0.00 O flip ATOM 1734 NE2 GLN A 110 2.064 -3.862 -9.693 1.00 0.00 N flip ATOM 0 H GLN A 110 1.028 -0.490 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 110 3.599 -1.595 -5.423 0.07 0.00 H new ATOM 0 HB2 GLN A 110 1.559 -2.773 -6.204 0.14 0.00 H new ATOM 0 HB3 GLN A 110 1.506 -1.752 -7.627 0.14 0.00 H new ATOM 0 HG2 GLN A 110 3.802 -2.627 -8.245 0.05 0.00 H new ATOM 0 HG3 GLN A 110 3.672 -3.754 -6.910 0.05 0.00 H new ATOM 0 HE21 GLN A 110 2.350 -2.959 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.556 -4.524 -10.280 1.00 0.00 H new ATOM 1743 N SER A 111 3.171 0.710 -7.718 0.46 0.00 N ATOM 1744 CA SER A 111 3.862 1.571 -8.671 1.00 0.00 C ATOM 1745 C SER A 111 4.986 2.343 -7.988 1.00 0.00 C ATOM 1746 O SER A 111 5.989 2.683 -8.615 1.00 0.00 O ATOM 1747 CB SER A 111 2.877 2.545 -9.318 0.38 0.00 C ATOM 1748 OG SER A 111 3.529 3.380 -10.259 0.59 0.00 O ATOM 0 H SER A 111 2.197 0.962 -7.552 0.46 0.00 H new ATOM 0 HA SER A 111 4.297 0.939 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.081 1.988 -9.812 0.38 0.00 H new ATOM 0 HB3 SER A 111 2.407 3.157 -8.548 0.38 0.00 H new ATOM 0 HG SER A 111 2.877 3.992 -10.660 0.59 0.00 H new ATOM 1754 N LEU A 112 4.809 2.614 -6.698 1.00 0.00 N ATOM 1755 CA LEU A 112 5.802 3.351 -5.923 0.11 0.00 C ATOM 1756 C LEU A 112 7.143 2.625 -5.936 0.64 0.00 C ATOM 1757 O LEU A 112 8.192 3.234 -5.727 1.00 0.00 O ATOM 1758 CB LEU A 112 5.320 3.531 -4.483 1.00 0.00 C ATOM 1759 CG LEU A 112 6.176 4.462 -3.622 0.29 0.00 C ATOM 1760 CD1 LEU A 112 6.024 5.902 -4.085 0.38 0.00 C ATOM 1761 CD2 LEU A 112 5.797 4.328 -2.155 0.12 0.00 C ATOM 0 H LEU A 112 3.985 2.333 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 112 5.934 4.332 -6.380 0.11 0.00 H new ATOM 0 HB2 LEU A 112 4.300 3.916 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.282 2.552 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 112 7.221 4.174 -3.734 0.29 0.00 H new ATOM 0 HD11 LEU A 112 6.639 6.551 -3.462 0.38 0.00 H new ATOM 0 HD12 LEU A 112 6.344 5.986 -5.124 0.38 0.00 H new ATOM 0 HD13 LEU A 112 4.980 6.203 -4.002 0.38 0.00 H new ATOM 0 HD21 LEU A 112 6.416 4.997 -1.557 0.12 0.00 H new ATOM 0 HD22 LEU A 112 4.747 4.591 -2.025 0.12 0.00 H new ATOM 0 HD23 LEU A 112 5.956 3.300 -1.831 0.12 0.00 H new ATOM 1773 N LEU A 113 7.096 1.320 -6.180 0.22 0.00 N ATOM 1774 CA LEU A 113 8.304 0.503 -6.219 0.65 0.00 C ATOM 1775 C LEU A 113 8.922 0.522 -7.610 1.00 0.00 C ATOM 1776 O LEU A 113 10.136 0.654 -7.761 1.00 0.00 O ATOM 1777 CB LEU A 113 7.981 -0.941 -5.833 0.54 0.00 C ATOM 1778 CG LEU A 113 6.833 -1.113 -4.840 0.18 0.00 C ATOM 1779 CD1 LEU A 113 6.534 -2.588 -4.630 0.92 0.00 C ATOM 1780 CD2 LEU A 113 7.164 -0.436 -3.518 1.00 0.00 C ATOM 0 H LEU A 113 6.233 0.804 -6.354 0.22 0.00 H new ATOM 0 HA LEU A 113 9.015 0.921 -5.506 0.65 0.00 H new ATOM 0 HB2 LEU A 113 7.741 -1.496 -6.740 0.54 0.00 H new ATOM 0 HB3 LEU A 113 8.877 -1.395 -5.409 0.54 0.00 H new ATOM 0 HG LEU A 113 5.943 -0.637 -5.251 0.18 0.00 H new ATOM 0 HD11 LEU A 113 5.714 -2.696 -3.920 0.92 0.00 H new ATOM 0 HD12 LEU A 113 6.253 -3.041 -5.581 0.92 0.00 H new ATOM 0 HD13 LEU A 113 7.421 -3.087 -4.238 0.92 0.00 H new ATOM 0 HD21 LEU A 113 6.335 -0.569 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.065 -0.881 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.330 0.628 -3.686 1.00 0.00 H new ATOM 1792 N ASP A 114 8.073 0.389 -8.623 1.00 0.00 N ATOM 1793 CA ASP A 114 8.528 0.379 -10.005 0.08 0.00 C ATOM 1794 C ASP A 114 9.245 1.677 -10.358 0.09 0.00 C ATOM 1795 O ASP A 114 10.283 1.664 -11.022 1.00 0.00 O ATOM 1796 CB ASP A 114 7.347 0.158 -10.953 0.11 0.00 C ATOM 1797 CG ASP A 114 7.775 0.098 -12.407 0.07 0.00 C ATOM 1798 OD1 ASP A 114 8.144 -1.002 -12.871 1.00 0.00 O ATOM 1799 OD2 ASP A 114 7.740 1.150 -13.079 0.10 0.00 O ATOM 0 H ASP A 114 7.064 0.287 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 114 9.235 -0.443 -10.119 0.08 0.00 H new ATOM 0 HB2 ASP A 114 6.841 -0.770 -10.688 0.11 0.00 H new ATOM 0 