USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1235 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 73 LYS NZ :NH3+ -160:sc= 0.42 (180deg=0.24) USER MOD Set 1.2: A 147 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 75 TYR OH : rot -128:sc= 0.753 USER MOD Set 2.2: A 139 ASN : amide:sc= 0.904 K(o=1.7,f=-1.2) USER MOD Set 3.1: A 99 THR OG1 : rot 180:sc= -0.0581 USER MOD Set 3.2: A 103 GLN : amide:sc= -0.0557 X(o=-0.11,f=-0.56) USER MOD Set 4.1: A 91 SER OG : rot 160:sc= 0.0147 USER MOD Set 4.2: A 94 ASN : amide:sc=-0.00184 X(o=0.013,f=0.015) USER MOD Set 5.1: A 31 ASN : amide:sc= 0.569 K(o=1.5,f=-1.5!) USER MOD Set 5.2: A 34 THR OG1 : rot 87:sc= 0.917 USER MOD Set 6.1: A 24 ASN : amide:sc= 0.514 K(o=1.2,f=-3.2!) USER MOD Set 6.2: A 26 GLN : amide:sc= 0.678 K(o=1.2,f=-1.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 0.54 (180deg=0.376) USER MOD Single : A 21 ASN : amide:sc= 1.25 K(o=1.3,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.00037) USER MOD Single : A 61 TYR OH : rot -37:sc= -0.0852 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 0.591 (180deg=0.227) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 72 THR OG1 : rot 110:sc= 0.297 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.464 F(o=-2,f=-0.46) USER MOD Single : A 78 ASN : amide:sc= -2.78 K(o=-2.8,f=-5.7!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0763) USER MOD Single : A 84 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= -2.3! (180deg=-2.38!) USER MOD Single : A 101 THR OG1 : rot 173:sc= 1.6 USER MOD Single : A 106 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.67) USER MOD Single : A 107 SER OG : rot -140:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.37 K(o=1.4,f=-7.4!) USER MOD Single : A 116 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.37) USER MOD Single : A 119 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.058) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.648) USER MOD Single : A 134 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00623) USER MOD Single : A 135 LYS NZ :NH3+ -175:sc= 0.0724 (180deg=0.0457) USER MOD Single : A 137 CYS SG : rot 84:sc= 0.121 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 83:sc= 0.618 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -124:sc= 1.16 (180deg=-0.536) USER MOD Single : A 150 LYS NZ :NH3+ -144:sc= -0.0525 (180deg=-0.642) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.391 -0.558 7.736 1.00 0.46 N ATOM 31 CA ALA A 3 -18.269 -0.375 6.836 1.00 0.41 C ATOM 32 C ALA A 3 -18.251 -1.469 5.774 1.00 0.32 C ATOM 33 O ALA A 3 -18.109 -1.156 4.602 1.00 0.34 O ATOM 34 CB ALA A 3 -16.962 -0.358 7.630 1.00 0.46 C ATOM 0 HA ALA A 3 -18.375 0.582 6.326 1.00 0.41 H new ATOM 0 HB1 ALA A 3 -16.123 -0.220 6.947 1.00 0.46 H new ATOM 0 HB2 ALA A 3 -16.983 0.461 8.349 1.00 0.46 H new ATOM 0 HB3 ALA A 3 -16.846 -1.303 8.161 1.00 0.46 H new ATOM 40 N SER A 4 -18.423 -2.736 6.158 1.00 0.30 N ATOM 41 CA SER A 4 -18.317 -3.882 5.259 1.00 0.28 C ATOM 42 C SER A 4 -19.224 -3.730 4.046 1.00 0.29 C ATOM 43 O SER A 4 -18.854 -4.103 2.939 1.00 0.35 O ATOM 44 CB SER A 4 -18.590 -5.194 6.004 1.00 0.30 C ATOM 45 OG SER A 4 -19.960 -5.532 6.063 1.00 1.16 O ATOM 0 H SER A 4 -18.644 -2.996 7.119 1.00 0.30 H new ATOM 0 HA SER A 4 -17.292 -3.917 4.890 1.00 0.28 H new ATOM 0 HB2 SER A 4 -18.045 -6.001 5.514 1.00 0.30 H new ATOM 0 HB3 SER A 4 -18.199 -5.115 7.018 1.00 0.30 H new ATOM 0 HG SER A 4 -20.068 -6.377 6.548 1.00 1.16 H new ATOM 51 N ARG A 5 -20.414 -3.159 4.241 1.00 0.30 N ATOM 52 CA ARG A 5 -21.362 -2.996 3.147 1.00 0.35 C ATOM 53 C ARG A 5 -20.771 -2.088 2.087 1.00 0.38 C ATOM 54 O ARG A 5 -20.854 -2.366 0.891 1.00 0.49 O ATOM 55 CB ARG A 5 -22.679 -2.417 3.674 1.00 0.41 C ATOM 56 CG ARG A 5 -23.216 -3.252 4.840 1.00 0.81 C ATOM 57 CD ARG A 5 -24.678 -2.890 5.120 1.00 1.23 C ATOM 58 NE ARG A 5 -25.462 -4.081 5.493 1.00 1.77 N ATOM 59 CZ ARG A 5 -25.815 -5.067 4.650 1.00 2.34 C ATOM 60 NH1 ARG A 5 -26.476 -6.134 5.099 1.00 2.89 N ATOM 61 NH2 ARG A 5 -25.499 -4.986 3.357 1.00 3.09 N ATOM 0 H ARG A 5 -20.739 -2.805 5.141 1.00 0.30 H new ATOM 0 HA ARG A 5 -21.566 -3.970 2.702 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -22.524 -1.388 3.999 1.00 0.41 H new ATOM 0 HB3 ARG A 5 -23.416 -2.390 2.871 1.00 0.41 H new ATOM 0 HG2 ARG A 5 -23.135 -4.313 4.605 1.00 0.81 H new ATOM 0 HG3 ARG A 5 -22.613 -3.076 5.731 1.00 0.81 H new ATOM 0 HD2 ARG A 5 -24.725 -2.154 5.923 1.00 1.23 H new ATOM 0 HD3 ARG A 5 -25.116 -2.426 4.236 1.00 1.23 H new ATOM 0 HE ARG A 5 -25.760 -4.163 6.465 1.00 1.77 H new ATOM 0 HH11 ARG A 5 -26.717 -6.206 6.088 1.00 2.89 H new ATOM 0 HH12 ARG A 5 -26.741 -6.878 4.454 1.00 2.89 H new ATOM 0 HH21 ARG A 5 -24.989 -4.175 3.006 1.00 3.09 H new ATOM 0 HH22 ARG A 5 -25.767 -5.735 2.719 1.00 3.09 H new ATOM 75 N ARG A 6 -20.187 -0.984 2.543 1.00 0.35 N ATOM 76 CA ARG A 6 -19.549 -0.042 1.648 1.00 0.42 C ATOM 77 C ARG A 6 -18.358 -0.720 1.002 1.00 0.45 C ATOM 78 O ARG A 6 -18.250 -0.702 -0.211 1.00 0.64 O ATOM 79 CB ARG A 6 -19.162 1.222 2.415 1.00 0.46 C ATOM 80 CG ARG A 6 -20.426 1.974 2.848 1.00 0.62 C ATOM 81 CD ARG A 6 -20.041 3.048 3.863 1.00 1.16 C ATOM 82 NE ARG A 6 -20.880 4.252 3.771 1.00 1.47 N ATOM 83 CZ ARG A 6 -20.799 5.176 2.803 1.00 1.57 C ATOM 84 NH1 ARG A 6 -21.529 6.289 2.883 1.00 2.49 N ATOM 85 NH2 ARG A 6 -19.994 4.987 1.754 1.00 2.44 N ATOM 0 H ARG A 6 -20.146 -0.725 3.529 1.00 0.35 H new ATOM 0 HA ARG A 6 -20.232 0.267 0.857 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -18.566 0.960 3.289 1.00 0.46 H new ATOM 0 HB3 ARG A 6 -18.543 1.864 1.788 1.00 0.46 H new ATOM 0 HG2 ARG A 6 -20.909 2.429 1.983 1.00 0.62 H new ATOM 0 HG3 ARG A 6 -21.145 1.282 3.286 1.00 0.62 H new ATOM 0 HD2 ARG A 6 -20.118 2.634 4.868 1.00 1.16 H new ATOM 0 HD3 ARG A 6 -18.998 3.326 3.712 1.00 1.16 H new ATOM 0 HE ARG A 6 -21.578 4.395 4.501 1.00 1.47 H new ATOM 0 HH11 ARG A 6 -22.148 6.437 3.680 1.00 2.49 H new ATOM 0 HH12 ARG A 6 -21.468 6.993 2.147 1.00 2.49 H new ATOM 0 HH21 ARG A 6 -19.436 4.136 1.686 1.00 2.44 H new ATOM 0 HH22 ARG A 6 -19.937 5.694 1.021 1.00 2.44 H new ATOM 99 N LEU A 7 -17.493 -1.345 1.793 1.00 0.34 N ATOM 100 CA LEU A 7 -16.228 -1.924 1.375 1.00 0.32 C ATOM 101 C LEU A 7 -16.441 -2.969 0.295 1.00 0.32 C ATOM 102 O LEU A 7 -15.636 -3.051 -0.617 1.00 0.34 O ATOM 103 CB LEU A 7 -15.511 -2.543 2.583 1.00 0.31 C ATOM 104 CG LEU A 7 -15.056 -1.470 3.582 1.00 0.34 C ATOM 105 CD1 LEU A 7 -14.788 -2.098 4.947 1.00 0.35 C ATOM 106 CD2 LEU A 7 -13.780 -0.766 3.131 1.00 0.43 C ATOM 0 H LEU A 7 -17.666 -1.466 2.791 1.00 0.34 H new ATOM 0 HA LEU A 7 -15.606 -1.131 0.960 1.00 0.32 H new ATOM 0 HB2 LEU A 7 -16.178 -3.246 3.082 1.00 0.31 H new ATOM 0 HB3 LEU A 7 -14.647 -3.112 2.241 1.00 0.31 H new ATOM 0 HG LEU A 7 -15.862 -0.739 3.641 1.00 0.34 H new ATOM 0 HD11 LEU A 7 -14.466 -1.326 5.646 1.00 0.35 H new ATOM 0 HD12 LEU A 7 -15.700 -2.566 5.318 1.00 0.35 H new ATOM 0 HD13 LEU A 7 -14.006 -2.852 4.854 1.00 0.35 H new ATOM 0 HD21 LEU A 7 -13.498 -0.016 3.870 1.00 0.43 H new ATOM 0 HD22 LEU A 7 -12.977 -1.497 3.031 1.00 0.43 H new ATOM 0 HD23 LEU A 7 -13.952 -0.282 2.170 1.00 0.43 H new ATOM 118 N MET A 8 -17.501 -3.767 0.381 1.00 0.34 N ATOM 119 CA MET A 8 -17.815 -4.759 -0.631 1.00 0.37 C ATOM 120 C MET A 8 -18.120 -4.062 -1.953 1.00 0.36 C ATOM 121 O MET A 8 -17.560 -4.422 -2.985 1.00 0.38 O ATOM 122 CB MET A 8 -18.983 -5.617 -0.132 1.00 0.44 C ATOM 123 CG MET A 8 -19.264 -6.802 -1.056 1.00 0.62 C ATOM 124 SD MET A 8 -20.590 -7.873 -0.438 1.00 1.55 S ATOM 125 CE MET A 8 -20.373 -9.287 -1.549 1.00 2.00 C ATOM 0 H MET A 8 -18.164 -3.741 1.156 1.00 0.34 H new ATOM 0 HA MET A 8 -16.966 -5.420 -0.809 1.00 0.37 H new ATOM 0 HB2 MET A 8 -18.760 -5.984 0.870 1.00 0.44 H new ATOM 0 HB3 MET A 8 -19.878 -4.999 -0.053 1.00 0.44 H new ATOM 0 HG2 MET A 8 -19.534 -6.430 -2.045 1.00 0.62 H new ATOM 0 HG3 MET A 8 -18.353 -7.389 -1.174 1.00 0.62 H new ATOM 0 HE1 MET A 8 -21.112 -10.053 -1.312 1.00 2.00 H new ATOM 0 HE2 MET A 8 -20.505 -8.962 -2.581 1.00 2.00 H new ATOM 0 HE3 MET A 8 -19.371 -9.698 -1.423 1.00 2.00 H new ATOM 135 N LYS A 9 -18.992 -3.049 -1.929 1.00 0.35 N ATOM 136 CA LYS A 9 -19.317 -2.307 -3.148 1.00 0.33 C ATOM 137 C LYS A 9 -18.067 -1.655 -3.737 1.00 0.35 C ATOM 138 O LYS A 9 -17.796 -1.797 -4.923 1.00 0.40 O ATOM 139 CB LYS A 9 -20.414 -1.266 -2.869 1.00 0.38 C ATOM 140 CG LYS A 9 -21.802 -1.795 -3.248 1.00 1.83 C ATOM 141 CD LYS A 9 -22.198 -3.068 -2.487 1.00 2.53 C ATOM 142 CE LYS A 9 -23.544 -3.602 -2.990 1.00 3.56 C ATOM 143 NZ LYS A 9 -24.681 -2.752 -2.579 1.00 3.94 N ATOM 0 H LYS A 9 -19.478 -2.729 -1.092 1.00 0.35 H new ATOM 0 HA LYS A 9 -19.702 -3.009 -3.888 1.00 0.33 H new ATOM 0 HB2 LYS A 9 -20.402 -0.998 -1.813 1.00 0.38 H new ATOM 0 HB3 LYS A 9 -20.205 -0.356 -3.431 1.00 0.38 H new ATOM 0 HG2 LYS A 9 -22.543 -1.020 -3.055 1.00 1.83 H new ATOM 0 HG3 LYS A 9 -21.825 -1.999 -4.319 1.00 1.83 H new ATOM 0 HD2 LYS A 9 -21.428 -3.829 -2.615 1.00 2.53 H new ATOM 0 HD3 LYS A 9 -22.261 -2.855 -1.420 1.00 2.53 H new ATOM 0 HE2 LYS A 9 -23.520 -3.670 -4.078 1.00 3.56 H new ATOM 0 HE3 LYS A 9 -23.695 -4.613 -2.611 1.00 3.56 H new ATOM 0 HZ1 LYS A 9 -25.567 -3.157 -2.944 1.00 3.94 H new ATOM 0 HZ2 LYS A 9 -24.723 -2.707 -1.541 1.00 3.94 H new ATOM 0 HZ3 LYS A 9 -24.554 -1.794 -2.962 1.00 3.94 H new ATOM 157 N GLU A 10 -17.319 -0.933 -2.911 1.00 0.34 N ATOM 158 CA GLU A 10 -16.138 -0.181 -3.299 1.00 0.36 C ATOM 159 C GLU A 10 -15.083 -1.146 -3.832 1.00 0.30 C ATOM 160 O GLU A 10 -14.394 -0.819 -4.783 1.00 0.33 O ATOM 161 CB GLU A 10 -15.605 0.648 -2.113 1.00 0.44 C ATOM 162 CG GLU A 10 -16.662 1.621 -1.536 1.00 0.62 C ATOM 163 CD GLU A 10 -16.338 3.123 -1.511 1.00 1.03 C ATOM 164 OE1 GLU A 10 -17.258 3.891 -1.139 1.00 2.75 O ATOM 165 OE2 GLU A 10 -15.170 3.532 -1.670 1.00 2.03 O ATOM 0 H GLU A 10 -17.529 -0.854 -1.916 1.00 0.34 H new ATOM 0 HA GLU A 10 -16.396 0.524 -4.089 1.00 0.36 H new ATOM 0 HB2 GLU A 10 -15.271 -0.027 -1.325 1.00 0.44 H new ATOM 0 HB3 GLU A 10 -14.733 1.217 -2.436 1.00 0.44 H new ATOM 0 HG2 GLU A 10 -17.581 1.489 -2.107 1.00 0.62 H new ATOM 0 HG3 GLU A 10 -16.875 1.311 -0.513 1.00 0.62 H new ATOM 172 N LEU A 11 -14.943 -2.341 -3.256 1.00 0.29 N ATOM 173 CA LEU A 11 -13.971 -3.330 -3.702 1.00 0.28 C ATOM 174 C LEU A 11 -14.315 -3.809 -5.092 1.00 0.29 C ATOM 175 O LEU A 11 -13.439 -3.902 -5.945 1.00 0.28 O ATOM 176 CB LEU A 11 -13.931 -4.528 -2.752 1.00 0.29 C ATOM 177 CG LEU A 11 -12.770 -5.473 -3.099 1.00 0.26 C ATOM 178 CD1 LEU A 11 -12.268 -6.081 -1.799 1.00 0.34 C ATOM 179 CD2 LEU A 11 -13.182 -6.614 -4.037 1.00 0.32 C ATOM 0 H LEU A 11 -15.506 -2.648 -2.463 1.00 0.29 H new ATOM 0 HA LEU A 11 -12.990 -2.854 -3.710 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.824 -4.178 -1.725 1.00 0.29 H new ATOM 0 HB3 LEU A 11 -14.874 -5.071 -2.807 1.00 0.29 H new ATOM 0 HG LEU A 11 -12.006 -4.891 -3.615 1.00 0.26 H new ATOM 0 HD11 LEU A 11 -11.441 -6.759 -2.010 1.00 0.34 H new ATOM 0 HD12 LEU A 11 -11.926 -5.288 -1.134 1.00 0.34 H new ATOM 0 HD13 LEU A 11 -13.076 -6.633 -1.319 1.00 0.34 H new ATOM 0 HD21 LEU A 11 -12.318 -7.245 -4.243 1.00 0.32 H new ATOM 0 HD22 LEU A 11 -13.962 -7.210 -3.564 1.00 0.32 H new ATOM 0 HD23 LEU A 11 -13.559 -6.199 -4.971 1.00 0.32 H new ATOM 191 N GLU A 12 -15.581 -4.153 -5.306 1.00 0.32 N ATOM 192 CA GLU A 12 -16.032 -4.610 -6.606 1.00 0.35 C ATOM 193 C GLU A 12 -15.730 -3.527 -7.643 1.00 0.35 C ATOM 194 O GLU A 12 -15.106 -3.806 -8.663 1.00 0.35 O ATOM 195 CB GLU A 12 -17.510 -5.006 -6.521 1.00 0.40 C ATOM 196 CG GLU A 12 -17.984 -5.677 -7.817 1.00 0.50 C ATOM 197 CD GLU A 12 -18.823 -6.925 -7.532 1.00 1.05 C ATOM 198 OE1 GLU A 12 -19.868 -6.781 -6.858 1.00 1.32 O ATOM 199 OE2 GLU A 12 -18.400 -8.008 -7.995 1.00 2.09 O ATOM 0 H GLU A 12 -16.309 -4.122 -4.593 1.00 0.32 H new ATOM 0 HA GLU A 12 -15.499 -5.505 -6.927 1.00 0.35 H new ATOM 0 HB2 GLU A 12 -17.659 -5.686 -5.682 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -18.115 -4.121 -6.325 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -18.572 -4.968 -8.400 1.00 0.50 H new ATOM 0 HG3 GLU A 12 -17.120 -5.949 -8.423 1.00 0.50 H new ATOM 206 N GLU A 13 -16.088 -2.279 -7.344 1.00 0.36 N ATOM 207 CA GLU A 13 -15.767 -1.106 -8.149 1.00 0.37 C ATOM 208 C GLU A 13 -14.260 -0.968 -8.387 1.00 0.32 C ATOM 209 O GLU A 13 -13.849 -0.661 -9.499 1.00 0.33 O ATOM 210 CB GLU A 13 -16.346 0.142 -7.465 1.00 0.41 C ATOM 211 CG GLU A 13 -17.782 0.411 -7.926 1.00 0.63 C ATOM 212 CD GLU A 13 -17.796 1.282 -9.183 1.00 1.94 C ATOM 213 OE1 GLU A 13 -17.944 2.514 -9.023 1.00 2.65 O ATOM 214 OE2 GLU A 13 -17.652 0.699 -10.280 1.00 3.09 O ATOM 0 H GLU A 13 -16.626 -2.052 -6.508 1.00 0.36 H new ATOM 0 HA GLU A 13 -16.220 -1.221 -9.134 1.00 0.37 H new ATOM 0 HB2 GLU A 13 -16.328 0.009 -6.383 1.00 0.41 H new ATOM 0 HB3 GLU A 13 -15.721 1.006 -7.690 1.00 0.41 H new ATOM 0 HG2 GLU A 13 -18.287 -0.534 -8.127 1.00 0.63 H new ATOM 0 HG3 GLU A 13 -18.338 0.906 -7.129 1.00 0.63 H new ATOM 221 N ILE A 14 -13.414 -1.192 -7.378 1.00 0.29 N ATOM 222 CA ILE A 14 -11.964 -1.068 -7.504 1.00 0.26 C ATOM 223 C ILE A 14 -11.486 -2.069 -8.552 1.00 0.27 C ATOM 224 O ILE A 14 -10.856 -1.709 -9.549 1.00 0.30 O ATOM 225 CB ILE A 14 -11.278 -1.246 -6.122 1.00 0.23 C ATOM 226 CG1 ILE A 14 -11.391 0.073 -5.334 1.00 0.26 C ATOM 227 CG2 ILE A 14 -9.779 -1.547 -6.267 1.00 0.23 C ATOM 228 CD1 ILE A 14 -10.807 -0.041 -3.922 1.00 0.23 C ATOM 0 H ILE A 14 -13.721 -1.466 -6.445 1.00 0.29 H new ATOM 0 HA ILE A 14 -11.687 -0.069 -7.842 1.00 0.26 H new ATOM 0 HB ILE A 14 -11.772 -2.076 -5.616 1.00 0.23 H new ATOM 0 HG12 ILE A 14 -10.872 0.863 -5.877 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -12.439 0.366 -5.269 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -9.334 -1.665 -5.279 1.00 0.23 H new ATOM 0 HG22 ILE A 14 -9.646 -2.467 -6.837 1.00 0.23 H new ATOM 0 HG23 ILE A 14 -9.291 -0.723 -6.788 1.00 0.23 H new ATOM 0 HD11 ILE A 14 -10.910 0.914 -3.407 1.00 0.23 H new ATOM 0 HD12 ILE A 14 -11.343 -0.812 -3.368 1.00 0.23 H new ATOM 0 HD13 ILE A 14 -9.752 -0.307 -3.985 1.00 0.23 H new ATOM 240 N ARG A 15 -11.781 -3.347 -8.327 1.00 0.26 N ATOM 241 CA ARG A 15 -11.315 -4.430 -9.175 1.00 0.31 C ATOM 242 C ARG A 15 -11.775 -4.207 -10.610 1.00 0.42 C ATOM 243 O ARG A 15 -11.004 -4.401 -11.550 1.00 0.56 O ATOM 244 CB ARG A 15 -11.793 -5.771 -8.598 1.00 0.41 C ATOM 245 CG ARG A 15 -10.672 -6.802 -8.716 1.00 0.98 C ATOM 246 CD ARG A 15 -11.042 -8.112 -8.021 1.00 0.85 C ATOM 247 NE ARG A 15 -11.915 -8.953 -8.847 1.00 1.05 N ATOM 248 CZ ARG A 15 -12.304 -10.190 -8.513 1.00 1.30 C ATOM 249 NH1 ARG A 15 -13.065 -10.896 -9.351 1.00 2.14 N ATOM 250 NH2 ARG A 15 -11.926 -10.723 -7.349 1.00 1.77 N ATOM 0 H ARG A 15 -12.355 -3.658 -7.543 1.00 0.26 H new ATOM 0 HA ARG A 15 -10.225 -4.452 -9.195 1.00 0.31 H new ATOM 0 HB2 ARG A 15 -12.081 -5.648 -7.554 1.00 0.41 H new ATOM 0 HB3 ARG A 15 -12.677 -6.116 -9.134 1.00 0.41 H new ATOM 0 HG2 ARG A 15 -10.462 -6.994 -9.768 1.00 0.98 H new ATOM 0 HG3 ARG A 15 -9.759 -6.401 -8.276 1.00 0.98 H new ATOM 0 HD2 ARG A 15 -10.133 -8.663 -7.780 1.00 0.85 H new ATOM 0 HD3 ARG A 15 -11.540 -7.892 -7.077 1.00 0.85 H new ATOM 0 HE ARG A 15 -12.247 -8.571 -9.733 1.00 1.05 H new ATOM 0 HH11 ARG A 15 -13.349 -10.493 -10.244 1.00 2.14 H new ATOM 0 HH12 ARG A 15 -13.363 -11.838 -9.099 1.00 2.14 H new ATOM 0 HH21 ARG A 15 -11.338 -10.188 -6.710 1.00 1.77 H new ATOM 0 HH22 ARG A 15 -12.225 -11.666 -7.099 1.00 1.77 H new ATOM 264 N LYS A 16 -13.038 -3.808 -10.762 1.00 0.40 N ATOM 265 CA LYS A 16 -13.686 -3.577 -12.042 1.00 0.53 C ATOM 266 C LYS A 16 -13.142 -2.332 -12.734 1.00 0.54 C ATOM 267 O LYS A 16 -13.120 -2.297 -13.960 1.00 0.63 O ATOM 268 CB LYS A 16 -15.200 -3.449 -11.826 1.00 0.64 C ATOM 269 CG LYS A 16 -15.809 -4.791 -11.399 1.00 1.16 C ATOM 270 CD LYS A 16 -15.942 -5.751 -12.584 1.00 1.35 C ATOM 271 CE LYS A 16 -17.410 -5.802 -13.020 1.00 1.48 C ATOM 272 NZ LYS A 16 -17.605 -6.631 -14.228 1.00 2.96 N ATOM 0 H LYS A 16 -13.654 -3.632 -9.968 1.00 0.40 H new ATOM 0 HA LYS A 16 -13.475 -4.426 -12.692 1.00 0.53 H new ATOM 0 HB2 LYS A 16 -15.400 -2.696 -11.064 1.00 0.64 H new ATOM 0 HB3 LYS A 16 -15.675 -3.106 -12.745 1.00 0.64 H new ATOM 0 HG2 LYS A 16 -15.185 -5.246 -10.629 1.00 1.16 H new ATOM 0 HG3 LYS A 16 -16.790 -4.621 -10.955 1.00 1.16 H new ATOM 0 HD2 LYS A 16 -15.315 -5.418 -13.411 1.00 1.35 H new ATOM 0 HD3 LYS A 16 -15.598 -6.746 -12.303 1.00 1.35 H new ATOM 0 HE2 LYS A 16 -18.015 -6.201 -12.206 1.00 1.48 H new ATOM 0 HE3 LYS A 16 -17.765 -4.790 -13.215 1.00 1.48 H new ATOM 0 HZ1 LYS A 16 -18.612 -6.637 -14.486 1.00 2.96 H new ATOM 0 HZ2 LYS A 16 -17.049 -6.237 -15.013 1.00 2.96 H new ATOM 0 HZ3 LYS A 16 -17.291 -7.604 -14.036 1.00 2.96 H new ATOM 286 N CYS A 17 -12.707 -1.326 -11.975 1.00 0.50 N ATOM 287 CA CYS A 17 -12.147 -0.097 -12.517 1.00 0.60 C ATOM 288 C CYS A 17 -10.885 -0.463 -13.287 1.00 0.59 C ATOM 289 O CYS A 17 -10.682 -0.023 -14.417 1.00 0.92 O ATOM 290 CB CYS A 17 -11.857 0.877 -11.365 1.00 0.61 C ATOM 291 SG CYS A 17 -11.211 2.450 -11.992 1.00 0.99 S ATOM 0 H CYS A 17 -12.736 -1.346 -10.956 1.00 0.50 H new ATOM 0 HA CYS A 17 -12.842 0.398 -13.195 1.00 0.60 H new ATOM 0 HB2 CYS A 17 -12.770 1.055 -10.796 1.00 0.61 H new ATOM 0 HB3 CYS A 17 -11.136 0.431 -10.680 1.00 0.61 H new ATOM 0 HG CYS A 17 -10.978 3.252 -10.995 1.00 0.99 H new ATOM 297 N GLY A 18 -10.056 -1.318 -12.691 1.00 0.31 N ATOM 298 CA GLY A 18 -8.951 -1.923 -13.404 1.00 0.35 C ATOM 299 C GLY A 18 -7.891 -2.335 -12.407 1.00 0.34 C ATOM 300 O GLY A 18 -7.051 -1.520 -12.035 1.00 0.39 O ATOM 0 H GLY A 18 -10.135 -1.603 -11.715 1.00 0.31 H new ATOM 0 HA2 GLY A 18 -9.296 -2.790 -13.968 1.00 0.35 H new ATOM 0 HA3 GLY A 18 -8.537 -1.218 -14.125 1.00 0.35 H new ATOM 304 N MET A 19 -7.917 -3.594 -11.970 1.00 0.36 N ATOM 305 CA MET A 19 -6.894 -4.103 -11.075 1.00 0.31 C ATOM 306 C MET A 19 -5.596 -4.285 -11.837 1.00 0.34 C ATOM 307 O MET A 19 -5.293 -5.355 -12.359 1.00 0.38 O ATOM 308 CB MET A 19 -7.344 -5.370 -10.337 1.00 0.40 C ATOM 309 CG MET A 19 -7.909 -6.501 -11.194 1.00 0.75 C ATOM 310 SD MET A 19 -7.895 -8.080 -10.297 1.00 1.54 S ATOM 311 CE MET A 19 -8.550 -9.161 -11.589 1.00 2.00 C ATOM 0 H MET A 19 -8.635 -4.273 -12.223 1.00 0.36 H new ATOM 0 HA MET A 19 -6.719 -3.369 -10.288 1.00 0.31 H new ATOM 0 HB2 MET A 19 -6.492 -5.759 -9.779 1.00 0.40 H new ATOM 0 HB3 MET A 19 -8.101 -5.087 -9.606 1.00 0.40 H new ATOM 0 HG2 MET A 19 -8.929 -6.259 -11.492 1.00 0.75 H new ATOM 0 HG3 MET A 19 -7.323 -6.595 -12.108 1.00 0.75 H new ATOM 0 HE1 MET A 19 -8.612 -10.182 -11.212 1.00 2.00 H new ATOM 0 HE2 MET A 19 -9.544 -8.820 -11.879 1.00 2.00 H new ATOM 0 HE3 MET A 19 -7.890 -9.133 -12.456 1.00 2.00 H new ATOM 321 N LYS A 20 -4.849 -3.191 -11.924 1.00 0.32 N ATOM 322 CA LYS A 20 -3.532 -3.153 -12.510 1.00 0.37 C ATOM 323 C LYS A 20 -2.525 -2.991 -11.384 1.00 0.38 C ATOM 324 O LYS A 20 -1.879 -3.950 -10.977 1.00 0.49 O ATOM 325 CB LYS A 20 -3.514 -2.056 -13.581 1.00 0.41 C ATOM 326 CG LYS A 20 -2.438 -2.350 -14.615 1.00 1.30 C ATOM 327 CD LYS A 20 -1.020 -2.247 -14.028 1.00 3.60 C ATOM 328 CE LYS A 20 0.026 -1.928 -15.106 1.00 3.74 C ATOM 329 NZ LYS A 20 1.360 -1.666 -14.513 1.00 6.08 N ATOM 0 H LYS A 20 -5.160 -2.284 -11.576 1.00 0.32 H new ATOM 0 HA LYS A 20 -3.256 -4.071 -13.028 1.00 0.37 H new ATOM 0 HB2 LYS A 20 -4.488 -1.995 -14.066 1.00 0.41 H new ATOM 0 HB3 LYS A 20 -3.328 -1.087 -13.117 1.00 0.41 H new ATOM 0 HG2 LYS A 20 -2.590 -3.351 -15.019 1.00 1.30 H new ATOM 0 HG3 LYS A 20 -2.536 -1.652 -15.447 1.00 1.30 H new ATOM 0 HD2 LYS A 20 -1.000 -1.471 -13.262 1.00 3.60 H new ATOM 0 HD3 LYS A 20 -0.761 -3.186 -13.538 1.00 3.60 H new ATOM 0 HE2 LYS A 20 0.095 -2.762 -15.804 1.00 3.74 H new ATOM 0 HE3 LYS A 20 -0.295 -1.058 -15.679 1.00 3.74 H new ATOM 0 HZ1 LYS A 20 1.961 -1.182 -15.210 1.00 6.08 H new ATOM 0 HZ2 LYS A 20 1.254 -1.065 -13.671 1.00 6.08 H new ATOM 0 HZ3 LYS A 20 1.802 -2.567 -14.241 1.00 6.08 H new ATOM 343 N ASN A 21 -2.433 -1.777 -10.842 1.00 0.34 N ATOM 344 CA ASN A 21 -1.504 -1.452 -9.770 1.00 0.32 C ATOM 345 C ASN A 21 -1.895 -2.078 -8.441 1.00 0.28 C ATOM 346 O ASN A 21 -1.147 -1.982 -7.476 1.00 0.25 O ATOM 347 CB ASN A 21 -1.434 0.060 -9.592 1.00 0.39 C ATOM 348 CG ASN A 21 -0.696 0.683 -10.758 1.00 0.59 C ATOM 349 OD1 ASN A 21 -1.317 1.186 -11.685 1.00 1.99 O ATOM 350 ND2 ASN A 21 0.622 0.583 -10.750 1.00 1.37 N ATOM 0 H ASN A 21 -3.007 -0.988 -11.140 1.00 0.34 H new ATOM 0 HA ASN A 21 -0.535 -1.859 -10.060 1.00 0.32 H new ATOM 0 HB2 ASN A 21 -2.440 0.474 -9.524 1.00 0.39 H new ATOM 0 HB3 ASN A 21 -0.926 0.302 -8.658 1.00 0.39 H new ATOM 0 HD21 ASN A 21 1.165 0.933 -11.539 1.00 1.37 H new ATOM 0 HD22 ASN A 21 1.096 0.156 -9.954 1.00 1.37 H new ATOM 357 N PHE A 22 -3.066 -2.695 -8.365 1.00 0.32 N ATOM 358 CA PHE A 22 -3.587 -3.308 -7.169 1.00 0.30 C ATOM 359 C PHE A 22 -4.241 -4.586 -7.661 1.00 0.34 C ATOM 360 O PHE A 22 -5.275 -4.530 -8.313 1.00 0.56 O ATOM 361 CB PHE A 22 -4.545 -2.323 -6.482 1.00 0.27 C ATOM 362 CG PHE A 22 -5.471 -1.559 -7.417 1.00 0.24 C ATOM 363 CD1 PHE A 22 -6.730 -2.080 -7.759 1.00 0.17 C ATOM 364 CD2 PHE A 22 -5.043 -0.345 -7.988 1.00 0.35 C ATOM 365 CE1 PHE A 22 -7.533 -1.412 -8.700 1.00 0.22 C ATOM 366 CE2 PHE A 22 -5.852 0.331 -8.915 1.00 0.38 C ATOM 367 CZ PHE A 22 -7.098 -0.207 -9.275 1.00 0.31 C ATOM 0 H PHE A 22 -3.693 -2.781 -9.165 1.00 0.32 H new ATOM 0 HA PHE A 22 -2.843 -3.549 -6.410 1.00 0.30 H new ATOM 0 HB2 PHE A 22 -5.153 -2.874 -5.765 1.00 0.27 H new ATOM 0 HB3 PHE A 22 -3.955 -1.604 -5.914 1.00 0.27 H new ATOM 0 HD1 PHE A 22 -7.081 -2.992 -7.300 1.00 0.17 H new ATOM 0 HD2 PHE A 22 -4.085 0.069 -7.711 1.00 0.35 H new ATOM 0 HE1 PHE A 22 -8.489 -1.828 -8.982 1.00 0.22 H new ATOM 0 HE2 PHE A 22 -5.517 1.261 -9.350 1.00 0.38 H new ATOM 0 HZ PHE A 22 -7.721 0.305 -9.993 1.00 0.31 H new ATOM 377 N ARG A 23 -3.604 -5.733 -7.434 1.00 0.24 N ATOM 378 CA ARG A 23 -4.081 -7.033 -7.891 1.00 0.27 C ATOM 379 C ARG A 23 -4.097 -7.947 -6.684 1.00 0.25 C ATOM 380 O ARG A 23 -3.762 -7.535 -5.578 1.00 0.24 O ATOM 381 CB ARG A 23 -3.185 -7.603 -9.016 1.00 0.37 C ATOM 382 CG ARG A 23 -3.687 -7.269 -10.428 1.00 0.83 C ATOM 383 CD ARG A 23 -4.068 -8.536 -11.217 1.00 1.33 C ATOM 384 NE ARG A 23 -4.601 -8.195 -12.543 1.00 2.15 N ATOM 385 CZ ARG A 23 -4.424 -8.877 -13.685 1.00 2.58 C ATOM 386 NH1 ARG A 23 -4.794 -8.323 -14.832 1.00 3.82 N ATOM 387 NH2 ARG A 23 -3.887 -10.095 -13.696 1.00 2.34 N ATOM 0 H ARG A 23 -2.726 -5.784 -6.918 1.00 0.24 H new ATOM 0 HA ARG A 23 -5.080 -6.943 -8.318 1.00 0.27 H new ATOM 0 HB2 ARG A 23 -2.174 -7.213 -8.897 1.00 0.37 H new ATOM 0 HB3 ARG A 23 -3.124 -8.686 -8.907 1.00 0.37 H new ATOM 0 HG2 ARG A 23 -4.553 -6.610 -10.359 1.00 0.83 H new ATOM 0 HG3 ARG A 23 -2.914 -6.724 -10.969 1.00 0.83 H new ATOM 0 HD2 ARG A 23 -3.193 -9.176 -11.327 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -4.811 -9.106 -10.659 1.00 1.33 H new ATOM 0 HE ARG A 23 -5.167 -7.348 -12.602 1.00 2.15 H new ATOM 0 HH11 ARG A 23 -5.207 -7.390 -14.838 1.00 3.82 H new ATOM 0 HH12 ARG A 23 -4.666 -8.830 -15.708 1.00 3.82 H new ATOM 0 HH21 ARG A 23 -3.598 -10.533 -12.821 1.00 2.34 H new ATOM 0 HH22 ARG A 23 -3.764 -10.590 -14.579 1.00 2.34 H new ATOM 401 N ASN A 24 -4.515 -9.192 -6.893 1.00 0.27 N ATOM 402 CA ASN A 24 -4.716 -10.140 -5.817 1.00 0.25 C ATOM 403 C ASN A 24 -5.614 -9.546 -4.728 1.00 0.25 C ATOM 404 O ASN A 24 -5.454 -9.868 -3.560 1.00 0.30 O ATOM 405 CB ASN A 24 -3.346 -10.572 -5.282 1.00 0.27 C ATOM 406 CG ASN A 24 -3.436 -11.858 -4.489 1.00 0.52 C ATOM 407 OD1 ASN A 24 -4.281 -12.701 -4.760 1.00 1.57 O ATOM 408 ND2 ASN A 24 -2.542 -12.047 -3.532 1.00 1.60 N ATOM 0 H ASN A 24 -4.723 -9.567 -7.819 1.00 0.27 H new ATOM 0 HA ASN A 24 -5.235 -11.025 -6.186 1.00 0.25 H new ATOM 0 HB2 ASN A 24 -2.655 -10.705 -6.115 1.00 0.27 H new ATOM 0 HB3 ASN A 24 -2.936 -9.783 -4.651 1.00 0.27 H new ATOM 0 HD21 ASN A 24 -2.544 -12.915 -2.996 1.00 1.60 H new ATOM 0 HD22 ASN A 24 -1.850 -11.325 -3.330 1.00 1.60 H new ATOM 415 N ILE A 25 -6.548 -8.666 -5.112 1.00 0.23 N ATOM 416 CA ILE A 25 -7.531 -8.096 -4.203 1.00 0.20 C ATOM 417 C ILE A 25 -8.373 -9.267 -3.707 1.00 0.20 C ATOM 418 O ILE A 25 -8.987 -9.968 -4.516 1.00 0.22 O ATOM 419 CB ILE A 25 -8.353 -6.999 -4.935 1.00 0.21 C ATOM 420 CG1 ILE A 25 -7.888 -5.595 -4.501 1.00 0.22 C ATOM 421 CG2 ILE A 25 -9.870 -7.086 -4.723 1.00 0.32 C ATOM 422 CD1 ILE A 25 -8.651 -4.469 -5.191 1.00 0.23 C ATOM 0 H ILE A 25 -6.637 -8.332 -6.072 1.00 0.23 H new ATOM 0 HA ILE A 25 -7.081 -7.592 -3.348 1.00 0.20 H new ATOM 0 HB ILE A 25 -8.165 -7.175 -5.994 1.00 0.21 H new ATOM 0 HG12 ILE A 25 -8.007 -5.498 -3.422 1.00 0.22 H new ATOM 0 HG13 ILE A 25 -6.825 -5.489 -4.715 1.00 0.22 H new ATOM 0 HG21 ILE A 25 -10.361 -6.281 -5.271 1.00 0.32 H new ATOM 0 HG22 ILE A 25 -10.234 -8.047 -5.087 1.00 0.32 H new ATOM 0 HG23 ILE A 25 -10.095 -6.991 -3.661 1.00 0.32 H new ATOM 0 HD11 ILE A 25 -8.275 -3.507 -4.841 1.00 0.23 H new ATOM 0 HD12 ILE A 25 -8.512 -4.543 -6.270 1.00 0.23 H new ATOM 0 HD13 ILE A 25 -9.712 -4.551 -4.956 1.00 0.23 H new ATOM 434 N GLN A 26 -8.400 -9.484 -2.393 1.00 0.20 N ATOM 435 CA GLN A 26 -9.275 -10.459 -1.773 1.00 0.24 C ATOM 436 C GLN A 26 -9.853 -9.853 -0.505 1.00 0.25 C ATOM 437 O GLN A 26 -9.313 -8.893 0.050 1.00 0.27 O ATOM 438 CB GLN A 26 -8.576 -11.775 -1.439 1.00 0.32 C ATOM 439 CG GLN A 26 -7.476 -12.150 -2.430 1.00 0.35 C ATOM 440 CD GLN A 26 -7.170 -13.642 -2.368 1.00 0.54 C ATOM 441 OE1 GLN A 26 -7.762 -14.398 -1.608 1.00 1.49 O ATOM 442 NE2 GLN A 26 -6.253 -14.114 -3.191 1.00 1.12 N ATOM 0 H GLN A 26 -7.809 -8.982 -1.731 1.00 0.20 H new ATOM 0 HA GLN A 26 -10.058 -10.700 -2.492 1.00 0.24 H new ATOM 0 HB2 GLN A 26 -8.146 -11.705 -0.440 1.00 0.32 H new ATOM 0 HB3 GLN A 26 -9.317 -12.574 -1.412 1.00 0.32 H new ATOM 0 HG2 GLN A 26 -7.784 -11.880 -3.440 1.00 0.35 H new ATOM 0 HG3 GLN A 26 -6.573 -11.581 -2.209 1.00 0.35 H new ATOM 0 HE21 GLN A 26 -5.761 -13.482 -3.823 1.00 1.12 H new ATOM 0 HE22 GLN A 26 -6.036 -15.111 -3.195 1.00 1.12 H new ATOM 451 N VAL A 27 -10.948 -10.446 -0.048 1.00 0.27 N ATOM 452 CA VAL A 27 -11.678 -10.016 1.121 1.00 0.29 C ATOM 453 C VAL A 27 -12.139 -11.310 1.790 1.00 0.36 C ATOM 454 O VAL A 27 -12.490 -12.254 1.080 1.00 0.47 O ATOM 455 CB VAL A 27 -12.792 -9.072 0.628 1.00 0.31 C ATOM 456 CG1 VAL A 27 -14.013 -9.797 0.047 1.00 0.49 C ATOM 457 CG2 VAL A 27 -13.232 -8.116 1.726 1.00 0.35 C ATOM 0 H VAL A 27 -11.359 -11.263 -0.499 1.00 0.27 H new ATOM 0 HA VAL A 27 -11.121 -9.445 1.864 1.00 0.29 H new ATOM 0 HB VAL A 27 -12.345 -8.508 -0.191 1.00 0.31 H new ATOM 0 HG11 VAL A 27 -14.751 -9.064 -0.277 1.00 0.49 H new ATOM 0 HG12 VAL A 27 -13.705 -10.403 -0.805 1.00 0.49 H new ATOM 0 HG13 VAL A 27 -14.451 -10.440 0.810 1.00 0.49 H new ATOM 0 HG21 VAL A 27 -14.018 -7.464 1.347 1.00 0.35 H new ATOM 0 HG22 VAL A 27 -13.611 -8.686 2.574 1.00 0.35 H new ATOM 0 HG23 VAL A 27 -12.382 -7.512 2.045 1.00 0.35 H new ATOM 467 N ASP A 28 -12.059 -11.418 3.117 1.00 0.36 N ATOM 468 CA ASP A 28 -12.539 -12.630 3.780 1.00 0.43 C ATOM 469 C ASP A 28 -14.062 -12.655 3.753 1.00 0.41 C ATOM 470 O ASP A 28 -14.692 -11.655 3.423 1.00 0.45 O ATOM 471 CB ASP A 28 -12.025 -12.696 5.216 1.00 0.53 C ATOM 472 CG ASP A 28 -12.240 -14.084 5.799 1.00 0.60 C ATOM 473 OD1 ASP A 28 -11.642 -15.028 5.246 1.00 1.98 O ATOM 474 OD2 ASP A 28 -13.061 -14.194 6.736 1.00 2.24 O ATOM 0 H ASP A 28 -11.678 -10.704 3.738 1.00 0.36 H new ATOM 0 HA ASP A 28 -12.159 -13.502 3.248 1.00 0.43 H new ATOM 0 HB2 ASP A 28 -10.964 -12.446 5.240 1.00 0.53 H new ATOM 0 HB3 ASP A 28 -12.541 -11.955 5.827 1.00 0.53 H new ATOM 479 N GLU A 29 -14.675 -13.779 4.112 1.00 0.48 N ATOM 480 CA GLU A 29 -16.112 -13.811 4.316 1.00 0.53 C ATOM 481 C GLU A 29 -16.447 -13.188 5.669 1.00 0.48 C ATOM 482 O GLU A 29 -17.267 -12.277 5.763 1.00 0.49 O ATOM 483 CB GLU A 29 -16.606 -15.259 4.217 1.00 0.71 C ATOM 484 CG GLU A 29 -18.054 -15.347 4.700 1.00 2.36 C ATOM 485 CD GLU A 29 -18.731 -16.664 4.315 1.00 2.47 C ATOM 486 OE1 GLU A 29 -18.027 -17.698 4.309 1.00 2.71 O ATOM 487 OE2 GLU A 29 -19.950 -16.618 4.038 1.00 3.62 O ATOM 0 H GLU A 29 -14.201 -14.669 4.265 1.00 0.48 H new ATOM 0 HA GLU A 29 -16.619 -13.229 3.546 1.00 0.53 H new ATOM 0 HB2 GLU A 29 -16.535 -15.607 3.187 1.00 0.71 H new ATOM 0 HB3 GLU A 29 -15.972 -15.911 4.818 1.00 0.71 H new ATOM 0 HG2 GLU A 29 -18.078 -15.236 5.784 1.00 2.36 H new ATOM 0 HG3 GLU A 29 -18.622 -14.516 4.282 1.00 2.36 H new ATOM 494 N ALA A 30 -15.840 -13.708 6.733 1.00 0.48 N ATOM 495 CA ALA A 30 -16.146 -13.273 8.085 1.00 0.49 C ATOM 496 C ALA A 30 -15.472 -11.930 8.328 1.00 0.40 C ATOM 497 O ALA A 30 -16.117 -10.929 8.637 1.00 0.43 O ATOM 498 CB ALA A 30 -15.666 -14.325 9.091 1.00 0.57 C ATOM 0 H ALA A 30 -15.128 -14.437 6.679 1.00 0.48 H new ATOM 0 HA ALA A 30 -17.222 -13.158 8.213 1.00 0.49 H new ATOM 0 HB1 ALA A 30 -15.898 -13.993 10.103 1.00 0.57 H new ATOM 0 HB2 ALA A 30 -16.169 -15.272 8.895 1.00 0.57 H new ATOM 0 HB3 ALA A 30 -14.589 -14.459 8.991 1.00 0.57 H new ATOM 504 N ASN A 31 -14.153 -11.897 8.175 1.00 0.37 N ATOM 505 CA ASN A 31 -13.371 -10.692 8.374 1.00 0.35 C ATOM 506 C ASN A 31 -13.321 -9.881 7.077 1.00 0.26 C ATOM 507 O ASN A 31 -12.250 -9.444 6.665 1.00 0.27 O ATOM 508 CB ASN A 31 -11.965 -11.084 8.850 1.00 0.46 C ATOM 509 CG ASN A 31 -11.196 -9.870 9.352 1.00 1.39 C ATOM 510 OD1 ASN A 31 -11.736 -8.771 9.459 1.00 2.35 O ATOM 511 ND2 ASN A 31 -9.926 -10.046 9.690 1.00 1.98 N ATOM 0 H ASN A 31 -13.598 -12.710 7.908 1.00 0.37 H new ATOM 0 HA ASN A 31 -13.833 -10.064 9.136 1.00 0.35 H new ATOM 0 HB2 ASN A 31 -12.041 -11.825 9.646 1.00 0.46 H new ATOM 0 HB3 ASN A 31 -11.418 -11.551 8.031 1.00 0.46 H new ATOM 0 HD21 ASN A 31 -9.380 -9.262 10.046 1.00 1.98 H new ATOM 0 HD22 ASN A 31 -9.495 -10.966 9.594 1.00 1.98 H new ATOM 518 N LEU A 32 -14.461 -9.684 6.403 1.00 0.24 N ATOM 519 CA LEU A 32 -14.477 -8.986 5.115 1.00 0.22 C ATOM 520 C LEU A 32 -14.080 -7.515 5.280 1.00 0.22 C ATOM 521 O LEU A 32 -13.639 -6.850 4.350 1.00 0.26 O ATOM 522 CB LEU A 32 -15.826 -9.201 4.393 1.00 0.31 C ATOM 523 CG LEU A 32 -16.883 -8.097 4.516 1.00 0.32 C ATOM 524 CD1 LEU A 32 -16.733 -7.024 3.425 1.00 0.49 C ATOM 525 CD2 LEU A 32 -18.276 -8.711 4.341 1.00 0.41 C ATOM 0 H LEU A 32 -15.377 -9.996 6.726 1.00 0.24 H new ATOM 0 HA LEU A 32 -13.719 -9.419 4.462 1.00 0.22 H new ATOM 0 HB2 LEU A 32 -15.619 -9.351 3.333 1.00 0.31 H new ATOM 0 HB3 LEU A 32 -16.263 -10.127 4.767 1.00 0.31 H new ATOM 0 HG LEU A 32 -16.751 -7.639 5.496 1.00 0.32 H new ATOM 0 HD11 LEU A 32 -17.504 -6.264 3.554 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -15.750 -6.561 3.503 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -16.839 -7.486 2.443 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -19.031 -7.930 4.428 1.00 0.41 H new ATOM 0 HD22 LEU A 32 -18.347 -9.177 3.358 1.00 0.41 H new ATOM 0 HD23 LEU A 32 -18.442 -9.463 5.112 1.00 0.41 H new ATOM 537 N LEU A 33 -14.217 -6.998 6.501 1.00 0.23 N ATOM 538 CA LEU A 33 -13.721 -5.690 6.895 1.00 0.27 C ATOM 539 C LEU A 33 -12.229 -5.532 6.578 1.00 0.32 C ATOM 540 O LEU A 33 -11.781 -4.440 6.231 1.00 0.65 O ATOM 541 CB LEU A 33 -13.996 -5.519 8.394 1.00 0.31 C ATOM 542 CG LEU A 33 -15.481 -5.267 8.690 1.00 0.35 C ATOM 543 CD1 LEU A 33 -15.691 -5.273 10.199 1.00 0.36 C ATOM 544 CD2 LEU A 33 -15.969 -3.911 8.179 1.00 0.44 C ATOM 0 H LEU A 33 -14.688 -7.493 7.258 1.00 0.23 H new ATOM 0 HA LEU A 33 -14.234 -4.913 6.328 1.00 0.27 H new ATOM 0 HB2 LEU A 33 -13.669 -6.413 8.925 1.00 0.31 H new ATOM 0 HB3 LEU A 33 -13.405 -4.687 8.777 1.00 0.31 H new ATOM 0 HG LEU A 33 -16.040 -6.054 8.183 1.00 0.35 H new ATOM 0 HD11 LEU A 33 -16.743 -5.095 10.421 1.00 0.36 H new ATOM 0 HD12 LEU A 33 -15.394 -6.240 10.604 1.00 0.36 H new ATOM 0 HD13 LEU A 33 -15.086 -4.488 10.654 1.00 0.36 H new ATOM 0 HD21 LEU A 33 -17.026 -3.791 8.418 1.00 0.44 H new ATOM 0 HD22 LEU A 33 -15.397 -3.115 8.655 1.00 0.44 H new ATOM 0 HD23 LEU A 33 -15.833 -3.859 7.099 1.00 0.44 H new ATOM 556 N THR A 34 -11.444 -6.600 6.700 1.00 0.23 N ATOM 557 CA THR A 34 -10.020 -6.547 6.422 1.00 0.21 C ATOM 558 C THR A 34 -9.745 -7.046 5.004 1.00 0.20 C ATOM 559 O THR A 34 -10.378 -7.976 4.507 1.00 0.25 O ATOM 560 CB THR A 34 -9.269 -7.360 7.484 1.00 0.29 C ATOM 561 OG1 THR A 34 -9.690 -6.944 8.766 1.00 0.44 O ATOM 562 CG2 THR A 34 -7.756 -7.151 7.420 1.00 0.39 C ATOM 0 H THR A 34 -11.779 -7.518 6.993 1.00 0.23 H new ATOM 0 HA THR A 34 -9.662 -5.519 6.473 1.00 0.21 H new ATOM 0 HB THR A 34 -9.490 -8.410 7.294 1.00 0.29 H new ATOM 0 HG1 THR A 34 -10.489 -7.448 9.027 1.00 0.44 H new ATOM 0 HG21 THR A 34 -7.273 -7.749 8.193 1.00 0.39 H new ATOM 0 HG22 THR A 34 -7.388 -7.457 6.441 1.00 0.39 H new ATOM 0 HG23 THR A 34 -7.527 -6.097 7.581 1.00 0.39 H new ATOM 570 N TRP A 35 -8.802 -6.380 4.345 1.00 0.17 N ATOM 571 CA TRP A 35 -8.467 -6.572 2.946 1.00 0.16 C ATOM 572 C TRP A 35 -7.046 -7.090 2.843 1.00 0.14 C ATOM 573 O TRP A 35 -6.177 -6.708 3.625 1.00 0.15 O ATOM 574 CB TRP A 35 -8.510 -5.231 2.216 1.00 0.16 C ATOM 575 CG TRP A 35 -9.839 -4.585 2.046 1.00 0.18 C ATOM 576 CD1 TRP A 35 -10.785 -4.449 2.998 1.00 0.25 C ATOM 577 CD2 TRP A 35 -10.366 -3.927 0.859 1.00 0.20 C ATOM 578 NE1 TRP A 35 -11.874 -3.802 2.478 1.00 0.29 N ATOM 579 CE2 TRP A 35 -11.672 -3.439 1.158 1.00 0.26 C ATOM 580 CE3 TRP A 35 -9.848 -3.663 -0.427 1.00 0.23 C ATOM 581 CZ2 TRP A 35 -12.432 -2.740 0.209 1.00 0.30 C ATOM 582 CZ3 TRP A 35 -10.603 -2.963 -1.385 1.00 0.28 C ATOM 583 CH2 TRP A 35 -11.897 -2.517 -1.072 1.00 0.31 C ATOM 0 H TRP A 35 -8.230 -5.664 4.793 1.00 0.17 H new ATOM 0 HA TRP A 35 -9.178 -7.273 2.508 1.00 0.16 H new ATOM 0 HB2 TRP A 35 -7.864 -4.535 2.751 1.00 0.16 H new ATOM 0 HB3 TRP A 35 -8.075 -5.372 1.226 1.00 0.16 H new ATOM 0 HD1 TRP A 35 -10.697 -4.798 4.016 1.00 0.25 H new ATOM 0 HE1 TRP A 35 -12.729 -3.611 3.000 1.00 0.29 H new ATOM 0 HE3 TRP A 35 -8.855 -4.004 -0.680 1.00 0.23 H new ATOM 0 HZ2 TRP A 35 -13.418 -2.377 0.459 1.00 0.30 H new ATOM 0 HZ3 TRP A 35 -10.187 -2.768 -2.362 1.00 0.28 H new ATOM 0 HH2 TRP A 35 -12.483 -2.001 -1.818 1.00 0.31 H new ATOM 594 N GLN A 36 -6.783 -7.890 1.818 1.00 0.16 N ATOM 595 CA GLN A 36 -5.463 -8.427 1.566 1.00 0.18 C ATOM 596 C GLN A 36 -5.242 -8.416 0.065 1.00 0.22 C ATOM 597 O GLN A 36 -6.164 -8.706 -0.694 1.00 0.36 O ATOM 598 CB GLN A 36 -5.346 -9.835 2.167 1.00 0.26 C ATOM 599 CG GLN A 36 -6.637 -10.648 1.990 1.00 0.40 C ATOM 600 CD GLN A 36 -6.453 -12.125 2.324 1.00 0.64 C ATOM 601 OE1 GLN A 36 -5.363 -12.676 2.194 1.00 1.25 O ATOM 602 NE2 GLN A 36 -7.526 -12.786 2.745 1.00 1.18 N ATOM 0 H GLN A 36 -7.485 -8.183 1.139 1.00 0.16 H new ATOM 0 HA GLN A 36 -4.690 -7.823 2.041 1.00 0.18 H new ATOM 0 HB2 GLN A 36 -4.518 -10.363 1.694 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -5.110 -9.757 3.228 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -7.415 -10.230 2.628 1.00 0.40 H new ATOM 0 HG3 GLN A 36 -6.983 -10.553 0.961 1.00 0.40 H new ATOM 0 HE21 GLN A 36 -8.418 -12.301 2.843 1.00 1.18 H new ATOM 0 HE22 GLN A 36 -7.458 -13.778 2.970 1.00 1.18 H new ATOM 611 N GLY A 37 -4.036 -8.063 -0.370 1.00 0.20 N ATOM 612 CA GLY A 37 -3.689 -8.157 -1.773 1.00 0.19 C ATOM 613 C GLY A 37 -2.269 -7.670 -1.979 1.00 0.21 C ATOM 614 O GLY A 37 -1.505 -7.555 -1.024 1.00 0.27 O ATOM 0 H GLY A 37 -3.290 -7.712 0.230 1.00 0.20 H new ATOM 0 HA2 GLY A 37 -3.783 -9.188 -2.113 1.00 0.19 H new ATOM 0 HA3 GLY A 37 -4.379 -7.560 -2.369 1.00 0.19 