HB3 ASP A 114 6.625 0.964 -10.823 0.11 0.00 H new ATOM 1804 N GLU A 115 8.685 2.798 -9.914 0.67 0.00 N ATOM 1805 CA GLU A 115 9.272 4.105 -10.186 0.22 0.00 C ATOM 1806 C GLU A 115 8.867 5.126 -9.121 1.00 0.00 C ATOM 1807 O GLU A 115 7.927 5.897 -9.316 0.35 0.00 O ATOM 1808 CB GLU A 115 8.855 4.595 -11.576 1.00 0.00 C ATOM 1809 CG GLU A 115 7.362 4.480 -11.843 0.19 0.00 C ATOM 1810 CD GLU A 115 6.976 4.970 -13.227 1.00 0.00 C ATOM 1811 OE1 GLU A 115 6.729 6.185 -13.378 0.09 0.00 O ATOM 1812 OE2 GLU A 115 6.921 4.139 -14.156 0.11 0.00 O ATOM 0 H GLU A 115 7.826 2.827 -9.365 0.67 0.00 H new ATOM 0 HA GLU A 115 10.357 4.000 -10.157 0.22 0.00 H new ATOM 0 HB2 GLU A 115 9.156 5.636 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.395 4.023 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.056 3.440 -11.732 0.19 0.00 H new ATOM 0 HG3 GLU A 115 6.818 5.054 -11.094 0.19 0.00 H new ATOM 1886 N PRO A 121 10.831 13.982 -0.510 0.51 0.00 N ATOM 1887 CA PRO A 121 10.752 12.714 0.221 0.18 0.00 C ATOM 1888 C PRO A 121 10.124 12.883 1.599 0.37 0.00 C ATOM 1889 O PRO A 121 9.819 14.000 2.020 0.23 0.00 O ATOM 1890 CB PRO A 121 12.216 12.269 0.358 0.48 0.00 C ATOM 1891 CG PRO A 121 13.008 13.190 -0.512 0.07 0.00 C ATOM 1892 CD PRO A 121 12.216 14.461 -0.607 0.25 0.00 C ATOM 0 HA PRO A 121 10.125 11.991 -0.300 0.18 0.00 H new ATOM 0 HB2 PRO A 121 12.547 12.330 1.395 0.48 0.00 H new ATOM 0 HB3 PRO A 121 12.340 11.233 0.044 0.48 0.00 H new ATOM 0 HG2 PRO A 121 13.994 13.377 -0.086 0.07 0.00 H new ATOM 0 HG3 PRO A 121 13.165 12.754 -1.499 0.07 0.00 H new ATOM 0 HD2 PRO A 121 12.463 15.154 0.198 0.25 0.00 H new ATOM 0 HD3 PRO A 121 12.399 14.984 -1.546 0.25 0.00 H new ATOM 1900 N ALA A 122 9.937 11.770 2.301 0.13 0.00 N ATOM 1901 CA ALA A 122 9.352 11.795 3.636 0.15 0.00 C ATOM 1902 C ALA A 122 10.393 11.403 4.677 0.08 0.00 C ATOM 1903 O ALA A 122 10.255 11.715 5.860 0.77 0.00 O ATOM 1904 CB ALA A 122 8.151 10.863 3.705 0.63 0.00 C ATOM 0 H ALA A 122 10.183 10.838 1.967 0.13 0.00 H new ATOM 0 HA ALA A 122 9.014 12.809 3.850 0.15 0.00 H new ATOM 0 HB1 ALA A 122 7.725 10.892 4.708 0.63 0.00 H new ATOM 0 HB2 ALA A 122 7.400 11.183 2.982 0.63 0.00 H new ATOM 0 HB3 ALA A 122 8.466 9.845 3.474 0.63 0.00 H new ATOM 1910 N ASN A 123 11.437 10.719 4.219 1.00 0.00 N ATOM 1911 CA ASN A 123 12.514 10.278 5.095 1.00 0.00 C ATOM 1912 C ASN A 123 13.849 10.866 4.645 0.07 0.00 C ATOM 1913 O ASN A 123 14.375 10.503 3.593 0.28 0.00 O ATOM 1914 CB ASN A 123 12.595 8.750 5.110 0.15 0.00 C ATOM 1915 CG ASN A 123 11.413 8.114 5.815 1.00 0.00 C ATOM 1916 OD1 ASN A 123 10.304 8.649 5.799 1.00 0.00 O ATOM 1917 ND2 ASN A 123 11.646 6.963 6.437 0.25 0.00 N ATOM 0 H ASN A 123 11.559 10.458 3.241 1.00 0.00 H new ATOM 0 HA ASN A 123 12.300 10.631 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 123 12.644 8.382 4.085 0.15 0.00 H new ATOM 0 HB3 ASN A 123 13.517 8.443 5.604 0.15 0.00 H new ATOM 0 HD21 ASN A 123 10.889 6.486 6.928 0.25 0.00 H new ATOM 0 HD22 ASN A 123 12.581 6.556 6.424 0.25 0.00 H new ATOM 1924 N SER A 124 14.390 11.775 5.449 1.00 0.00 N ATOM 1925 CA SER A 124 15.661 12.418 5.134 0.15 0.00 C ATOM 1926 C SER A 124 16.828 11.444 5.277 0.79 0.00 C ATOM 1927 O SER A 124 17.845 11.581 4.597 1.00 0.00 O ATOM 1928 CB SER A 124 15.880 13.630 6.043 0.10 0.00 C ATOM 1929 OG SER A 124 14.851 14.588 5.868 0.20 0.00 O ATOM 0 H SER A 124 13.968 12.084 6.325 1.00 0.00 H new ATOM 0 HA SER A 124 15.619 12.748 4.096 0.15 0.00 H new ATOM 0 HB2 SER A 124 15.909 13.308 7.084 0.10 0.00 H new ATOM 0 HB3 SER A 124 16.846 14.084 5.823 0.10 0.00 H new ATOM 0 HG SER A 124 15.011 15.352 6.460 0.20 0.00 H new ATOM 1935 N GLN A 125 16.676 10.461 6.159 0.11 0.00 N ATOM 1936 CA GLN A 125 17.724 9.470 6.388 0.06 0.00 C ATOM 1937 C GLN A 125 17.806 8.476 5.234 0.74 0.00 C ATOM 1938 O GLN A 125 18.895 8.161 4.751 0.23 0.00 O ATOM 1939 CB GLN A 125 17.472 8.720 7.697 0.10 0.00 C ATOM 1940 CG GLN A 125 18.579 7.742 8.060 0.24 0.00 C ATOM 1941 CD GLN A 125 18.278 6.966 9.328 1.00 0.00 C ATOM 1942 OE1 GLN A 125 17.119 6.706 9.651 1.00 0.00 O ATOM 1943 NE2 GLN A 125 19.327 6.590 10.053 1.00 0.00 N ATOM 0 H GLN A 125 15.839 10.329 6.727 0.11 0.00 H new ATOM 0 HA GLN A 125 18.674 10.001 6.454 0.06 0.00 H new ATOM 0 HB2 GLN A 125 17.358 9.443 8.505 0.10 0.00 H new ATOM 0 HB3 GLN A 125 16.530 8.177 7.620 0.10 0.00 H new ATOM 0 HG2 GLN A 125 18.726 7.043 7.237 0.24 0.00 H new ATOM 0 HG3 GLN A 125 19.514 8.288 8.185 0.24 0.00 H new ATOM 0 HE21 GLN A 125 20.270 6.828 9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 125 19.188 6.064 10.916 1.00 0.00 H new ATOM 1952 N ALA A 126 16.652 7.982 4.801 1.00 0.00 N ATOM 1953 CA ALA A 126 16.594 7.017 3.707 0.39 0.00 C ATOM 1954 C ALA A 126 17.183 7.593 2.422 0.24 0.00 C ATOM 1955 O ALA A 126 18.013 6.957 1.771 0.06 0.00 O ATOM 1956 CB ALA A 126 15.159 6.568 3.480 0.11 0.00 C ATOM 0 H ALA A 126 15.743 8.233 5.190 1.00 0.00 H new ATOM 0 HA ALA A 126 17.196 6.153 3.988 0.39 0.00 H new ATOM 0 HB1 ALA A 126 15.128 5.848 2.662 0.11 0.00 H new ATOM 0 HB2 ALA A 126 14.776 6.102 4.388 0.11 0.00 H new ATOM 0 HB3 ALA A 126 14.543 7.431 3.227 0.11 0.00 H new ATOM 1962 N ALA A 127 16.748 8.797 2.063 0.34 0.00 N ATOM 1963 CA ALA A 127 17.230 9.456 0.854 1.00 0.00 C ATOM 1964 C ALA A 127 18.707 9.824 0.966 0.06 0.00 C ATOM 1965 O ALA A 127 19.440 9.793 -0.023 0.81 0.00 O ATOM 1966 CB ALA A 127 16.399 10.697 0.566 1.00 0.00 C ATOM 0 H ALA A 127 16.063 9.336 2.592 0.34 0.00 H new ATOM 0 HA ALA A 127 17.124 8.754 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.768 11.180 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 127 15.356 10.412 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 127 16.476 11.389 1.404 1.00 0.00 H new ATOM 1972 N GLN A 128 19.141 10.173 2.174 0.34 0.00 N ATOM 1973 CA GLN A 128 20.532 10.553 2.405 0.40 0.00 C ATOM 1974 C GLN A 128 21.468 9.365 2.203 1.00 0.00 C ATOM 1975 O GLN A 128 22.458 9.461 1.476 0.27 0.00 O ATOM 1976 CB GLN A 128 20.701 11.113 3.820 0.13 0.00 C ATOM 1977 CG GLN A 128 22.109 11.601 4.118 0.29 0.00 C ATOM 1978 CD GLN A 128 22.268 12.112 5.537 0.51 0.00 C ATOM 1979 OE1 GLN A 128 21.195 12.663 6.095 1.00 0.00 O flip ATOM 1980 NE2 GLN A 128 23.343 12.014 6.127 0.83 0.00 N flip ATOM 0 H GLN A 128 18.552 10.201 3.006 0.34 0.00 H new ATOM 0 HA GLN A 128 20.794 11.323 1.680 0.40 0.00 H new ATOM 0 HB2 GLN A 128 20.002 11.938 3.961 0.13 0.00 H new ATOM 0 HB3 GLN A 128 20.433 10.341 4.541 0.13 0.00 H new ATOM 0 HG2 GLN A 128 22.814 10.787 3.949 0.29 0.00 H new ATOM 0 HG3 GLN A 128 22.368 12.397 3.419 0.29 0.00 H new ATOM 0 HE21 GLN A 128 24.143 11.584 5.662 0.83 0.00 H new ATOM 0 HE22 GLN A 128 23.435 12.363 7.081 0.83 0.00 H new ATOM 1989 N LEU A 129 21.152 8.248 2.850 0.05 0.00 N ATOM 1990 CA LEU A 129 21.967 7.042 2.743 1.00 0.00 C ATOM 1991 C LEU A 129 21.983 6.517 1.312 0.10 0.00 C ATOM 1992 O LEU A 129 22.938 5.863 0.893 0.22 0.00 O ATOM 1993 CB LEU A 129 21.448 5.962 3.695 0.25 0.00 C ATOM 1994 CG LEU A 129 21.806 6.172 5.168 0.20 0.00 C ATOM 1995 CD1 LEU A 129 21.004 5.229 6.052 0.06 0.00 C ATOM 1996 CD2 LEU A 129 23.298 5.970 5.387 1.00 0.00 C ATOM 0 H LEU A 129 20.336 8.152 3.455 0.05 0.00 H new ATOM 0 HA LEU A 129 22.988 7.300 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 129 20.363 5.910 3.604 0.25 0.00 H new ATOM 0 HB3 LEU A 129 21.841 4.997 3.375 0.25 0.00 H new ATOM 0 HG LEU A 129 21.553 7.196 5.441 0.20 0.00 H new ATOM 0 HD11 LEU A 129 21.272 5.393 7.096 0.06 0.00 H new ATOM 0 HD12 LEU A 129 19.940 5.420 5.916 0.06 0.00 H new ATOM 0 HD13 LEU A 129 21.225 4.197 5.778 0.06 0.00 H new ATOM 0 HD21 LEU A 129 23.535 6.123 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 129 23.574 4.956 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 129 23.855 6.686 4.782 1.00 0.00 H new ATOM 2008 N TYR A 130 20.920 6.804 0.570 1.00 0.00 N ATOM 2009 CA TYR A 130 20.816 6.361 -0.816 0.08 0.00 C ATOM 2010 C TYR A 130 21.961 6.932 -1.648 1.00 0.00 C ATOM 2011 O TYR A 130 22.327 6.376 -2.686 0.12 0.00 O ATOM 2012 CB TYR A 130 19.472 6.789 -1.408 1.00 0.00 C ATOM 2013 CG TYR A 130 19.206 6.224 -2.785 0.17 0.00 C ATOM 2014 CD1 TYR A 130 18.602 4.983 -2.940 0.12 0.00 C ATOM 2015 CD2 TYR A 130 19.559 6.930 -3.927 0.25 0.00 C ATOM 2016 CE1 TYR A 130 18.357 4.461 -4.197 1.00 0.00 C ATOM 2017 CE2 TYR A 130 19.318 6.415 -5.187 1.00 0.00 C ATOM 2018 CZ TYR A 130 18.718 5.181 -5.317 0.19 0.00 C ATOM 2019 OH TYR A 130 18.475 4.665 -6.569 0.25 0.00 O ATOM 0 H TYR A 130 20.119 7.340 0.904 1.00 0.00 H new ATOM 0 HA TYR A 130 20.881 5.273 -0.836 0.08 0.00 H new ATOM 0 HB2 TYR A 130 18.673 6.476 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 130 19.438 7.877 -1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 130 18.319 4.417 -2.065 0.12 0.00 H new ATOM 0 HD2 TYR A 130 20.030 7.897 -3.829 0.25 0.00 H new ATOM 0 HE1 TYR A 130 17.886 3.495 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 130 19.599 6.977 -6.066 1.00 0.00 H new ATOM 0 HH TYR A 130 18.788 5.297 -7.250 0.25 0.00 H new ATOM 2029 N GLN A 131 22.526 8.043 -1.183 0.12 0.00 N ATOM 2030 CA GLN A 131 23.631 8.692 -1.880 0.28 0.00 C ATOM 2031 C GLN A 131 24.966 8.307 -1.254 0.10 0.00 C ATOM 2032 O GLN A 131 25.834 7.738 -1.917 1.00 0.00 O ATOM 2033 CB GLN A 131 23.465 10.210 -1.830 0.99 0.00 C ATOM 2034 CG GLN A 131 22.136 10.700 -2.380 1.00 0.00 C ATOM 2035 CD GLN A 131 22.078 10.663 -3.895 0.11 0.00 C ATOM 2036 OE1 GLN A 131 21.617 9.545 -4.442 0.14 0.00 O flip ATOM 2037 NE2 GLN A 131 22.442 11.628 -4.567 0.89 0.00 N flip ATOM 0 H GLN A 131 22.236 8.513 -0.325 0.12 0.00 H new ATOM 0 HA GLN A 131 23.620 8.359 -2.918 0.28 0.00 H new ATOM 0 HB2 GLN A 131 23.565 10.543 -0.797 0.99 0.00 H new ATOM 0 HB3 GLN A 131 24.274 10.673 -2.394 0.99 0.00 H new ATOM 0 HG2 GLN A 131 21.332 10.086 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 131 21.961 11.720 -2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 131 22.790 12.469 -4.106 0.89 0.00 H new ATOM 0 HE22 GLN A 131 22.396 11.587 -5.585 0.89 0.00 H new ATOM 2046 N GLU A 132 25.122 8.628 0.029 1.00 0.00 N ATOM 2047 CA GLU A 132 26.350 8.320 0.757 0.89 0.00 C ATOM 2048 C GLU A 132 26.706 6.841 0.637 0.77 0.00 C ATOM 2049 O GLU A 132 27.565 6.463 -0.161 0.65 0.00 O ATOM 2050 CB GLU A 132 26.207 8.703 2.233 0.06 0.00 C ATOM 2051 CG GLU A 132 25.909 10.177 2.457 0.67 0.00 C ATOM 2052 CD GLU A 132 25.893 10.551 3.925 0.29 0.00 C ATOM 2053 OE1 GLU A 132 24.887 10.255 4.603 0.72 0.00 O ATOM 2054 OE2 GLU A 132 26.887 11.141 4.398 1.00 0.00 O ATOM 0 H GLU A 132 24.411 9.102 0.586 1.00 0.00 H new ATOM 0 HA GLU A 132 27.156 8.904 0.313 0.89 0.00 H new ATOM 0 HB2 GLU A 132 25.409 8.109 2.678 0.06 0.00 H new ATOM 0 HB3 GLU A 132 27.127 8.444 2.757 0.06 0.00 H new ATOM 0 HG2 GLU A 132 26.658 10.778 1.941 0.67 0.00 H new ATOM 0 HG3 GLU A 132 24.944 10.420 2.013 0.67 0.00 H new ATOM 2061 N ASN A 133 26.040 6.008 1.432 0.36 0.00 N ATOM 2062 CA ASN A 133 26.289 4.571 1.416 0.11 0.00 C ATOM 2063 C ASN A 133 25.048 3.807 0.969 1.00 0.00 C ATOM 2064 O ASN A 133 24.159 3.525 1.770 0.87 0.00 O ATOM 2065 CB ASN A 133 26.723 4.093 2.803 1.00 0.00 C ATOM 2066 CG ASN A 133 28.099 4.602 3.187 0.30 0.00 C ATOM 2067 OD1 ASN A 133 29.111 3.953 2.922 0.34 0.00 O ATOM 2068 ND2 ASN A 133 28.143 5.770 3.817 0.06 0.00 N ATOM 0 H ASN A 133 25.324 6.304 2.095 0.36 0.00 H new ATOM 0 HA ASN A 133 27.090 4.375 0.703 0.11 0.00 H new ATOM 0 HB2 ASN A 133 25.996 4.427 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 133 26.723 3.003 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 133 29.040 6.163 4.101 0.06 0.00 H new ATOM 0 HD22 ASN A 133 27.279 6.275 4.017 0.06 0.00 H new ATOM 2075 N LYS A 134 24.995 3.479 -0.318 0.13 0.00 N ATOM 2076 CA LYS A 134 23.865 2.744 -0.873 0.05 0.00 C ATOM 2077 C LYS A 134 23.859 1.305 -0.366 1.00 0.00 C ATOM 2078 O LYS A 134 22.829 0.632 -0.386 1.00 0.00 O ATOM 2079 CB LYS A 134 23.921 2.762 -2.403 0.07 0.00 C ATOM 