H new ATOM 618 N LEU A 38 -1.901 -7.378 -3.222 1.00 0.20 N ATOM 619 CA LEU A 38 -0.606 -6.800 -3.524 1.00 0.21 C ATOM 620 C LEU A 38 -0.818 -5.570 -4.377 1.00 0.22 C ATOM 621 O LEU A 38 -1.866 -5.392 -4.997 1.00 0.25 O ATOM 622 CB LEU A 38 0.344 -7.835 -4.153 1.00 0.22 C ATOM 623 CG LEU A 38 -0.102 -8.442 -5.499 1.00 0.23 C ATOM 624 CD1 LEU A 38 0.060 -7.500 -6.693 1.00 0.27 C ATOM 625 CD2 LEU A 38 0.750 -9.678 -5.799 1.00 0.25 C ATOM 0 H LEU A 38 -2.490 -7.536 -4.040 1.00 0.20 H new ATOM 0 HA LEU A 38 -0.106 -6.491 -2.606 1.00 0.21 H new ATOM 0 HB2 LEU A 38 1.317 -7.364 -4.295 1.00 0.22 H new ATOM 0 HB3 LEU A 38 0.484 -8.648 -3.441 1.00 0.22 H new ATOM 0 HG LEU A 38 -1.162 -8.667 -5.383 1.00 0.23 H new ATOM 0 HD11 LEU A 38 -0.276 -8.002 -7.601 1.00 0.27 H new ATOM 0 HD12 LEU A 38 -0.538 -6.603 -6.532 1.00 0.27 H new ATOM 0 HD13 LEU A 38 1.109 -7.223 -6.798 1.00 0.27 H new ATOM 0 HD21 LEU A 38 0.440 -10.112 -6.749 1.00 0.25 H new ATOM 0 HD22 LEU A 38 1.800 -9.391 -5.857 1.00 0.25 H new ATOM 0 HD23 LEU A 38 0.618 -10.412 -5.005 1.00 0.25 H new ATOM 637 N ILE A 39 0.199 -4.724 -4.419 1.00 0.22 N ATOM 638 CA ILE A 39 0.188 -3.546 -5.248 1.00 0.22 C ATOM 639 C ILE A 39 1.353 -3.698 -6.209 1.00 0.21 C ATOM 640 O ILE A 39 2.503 -3.819 -5.789 1.00 0.28 O ATOM 641 CB ILE A 39 0.175 -2.267 -4.394 1.00 0.23 C ATOM 642 CG1 ILE A 39 1.164 -2.322 -3.214 1.00 0.24 C ATOM 643 CG2 ILE A 39 -1.255 -2.064 -3.866 1.00 0.22 C ATOM 644 CD1 ILE A 39 1.114 -1.050 -2.368 1.00 0.23 C ATOM 0 H ILE A 39 1.054 -4.842 -3.875 1.00 0.22 H new ATOM 0 HA ILE A 39 -0.722 -3.444 -5.839 1.00 0.22 H new ATOM 0 HB ILE A 39 0.492 -1.434 -5.022 1.00 0.23 H new ATOM 0 HG12 ILE A 39 0.934 -3.184 -2.588 1.00 0.24 H new ATOM 0 HG13 ILE A 39 2.175 -2.465 -3.594 1.00 0.24 H new ATOM 0 HG21 ILE A 39 -1.293 -1.162 -3.256 1.00 0.22 H new ATOM 0 HG22 ILE A 39 -1.942 -1.963 -4.706 1.00 0.22 H new ATOM 0 HG23 ILE A 39 -1.545 -2.923 -3.261 1.00 0.22 H new ATOM 0 HD11 ILE A 39 1.827 -1.131 -1.547 1.00 0.23 H new ATOM 0 HD12 ILE A 39 1.370 -0.191 -2.988 1.00 0.23 H new ATOM 0 HD13 ILE A 39 0.110 -0.920 -1.965 1.00 0.23 H new ATOM 656 N VAL A 40 1.024 -3.811 -7.496 1.00 0.27 N ATOM 657 CA VAL A 40 1.982 -3.914 -8.576 1.00 0.28 C ATOM 658 C VAL A 40 2.492 -2.500 -8.826 1.00 0.31 C ATOM 659 O VAL A 40 1.708 -1.622 -9.189 1.00 0.45 O ATOM 660 CB VAL A 40 1.320 -4.483 -9.845 1.00 0.28 C ATOM 661 CG1 VAL A 40 2.380 -4.795 -10.906 1.00 0.31 C ATOM 662 CG2 VAL A 40 0.548 -5.771 -9.548 1.00 0.31 C ATOM 0 H VAL A 40 0.056 -3.833 -7.816 1.00 0.27 H new ATOM 0 HA VAL A 40 2.796 -4.591 -8.316 1.00 0.28 H new ATOM 0 HB VAL A 40 0.627 -3.725 -10.210 1.00 0.28 H new ATOM 0 HG11 VAL A 40 1.896 -5.196 -11.797 1.00 0.31 H new ATOM 0 HG12 VAL A 40 2.916 -3.882 -11.164 1.00 0.31 H new ATOM 0 HG13 VAL A 40 3.083 -5.529 -10.513 1.00 0.31 H new ATOM 0 HG21 VAL A 40 0.095 -6.143 -10.467 1.00 0.31 H new ATOM 0 HG22 VAL A 40 1.231 -6.521 -9.151 1.00 0.31 H new ATOM 0 HG23 VAL A 40 -0.232 -5.567 -8.815 1.00 0.31 H new ATOM 672 N PRO A 41 3.777 -2.236 -8.600 1.00 0.37 N ATOM 673 CA PRO A 41 4.352 -0.958 -8.939 1.00 0.44 C ATOM 674 C PRO A 41 4.654 -0.895 -10.438 1.00 0.39 C ATOM 675 O PRO A 41 4.502 -1.879 -11.156 1.00 0.43 O ATOM 676 CB PRO A 41 5.623 -0.875 -8.102 1.00 0.65 C ATOM 677 CG PRO A 41 6.043 -2.333 -7.906 1.00 0.74 C ATOM 678 CD PRO A 41 4.759 -3.141 -8.036 1.00 0.55 C ATOM 0 HA PRO A 41 3.683 -0.122 -8.733 1.00 0.44 H new ATOM 0 HB2 PRO A 41 6.398 -0.303 -8.612 1.00 0.65 H new ATOM 0 HB3 PRO A 41 5.439 -0.382 -7.147 1.00 0.65 H new ATOM 0 HG2 PRO A 41 6.776 -2.635 -8.654 1.00 0.74 H new ATOM 0 HG3 PRO A 41 6.504 -2.482 -6.930 1.00 0.74 H new ATOM 0 HD2 PRO A 41 4.906 -4.008 -8.680 1.00 0.55 H new ATOM 0 HD3 PRO A 41 4.433 -3.516 -7.066 1.00 0.55 H new ATOM 686 N ASP A 42 5.124 0.268 -10.883 1.00 0.43 N ATOM 687 CA ASP A 42 5.598 0.508 -12.242 1.00 0.47 C ATOM 688 C ASP A 42 6.959 1.210 -12.173 1.00 0.41 C ATOM 689 O ASP A 42 7.889 0.801 -12.858 1.00 0.41 O ATOM 690 CB ASP A 42 4.569 1.323 -13.041 1.00 0.76 C ATOM 691 CG ASP A 42 3.426 0.454 -13.574 1.00 1.08 C ATOM 692 OD1 ASP A 42 2.352 0.417 -12.934 1.00 1.96 O ATOM 693 OD2 ASP A 42 3.579 -0.179 -14.642 1.00 2.68 O ATOM 0 H ASP A 42 5.187 1.094 -10.288 1.00 0.43 H new ATOM 0 HA ASP A 42 5.721 -0.439 -12.767 1.00 0.47 H new ATOM 0 HB2 ASP A 42 4.159 2.109 -12.406 1.00 0.76 H new ATOM 0 HB3 ASP A 42 5.068 1.815 -13.876 1.00 0.76 H new ATOM 698 N ASN A 43 7.094 2.253 -11.341 1.00 0.44 N ATOM 699 CA ASN A 43 8.355 2.966 -11.124 1.00 0.43 C ATOM 700 C ASN A 43 9.459 2.051 -10.575 1.00 0.39 C ATOM 701 O ASN A 43 10.452 1.827 -11.265 1.00 0.47 O ATOM 702 CB ASN A 43 8.159 4.208 -10.232 1.00 0.47 C ATOM 703 CG ASN A 43 8.199 5.495 -11.041 1.00 0.71 C ATOM 704 OD1 ASN A 43 9.266 5.941 -11.442 1.00 0.87 O ATOM 705 ND2 ASN A 43 7.056 6.111 -11.305 1.00 0.87 N ATOM 0 H ASN A 43 6.319 2.628 -10.794 1.00 0.44 H new ATOM 0 HA ASN A 43 8.689 3.310 -12.103 1.00 0.43 H new ATOM 0 HB2 ASN A 43 7.204 4.135 -9.712 1.00 0.47 H new ATOM 0 HB3 ASN A 43 8.937 4.234 -9.469 1.00 0.47 H new ATOM 0 HD21 ASN A 43 7.055 6.972 -11.851 1.00 0.87 H new ATOM 0 HD22 ASN A 43 6.177 5.724 -10.962 1.00 0.87 H new ATOM 712 N PRO A 44 9.377 1.561 -9.325 1.00 0.30 N ATOM 713 CA PRO A 44 10.413 0.699 -8.783 1.00 0.29 C ATOM 714 C PRO A 44 10.363 -0.668 -9.476 1.00 0.24 C ATOM 715 O PRO A 44 9.346 -1.020 -10.070 1.00 0.25 O ATOM 716 CB PRO A 44 10.130 0.614 -7.280 1.00 0.30 C ATOM 717 CG PRO A 44 8.621 0.801 -7.209 1.00 0.26 C ATOM 718 CD PRO A 44 8.355 1.811 -8.326 1.00 0.26 C ATOM 0 HA PRO A 44 11.420 1.081 -8.952 1.00 0.29 H new ATOM 0 HB2 PRO A 44 10.439 -0.345 -6.864 1.00 0.30 H new ATOM 0 HB3 PRO A 44 10.660 1.388 -6.724 1.00 0.30 H new ATOM 0 HG2 PRO A 44 8.089 -0.136 -7.375 1.00 0.26 H new ATOM 0 HG3 PRO A 44 8.305 1.180 -6.237 1.00 0.26 H new ATOM 0 HD2 PRO A 44 7.357 1.680 -8.744 1.00 0.26 H new ATOM 0 HD3 PRO A 44 8.413 2.833 -7.953 1.00 0.26 H new ATOM 726 N PRO A 45 11.449 -1.449 -9.383 1.00 0.27 N ATOM 727 CA PRO A 45 11.645 -2.701 -10.106 1.00 0.26 C ATOM 728 C PRO A 45 10.532 -3.716 -9.842 1.00 0.32 C ATOM 729 O PRO A 45 10.616 -4.520 -8.911 1.00 0.61 O ATOM 730 CB PRO A 45 13.041 -3.198 -9.723 1.00 0.29 C ATOM 731 CG PRO A 45 13.355 -2.438 -8.445 1.00 0.32 C ATOM 732 CD PRO A 45 12.642 -1.110 -8.636 1.00 0.33 C ATOM 0 HA PRO A 45 11.586 -2.548 -11.184 1.00 0.26 H new ATOM 0 HB2 PRO A 45 13.052 -4.276 -9.561 1.00 0.29 H new ATOM 0 HB3 PRO A 45 13.770 -2.986 -10.505 1.00 0.29 H new ATOM 0 HG2 PRO A 45 12.990 -2.966 -7.564 1.00 0.32 H new ATOM 0 HG3 PRO A 45 14.428 -2.302 -8.313 1.00 0.32 H new ATOM 0 HD2 PRO A 45 12.395 -0.650 -7.679 1.00 0.33 H new ATOM 0 HD3 PRO A 45 13.264 -0.399 -9.180 1.00 0.33 H new ATOM 740 N TYR A 46 9.506 -3.682 -10.696 1.00 0.34 N ATOM 741 CA TYR A 46 8.316 -4.511 -10.586 1.00 0.37 C ATOM 742 C TYR A 46 8.466 -5.803 -11.385 1.00 0.36 C ATOM 743 O TYR A 46 7.803 -6.793 -11.101 1.00 0.70 O ATOM 744 CB TYR A 46 7.075 -3.725 -11.034 1.00 0.46 C ATOM 745 CG TYR A 46 6.710 -3.859 -12.496 1.00 0.52 C ATOM 746 CD1 TYR A 46 5.696 -4.758 -12.873 1.00 1.77 C ATOM 747 CD2 TYR A 46 7.389 -3.109 -13.471 1.00 1.52 C ATOM 748 CE1 TYR A 46 5.366 -4.930 -14.228 1.00 2.17 C ATOM 749 CE2 TYR A 46 7.065 -3.274 -14.828 1.00 1.62 C ATOM 750 CZ TYR A 46 6.057 -4.185 -15.213 1.00 1.46 C ATOM 751 OH TYR A 46 5.751 -4.335 -16.533 1.00 1.97 O ATOM 0 H TYR A 46 9.485 -3.058 -11.503 1.00 0.34 H new ATOM 0 HA TYR A 46 8.189 -4.788 -9.539 1.00 0.37 H new ATOM 0 HB2 TYR A 46 6.225 -4.050 -10.434 1.00 0.46 H new ATOM 0 HB3 TYR A 46 7.236 -2.670 -10.813 1.00 0.46 H new ATOM 0 HD1 TYR A 46 5.168 -5.319 -12.116 1.00 1.77 H new ATOM 0 HD2 TYR A 46 8.157 -2.408 -13.178 1.00 1.52 H new ATOM 0 HE1 TYR A 46 4.591 -5.625 -14.515 1.00 2.17 H new ATOM 0 HE2 TYR A 46 7.589 -2.702 -15.580 1.00 1.62 H new ATOM 0 HH TYR A 46 6.322 -3.746 -17.070 1.00 1.97 H new ATOM 761 N ASP A 47 9.345 -5.848 -12.386 1.00 0.40 N ATOM 762 CA ASP A 47 9.502 -7.055 -13.194 1.00 0.41 C ATOM 763 C ASP A 47 9.842 -8.265 -12.317 1.00 0.41 C ATOM 764 O ASP A 47 9.488 -9.397 -12.652 1.00 0.56 O ATOM 765 CB ASP A 47 10.570 -6.833 -14.272 1.00 0.51 C ATOM 766 CG ASP A 47 10.170 -5.700 -15.203 1.00 1.44 C ATOM 767 OD1 ASP A 47 10.396 -4.546 -14.773 1.00 2.85 O ATOM 768 OD2 ASP A 47 9.653 -6.009 -16.295 1.00 2.21 O ATOM 0 H ASP A 47 9.952 -5.073 -12.654 1.00 0.40 H new ATOM 0 HA ASP A 47 8.554 -7.267 -13.688 1.00 0.41 H new ATOM 0 HB2 ASP A 47 11.526 -6.603 -13.801 1.00 0.51 H new ATOM 0 HB3 ASP A 47 10.710 -7.749 -14.846 1.00 0.51 H new ATOM 773 N LYS A 48 10.528 -8.014 -11.192 1.00 0.34 N ATOM 774 CA LYS A 48 11.006 -9.047 -10.279 1.00 0.31 C ATOM 775 C LYS A 48 9.943 -9.429 -9.243 1.00 0.29 C ATOM 776 O LYS A 48 10.104 -10.453 -8.586 1.00 0.34 O ATOM 777 CB LYS A 48 12.321 -8.611 -9.592 1.00 0.39 C ATOM 778 CG LYS A 48 13.503 -8.485 -10.568 1.00 0.53 C ATOM 779 CD LYS A 48 13.437 -7.229 -11.447 1.00 1.11 C ATOM 780 CE LYS A 48 14.758 -7.009 -12.182 1.00 1.24 C ATOM 781 NZ LYS A 48 14.713 -7.329 -13.620 1.00 2.26 N ATOM 0 H LYS A 48 10.767 -7.069 -10.892 1.00 0.34 H new ATOM 0 HA LYS A 48 11.211 -9.937 -10.873 1.00 0.31 H new ATOM 0 HB2 LYS A 48 12.164 -7.653 -9.097 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.575 -9.333 -8.816 1.00 0.39 H new ATOM 0 HG2 LYS A 48 14.433 -8.474 -10.000 1.00 0.53 H new ATOM 0 HG3 LYS A 48 13.531 -9.367 -11.209 1.00 0.53 H new ATOM 0 HD2 LYS A 48 12.626 -7.328 -12.169 1.00 1.11 H new ATOM 0 HD3 LYS A 48 13.210 -6.360 -10.830 1.00 1.11 H new ATOM 0 HE2 LYS A 48 15.058 -5.968 -12.063 1.00 1.24 H new ATOM 0 HE3 LYS A 48 15.529 -7.618 -11.710 1.00 1.24 H new ATOM 0 HZ1 LYS A 48 15.646 -7.153 -14.044 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 14.459 -8.330 -13.745 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 14.002 -6.730 -14.087 1.00 2.26 H new ATOM 795 N GLY A 49 8.886 -8.632 -9.049 1.00 0.30 N ATOM 796 CA GLY A 49 7.901 -8.875 -8.002 1.00 0.32 C ATOM 797 C GLY A 49 7.113 -7.609 -7.655 1.00 0.33 C ATOM 798 O GLY A 49 7.140 -6.626 -8.388 1.00 0.41 O ATOM 0 H GLY A 49 8.694 -7.805 -9.614 1.00 0.30 H new ATOM 0 HA2 GLY A 49 7.211 -9.654 -8.326 1.00 0.32 H new ATOM 0 HA3 GLY A 49 8.404 -9.246 -7.109 1.00 0.32 H new ATOM 802 N ALA A 50 6.395 -7.624 -6.534 1.00 0.29 N ATOM 803 CA ALA A 50 5.531 -6.551 -6.066 1.00 0.32 C ATOM 804 C ALA A 50 5.662 -6.463 -4.549 1.00 0.25 C ATOM 805 O ALA A 50 6.547 -7.076 -3.956 1.00 0.21 O ATOM 806 CB ALA A 50 4.079 -6.834 -6.490 1.00 0.44 C ATOM 0 H ALA A 50 6.403 -8.423 -5.900 1.00 0.29 H new ATOM 0 HA ALA A 50 5.822 -5.597 -6.505 1.00 0.32 H new ATOM 0 HB1 ALA A 50 3.434 -6.029 -6.138 1.00 0.44 H new ATOM 0 HB2 ALA A 50 4.023 -6.896 -7.577 1.00 0.44 H new ATOM 0 HB3 ALA A 50 3.751 -7.778 -6.056 1.00 0.44 H new ATOM 812 N PHE A 51 4.759 -5.724 -3.910 1.00 0.34 N ATOM 813 CA PHE A 51 4.774 -5.509 -2.481 1.00 0.35 C ATOM 814 C PHE A 51 3.399 -5.899 -1.963 1.00 0.36 C ATOM 815 O PHE A 51 2.386 -5.398 -2.455 1.00 0.35 O ATOM 816 CB PHE A 51 5.133 -4.046 -2.205 1.00 0.53 C ATOM 817 CG PHE A 51 6.470 -3.652 -2.817 1.00 0.59 C ATOM 818 CD1 PHE A 51 7.647 -4.223 -2.307 1.00 1.54 C ATOM 819 CD2 PHE A 51 6.547 -2.823 -3.954 1.00 2.39 C ATOM 820 CE1 PHE A 51 8.877 -4.051 -2.965 1.00 1.44 C ATOM 821 CE2 PHE A 51 7.789 -2.609 -4.587 1.00 2.95 C ATOM 822 CZ PHE A 51 8.944 -3.262 -4.124 1.00 1.76 C ATOM 0 H PHE A 51 3.988 -5.254 -4.385 1.00 0.34 H new ATOM 0 HA PHE A 51 5.522 -6.113 -1.967 1.00 0.35 H new ATOM 0 HB2 PHE A 51 4.350 -3.401 -2.603 1.00 0.53 H new ATOM 0 HB3 PHE A 51 5.166 -3.880 -1.128 1.00 0.53 H new ATOM 0 HD1 PHE A 51 7.607 -4.802 -1.396 1.00 1.54 H new ATOM 0 HD2 PHE A 51 5.655 -2.352 -4.340 1.00 2.39 H new ATOM 0 HE1 PHE A 51 9.768 -4.525 -2.580 1.00 1.44 H new ATOM 0 HE2 PHE A 51 7.853 -1.940 -5.432 1.00 2.95 H new ATOM 0 HZ PHE A 51 9.878 -3.157 -4.657 1.00 1.76 H new ATOM 832 N ARG A 52 3.343 -6.847 -1.029 1.00 0.41 N ATOM 833 CA ARG A 52 2.074 -7.301 -0.488 1.00 0.37 C ATOM 834 C ARG A 52 1.692 -6.404 0.660 1.00 0.34 C ATOM 835 O ARG A 52 2.549 -6.094 1.491 1.00 0.42 O ATOM 836 CB ARG A 52 2.194 -8.718 0.051 1.00 0.49 C ATOM 837 CG ARG A 52 0.805 -9.310 0.261 1.00 0.57 C ATOM 838 CD ARG A 52 0.897 -10.808 0.542 1.00 0.57 C ATOM 839 NE ARG A 52 -0.392 -11.347 0.999 1.00 0.87 N ATOM 840 CZ ARG A 52 -0.820 -12.604 0.814 1.00 1.30 C ATOM 841 NH1 ARG A 52 -1.939 -13.014 1.418 1.00 1.80 N ATOM 842 NH2 ARG A 52 -0.139 -13.447 0.031 1.00 1.81 N ATOM 0 H ARG A 52 4.162 -7.311 -0.636 1.00 0.41 H new ATOM 0 HA ARG A 52 1.328 -7.276 -1.282 1.00 0.37 H new ATOM 0 HB2 ARG A 52 2.761 -9.335 -0.646 1.00 0.49 H new ATOM 0 HB3 ARG A 52 2.744 -8.714 0.992 1.00 0.49 H new ATOM 0 HG2 ARG A 52 0.312 -8.808 1.093 1.00 0.57 H new ATOM 0 HG3 ARG A 52 0.192 -9.137 -0.624 1.00 0.57 H new ATOM 0 HD2 ARG A 52 1.212 -11.331 -0.361 1.00 0.57 H new ATOM 0 HD3 ARG A 52 1.659 -10.992 1.299 1.00 0.57 H new ATOM 0 HE ARG A 52 -1.013 -10.711 1.499 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -2.461 -12.372 2.015 1.00 1.80 H new ATOM 0 HH12 ARG A 52 -2.271 -13.969 1.282 1.00 1.80 H new ATOM 0 HH21 ARG A 52 0.715 -13.136 -0.432 1.00 1.81 H new ATOM 0 HH22 ARG A 52 -0.473 -14.401 -0.103 1.00 1.81 H new ATOM 856 N ILE A 53 0.413 -6.064 0.764 1.00 0.24 N ATOM 857 CA ILE A 53 -0.065 -5.250 1.853 1.00 0.22 C ATOM 858 C ILE A 53 -1.387 -5.800 2.367 1.00 0.20 C ATOM 859 O ILE A 53 -2.101 -6.521 1.669 1.00 0.24 O ATOM 860 CB ILE A 53 -0.149 -3.778 1.417 1.00 0.25 C ATOM 861 CG1 ILE A 53 -1.208 -3.503 0.342 1.00 0.21 C ATOM 862 CG2 ILE A 53 1.211 -3.330 0.865 1.00 0.31 C ATOM 863 CD1 ILE A 53 -1.555 -2.015 0.346 1.00 0.24 C ATOM 0 H ILE A 53 -0.308 -6.345 0.099 1.00 0.24 H new ATOM 0 HA ILE A 53 0.638 -5.287 2.685 1.00 0.22 H new ATOM 0 HB ILE A 53 -0.436 -3.220 2.308 1.00 0.25 H new ATOM 0 HG12 ILE A 53 -0.834 -3.798 -0.638 1.00 0.21 H new ATOM 0 HG13 ILE A 53 -2.101 -4.097 0.534 1.00 0.21 H new ATOM 0 HG21 ILE A 53 1.152 -2.286 0.556 1.00 0.31 H new ATOM 0 HG22 ILE A 53 1.971 -3.437 1.639 1.00 0.31 H new ATOM 0 HG23 ILE A 53 1.477 -3.948 0.008 1.00 0.31 H new ATOM 0 HD11 ILE A 53 -2.308 -1.815 -0.417 1.00 0.24 H new ATOM 0 HD12 ILE A 53 -1.946 -1.735 1.324 1.00 0.24 H new ATOM 0 HD13 ILE A 53 -0.659 -1.432 0.133 1.00 0.24 H new ATOM 875 N GLU A 54 -1.701 -5.450 3.606 1.00 0.20 N ATOM 876 CA GLU A 54 -2.914 -5.868 4.274 1.00 0.20 C ATOM 877 C GLU A 54 -3.494 -4.607 4.895 1.00 0.21 C ATOM 878 O GLU A 54 -2.799 -3.921 5.648 1.00 0.36 O ATOM 879 CB GLU A 54 -2.530 -6.944 5.292 1.00 0.22 C ATOM 880 CG GLU A 54 -3.719 -7.504 6.073 1.00 0.31 C ATOM 881 CD GLU A 54 -3.269 -8.724 6.876 1.00 0.69 C ATOM 882 OE1 GLU A 54 -2.260 -8.578 7.607 1.00 1.19 O ATOM 883 OE2 GLU A 54 -3.881 -9.798 6.704 1.00 2.50 O ATOM 0 H GLU A 54 -1.105 -4.856 4.182 1.00 0.20 H new ATOM 0 HA GLU A 54 -3.668 -6.310 3.623 1.00 0.20 H new ATOM 0 HB2 GLU A 54 -2.031 -7.762 4.772 1.00 0.22 H new ATOM 0 HB3 GLU A 54 -1.809 -6.526 5.995 1.00 0.22 H new ATOM 0 HG2 GLU A 54 -4.120 -6.742 6.742 1.00 0.31 H new ATOM 0 HG3 GLU A 54 -4.520 -7.781 5.388 1.00 0.31 H new ATOM 890 N ILE A 55 -4.722 -4.253 4.516 1.00 0.16 N ATOM 891 CA ILE A 55 -5.369 -3.026 4.948 1.00 0.16 C ATOM 892 C ILE A 55 -6.436 -3.448 5.941 1.00 0.18 C ATOM 893 O ILE A 55 -7.095 -4.462 5.747 1.00 0.56 O ATOM 894 CB ILE A 55 -6.015 -2.261 3.774 1.00 0.17 C ATOM 895 CG1 ILE A 55 -5.151 -2.266 2.493 1.00 0.21 C ATOM 896 CG2 ILE A 55 -6.309 -0.815 4.209 1.00 0.24 C ATOM 897 CD1 ILE A 55 -5.664 -3.277 1.466 1.00 0.62 C ATOM 0 H ILE A 55 -5.297 -4.820 3.893 1.00 0.16 H new ATOM 0 HA ILE A 55 -4.637 -2.347 5.385 1.00 0.16 H new ATOM 0 HB ILE A 55 -6.940 -2.779 3.522 1.00 0.17 H new ATOM 0 HG12 ILE A 55 -5.149 -1.269 2.052 1.00 0.21 H new ATOM 0 HG13 ILE A 55 -4.119 -2.502 2.752 1.00 0.21 H new ATOM 0 HG21 ILE A 55 -6.766 -0.272 3.382 1.00 0.24 H new ATOM 0 HG22 ILE A 55 -6.992 -0.822 5.059 1.00 0.24 H new ATOM 0 HG23 ILE A 55 -5.378 -0.325 4.495 1.00 0.24 H new ATOM 0 HD11 ILE A 55 -5.030 -3.250 0.580 1.00 0.62 H new ATOM 0 HD12 ILE A 55 -5.641 -4.278 1.898 1.00 0.62 H new ATOM 0 HD13 ILE A 55 -6.687 -3.025 1.187 1.00 0.62 H new ATOM 909 N ASN A 56 -6.629 -2.678 7.001 1.00 0.55 N ATOM 910 CA ASN A 56 -7.473 -3.077 8.105 1.00 0.45 C ATOM 911 C ASN A 56 -8.519 -1.996 8.213 1.00 0.43 C ATOM 912 O ASN A 56 -8.211 -0.878 8.626 1.00 0.47 O ATOM 913 CB ASN A 56 -6.657 -3.220 9.399 1.00 0.48 C ATOM 914 CG ASN A 56 -5.626 -4.335 9.300 1.00 0.49 C ATOM 915 OD1 ASN A 56 -5.771 -5.381 9.916 1.00 1.99 O ATOM 916 ND2 ASN A 56 -4.574 -4.132 8.520 1.00 1.79 N ATOM 0 H ASN A 56 -6.202 -1.759 7.115 1.00 0.55 H new ATOM 0 HA ASN A 56 -7.930 -4.053 7.942 1.00 0.45 H new ATOM 0 HB2 ASN A 56 -6.153 -2.278 9.616 1.00 0.48 H new ATOM 0 HB3 ASN A 56 -7.330 -3.421 10.232 1.00 0.48 H new ATOM 0 HD21 ASN A 56 -3.863 -4.857 8.424 1.00 1.79 H new ATOM 0 HD22 ASN A 56 -4.475 -3.251 8.016 1.00 1.79 H new ATOM 923 N PHE A 57 -9.732 -2.331 7.782 1.00 0.38 N ATOM 924 CA PHE A 57 -10.826 -1.388 7.631 1.00 0.42 C ATOM 925 C PHE A 57 -11.935 -1.816 8.588 1.00 0.42 C ATOM 926 O PHE A 57 -12.894 -2.467 8.184 1.00 0.51 O ATOM 927 CB PHE A 57 -11.262 -1.349 6.154 1.00 0.42 C ATOM 928 CG PHE A 57 -11.027 -0.017 5.481 1.00 0.50 C ATOM 929 CD1 PHE A 57 -9.826 0.215 4.793 1.00 1.72 C ATOM 930 CD2 PHE A 57 -12.017 0.980 5.518 1.00 1.91 C ATOM 931 CE1 PHE A 57 -9.615 1.441 4.143 1.00 1.80 C ATOM 932 CE2 PHE A 57 -11.813 2.203 4.855 1.00 2.03 C ATOM 933 CZ PHE A 57 -10.608 2.434 4.172 1.00 0.98 C ATOM 0 H PHE A 57 -9.983 -3.285 7.524 1.00 0.38 H new ATOM 0 HA PHE A 57 -10.537 -0.369 7.888 1.00 0.42 H new ATOM 0 HB2 PHE A 57 -10.723 -2.122 5.606 1.00 0.42 H new ATOM 0 HB3 PHE A 57 -12.322 -1.594 6.092 1.00 0.42 H new ATOM 0 HD1 PHE A 57 -9.064 -0.550 4.764 1.00 1.72 H new ATOM 0 HD2 PHE A 57 -12.937 0.806 6.057 1.00 1.91 H new ATOM 0 HE1 PHE A 57 -8.688 1.621 3.620 1.00 1.80 H new ATOM 0 HE2 PHE A 57 -12.581 2.962 4.871 1.00 2.03 H new ATOM 0 HZ PHE A 57 -10.445 3.376 3.669 1.00 0.98 H new ATOM 943 N PRO A 58 -11.808 -1.500 9.883 1.00 0.38 N ATOM 944 CA PRO A 58 -12.737 -1.989 10.883 1.00 0.39 C ATOM 945 C PRO A 58 -14.125 -1.397 10.652 1.00 0.37 C ATOM 946 O PRO A 58 -14.307 -0.469 9.864 1.00 0.34 O ATOM 947 CB PRO A 58 -12.135 -1.573 12.230 1.00 0.41 C ATOM 948 CG PRO A 58 -11.307 -0.338 11.881 1.00 0.40 C ATOM 949 CD PRO A 58 -10.777 -0.676 10.488 1.00 0.36 C ATOM 0 HA PRO A 58 -12.872 -3.070 10.842 1.00 0.39 H new ATOM 0 HB2 PRO A 58 -12.909 -1.344 12.963 1.00 0.41 H new ATOM 0 HB3 PRO A 58 -11.517 -2.364 12.656 1.00 0.41 H new ATOM 0 HG2 PRO A 58 -11.913 0.568 11.876 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -10.499 -0.177 12.594 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -10.600 0.227 9.903 1.00 0.36 H new ATOM 0 HD3 PRO A 58 -9.828 -1.210 10.546 1.00 0.36 H new ATOM 957 N ALA A 59 -15.122 -1.897 11.386 1.00 0.40 N ATOM 958 CA ALA A 59 -16.459 -1.319 11.347 1.00 0.39 C ATOM 959 C ALA A 59 -16.403 0.172 11.662 1.00 0.35 C ATOM 960 O ALA A 59 -17.159 0.958 11.102 1.00 0.35 O ATOM 961 CB ALA A 59 -17.369 -2.033 12.338 1.00 0.43 C ATOM 0 H ALA A 59 -15.025 -2.698 12.011 1.00 0.40 H new ATOM 0 HA ALA A 59 -16.864 -1.447 10.343 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -18.365 -1.592 12.300 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -17.430 -3.090 12.080 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -16.964 -1.928 13.345 1.00 0.43 H new ATOM 967 N GLU A 60 -15.470 0.542 12.536 1.00 0.31 N ATOM 968 CA GLU A 60 -15.189 1.900 12.954 1.00 0.26 C ATOM 969 C GLU A 60 -14.462 2.710 11.877 1.00 0.22 C ATOM 970 O GLU A 60 -13.875 3.732 12.204 1.00 0.22 O ATOM 971 CB GLU A 60 -14.304 1.840 14.202 1.00 0.30 C ATOM 972 CG GLU A 60 -14.951 1.048 15.335 1.00 0.42 C ATOM 973 CD GLU A 60 -14.006 1.050 16.533 1.00 0.56 C ATOM 974 OE1 GLU A 60 -14.297 1.789 17.497 1.00 1.68 O ATOM 975 OE2 GLU A 60 -12.978 0.342 16.435 1.00 1.88 O ATOM 0 H GLU A 60 -14.862 -0.138 12.992 1.00 0.31 H new ATOM 0 HA GLU A 60 -16.140 2.396 13.150 1.00 0.26 H new ATOM 0 HB2 GLU A 60 -13.347 1.385 13.944 1.00 0.30 H new ATOM 0 HB3 GLU A 60 -14.094 2.853 14.544 1.00 0.30 H new ATOM 0 HG2 GLU A 60 -15.908 1.492 15.608 1.00 0.42 H new ATOM 0 HG3 GLU A 60 -15.153 0.026 15.015 1.00 0.42 H new ATOM 982 N TYR A 61 -14.503 2.329 10.599 1.00 0.23 N ATOM 983 CA TYR A 61 -13.897 3.145 9.548 1.00 0.26 C ATOM 984 C TYR A 61 -14.360 4.614 9.592 1.00 0.25 C ATOM 985 O TYR A 61 -13.526 5.513 9.494 1.00 0.26 O ATOM 986 CB TYR A 61 -14.059 2.482 8.167 1.00 0.41 C ATOM 987 CG TYR A 61 -14.713 3.330 7.091 1.00 0.38 C ATOM 988 CD1 TYR A 61 -14.047 4.461 6.586 1.00 1.95 C ATOM 989 CD2 TYR A 61 -16.005 3.019 6.629 1.00 1.90 C ATOM 990 CE1 TYR A 61 -14.683 5.296 5.654 1.00 1.89 C ATOM 991 CE2 TYR A 61 -16.643 3.843 5.690 1.00 2.00 C ATOM 992 CZ TYR A 61 -15.986 4.991 5.200 1.00 0.55 C ATOM 993 OH TYR A 61 -16.620 5.786 4.295 1.00 0.68 O ATOM 0 H TYR A 61 -14.944 1.470 10.270 1.00 0.23 H new ATOM 0 HA TYR A 61 -12.826 3.191 9.743 1.00 0.26 H new ATOM 0 HB2 TYR A 61 -13.073 2.180 7.814 1.00 0.41 H new ATOM 0 HB3 TYR A 61 -14.646 1.572 8.290 1.00 0.41 H new ATOM 0 HD1 TYR A 61 -13.044 4.688 6.916 1.00 1.95 H new ATOM 0 HD2 TYR A 61 -16.509 2.139 7.000 1.00 1.90 H new ATOM 0 HE1 TYR A 61 -14.175 6.174 5.283 1.00 1.89 H new ATOM 0 HE2 TYR A 61 -17.636 3.599 5.343 1.00 2.00 H new ATOM 0 HH TYR A 61 -16.403 6.724 4.475 1.00 0.68 H new ATOM 1003 N PRO A 62 -15.659 4.925 9.738 1.00 0.27 N ATOM 1004 CA PRO A 62 -16.072 6.316 9.782 1.00 0.30 C ATOM 1005 C PRO A 62 -15.736 6.963 11.133 1.00 0.29 C ATOM 1006 O PRO A 62 -15.854 8.174 11.264 1.00 0.35 O ATOM 1007 CB PRO A 62 -17.572 6.293 9.492 1.00 0.34 C ATOM 1008 CG PRO A 62 -18.021 4.950 10.063 1.00 0.34 C ATOM 1009 CD PRO A 62 -16.807 4.040 9.876 1.00 0.30 C ATOM 0 HA PRO A 62 -15.542 6.927 9.051 1.00 0.30 H new ATOM 0 HB2 PRO A 62 -18.087 7.126 9.971 1.00 0.34 H new ATOM 0 HB3 PRO A 62 -17.776 6.364 8.424 1.00 0.34 H new ATOM 0 HG2 PRO A 62 -18.296 5.036 11.114 1.00 0.34 H new ATOM 0 HG3 PRO A 62 -18.893 4.564 9.535 1.00 0.34 H new ATOM 0 HD2 PRO A 62 -16.685 3.373 10.729 1.00 0.30 H new ATOM 0 HD3 PRO A 62 -16.923 3.411 8.993 1.00 0.30 H new ATOM 1017 N PHE A 63 -15.311 6.178 12.128 1.00 0.26 N ATOM 1018 CA PHE A 63 -14.924 6.616 13.465 1.00 0.26 C ATOM 1019 C PHE A 63 -13.415 6.847 13.600 1.00 0.26 C ATOM 1020 O PHE A 63 -12.997 7.616 14.460 1.00 0.32 O ATOM 1021 CB PHE A 63 -15.371 5.566 14.493 1.00 0.29 C ATOM 1022 CG PHE A 63 -16.610 5.959 15.263 1.00 0.36 C ATOM 1023 CD1 PHE A 63 -17.887 5.695 14.736 1.00 1.94 C ATOM 1024 CD2 PHE A 63 -16.483 6.588 16.514 1.00 1.77 C ATOM 1025 CE1 PHE A 63 -19.034 6.053 15.464 1.00 2.01 C ATOM 1026 CE2 PHE A 63 -17.629 6.944 17.243 1.00 1.79 C ATOM 1027 CZ PHE A 63 -18.906 6.676 16.718 1.00 0.69 C ATOM 0 H PHE A 63 -15.225 5.168 12.012 1.00 0.26 H new ATOM 0 HA PHE A 63 -15.415 7.572 13.647 1.00 0.26 H new ATOM 0 HB2 PHE A 63 -15.557 4.623 13.979 1.00 0.29 H new ATOM 0 HB3 PHE A 63 -14.557 5.390 15.197 1.00 0.29 H new ATOM 0 HD1 PHE A 63 -17.986 5.217 13.772 1.00 1.94 H new ATOM 0 HD2 PHE A 63 -15.502 6.798 16.915 1.00 1.77 H new ATOM 0 HE1 PHE A 63 -20.015 5.850 15.060 1.00 2.01 H new ATOM 0 HE2 PHE A 63 -17.530 7.423 18.206 1.00 1.79 H new ATOM 0 HZ PHE A 63 -19.788 6.949 17.278 1.00 0.69 H new ATOM 1037 N LYS A 64 -12.578 6.163 12.817 1.00 0.22 N ATOM 1038 CA LYS A 64 -11.128 6.267 12.929 1.00 0.23 C ATOM 1039 C LYS A 64 -10.511 5.806 11.617 1.00 0.24 C ATOM 1040 O LYS A 64 -11.093 4.970 10.932 1.00 0.26 O ATOM 1041 CB LYS A 64 -10.618 5.398 14.092 1.00 0.26 C ATOM 1042 CG LYS A 64 -11.003 3.915 13.947 1.00 1.32 C ATOM 1043 CD LYS A 64 -10.415 