2080 CG LYS A 134 22.722 2.104 -3.066 0.16 0.00 C ATOM 2081 CD LYS A 134 22.878 2.057 -4.578 0.57 0.00 C ATOM 2082 CE LYS A 134 21.674 1.404 -5.239 0.05 0.00 C ATOM 2083 NZ LYS A 134 20.433 2.200 -5.039 0.21 0.00 N ATOM 0 H LYS A 134 25.721 3.711 -0.996 0.13 0.00 H new ATOM 0 HA LYS A 134 22.946 3.230 -0.547 0.05 0.00 H new ATOM 0 HB2 LYS A 134 23.991 3.795 -2.743 0.07 0.00 H new ATOM 0 HB3 LYS A 134 24.829 2.256 -2.731 0.07 0.00 H new ATOM 0 HG2 LYS A 134 22.601 1.092 -2.680 0.16 0.00 H new ATOM 0 HG3 LYS A 134 21.816 2.653 -2.809 0.16 0.00 H new ATOM 0 HD2 LYS A 134 23.003 3.069 -4.964 0.57 0.00 H new ATOM 0 HD3 LYS A 134 23.781 1.504 -4.835 0.57 0.00 H new ATOM 0 HE2 LYS A 134 21.864 1.289 -6.306 0.05 0.00 H new ATOM 0 HE3 LYS A 134 21.534 0.403 -4.830 0.05 0.00 H new ATOM 0 HZ1 LYS A 134 19.985 2.382 -5.960 0.21 0.00 H new ATOM 0 HZ2 LYS A 134 19.775 1.670 -4.432 0.21 0.00 H new ATOM 0 HZ3 LYS A 134 20.670 3.105 -4.585 0.21 0.00 H new ATOM 2097 N ARG A 135 25.018 0.843 0.091 0.86 0.00 N ATOM 2098 CA ARG A 135 25.152 -0.514 0.604 0.19 0.00 C ATOM 2099 C ARG A 135 24.407 -0.675 1.927 1.00 0.00 C ATOM 2100 O ARG A 135 23.811 -1.718 2.189 0.20 0.00 O ATOM 2101 CB ARG A 135 26.628 -0.871 0.791 1.00 0.00 C ATOM 2102 CG ARG A 135 26.853 -2.301 1.253 0.76 0.00 C ATOM 2103 CD ARG A 135 28.331 -2.599 1.445 0.10 0.00 C ATOM 2104 NE ARG A 135 28.933 -1.746 2.464 0.49 0.00 N ATOM 2105 CZ ARG A 135 30.100 -2.001 3.045 0.05 0.00 C ATOM 2106 NH1 ARG A 135 30.796 -3.076 2.697 0.76 0.00 N ATOM 2107 NH2 ARG A 135 30.575 -1.180 3.972 0.67 0.00 N ATOM 0 H ARG A 135 25.879 1.390 0.116 0.86 0.00 H new ATOM 0 HA ARG A 135 24.711 -1.193 -0.126 0.19 0.00 H new ATOM 0 HB2 ARG A 135 27.153 -0.715 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 135 27.069 -0.189 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 135 26.322 -2.469 2.190 0.76 0.00 H new ATOM 0 HG3 ARG A 135 26.434 -2.991 0.521 0.76 0.00 H new ATOM 0 HD2 ARG A 135 28.456 -3.644 1.727 0.10 0.00 H new ATOM 0 HD3 ARG A 135 28.855 -2.459 0.499 0.10 0.00 H new ATOM 0 HE ARG A 135 28.429 -0.906 2.747 0.49 0.00 H new ATOM 0 HH11 ARG A 135 30.435 -3.708 1.982 0.76 0.00 H new ATOM 0 HH12 ARG A 135 31.692 -3.270 3.144 0.76 0.00 H new ATOM 0 HH21 ARG A 135 30.044 -0.351 4.240 0.67 0.00 H new ATOM 0 HH22 ARG A 135 31.471 -1.377 4.417 0.67 0.00 H new ATOM 2121 N GLU A 136 24.445 0.363 2.758 0.37 0.00 N ATOM 2122 CA GLU A 136 23.774 0.325 4.053 0.67 0.00 C ATOM 2123 C GLU A 136 22.262 0.220 3.883 0.15 0.00 C ATOM 2124 O GLU A 136 21.564 -0.306 4.750 0.16 0.00 O ATOM 2125 CB GLU A 136 24.125 1.569 4.872 0.62 0.00 C ATOM 2126 CG GLU A 136 25.617 1.734 5.124 1.00 0.00 C ATOM 2127 CD GLU A 136 26.210 0.576 5.902 0.81 0.00 C ATOM 2128 OE1 GLU A 136 26.606 -0.424 5.266 0.98 0.00 O ATOM 2129 OE2 GLU A 136 26.278 0.669 7.146 0.55 0.00 O ATOM 0 H GLU A 136 24.931 1.237 2.559 0.37 0.00 H new ATOM 0 HA GLU A 136 24.121 -0.560 4.586 0.67 0.00 H new ATOM 0 HB2 GLU A 136 23.753 2.452 4.352 0.62 0.00 H new ATOM 0 HB3 GLU A 136 23.607 1.521 5.830 0.62 0.00 H new ATOM 0 HG2 GLU A 136 26.134 1.828 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 136 25.789 2.660 5.672 1.00 0.00 H new ATOM 2136 N TYR A 137 21.764 0.727 2.759 0.19 0.00 N ATOM 2137 CA TYR A 137 20.332 0.702 2.471 0.05 0.00 C ATOM 2138 C TYR A 137 19.884 -0.676 1.988 0.11 0.00 C ATOM 2139 O TYR A 137 18.935 -1.251 2.520 0.46 0.00 O ATOM 2140 CB TYR A 137 19.991 1.761 1.420 0.91 0.00 C ATOM 2141 CG TYR A 137 18.509 1.895 1.139 1.00 0.00 C ATOM 2142 CD1 TYR A 137 17.720 2.773 1.873 0.83 0.00 C ATOM 2143 CD2 TYR A 137 17.900 1.147 0.140 0.10 0.00 C ATOM 2144 CE1 TYR A 137 16.369 2.901 1.618 0.14 0.00 C ATOM 2145 CE2 TYR A 137 16.548 1.270 -0.122 0.25 0.00 C ATOM 2146 CZ TYR A 137 15.788 2.147 0.620 1.00 0.00 C ATOM 2147 OH TYR A 137 14.442 2.274 0.363 0.07 0.00 O ATOM 0 H TYR A 137 22.331 1.161 2.031 0.19 0.00 H new ATOM 0 HA TYR A 137 19.799 0.924 3.396 0.05 0.00 H new ATOM 0 HB2 TYR A 137 20.376 