3.046 15.065 1.00 1.58 C ATOM 1044 CE LYS A 64 -9.132 2.323 14.632 1.00 2.83 C ATOM 1045 NZ LYS A 64 -8.065 3.244 14.181 1.00 3.91 N ATOM 0 H LYS A 64 -12.890 5.522 12.088 1.00 0.22 H new ATOM 0 HA LYS A 64 -10.845 7.300 13.131 1.00 0.23 H new ATOM 0 HB2 LYS A 64 -9.533 5.482 14.153 1.00 0.26 H new ATOM 0 HB3 LYS A 64 -11.020 5.782 15.029 1.00 0.26 H new ATOM 0 HG2 LYS A 64 -12.089 3.822 13.952 1.00 1.32 H new ATOM 0 HG3 LYS A 64 -10.656 3.545 12.982 1.00 1.32 H new ATOM 0 HD2 LYS A 64 -10.202 3.671 15.932 1.00 1.58 H new ATOM 0 HD3 LYS A 64 -11.156 2.310 15.377 1.00 1.58 H new ATOM 0 HE2 LYS A 64 -8.760 1.727 15.466 1.00 2.83 H new ATOM 0 HE3 LYS A 64 -9.369 1.629 13.825 1.00 2.83 H new ATOM 0 HZ1 LYS A 64 -7.144 2.765 14.243 1.00 3.91 H new ATOM 0 HZ2 LYS A 64 -8.243 3.526 13.196 1.00 3.91 H new ATOM 0 HZ3 LYS A 64 -8.057 4.089 14.787 1.00 3.91 H new ATOM 1059 N PRO A 65 -9.316 6.284 11.263 1.00 0.24 N ATOM 1060 CA PRO A 65 -8.692 5.838 10.040 1.00 0.25 C ATOM 1061 C PRO A 65 -8.270 4.365 10.167 1.00 0.23 C ATOM 1062 O PRO A 65 -7.995 3.882 11.277 1.00 0.25 O ATOM 1063 CB PRO A 65 -7.517 6.788 9.815 1.00 0.27 C ATOM 1064 CG PRO A 65 -7.153 7.256 11.223 1.00 0.28 C ATOM 1065 CD PRO A 65 -8.492 7.251 11.963 1.00 0.25 C ATOM 0 HA PRO A 65 -9.363 5.868 9.181 1.00 0.25 H new ATOM 0 HB2 PRO A 65 -6.680 6.283 9.333 1.00 0.27 H new ATOM 0 HB3 PRO A 65 -7.796 7.625 9.175 1.00 0.27 H new ATOM 0 HG2 PRO A 65 -6.433 6.587 11.694 1.00 0.28 H new ATOM 0 HG3 PRO A 65 -6.705 8.250 11.212 1.00 0.28 H new ATOM 0 HD2 PRO A 65 -8.362 6.972 13.009 1.00 0.25 H new ATOM 0 HD3 PRO A 65 -8.951 8.240 11.951 1.00 0.25 H new ATOM 1073 N PRO A 66 -8.235 3.661 9.026 1.00 0.23 N ATOM 1074 CA PRO A 66 -7.769 2.288 8.883 1.00 0.25 C ATOM 1075 C PRO A 66 -6.248 2.231 9.035 1.00 0.24 C ATOM 1076 O PRO A 66 -5.576 3.261 9.059 1.00 0.26 O ATOM 1077 CB PRO A 66 -8.205 1.861 7.477 1.00 0.35 C ATOM 1078 CG PRO A 66 -8.173 3.176 6.710 1.00 0.38 C ATOM 1079 CD PRO A 66 -8.612 4.206 7.737 1.00 0.32 C ATOM 0 HA PRO A 66 -8.181 1.626 9.644 1.00 0.25 H new ATOM 0 HB2 PRO A 66 -7.526 1.124 7.048 1.00 0.35 H new ATOM 0 HB3 PRO A 66 -9.200 1.416 7.478 1.00 0.35 H new ATOM 0 HG2 PRO A 66 -7.175 3.392 6.328 1.00 0.38 H new ATOM 0 HG3 PRO A 66 -8.845 3.155 5.852 1.00 0.38 H new ATOM 0 HD2 PRO A 66 -8.127 5.166 7.561 1.00 0.32 H new ATOM 0 HD3 PRO A 66 -9.687 4.378 7.684 1.00 0.32 H new ATOM 1087 N LYS A 67 -5.689 1.021 9.105 1.00 0.26 N ATOM 1088 CA LYS A 67 -4.252 0.818 9.267 1.00 0.25 C ATOM 1089 C LYS A 67 -3.780 -0.205 8.248 1.00 0.28 C ATOM 1090 O LYS A 67 -4.505 -1.144 7.931 1.00 0.53 O ATOM 1091 CB LYS A 67 -3.945 0.362 10.703 1.00 0.41 C ATOM 1092 CG LYS A 67 -3.824 1.569 11.647 1.00 1.26 C ATOM 1093 CD LYS A 67 -2.367 1.875 12.026 1.00 1.31 C ATOM 1094 CE LYS A 67 -2.003 1.125 13.313 1.00 1.96 C ATOM 1095 NZ LYS A 67 -0.609 1.381 13.739 1.00 2.15 N ATOM 0 H LYS A 67 -6.223 0.154 9.051 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.719 1.753 9.096 1.00 0.25 H new ATOM 0 HB2 LYS A 67 -4.734 -0.302 11.055 1.00 0.41 H new ATOM 0 HB3 LYS A 67 -3.017 -0.210 10.717 1.00 0.41 H new ATOM 0 HG2 LYS A 67 -4.264 2.445 11.170 1.00 1.26 H new ATOM 0 HG3 LYS A 67 -4.399 1.377 12.553 1.00 1.26 H new ATOM 0 HD2 LYS A 67 -1.700 1.576 11.218 1.00 1.31 H new ATOM 0 HD3 LYS A 67 -2.235 2.948 12.168 1.00 1.31 H new ATOM 0 HE2 LYS A 67 -2.684 1.424 14.110 1.00 1.96 H new ATOM 0 HE3 LYS A 67 -2.142 0.055 13.159 1.00 1.96 H new ATOM 0 HZ1 LYS A 67 -0.410 0.853 14.613 1.00 2.15 H new ATOM 0 HZ2 LYS A 67 0.045 1.072 12.991 1.00 2.15 H new ATOM 0 HZ3 LYS A 67 -0.480 2.398 13.913 1.00 2.15 H new ATOM 1109 N ILE A 68 -2.567 -0.030 7.736 1.00 0.18 N ATOM 1110 CA ILE A 68 -2.015 -0.877 6.694 1.00 0.16 C ATOM 1111 C ILE A 68 -0.716 -1.445 7.238 1.00 0.19 C ATOM 1112 O ILE A 68 -0.052 -0.804 8.057 1.00 0.31 O ATOM 1113 CB ILE A 68 -1.766 -0.088 5.388 1.00 0.15 C ATOM 1114 CG1 ILE A 68 -2.707 1.121 5.231 1.00 0.19 C ATOM 1115 CG2 ILE A 68 -1.902 -1.017 4.176 1.00 0.19 C ATOM 1116 CD1 ILE A 68 -2.290 1.966 4.037 1.00 0.30 C ATOM 0 H ILE A 68 -1.936 0.712 8.038 1.00 0.18 H new ATOM 0 HA ILE A 68 -2.717 -1.671 6.439 1.00 0.16 H new ATOM 0 HB ILE A 68 -0.750 0.303 5.444 1.00 0.15 H new ATOM 0 HG12 ILE A 68 -3.733 0.777 5.100 1.00 0.19 H new ATOM 0 HG13 ILE A 68 -2.687 1.726 6.138 1.00 0.19 H new ATOM 0 HG21 ILE A 68 -1.725 -0.451 3.262 1.00 0.19 H new ATOM 0 HG22 ILE A 68 -1.172 -1.823 4.251 1.00 0.19 H new ATOM 0 HG23 ILE A 68 -2.907 -1.439 4.152 1.00 0.19 H new ATOM 0 HD11 ILE A 68 -2.965 2.816 3.940 1.00 0.30 H new ATOM 0 HD12 ILE A 68 -1.272 2.326 4.184 1.00 0.30 H new ATOM 0 HD13 ILE A 68 -2.334 1.362 3.131 1.00 0.30 H new ATOM 1128 N THR A 69 -0.331 -2.633 6.791 1.00 0.12 N ATOM 1129 CA THR A 69 0.999 -3.138 7.074 1.00 0.13 C ATOM 1130 C THR A 69 1.437 -3.985 5.887 1.00 0.14 C ATOM 1131 O THR A 69 0.693 -4.859 5.435 1.00 0.19 O ATOM 1132 CB THR A 69 0.985 -3.958 8.373 1.00 0.17 C ATOM 1133 OG1 THR A 69 0.203 -3.330 9.367 1.00 0.23 O ATOM 1134 CG2 THR A 69 2.397 -4.122 8.932 1.00 0.20 C ATOM 0 H THR A 69 -0.917 -3.257 6.236 1.00 0.12 H new ATOM 0 HA THR A 69 1.704 -2.319 7.217 1.00 0.13 H new ATOM 0 HB THR A 69 0.561 -4.930 8.123 1.00 0.17 H new ATOM 0 HG1 THR A 69 0.211 -3.874 10.182 1.00 0.23 H new ATOM 0 HG21 THR A 69 2.359 -4.706 9.851 1.00 0.20 H new ATOM 0 HG22 THR A 69 3.020 -4.637 8.201 1.00 0.20 H new ATOM 0 HG23 THR A 69 2.821 -3.140 9.143 1.00 0.20 H new ATOM 1142 N PHE A 70 2.628 -3.720 5.354 1.00 0.14 N ATOM 1143 CA PHE A 70 3.186 -4.528 4.289 1.00 0.14 C ATOM 1144 C PHE A 70 3.600 -5.865 4.889 1.00 0.14 C ATOM 1145 O PHE A 70 4.177 -5.914 5.973 1.00 0.20 O ATOM 1146 CB PHE A 70 4.374 -3.822 3.616 1.00 0.14 C ATOM 1147 CG PHE A 70 4.020 -2.662 2.694 1.00 0.14 C ATOM 1148 CD1 PHE A 70 3.127 -1.640 3.085 1.00 0.13 C ATOM 1149 CD2 PHE A 70 4.583 -2.617 1.404 1.00 0.17 C ATOM 1150 CE1 PHE A 70 2.837 -0.580 2.213 1.00 0.14 C ATOM 1151 CE2 PHE A 70 4.312 -1.543 0.539 1.00 0.18 C ATOM 1152 CZ PHE A 70 3.450 -0.515 0.951 1.00 0.15 C ATOM 0 H PHE A 70 3.223 -2.946 5.649 1.00 0.14 H new ATOM 0 HA PHE A 70 2.441 -4.685 3.509 1.00 0.14 H new ATOM 0 HB2 PHE A 70 5.041 -3.452 4.395 1.00 0.14 H new ATOM 0 HB3 PHE A 70 4.933 -4.560 3.042 1.00 0.14 H new ATOM 0 HD1 PHE A 70 2.665 -1.675 4.061 1.00 0.13 H new ATOM 0 HD2 PHE A 70 5.230 -3.417 1.076 1.00 0.17 H new ATOM 0 HE1 PHE A 70 2.140 0.189 2.513 1.00 0.14 H new ATOM 0 HE2 PHE A 70 4.766 -1.509 -0.440 1.00 0.18 H new ATOM 0 HZ PHE A 70 3.258 0.324 0.299 1.00 0.15 H new ATOM 1162 N LYS A 71 3.277 -6.963 4.206 1.00 0.22 N ATOM 1163 CA LYS A 71 3.733 -8.287 4.607 1.00 0.26 C ATOM 1164 C LYS A 71 5.147 -8.505 4.080 1.00 0.27 C ATOM 1165 O LYS A 71 5.968 -9.137 4.738 1.00 0.31 O ATOM 1166 CB LYS A 71 2.793 -9.378 4.071 1.00 0.30 C ATOM 1167 CG LYS A 71 1.289 -9.104 4.242 1.00 0.39 C ATOM 1168 CD LYS A 71 0.785 -9.175 5.688 1.00 0.59 C ATOM 1169 CE LYS A 71 1.130 -7.919 6.495 1.00 0.92 C ATOM 1170 NZ LYS A 71 0.341 -7.855 7.744 1.00 1.38 N ATOM 0 H LYS A 71 2.697 -6.957 3.367 1.00 0.22 H new ATOM 0 HA LYS A 71 3.730 -8.350 5.695 1.00 0.26 H new ATOM 0 HB2 LYS A 71 2.999 -9.521 3.010 1.00 0.30 H new ATOM 0 HB3 LYS A 71 3.032 -10.316 4.572 1.00 0.30 H new ATOM 0 HG2 LYS A 71 1.066 -8.115 3.842 1.00 0.39 H new ATOM 0 HG3 LYS A 71 0.732 -9.823 3.642 1.00 0.39 H new ATOM 0 HD2 LYS A 71 -0.296 -9.315 5.686 1.00 0.59 H new ATOM 0 HD3 LYS A 71 1.218 -10.047 6.177 1.00 0.59 H new ATOM 0 HE2 LYS A 71 2.194 -7.917 6.733 1.00 0.92 H new ATOM 0 HE3 LYS A 71 0.936 -7.031 5.893 1.00 0.92 H new ATOM 0 HZ1 LYS A 71 0.594 -6.995 8.271 1.00 1.38 H new ATOM 0 HZ2 LYS A 71 -0.673 -7.834 7.513 1.00 1.38 H new ATOM 0 HZ3 LYS A 71 0.546 -8.691 8.327 1.00 1.38 H new ATOM 1184 N THR A 72 5.427 -8.020 2.871 1.00 0.25 N ATOM 1185 CA THR A 72 6.746 -8.171 2.282 1.00 0.26 C ATOM 1186 C THR A 72 7.632 -7.037 2.792 1.00 0.33 C ATOM 1187 O THR A 72 7.134 -5.928 2.986 1.00 0.47 O ATOM 1188 CB THR A 72 6.612 -8.137 0.755 1.00 0.24 C ATOM 1189 OG1 THR A 72 5.949 -6.948 0.364 1.00 0.31 O ATOM 1190 CG2 THR A 72 5.784 -9.336 0.276 1.00 0.22 C ATOM 0 H THR A 72 4.757 -7.521 2.286 1.00 0.25 H new ATOM 0 HA THR A 72 7.200 -9.121 2.562 1.00 0.26 H new ATOM 0 HB THR A 72 7.608 -8.175 0.314 1.00 0.24 H new ATOM 0 HG1 THR A 72 6.584 -6.352 -0.086 1.00 0.31 H new ATOM 0 HG21 THR A 72 5.693 -9.305 -0.810 1.00 0.22 H new ATOM 0 HG22 THR A 72 6.278 -10.261 0.572 1.00 0.22 H new ATOM 0 HG23 THR A 72 4.791 -9.295 0.724 1.00 0.22 H new ATOM 1198 N LYS A 73 8.936 -7.285 2.952 1.00 0.32 N ATOM 1199 CA LYS A 73 9.920 -6.249 3.265 1.00 0.27 C ATOM 1200 C LYS A 73 9.768 -5.053 2.321 1.00 0.35 C ATOM 1201 O LYS A 73 9.354 -5.203 1.171 1.00 0.70 O ATOM 1202 CB LYS A 73 11.341 -6.822 3.145 1.00 0.30 C ATOM 1203 CG LYS A 73 11.953 -7.298 4.464 1.00 0.65 C ATOM 1204 CD LYS A 73 11.078 -8.318 5.195 1.00 0.69 C ATOM 1205 CE LYS A 73 11.937 -9.051 6.228 1.00 0.77 C ATOM 1206 NZ LYS A 73 11.155 -10.055 6.978 1.00 1.81 N ATOM 0 H LYS A 73 9.339 -8.218 2.867 1.00 0.32 H new ATOM 0 HA LYS A 73 9.748 -5.911 4.287 1.00 0.27 H new ATOM 0 HB2 LYS A 73 11.323 -7.658 2.446 1.00 0.30 H new ATOM 0 HB3 LYS A 73 11.990 -6.060 2.713 1.00 0.30 H new ATOM 0 HG2 LYS A 73 12.929 -7.740 4.266 1.00 0.65 H new ATOM 0 HG3 LYS A 73 12.118 -6.438 5.113 1.00 0.65 H new ATOM 0 HD2 LYS A 73 10.243 -7.817 5.685 1.00 0.69 H new ATOM 0 HD3 LYS A 73 10.652 -9.028 4.486 1.00 0.69 H new ATOM 0 HE2 LYS A 73 12.771 -9.541 5.725 1.00 0.77 H new ATOM 0 HE3 LYS A 73 12.364 -8.329 6.924 1.00 0.77 H new ATOM 0 HZ1 LYS A 73 11.645 -10.284 7.866 1.00 1.81 H new ATOM 0 HZ2 LYS A 73 10.212 -9.672 7.192 1.00 1.81 H new ATOM 0 HZ3 LYS A 73 11.057 -10.917 6.405 1.00 1.81 H new ATOM 1220 N ILE A 74 10.153 -3.871 2.805 1.00 0.21 N ATOM 1221 CA ILE A 74 10.022 -2.622 2.076 1.00 0.21 C ATOM 1222 C ILE A 74 11.348 -1.877 2.134 1.00 0.21 C ATOM 1223 O ILE A 74 12.015 -1.905 3.161 1.00 0.38 O ATOM 1224 CB ILE A 74 8.882 -1.775 2.668 1.00 0.26 C ATOM 1225 CG1 ILE A 74 9.115 -1.351 4.130 1.00 0.29 C ATOM 1226 CG2 ILE A 74 7.582 -2.575 2.585 1.00 0.35 C ATOM 1227 CD1 ILE A 74 9.824 0.002 4.269 1.00 0.31 C ATOM 0 H ILE A 74 10.570 -3.760 3.729 1.00 0.21 H new ATOM 0 HA ILE A 74 9.774 -2.825 1.034 1.00 0.21 H new ATOM 0 HB ILE A 74 8.834 -0.857 2.082 1.00 0.26 H new ATOM 0 HG12 ILE A 74 8.155 -1.304 4.644 1.00 0.29 H new ATOM 0 HG13 ILE A 74 9.707 -2.116 4.632 1.00 0.29 H new ATOM 0 HG21 ILE A 74 6.765 -1.986 3.002 1.00 0.35 H new ATOM 0 HG22 ILE A 74 7.365 -2.810 1.543 1.00 0.35 H new ATOM 0 HG23 ILE A 74 7.687 -3.500 3.151 1.00 0.35 H new ATOM 0 HD11 ILE A 74 9.955 0.237 5.325 1.00 0.31 H new ATOM 0 HD12 ILE A 74 10.799 -0.047 3.784 1.00 0.31 H new ATOM 0 HD13 ILE A 74 9.222 0.778 3.796 1.00 0.31 H new ATOM 1239 N TYR A 75 11.691 -1.160 1.062 1.00 0.23 N ATOM 1240 CA TYR A 75 12.831 -0.248 1.052 1.00 0.26 C ATOM 1241 C TYR A 75 12.362 1.198 0.889 1.00 0.39 C ATOM 1242 O TYR A 75 13.173 2.095 0.703 1.00 0.79 O ATOM 1243 CB TYR A 75 13.799 -0.633 -0.084 1.00 0.32 C ATOM 1244 CG TYR A 75 15.186 -0.981 0.406 1.00 0.72 C ATOM 1245 CD1 TYR A 75 15.889 -0.099 1.247 1.00 2.08 C ATOM 1246 CD2 TYR A 75 15.775 -2.194 0.017 1.00 2.04 C ATOM 1247 CE1 TYR A 75 17.162 -0.451 1.732 1.00 2.41 C ATOM 1248 CE2 TYR A 75 17.043 -2.554 0.497 1.00 2.44 C ATOM 1249 CZ TYR A 75 17.746 -1.680 1.354 1.00 1.93 C ATOM 1250 OH TYR A 75 19.008 -1.989 1.759 1.00 2.52 O ATOM 0 H TYR A 75 11.185 -1.197 0.177 1.00 0.23 H new ATOM 0 HA TYR A 75 13.354 -0.329 2.005 1.00 0.26 H new ATOM 0 HB2 TYR A 75 13.389 -1.484 -0.629 1.00 0.32 H new ATOM 0 HB3 TYR A 75 13.867 0.195 -0.790 1.00 0.32 H new ATOM 0 HD1 TYR A 75 15.451 0.849 1.521 1.00 2.08 H new ATOM 0 HD2 TYR A 75 15.249 -2.854 -0.656 1.00 2.04 H new ATOM 0 HE1 TYR A 75 17.692 0.218 2.393 1.00 2.41 H new ATOM 0 HE2 TYR A 75 17.481 -3.499 0.211 1.00 2.44 H new ATOM 0 HH TYR A 75 19.545 -2.252 0.983 1.00 2.52 H new ATOM 1260 N HIS A 76 11.051 1.442 0.932 1.00 0.23 N ATOM 1261 CA HIS A 76 10.480 2.722 0.542 1.00 0.21 C ATOM 1262 C HIS A 76 10.265 3.536 1.805 1.00 0.16 C ATOM 1263 O HIS A 76 9.653 3.018 2.732 1.00 0.19 O ATOM 1264 CB HIS A 76 9.136 2.523 -0.172 1.00 0.28 C ATOM 1265 CG HIS A 76 9.165 1.517 -1.291 1.00 0.68 C ATOM 1266 ND1 HIS A 76 9.405 1.780 -2.613 1.00 1.04 N flip ATOM 1267 CD2 HIS A 76 8.902 0.164 -1.156 1.00 1.33 C flip ATOM 1268 CE1 HIS A 76 9.332 0.569 -3.275 1.00 1.47 C flip ATOM 1269 NE2 HIS A 76 9.026 -0.387 -2.373 1.00 1.70 N flip ATOM 0 H HIS A 76 10.361 0.756 1.238 1.00 0.23 H new ATOM 0 HA HIS A 76 11.155 3.233 -0.144 1.00 0.21 H new ATOM 0 HB2 HIS A 76 8.393 2.210 0.561 1.00 0.28 H new ATOM 0 HB3 HIS A 76 8.806 3.482 -0.571 1.00 0.28 H new ATOM 0 HD2 HIS A 76 8.645 -0.351 -0.242 1.00 1.33 H new ATOM 0 HE1 HIS A 76 9.492 0.414 -4.332 1.00 1.47 H new ATOM 0 HE2 HIS A 76 8.907 -1.378 -2.584 1.00 1.70 H new ATOM 1278 N PRO A 77 10.678 4.806 1.837 1.00 0.17 N ATOM 1279 CA PRO A 77 10.647 5.622 3.041 1.00 0.16 C ATOM 1280 C PRO A 77 9.230 5.892 3.526 1.00 0.16 C ATOM 1281 O PRO A 77 9.018 6.272 4.672 1.00 0.17 O ATOM 1282 CB PRO A 77 11.336 6.922 2.640 1.00 0.19 C ATOM 1283 CG PRO A 77 11.069 7.030 1.140 1.00 0.22 C ATOM 1284 CD PRO A 77 11.161 5.573 0.701 1.00 0.21 C ATOM 0 HA PRO A 77 11.140 5.117 3.872 1.00 0.16 H new ATOM 0 HB2 PRO A 77 10.927 7.775 3.181 1.00 0.19 H new ATOM 0 HB3 PRO A 77 12.404 6.891 2.855 1.00 0.19 H new ATOM 0 HG2 PRO A 77 10.090 7.460 0.929 1.00 0.22 H new ATOM 0 HG3 PRO A 77 11.807 7.656 0.637 1.00 0.22 H new ATOM 0 HD2 PRO A 77 10.554 5.389 -0.186 1.00 0.21 H new ATOM 0 HD3 PRO A 77 12.186 5.301 0.448 1.00 0.21 H new ATOM 1292 N ASN A 78 8.251 5.760 2.637 1.00 0.19 N ATOM 1293 CA ASN A 78 6.869 6.083 2.944 1.00 0.18 C ATOM 1294 C ASN A 78 6.263 5.063 3.914 1.00 0.15 C ATOM 1295 O ASN A 78 5.206 5.318 4.490 1.00 0.24 O ATOM 1296 CB ASN A 78 6.056 6.139 1.650 1.00 0.28 C ATOM 1297 CG ASN A 78 6.841 6.723 0.481 1.00 0.97 C ATOM 1298 OD1 ASN A 78 7.113 7.915 0.415 1.00 1.16 O ATOM 1299 ND2 ASN A 78 7.220 5.861 -0.453 1.00 2.60 N ATOM 0 H ASN A 78 8.397 5.426 1.684 1.00 0.19 H new ATOM 0 HA ASN A 78 6.841 7.058 3.430 1.00 0.18 H new ATOM 0 HB2 ASN A 78 5.724 5.133 1.392 1.00 0.28 H new ATOM 0 HB3 ASN A 78 5.160 6.738 1.815 1.00 0.28 H new ATOM 0 HD21 ASN A 78 7.756 6.185 -1.258 1.00 2.60 H new ATOM 0 HD22 ASN A 78 6.976 4.875 -0.366 1.00 2.60 H new ATOM 1306 N ILE A 79 6.908 3.902 4.061 1.00 0.13 N ATOM 1307 CA ILE A 79 6.529 2.802 4.926 1.00 0.15 C ATOM 1308 C ILE A 79 7.738 2.567 5.852 1.00 0.16 C ATOM 1309 O ILE A 79 8.831 3.063 5.581 1.00 0.19 O ATOM 1310 CB ILE A 79 6.160 1.602 4.022 1.00 0.17 C ATOM 1311 CG1 ILE A 79 5.120 2.016 2.964 1.00 0.22 C ATOM 1312 CG2 ILE A 79 5.615 0.383 4.785 1.00 0.20 C ATOM 1313 CD1 ILE A 79 5.677 1.991 1.536 1.00 0.38 C ATOM 0 H ILE A 79 7.763 3.702 3.542 1.00 0.13 H new ATOM 0 HA ILE A 79 5.656 2.985 5.553 1.00 0.15 H new ATOM 0 HB ILE A 79 7.099 1.303 3.555 1.00 0.17 H new ATOM 0 HG12 ILE A 79 4.261 1.347 3.025 1.00 0.22 H new ATOM 0 HG13 ILE A 79 4.759 3.019 3.190 1.00 0.22 H new ATOM 0 HG21 ILE A 79 5.381 -0.413 4.079 1.00 0.20 H new ATOM 0 HG22 ILE A 79 6.366 0.031 5.493 1.00 0.20 H new ATOM 0 HG23 ILE A 79 4.712 0.666 5.325 1.00 0.20 H new ATOM 0 HD11 ILE A 79 4.898 2.292 0.836 1.00 0.38 H new ATOM 0 HD12 ILE A 79 6.518 2.681 1.461 1.00 0.38 H new ATOM 0 HD13 ILE A 79 6.012 0.983 1.294 1.00 0.38 H new ATOM 1325 N ASP A 80 7.563 1.851 6.960 1.00 0.20 N ATOM 1326 CA ASP A 80 8.627 1.511 7.895 1.00 0.25 C ATOM 1327 C ASP A 80 9.051 0.064 7.660 1.00 0.22 C ATOM 1328 O ASP A 80 8.315 -0.692 7.027 1.00 0.22 O ATOM 1329 CB ASP A 80 8.100 1.650 9.323 1.00 0.40 C ATOM 1330 CG ASP A 80 9.166 1.218 10.320 1.00 0.59 C ATOM 1331 OD1 ASP A 80 10.282 1.777 10.226 1.00 1.59 O ATOM 1332 OD2 ASP A 80 8.901 0.236 11.048 1.00 1.12 O ATOM 0 H ASP A 80 6.653 1.483 7.238 1.00 0.20 H new ATOM 0 HA ASP A 80 9.478 2.176 7.747 1.00 0.25 H new ATOM 0 HB2 ASP A 80 7.811 2.684 9.513 1.00 0.40 H new ATOM 0 HB3 ASP A 80 7.205 1.041 9.449 1.00 0.40 H new ATOM 1337 N GLU A 81 10.196 -0.363 8.200 1.00 0.24 N ATOM 1338 CA GLU A 81 10.633 -1.748 8.104 1.00 0.23 C ATOM 1339 C GLU A 81 9.574 -2.737 8.591 1.00 0.23 C ATOM 1340 O GLU A 81 9.405 -3.795 7.988 1.00 0.27 O ATOM 1341 CB GLU A 81 11.941 -1.977 8.872 1.00 0.30 C ATOM 1342 CG GLU A 81 13.161 -1.789 7.962 1.00 0.72 C ATOM 1343 CD GLU A 81 14.343 -2.610 8.481 1.00 2.08 C ATOM 1344 OE1 GLU A 81 14.960 -2.165 9.472 1.00 3.04 O ATOM 1345 OE2 GLU A 81 14.586 -3.689 7.895 1.00 3.05 O ATOM 0 H GLU A 81 10.839 0.242 8.712 1.00 0.24 H new ATOM 0 HA GLU A 81 10.801 -1.934 7.043 1.00 0.23 H new ATOM 0 HB2 GLU A 81 11.999 -1.283 9.710 1.00 0.30 H new ATOM 0 HB3 GLU A 81 11.948 -2.983 9.290 1.00 0.30 H new ATOM 0 HG2 GLU A 81 12.915 -2.095 6.945 1.00 0.72 H new ATOM 0 HG3 GLU A 81 13.433 -0.734 7.920 1.00 0.72 H new ATOM 1352 N LYS A 82 8.821 -2.416 9.648 1.00 0.23 N ATOM 1353 CA LYS A 82 7.744 -3.297 10.107 1.00 0.24 C ATOM 1354 C LYS A 82 6.529 -3.264 9.167 1.00 0.22 C ATOM 1355 O LYS A 82 5.439 -3.665 9.564 1.00 0.28 O ATOM 1356 CB LYS A 82 7.353 -2.932 11.556 1.00 0.28 C ATOM 1357 CG LYS A 82 8.040 -3.849 12.573 1.00 0.76 C ATOM 1358 CD LYS A 82 9.465 -3.390 12.891 1.00 1.54 C ATOM 1359 CE LYS A 82 10.335 -4.571 13.335 1.00 2.38 C ATOM 1360 NZ LYS A 82 9.743 -5.320 14.465 1.00 2.64 N ATOM 0 H LYS A 82 8.935 -1.563 10.196 1.00 0.23 H new ATOM 0 HA LYS A 82 8.113 -4.323 10.091 1.00 0.24 H new ATOM 0 HB2 LYS A 82 7.625 -1.896 11.757 1.00 0.28 H new ATOM 0 HB3 LYS A 82 6.272 -3.005 11.671 1.00 0.28 H new ATOM 0 HG2 LYS A 82 7.454 -3.874 13.492 1.00 0.76 H new ATOM 0 HG3 LYS A 82 8.066 -4.867 12.184 1.00 0.76 H new ATOM 0 HD2 LYS A 82 9.905 -2.920 12.011 1.00 1.54 H new ATOM 0 HD3 LYS A 82 9.441 -2.635 13.677 1.00 1.54 H new ATOM 0 HE2 LYS A 82 10.481 -5.247 12.492 1.00 2.38 H new ATOM 0 HE3 LYS A 82 11.320 -4.204 13.623 1.00 2.38 H new ATOM 0 HZ1 LYS A 82 10.440 -5.997 14.836 1.00 2.64 H new ATOM 0 HZ2 LYS A 82 9.471 -4.656 15.217 1.00 2.64 H new ATOM 0 HZ3 LYS A 82 8.901 -5.835 14.137 1.00 2.64 H new ATOM 1374 N GLY A 83 6.657 -2.762 7.938 1.00 0.20 N ATOM 1375 CA GLY A 83 5.551 -2.602 7.018 1.00 0.19 C ATOM 1376 C GLY A 83 4.571 -1.508 7.437 1.00 0.19 C ATOM 1377 O GLY A 83 3.613 -1.270 6.707 1.00 0.19 O ATOM 0 H GLY A 83 7.551 -2.453 7.556 1.00 0.20 H new ATOM 0 HA2 GLY A 83 5.942 -2.370 6.027 1.00 0.19 H new ATOM 0 HA3 GLY A 83 5.016 -3.548 6.936 1.00 0.19 H new ATOM 1381 N GLN A 84 4.760 -0.858 8.590 1.00 0.21 N ATOM 1382 CA GLN A 84 3.833 0.143 9.098 1.00 0.24 C ATOM 1383 C GLN A 84 3.794 1.338 8.155 1.00 0.22 C ATOM 1384 O GLN A 84 4.777 1.641 7.491 1.00 0.23 O ATOM 1385 CB GLN A 84 4.269 0.622 10.486 1.00 0.28 C ATOM 1386 CG GLN A 84 4.207 -0.492 11.539 1.00 0.44 C ATOM 1387 CD GLN A 84 4.735 -0.062 12.908 1.00 0.97 C ATOM 1388 OE1 GLN A 84 5.203 -0.890 13.679 1.00 2.45 O ATOM 1389 NE2 GLN A 84 4.648 1.215 13.263 1.00 1.61 N ATOM 0 H GLN A 84 5.566 -1.016 9.195 1.00 0.21 H new ATOM 0 HA GLN A 84 2.844 -0.310 9.166 1.00 0.24 H new ATOM 0 HB2 GLN A 84 5.287 1.008 10.430 1.00 0.28 H new ATOM 0 HB3 GLN A 84 3.631 1.449 10.798 1.00 0.28 H new ATOM 0 HG2 GLN A 84 3.175 -0.826 11.644 1.00 0.44 H new ATOM 0 HG3 GLN A 84 4.784 -1.347 11.187 1.00 0.44 H new ATOM 0 HE21 GLN A 84 4.257 1.899 12.615 1.00 1.61 H new ATOM 0 HE22 GLN A 84 4.972 1.512 14.183 1.00 1.61 H new ATOM 1398 N VAL A 85 2.679 2.059 8.128 1.00 0.24 N ATOM 1399 CA VAL A 85 2.506 3.178 7.216 1.00 0.22 C ATOM 1400 C VAL A 85 2.135 4.435 7.994 1.00 0.23 C ATOM 1401 O VAL A 85 1.525 4.342 9.059 1.00 0.26 O ATOM 1402 CB VAL A 85 1.428 2.814 6.196 1.00 0.24 C ATOM 1403 CG1 VAL A 85 1.864 1.629 5.331 1.00 0.22 C ATOM 1404 CG2 VAL A 85 0.103 2.490 6.884 1.00 0.33 C ATOM 0 H VAL A 85 1.877 1.885 8.733 1.00 0.24 H new ATOM 0 HA VAL A 85 3.437 3.384 6.688 1.00 0.22 H new ATOM 0 HB VAL A 85 1.285 3.683 5.554 1.00 0.24 H new ATOM 0 HG11 VAL A 85 1.077 1.393 4.615 1.00 0.22 H new ATOM 0 HG12 VAL A 85 2.777 1.886 4.795 1.00 0.22 H new ATOM 0 HG13 VAL A 85 2.048 0.763 5.967 1.00 0.22 H new ATOM 0 HG21 VAL A 85 -0.644 2.235 6.133 1.00 0.33 H new ATOM 0 HG22 VAL A 85 0.241 1.646 7.560 1.00 0.33 H new ATOM 0 HG23 VAL A 85 -0.234 3.358 7.451 1.00 0.33 H new ATOM 1414 N CYS A 86 2.478 5.612 7.463 1.00 0.22 N ATOM 1415 CA CYS A 86 1.973 6.869 7.985 1.00 0.23 C ATOM 1416 C CYS A 86 1.739 7.831 6.818 1.00 0.23 C ATOM 1417 O CYS A 86 2.574 8.693 6.560 1.00 0.34 O ATOM 1418 CB CYS A 86 2.955 7.438 9.014 1.00 0.29 C ATOM 1419 SG CYS A 86 2.137 8.725 9.993 1.00 0.39 S ATOM 0 H CYS A 86 3.108 5.712 6.667 1.00 0.22 H new ATOM 0 HA CYS A 86 1.023 6.717 8.497 1.00 0.23 H new ATOM 0 HB2 CYS A 86 3.313 6.643 9.668 1.00 0.29 H new ATOM 0 HB3 CYS A 86 3.827 7.852 8.508 1.00 0.29 H new ATOM 0 HG CYS A 86 2.973 9.203 10.866 1.00 0.39 H new ATOM 1425 N LEU A 87 0.627 7.683 6.093 1.00 0.20 N ATOM 1426 CA LEU A 87 0.295 8.557 4.973 1.00 0.19 C ATOM 1427 C LEU A 87 -0.894 9.427 5.374 1.00 0.19 C ATOM 1428 O LEU A 87 -1.730 8.987 6.163 1.00 0.18 O ATOM 1429 CB LEU A 87 -0.061 7.742 3.717 1.00 0.18 C ATOM 1430 CG LEU A 87 1.057 6.896 3.096 1.00 0.19 C ATOM 1431 CD1 LEU A 87 2.378 7.654 3.015 1.00 0.20 C ATOM 1432 CD2 LEU A 87 1.291 5.574 3.816 1.00 0.19 C ATOM 0 H LEU A 87 -0.065 6.954 6.268 1.00 0.20 H new ATOM 0 HA LEU A 87 1.161 9.175 4.736 1.00 0.19 H new ATOM 0 HB2 LEU A 87 -0.889 7.078 3.967 1.00 0.18 H new ATOM 0 HB3 LEU A 87 -0.425 8.433 2.957 1.00 0.18 H new ATOM 0 HG LEU A 87 0.702 6.675 2.089 1.00 0.19 H new ATOM 0 HD11 LEU A 87 3.138 7.013 2.568 1.00 0.20 H new ATOM 0 HD12 LEU A 87 2.249 8.546 2.402 1.00 0.20 H new ATOM 0 HD13 LEU A 87 2.692 7.946 4.017 1.00 0.20 H new ATOM 0 HD21 LEU A 87 2.095 5.028 3.323 1.00 0.19 H new ATOM 0 HD22 LEU A 87 1.567 5.768 4.853 1.00 0.19 H new ATOM 0 HD23 LEU A 87 0.379 4.978 3.789 1.00 0.19 H new ATOM 1444 N PRO A 88 -1.025 10.636 4.808 1.00 0.20 N ATOM 1445 CA PRO A 88 -2.078 11.573 5.176 1.00 0.21 C ATOM 1446 C PRO A 88 -3.481 11.008 4.947 1.00 0.27 C ATOM 1447 O PRO A 88 -4.405 11.350 5.674 1.00 0.45 O ATOM 1448 CB PRO A 88 -1.809 12.852 4.380 1.00 0.23 C ATOM 1449 CG PRO A 88 -0.919 12.391 3.227 1.00 0.23 C ATOM 1450 CD PRO A 88 -0.128 11.238 3.838 1.00 0.22 C ATOM 0 HA PRO A 88 -2.056 11.778 6.246 1.00 0.21 H new ATOM 0 HB2 PRO A 88 -2.735 13.297 4.016 1.00 0.23 H new ATOM 0 HB3 PRO A 88 -1.312 13.605 4.991 1.00 0.23 H new ATOM 0 HG2 PRO A 88 -1.507 12.066 2.369 1.00 0.23 H new ATOM 0 HG3 PRO A 88 -0.264 13.190 2.880 1.00 0.23 H new ATOM 0 HD2 PRO A 88 0.170 10.517 3.077 1.00 0.22 H new ATOM 0 HD3 PRO A 88 0.785 11.595 4.314 1.00 0.22 H new ATOM 1458 N VAL A 89 -3.643 10.103 3.981 1.00 0.18 N ATOM 1459 CA VAL A 89 -4.920 9.458 3.669 1.00 0.17 C ATOM 1460 C VAL A 89 -5.534 8.760 4.888 1.00 0.17 C ATOM 1461 O VAL A 89 -6.749 8.582 4.940 1.00 0.18 O ATOM 1462 CB VAL A 89 -4.761 8.483 2.484 1.00 0.16 C ATOM 1463 CG1 VAL A 89 -4.534 9.274 1.192 1.00 0.17 C ATOM 1464 CG2 VAL A 89 -3.587 7.516 2.682 1.00 0.17 C ATOM 0 H VAL A 89 -2.878 9.792 3.383 1.00 0.18 H new ATOM 0 HA VAL A 89 -5.618 10.243 3.377 1.00 0.17 H new ATOM 0 HB VAL A 89 -5.678 7.897 2.423 1.00 0.16 H new ATOM 0 HG11 VAL A 89 -4.422 8.582 0.357 1.00 0.17 H new ATOM 0 HG12 VAL A 89 -5.388 9.927 1.010 1.00 0.17 H new ATOM 0 HG13 VAL A 89 -3.631 9.876 1.288 1.00 0.17 H new ATOM 0 HG21 VAL A 89 -3.515 6.850 1.822 1.00 0.17 H new ATOM 0 HG22 VAL A 89 -2.661 8.083 2.780 1.00 0.17 H new ATOM 0 HG23 VAL A 89 -3.749 6.927 3.585 1.00 0.17 H new ATOM 1474 N ILE A 90 -4.699 8.336 5.842 1.00 0.17 N ATOM 1475 CA ILE A 90 -5.104 7.651 7.064 1.00 0.18 C ATOM 1476 C ILE A 90 -4.457 8.287 8.294 1.00 0.19 C ATOM 1477 O ILE A 90 -4.393 7.676 9.361 1.00 0.22 O ATOM 1478 CB