2.725 1.752 0.91 0.00 H new ATOM 0 HB3 TYR A 137 20.506 1.515 0.491 0.91 0.00 H new ATOM 0 HD1 TYR A 137 18.171 3.365 2.656 0.83 0.00 H new ATOM 0 HD2 TYR A 137 18.493 0.457 -0.442 0.10 0.00 H new ATOM 0 HE1 TYR A 137 15.770 3.588 2.197 0.14 0.00 H new ATOM 0 HE2 TYR A 137 16.091 0.682 -0.904 0.25 0.00 H new ATOM 0 HH TYR A 137 13.932 1.783 1.040 0.07 0.00 H new ATOM 2157 N GLU A 138 20.573 -1.200 0.977 0.11 0.00 N ATOM 2158 CA GLU A 138 20.238 -2.506 0.414 1.00 0.00 C ATOM 2159 C GLU A 138 20.319 -3.607 1.468 0.10 0.00 C ATOM 2160 O GLU A 138 19.520 -4.543 1.459 0.07 0.00 O ATOM 2161 CB GLU A 138 21.164 -2.835 -0.758 0.10 0.00 C ATOM 2162 CG GLU A 138 22.637 -2.876 -0.382 0.37 0.00 C ATOM 2163 CD GLU A 138 23.530 -3.192 -1.566 0.34 0.00 C ATOM 2164 OE1 GLU A 138 23.934 -2.246 -2.274 1.00 0.00 O ATOM 2165 OE2 GLU A 138 23.825 -4.387 -1.786 0.12 0.00 O ATOM 0 H GLU A 138 21.367 -0.740 0.531 0.11 0.00 H new ATOM 0 HA GLU A 138 19.210 -2.457 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 138 20.878 -3.800 -1.175 0.10 0.00 H new ATOM 0 HB3 GLU A 138 21.019 -2.093 -1.543 0.10 0.00 H new ATOM 0 HG2 GLU A 138 22.927 -1.915 0.042 0.37 0.00 H new ATOM 0 HG3 GLU A 138 22.790 -3.626 0.394 0.37 0.00 H new ATOM 2172 N LYS A 139 21.286 -3.492 2.375 0.37 0.00 N ATOM 2173 CA LYS A 139 21.466 -4.484 3.429 0.20 0.00 C ATOM 2174 C LYS A 139 20.232 -4.571 4.321 0.29 0.00 C ATOM 2175 O LYS A 139 19.888 -5.645 4.815 1.00 0.00 O ATOM 2176 CB LYS A 139 22.696 -4.148 4.275 1.00 0.00 C ATOM 2177 CG LYS A 139 24.018 -4.415 3.570 0.07 0.00 C ATOM 2178 CD LYS A 139 24.235 -5.901 3.319 0.25 0.00 C ATOM 2179 CE LYS A 139 24.384 -6.672 4.622 0.30 0.00 C ATOM 2180 NZ LYS A 139 25.487 -6.131 5.464 0.07 0.00 N ATOM 0 H LYS A 139 21.955 -2.723 2.400 0.37 0.00 H new ATOM 0 HA LYS A 139 21.614 -5.453 2.952 0.20 0.00 H new ATOM 0 HB2 LYS A 139 22.653 -3.097 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.662 -4.730 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 139 24.038 -3.879 2.621 0.07 0.00 H new ATOM 0 HG3 LYS A 139 24.837 -4.025 4.174 0.07 0.00 H new ATOM 0 HD2 LYS A 139 23.394 -6.302 2.752 0.25 0.00 H new ATOM 0 HD3 LYS A 139 25.127 -6.041 2.708 0.25 0.00 H new ATOM 0 HE2 LYS A 139 23.448 -6.629 5.178 0.30 0.00 H new ATOM 0 HE3 LYS A 139 24.576 -7.722 4.403 0.30 0.00 H new ATOM 0 HZ1 LYS A 139 25.726 -6.819 6.207 0.07 0.00 H new ATOM 0 HZ2 LYS A 139 26.323 -5.958 4.871 0.07 0.00 H new ATOM 0 HZ3 LYS A 139 25.183 -5.239 5.903 0.07 0.00 H new ATOM 2194 N ARG A 140 19.570 -3.438 4.521 1.00 0.00 N ATOM 2195 CA ARG A 140 18.376 -3.389 5.359 1.00 0.00 C ATOM 2196 C ARG A 140 17.165 -3.968 4.632 1.00 0.00 C ATOM 2197 O ARG A 140 16.357 -4.680 5.228 0.56 0.00 O ATOM 2198 CB ARG A 140 18.090 -1.948 5.790 0.79 0.00 C ATOM 2199 CG ARG A 140 16.836 -1.799 6.637 0.26 0.00 C ATOM 2200 CD ARG A 140 16.951 -2.559 7.951 0.83 0.00 C ATOM 2201 NE ARG A 140 18.033 -2.050 8.788 1.00 0.00 N ATOM 2202 CZ ARG A 140 18.488 -2.677 9.868 1.00 0.00 C ATOM 2203 NH1 ARG A 140 17.965 -3.840 10.233 0.80 0.00 N ATOM 2204 NH2 ARG A 140 19.469 -2.143 10.584 1.00 0.00 N ATOM 0 H ARG A 140 19.838 -2.541 4.115 1.00 0.00 H new ATOM 0 HA ARG A 140 18.563 -3.997 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 140 18.944 -1.570 6.352 0.79 0.00 H new ATOM 0 HB3 ARG A 140 17.993 -1.325 4.901 0.79 0.00 H new ATOM 0 HG2 ARG A 140 16.658 -0.743 6.842 0.26 0.00 H new ATOM 0 HG3 ARG A 140 15.974 -2.165 6.079 0.26 0.00 H new ATOM 0 HD2 ARG A 140 16.009 -2.487 8.494 0.83 0.00 H new ATOM 0 HD3 ARG A 140 17.120 -3.616 7.744 0.83 0.00 H new ATOM 0 HE ARG A 140 18.464 -1.163 8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 140 17.212 -4.255 9.684 0.80 0.00 H new ATOM 0 HH12 ARG A 140 18.316 -4.319 11.062 0.80 0.00 H new ATOM 0 HH21 ARG A 140 19.875 -1.250 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 140 19.817 -2.626 11.413 1.00 0.00 H new ATOM 2218 N VAL A 141 17.045 -3.660 3.344 0.81 0.00 N ATOM 2219 CA VAL A 141 15.930 -4.147 2.541 0.18 0.00 C ATOM 2220 C VAL A 141 15.900 -5.671 2.496 1.00 0.00 C ATOM 2221 O VAL A 141 14.830 -6.281 2.484 0.18 0.00 O ATOM 2222 CB VAL A 141 15.995 -3.602 1.100 0.06 0.00 C ATOM 2223 CG1 VAL A 141 14.807 -4.091 0.285 0.19 0.00 C ATOM 2224 CG2 VAL A 141 16.054 -2.082 1.107 1.00 0.00 C ATOM 0 H VAL A 141 17.707 -3.075 2.834 0.81 0.00 H new ATOM 0 HA VAL A 141 15.019 -3.786 3.019 0.18 0.00 H new ATOM 0 HB VAL A 141 16.905 -3.978 0.632 0.06 0.00 H new ATOM 0 HG11 VAL A 141 14.873 -3.695 -0.728 0.19 0.00 H new ATOM 0 HG12 VAL A 141 14.814 -5.180 0.250 0.19 0.00 H new ATOM 0 HG13 VAL A 141 13.882 -3.749 0.749 0.19 0.00 H new ATOM 0 HG21 VAL A 141 16.099 -1.715 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 141 15.164 -1.686 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 141 16.941 -1.755 1.649 1.00 0.00 H new ATOM 2234 N SER A 142 17.078 -6.281 2.474 0.49 0.00 N ATOM 2235 CA SER A 142 17.186 -7.736 2.430 0.35 0.00 C ATOM 2236 C SER A 142 16.729 -8.362 3.744 0.05 0.00 C ATOM 2237 O SER A 142 16.212 -9.478 3.762 0.22 0.00 O ATOM 2238 CB SER A 142 18.626 -8.152 2.130 0.07 0.00 C ATOM 2239 OG SER A 142 19.048 -7.659 0.870 0.22 0.00 O ATOM 0 H SER A 142 17.973 -5.792 2.486 0.49 0.00 H new ATOM 0 HA SER A 142 16.535 -8.096 1.634 0.35 0.00 H new ATOM 0 HB2 SER A 142 19.287 -7.776 2.911 0.07 0.00 H new ATOM 0 HB3 SER A 142 18.704 -9.239 2.143 0.07 0.00 H new ATOM 0 HG SER A 142 19.222 -6.697 0.937 0.22 0.00 H new ATOM 2245 N ALA A 143 16.924 -7.636 4.840 0.11 0.00 N ATOM 2246 CA ALA A 143 16.538 -8.124 6.161 0.34 0.00 C ATOM 2247 C ALA A 143 15.025 -8.063 6.361 0.07 0.00 C ATOM 2248 O ALA A 143 14.395 -9.070 6.692 1.00 0.00 O ATOM 2249 CB ALA A 143 17.243 -7.321 7.242 0.37 0.00 C ATOM 0 H ALA A 143 17.347 -6.708 4.841 0.11 0.00 H new ATOM 0 HA ALA A 143 16.842 -9.168 6.233 0.34 0.00 H new ATOM 0 HB1 ALA A 143 16.948 -7.694 8.223 0.37 0.00 H new ATOM 0 HB2 ALA A 143 18.322 -7.422 7.125 0.37 0.00 H new ATOM 0 HB3 ALA A 143 16.966 -6.271 7.154 0.37 0.00 H new ATOM 2255 N ILE A 144 14.452 -6.881 6.162 0.75 0.00 N ATOM 2256 CA ILE A 144 13.015 -6.682 6.330 1.00 0.00 C ATOM 2257 C ILE A 144 12.207 -7.621 5.441 1.00 0.00 C ATOM 2258 O ILE A 144 11.190 -8.170 5.867 1.00 0.00 O ATOM 2259 CB ILE A 144 12.606 -5.230 6.013 0.39 0.00 C ATOM 2260 CG1 ILE A 144 13.094 -4.834 4.616 0.06 0.00 C ATOM 2261 CG2 ILE A 144 13.158 -4.281 7.066 1.00 0.00 C ATOM 2262 CD1 ILE A 144 12.438 -3.585 4.072 1.00 0.00 C ATOM 0 H ILE A 144 14.962 -6.043 5.883 0.75 0.00 H new ATOM 0 HA ILE A 144 12.797 -6.902 7.375 1.00 0.00 H new ATOM 0 HB ILE A 144 11.518 -5.162 6.029 0.39 0.00 H new ATOM 0 HG12 ILE A 144 14.173 -4.682 4.648 0.06 0.00 H new ATOM 0 HG13 ILE A 144 12.908 -5.659 3.929 0.06 0.00 H new ATOM 0 HG21 ILE A 144 12.860 -3.260 6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 144 12.764 -4.555 8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 144 14.246 -4.348 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 144 12.834 -3.368 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 144 11.361 -3.739 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 144 12.645 -2.746 4.737 1.00 0.00 H new ATOM 2274 N VAL A 145 12.663 -7.802 4.208 0.21 0.00 N ATOM 2275 CA VAL A 145 11.973 -8.665 3.260 0.58 0.00 C ATOM 2276 C VAL A 145 12.144 -10.136 3.627 1.00 0.00 C ATOM 2277 O VAL A 145 11.266 -10.958 3.361 0.23 0.00 O ATOM 2278 CB VAL A 145 12.467 -8.418 1.819 1.00 0.00 C ATOM 2279 CG1 VAL A 145 13.725 -9.218 1.517 0.48 0.00 C ATOM 2280 CG2 VAL A 145 11.366 -8.732 0.820 1.00 0.00 C ATOM 0 H VAL A 145 13.508 -7.362 3.842 0.21 0.00 H new ATOM 0 HA VAL A 145 10.913 -8.418 3.309 0.58 0.00 H new ATOM 0 HB VAL A 145 12.724 -7.363 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 145 14.045 -9.020 0.494 0.48 0.00 H new ATOM 0 HG12 VAL A 145 14.516 -8.926 2.208 0.48 0.00 H new ATOM 0 HG13 VAL A 145 13.516 -10.282 1.633 0.48 0.00 H new ATOM 0 HG21 VAL A 145 11.730 -8.553 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 145 11.071 -9.777 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 145 10.505 -8.092 1.014 1.00 0.00 H new ATOM 2290 N GLU A 146 13.281 -10.460 4.238 0.87 0.00 N ATOM 2291 CA GLU A 146 13.565 -11.830 4.650 0.50 0.00 C ATOM 2292 C GLU A 146 12.557 -12.297 5.695 0.96 0.00 C ATOM 2293 O GLU A 146 12.205 -13.476 5.752 0.14 0.00 O ATOM 2294 CB GLU A 146 14.985 -11.935 5.211 0.49 0.00 C ATOM 2295 CG GLU A 146 15.360 -13.337 5.670 1.00 0.00 C ATOM 2296 CD GLU A 146 16.776 -13.417 6.205 0.07 0.00 C ATOM 2297 OE1 GLU A 146 16.968 -13.180 7.417 0.52 0.00 O ATOM 2298 OE2 GLU A 146 17.693 -13.718 5.413 0.05 0.00 O ATOM 0 H GLU A 146 14.020 -9.792 4.458 0.87 0.00 H new ATOM 0 HA GLU A 146 13.483 -12.473 3.774 0.50 0.00 H new ATOM 0 HB2 GLU A 146 15.692 -11.611 4.448 0.49 0.00 H new ATOM 0 HB3 GLU A 146 15.086 -11.248 6.051 0.49 0.00 H new ATOM 0 HG2 GLU A 146 14.664 -13.660 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 146 15.251 -14.030 4.835 1.00 0.00 H new ATOM 2305 N GLN A 147 12.095 -11.363 6.519 1.00 0.00 N ATOM 2306 CA GLN A 147 11.127 -11.672 7.564 0.26 0.00 C ATOM 2307 C GLN A 147 9.783 -12.069 6.960 0.76 0.00 C ATOM 2308 O GLN A 147 8.998 -12.783 7.585 0.07 0.00 O ATOM 2309 CB GLN A 147 10.949 -10.473 8.496 0.06 0.00 C ATOM 2310 CG GLN A 147 12.235 -10.035 9.181 0.28 0.00 C ATOM 2311 CD GLN A 147 12.857 -11.137 10.014 1.00 0.00 C ATOM 2312 OE1 GLN A 147 13.660 -11.927 9.519 0.06 0.00 O ATOM 2313 NE2 GLN A 147 12.489 -11.195 11.290 0.05 0.00 N ATOM 0 H GLN A 147 12.376 -10.383 6.483 1.00 0.00 H new ATOM 0 HA GLN A 147 11.508 -12.515 8.140 0.26 0.00 H new ATOM 0 HB2 GLN A 147 10.549 -9.636 7.924 0.06 0.00 H new ATOM 0 HB3 GLN A 147 10.209 -10.722 9.257 0.06 0.00 H new ATOM 0 HG2 GLN A 147 12.950 -9.707 8.427 0.28 0.00 H new ATOM 0 HG3 GLN A 147 12.028 -9.176 9.819 0.28 0.00 H new ATOM 0 HE21 GLN A 147 11.820 -10.519 11.659 0.05 0.00 H new ATOM 0 HE22 GLN A 147 12.876 -11.915 11.900 0.05 0.00 H new ATOM 2322 N SER A 148 9.527 -11.603 5.741 0.48 0.00 N ATOM 2323 CA SER A 148 8.279 -11.909 5.052 0.21 0.00 C ATOM 2324 C SER A 148 8.440 -13.133 4.157 1.00 0.00 C ATOM 2325 O SER A 148 7.477 -13.606 3.553 0.22 0.00 O ATOM 2326 CB SER A 148 7.824 -10.708 4.220 0.08 0.00 C ATOM 2327 OG SER A 148 7.606 -9.572 5.039 0.06 0.00 O ATOM 0 H SER A 148 10.168 -11.012 5.211 0.48 0.00 H new ATOM 0 HA SER A 148 7.521 -12.128 5.804 0.21 0.00 H new ATOM 0 HB2 SER A 148 8.577 -10.478 3.467 0.08 0.00 H new ATOM 0 HB3 SER A 148 6.906 -10.958 3.687 0.08 0.00 H new ATOM 0 HG SER A 148 7.318 -8.818 4.483 0.06 0.00 H new ATOM 2333 N TRP A 149 9.666 -13.640 4.080 1.00 0.00 N ATOM 2334 CA TRP A 149 9.965 -14.812 3.264 0.10 0.00 C ATOM 2335 C TRP A 149 9.527 -16.094 3.965 1.00 0.00 C ATOM 2336 O TRP A 149 8.859 -16.048 4.998 1.00 0.00 O ATOM 2337 CB TRP A 149 11.462 -14.872 2.953 0.14 0.00 C ATOM 2338 CG TRP A 149 11.785 -14.579 1.520 0.34 0.00 C ATOM 2339 CD1 TRP A 149 11.687 -13.375 0.884 0.27 0.00 C ATOM 2340 CD2 TRP A 149 12.259 -15.511 0.542 0.10 0.00 C ATOM 2341 NE1 TRP A 149 12.071 -13.501 -0.428 1.00 0.00 N ATOM 2342 CE2 TRP A 149 12.426 -14.804 -0.663 0.10 0.00 C ATOM 2343 CE3 TRP A 149 12.558 -16.877 0.568 0.84 0.00 C ATOM 2344 CZ2 TRP A 149 12.879 -15.416 -1.829 0.18 0.00 C ATOM 2345 CZ3 TRP A 149 13.008 -17.483 -0.589 0.44 0.00 C ATOM 2346 CH2 TRP A 149 13.166 -16.753 -1.774 0.30 0.00 C ATOM 0 H TRP A 149 10.471 -13.256 4.575 1.00 0.00 H new ATOM 0 HA TRP A 149 9.409 -14.725 2.331 0.10 0.00 H new ATOM 0 HB2 TRP A 149 11.986 -14.159 3.589 0.14 0.00 H new ATOM 0 HB3 TRP A 149 11.839 -15.863 3.207 0.14 0.00 H new ATOM 0 HD1 TRP A 149 11.356 -12.457 1.346 0.27 0.00 H new ATOM 0 HE1 TRP A 149 12.089 -12.748 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 149 12.439 -17.448 1.477 0.84 0.00 H new ATOM 0 HZ2 TRP A 149 13.000 -14.855 -2.744 0.18 0.00 H new ATOM 0 HZ3 TRP A 149 13.242 -18.537 -0.580 0.44 0.00 H new ATOM 0 HH2 TRP A 149 13.521 -17.255 -2.662 0.30 0.00 H new