ILE A 90 -4.757 6.162 6.940 1.00 0.17 C ATOM 1479 CG1 ILE A 90 -3.243 5.963 6.745 1.00 0.20 C ATOM 1480 CG2 ILE A 90 -5.558 5.584 5.766 1.00 0.16 C ATOM 1481 CD1 ILE A 90 -2.883 4.493 6.581 1.00 0.23 C ATOM 0 H ILE A 90 -3.689 8.467 5.778 1.00 0.17 H new ATOM 0 HA ILE A 90 -6.181 7.750 7.197 1.00 0.18 H new ATOM 0 HB ILE A 90 -5.023 5.636 7.857 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -2.913 6.518 5.867 1.00 0.20 H new ATOM 0 HG13 ILE A 90 -2.709 6.375 7.601 1.00 0.20 H new ATOM 0 HG21 ILE A 90 -5.329 4.524 5.656 1.00 0.16 H new ATOM 0 HG22 ILE A 90 -6.624 5.707 5.957 1.00 0.16 H new ATOM 0 HG23 ILE A 90 -5.291 6.110 4.849 1.00 0.16 H new ATOM 0 HD11 ILE A 90 -1.806 4.395 6.446 1.00 0.23 H new ATOM 0 HD12 ILE A 90 -3.189 3.942 7.470 1.00 0.23 H new ATOM 0 HD13 ILE A 90 -3.396 4.088 5.709 1.00 0.23 H new ATOM 1493 N SER A 91 -3.958 9.511 8.157 1.00 0.21 N ATOM 1494 CA SER A 91 -3.390 10.251 9.267 1.00 0.25 C ATOM 1495 C SER A 91 -4.513 10.542 10.257 1.00 0.26 C ATOM 1496 O SER A 91 -5.632 10.831 9.845 1.00 0.32 O ATOM 1497 CB SER A 91 -2.760 11.521 8.688 1.00 0.34 C ATOM 1498 OG SER A 91 -2.686 12.596 9.610 1.00 0.68 O ATOM 0 H SER A 91 -3.938 10.014 7.270 1.00 0.21 H new ATOM 0 HA SER A 91 -2.616 9.700 9.801 1.00 0.25 H new ATOM 0 HB2 SER A 91 -1.756 11.288 8.335 1.00 0.34 H new ATOM 0 HB3 SER A 91 -3.338 11.838 7.820 1.00 0.34 H new ATOM 0 HG SER A 91 -2.012 13.240 9.308 1.00 0.68 H new ATOM 1504 N ALA A 92 -4.226 10.485 11.560 1.00 0.33 N ATOM 1505 CA ALA A 92 -5.218 10.811 12.576 1.00 0.42 C ATOM 1506 C ALA A 92 -5.707 12.249 12.398 1.00 0.48 C ATOM 1507 O ALA A 92 -6.906 12.503 12.431 1.00 0.54 O ATOM 1508 CB ALA A 92 -4.631 10.581 13.970 1.00 0.52 C ATOM 0 H ALA A 92 -3.315 10.216 11.931 1.00 0.33 H new ATOM 0 HA ALA A 92 -6.081 10.155 12.463 1.00 0.42 H new ATOM 0 HB1 ALA A 92 -5.378 10.827 14.725 1.00 0.52 H new ATOM 0 HB2 ALA A 92 -4.340 9.536 14.074 1.00 0.52 H new ATOM 0 HB3 ALA A 92 -3.756 11.216 14.106 1.00 0.52 H new ATOM 1514 N GLU A 93 -4.787 13.193 12.184 1.00 0.52 N ATOM 1515 CA GLU A 93 -5.147 14.584 11.933 1.00 0.61 C ATOM 1516 C GLU A 93 -6.002 14.706 10.675 1.00 0.67 C ATOM 1517 O GLU A 93 -6.938 15.500 10.635 1.00 1.06 O ATOM 1518 CB GLU A 93 -3.892 15.451 11.793 1.00 0.66 C ATOM 1519 CG GLU A 93 -3.456 16.004 13.152 1.00 1.10 C ATOM 1520 CD GLU A 93 -2.288 16.974 12.983 1.00 1.35 C ATOM 1521 OE1 GLU A 93 -1.247 16.520 12.455 1.00 2.22 O ATOM 1522 OE2 GLU A 93 -2.457 18.153 13.364 1.00 2.15 O ATOM 0 H GLU A 93 -3.783 13.014 12.180 1.00 0.52 H new ATOM 0 HA GLU A 93 -5.727 14.937 12.786 1.00 0.61 H new ATOM 0 HB2 GLU A 93 -3.084 14.861 11.360 1.00 0.66 H new ATOM 0 HB3 GLU A 93 -4.089 16.275 11.107 1.00 0.66 H new ATOM 0 HG2 GLU A 93 -4.293 16.513 13.630 1.00 1.10 H new ATOM 0 HG3 GLU A 93 -3.164 15.184 13.809 1.00 1.10 H new ATOM 1529 N ASN A 94 -5.695 13.925 9.637 1.00 0.43 N ATOM 1530 CA ASN A 94 -6.446 13.992 8.390 1.00 0.45 C ATOM 1531 C ASN A 94 -7.421 12.821 8.305 1.00 0.41 C ATOM 1532 O ASN A 94 -7.743 12.352 7.214 1.00 0.44 O ATOM 1533 CB ASN A 94 -5.494 14.031 7.192 1.00 0.49 C ATOM 1534 CG ASN A 94 -4.707 15.329 7.138 1.00 0.85 C ATOM 1535 OD1 ASN A 94 -5.071 16.243 6.408 1.00 1.74 O ATOM 1536 ND2 ASN A 94 -3.636 15.434 7.915 1.00 0.90 N ATOM 0 H ASN A 94 -4.936 13.244 9.638 1.00 0.43 H new ATOM 0 HA ASN A 94 -7.029 14.913 8.370 1.00 0.45 H new ATOM 0 HB2 ASN A 94 -4.803 13.190 7.249 1.00 0.49 H new ATOM 0 HB3 ASN A 94 -6.064 13.913 6.271 1.00 0.49 H new ATOM 0 HD21 ASN A 94 -3.089 16.295 7.916 1.00 0.90 H new ATOM 0 HD22 ASN A 94 -3.360 14.654 8.511 1.00 0.90 H new ATOM 1543 N TRP A 95 -7.936 12.368 9.449 1.00 0.39 N ATOM 1544 CA TRP A 95 -8.945 11.329 9.490 1.00 0.37 C ATOM 1545 C TRP A 95 -10.187 11.854 8.776 1.00 0.33 C ATOM 1546 O TRP A 95 -10.939 12.665 9.313 1.00 0.46 O ATOM 1547 CB TRP A 95 -9.229 10.951 10.946 1.00 0.41 C ATOM 1548 CG TRP A 95 -10.550 10.300 11.229 1.00 0.38 C ATOM 1549 CD1 TRP A 95 -11.150 9.315 10.518 1.00 0.34 C ATOM 1550 CD2 TRP A 95 -11.491 10.669 12.277 1.00 0.43 C ATOM 1551 NE1 TRP A 95 -12.411 9.078 11.037 1.00 0.35 N ATOM 1552 CE2 TRP A 95 -12.685 9.916 12.101 1.00 0.40 C ATOM 1553 CE3 TRP A 95 -11.456 11.593 13.344 1.00 0.54 C ATOM 1554 CZ2 TRP A 95 -13.807 10.112 12.920 1.00 0.46 C ATOM 1555 CZ3 TRP A 95 -12.564 11.767 14.192 1.00 0.60 C ATOM 1556 CH2 TRP A 95 -13.742 11.033 13.977 1.00 0.56 C ATOM 0 H TRP A 95 -7.661 12.716 10.367 1.00 0.39 H new ATOM 0 HA TRP A 95 -8.608 10.424 8.984 1.00 0.37 H new ATOM 0 HB2 TRP A 95 -8.440 10.279 11.283 1.00 0.41 H new ATOM 0 HB3 TRP A 95 -9.159 11.854 11.552 1.00 0.41 H new ATOM 0 HD1 TRP A 95 -10.713 8.796 9.678 1.00 0.34 H new ATOM 0 HE1 TRP A 95 -13.056 8.374 10.679 1.00 0.35 H new ATOM 0 HE3 TRP A 95 -10.563 12.176 13.512 1.00 0.54 H new ATOM 0 HZ2 TRP A 95 -14.716 9.557 12.738 1.00 0.46 H new ATOM 0 HZ3 TRP A 95 -12.509 12.468 15.012 1.00 0.60 H new ATOM 0 HH2 TRP A 95 -14.595 11.177 14.623 1.00 0.56 H new ATOM 1567 N LYS A 96 -10.395 11.408 7.538 1.00 0.31 N ATOM 1568 CA LYS A 96 -11.535 11.811 6.735 1.00 0.36 C ATOM 1569 C LYS A 96 -12.416 10.583 6.577 1.00 0.32 C ATOM 1570 O LYS A 96 -12.026 9.661 5.868 1.00 0.33 O ATOM 1571 CB LYS A 96 -11.061 12.351 5.374 1.00 0.48 C ATOM 1572 CG LYS A 96 -11.029 13.884 5.336 1.00 0.63 C ATOM 1573 CD LYS A 96 -10.011 14.492 6.309 1.00 0.86 C ATOM 1574 CE LYS A 96 -10.169 16.012 6.399 1.00 1.39 C ATOM 1575 NZ LYS A 96 -9.712 16.698 5.173 1.00 2.01 N ATOM 0 H LYS A 96 -9.771 10.754 7.067 1.00 0.31 H new ATOM 0 HA LYS A 96 -12.097 12.615 7.211 1.00 0.36 H new ATOM 0 HB2 LYS A 96 -10.065 11.963 5.159 1.00 0.48 H new ATOM 0 HB3 LYS A 96 -11.723 11.984 4.589 1.00 0.48 H new ATOM 0 HG2 LYS A 96 -10.794 14.211 4.323 1.00 0.63 H new ATOM 0 HG3 LYS A 96 -12.022 14.268 5.572 1.00 0.63 H new ATOM 0 HD2 LYS A 96 -10.141 14.051 7.297 1.00 0.86 H new ATOM 0 HD3 LYS A 96 -9.000 14.248 5.981 1.00 0.86 H new ATOM 0 HE2 LYS A 96 -11.216 16.256 6.580 1.00 1.39 H new ATOM 0 HE3 LYS A 96 -9.603 16.384 7.253 1.00 1.39 H new ATOM 0 HZ1 LYS A 96 -9.839 17.724 5.282 1.00 2.01 H new ATOM 0 HZ2 LYS A 96 -8.706 16.488 5.012 1.00 2.01 H new ATOM 0 HZ3 LYS A 96 -10.269 16.365 4.361 1.00 2.01 H new ATOM 1589 N PRO A 97 -13.617 10.555 7.170 1.00 0.32 N ATOM 1590 CA PRO A 97 -14.511 9.413 7.056 1.00 0.32 C ATOM 1591 C PRO A 97 -15.047 9.234 5.632 1.00 0.37 C ATOM 1592 O PRO A 97 -15.626 8.201 5.317 1.00 0.54 O ATOM 1593 CB PRO A 97 -15.623 9.670 8.073 1.00 0.36 C ATOM 1594 CG PRO A 97 -15.655 11.191 8.198 1.00 0.39 C ATOM 1595 CD PRO A 97 -14.189 11.582 8.023 1.00 0.34 C ATOM 0 HA PRO A 97 -13.993 8.477 7.264 1.00 0.32 H new ATOM 0 HB2 PRO A 97 -16.579 9.276 7.729 1.00 0.36 H new ATOM 0 HB3 PRO A 97 -15.408 9.194 9.030 1.00 0.36 H new ATOM 0 HG2 PRO A 97 -16.287 11.645 7.435 1.00 0.39 H new ATOM 0 HG3 PRO A 97 -16.044 11.508 9.165 1.00 0.39 H new ATOM 0 HD2 PRO A 97 -14.097 12.568 7.567 1.00 0.34 H new ATOM 0 HD3 PRO A 97 -13.676 11.626 8.984 1.00 0.34 H new ATOM 1603 N ALA A 98 -14.861 10.215 4.748 1.00 0.40 N ATOM 1604 CA ALA A 98 -15.169 10.055 3.335 1.00 0.47 C ATOM 1605 C ALA A 98 -14.197 9.090 2.644 1.00 0.47 C ATOM 1606 O ALA A 98 -14.581 8.417 1.683 1.00 0.68 O ATOM 1607 CB ALA A 98 -15.117 11.433 2.676 1.00 0.66 C ATOM 0 H ALA A 98 -14.495 11.135 4.993 1.00 0.40 H new ATOM 0 HA ALA A 98 -16.164 9.622 3.234 1.00 0.47 H new ATOM 0 HB1 ALA A 98 -15.345 11.337 1.614 1.00 0.66 H new ATOM 0 HB2 ALA A 98 -15.849 12.089 3.147 1.00 0.66 H new ATOM 0 HB3 ALA A 98 -14.120 11.856 2.796 1.00 0.66 H new ATOM 1613 N THR A 99 -12.939 9.057 3.103 1.00 0.40 N ATOM 1614 CA THR A 99 -11.864 8.302 2.470 1.00 0.42 C ATOM 1615 C THR A 99 -12.238 6.826 2.422 1.00 0.42 C ATOM 1616 O THR A 99 -13.049 6.370 3.224 1.00 0.51 O ATOM 1617 CB THR A 99 -10.545 8.530 3.234 1.00 0.42 C ATOM 1618 OG1 THR A 99 -9.465 8.436 2.339 1.00 0.52 O ATOM 1619 CG2 THR A 99 -10.283 7.514 4.350 1.00 0.40 C ATOM 0 H THR A 99 -12.641 9.563 3.937 1.00 0.40 H new ATOM 0 HA THR A 99 -11.719 8.647 1.446 1.00 0.42 H new ATOM 0 HB THR A 99 -10.639 9.517 3.688 1.00 0.42 H new ATOM 0 HG1 THR A 99 -8.625 8.582 2.823 1.00 0.52 H new ATOM 0 HG21 THR A 99 -9.336 7.745 4.837 1.00 0.40 H new ATOM 0 HG22 THR A 99 -11.089 7.562 5.082 1.00 0.40 H new ATOM 0 HG23 THR A 99 -10.237 6.511 3.926 1.00 0.40 H new ATOM 1627 N LYS A 100 -11.632 6.051 1.525 1.00 0.39 N ATOM 1628 CA LYS A 100 -11.848 4.613 1.479 1.00 0.40 C ATOM 1629 C LYS A 100 -10.577 3.941 1.007 1.00 0.35 C ATOM 1630 O LYS A 100 -9.541 4.579 0.834 1.00 0.36 O ATOM 1631 CB LYS A 100 -13.013 4.243 0.547 1.00 0.53 C ATOM 1632 CG LYS A 100 -13.971 3.246 1.225 1.00 2.20 C ATOM 1633 CD LYS A 100 -14.995 3.887 2.166 1.00 3.29 C ATOM 1634 CE LYS A 100 -16.197 4.534 1.464 1.00 2.96 C ATOM 1635 NZ LYS A 100 -15.840 5.523 0.425 1.00 2.96 N ATOM 0 H LYS A 100 -10.985 6.400 0.818 1.00 0.39 H new ATOM 0 HA LYS A 100 -12.108 4.270 2.480 1.00 0.40 H new ATOM 0 HB2 LYS A 100 -13.559 5.144 0.267 1.00 0.53 H new ATOM 0 HB3 LYS A 100 -12.623 3.808 -0.373 1.00 0.53 H new ATOM 0 HG2 LYS A 100 -14.504 2.691 0.453 1.00 2.20 H new ATOM 0 HG3 LYS A 100 -13.382 2.522 1.788 1.00 2.20 H new ATOM 0 HD2 LYS A 100 -15.361 3.126 2.855 1.00 3.29 H new ATOM 0 HD3 LYS A 100 -14.492 4.645 2.766 1.00 3.29 H new ATOM 0 HE2 LYS A 100 -16.801 3.749 1.009 1.00 2.96 H new ATOM 0 HE3 LYS A 100 -16.820 5.022 2.213 1.00 2.96 H new ATOM 0 HZ1 LYS A 100 -16.705 5.972 0.062 1.00 2.96 H new ATOM 0 HZ2 LYS A 100 -15.219 6.249 0.836 1.00 2.96 H new ATOM 0 HZ3 LYS A 100 -15.345 5.044 -0.354 1.00 2.96 H new ATOM 1649 N THR A 101 -10.663 2.635 0.799 1.00 0.33 N ATOM 1650 CA THR A 101 -9.575 1.849 0.280 1.00 0.30 C ATOM 1651 C THR A 101 -9.119 2.321 -1.089 1.00 0.22 C ATOM 1652 O THR A 101 -7.972 2.083 -1.427 1.00 0.26 O ATOM 1653 CB THR A 101 -10.007 0.403 0.164 1.00 0.33 C ATOM 1654 OG1 THR A 101 -11.356 0.375 -0.252 1.00 0.49 O ATOM 1655 CG2 THR A 101 -9.898 -0.312 1.503 1.00 0.33 C ATOM 0 H THR A 101 -11.505 2.093 0.991 1.00 0.33 H new ATOM 0 HA THR A 101 -8.742 1.959 0.974 1.00 0.30 H new ATOM 0 HB THR A 101 -9.359 -0.101 -0.553 1.00 0.33 H new ATOM 0 HG1 THR A 101 -11.621 -0.549 -0.441 1.00 0.49 H new ATOM 0 HG21 THR A 101 -10.215 -1.349 1.389 1.00 0.33 H new ATOM 0 HG22 THR A 101 -8.864 -0.284 1.847 1.00 0.33 H new ATOM 0 HG23 THR A 101 -10.537 0.184 2.234 1.00 0.33 H new ATOM 1663 N ASP A 102 -9.965 2.975 -1.880 1.00 0.18 N ATOM 1664 CA ASP A 102 -9.529 3.591 -3.123 1.00 0.17 C ATOM 1665 C ASP A 102 -8.415 4.593 -2.821 1.00 0.15 C ATOM 1666 O ASP A 102 -7.343 4.534 -3.419 1.00 0.22 O ATOM 1667 CB ASP A 102 -10.727 4.232 -3.843 1.00 0.30 C ATOM 1668 CG ASP A 102 -11.275 5.450 -3.094 1.00 1.19 C ATOM 1669 OD1 ASP A 102 -11.375 6.536 -3.704 1.00 1.68 O ATOM 1670 OD2 ASP A 102 -11.507 5.298 -1.872 1.00 2.83 O ATOM 0 H ASP A 102 -10.958 3.090 -1.679 1.00 0.18 H new ATOM 0 HA ASP A 102 -9.123 2.839 -3.800 1.00 0.17 H new ATOM 0 HB2 ASP A 102 -10.426 4.531 -4.847 1.00 0.30 H new ATOM 0 HB3 ASP A 102 -11.519 3.491 -3.955 1.00 0.30 H new ATOM 1675 N GLN A 103 -8.638 5.472 -1.845 1.00 0.19 N ATOM 1676 CA GLN A 103 -7.695 6.507 -1.465 1.00 0.18 C ATOM 1677 C GLN A 103 -6.490 5.904 -0.770 1.00 0.18 C ATOM 1678 O GLN A 103 -5.378 6.403 -0.951 1.00 0.21 O ATOM 1679 CB GLN A 103 -8.384 7.578 -0.615 1.00 0.22 C ATOM 1680 CG GLN A 103 -9.608 8.082 -1.387 1.00 0.24 C ATOM 1681 CD GLN A 103 -10.208 9.382 -0.869 1.00 0.32 C ATOM 1682 OE1 GLN A 103 -9.529 10.253 -0.339 1.00 1.02 O ATOM 1683 NE2 GLN A 103 -11.516 9.530 -1.037 1.00 1.40 N ATOM 0 H GLN A 103 -9.494 5.480 -1.291 1.00 0.19 H new ATOM 0 HA GLN A 103 -7.329 7.000 -2.366 1.00 0.18 H new ATOM 0 HB2 GLN A 103 -8.685 7.165 0.348 1.00 0.22 H new ATOM 0 HB3 GLN A 103 -7.699 8.400 -0.409 1.00 0.22 H new ATOM 0 HG2 GLN A 103 -9.328 8.220 -2.431 1.00 0.24 H new ATOM 0 HG3 GLN A 103 -10.377 7.310 -1.362 1.00 0.24 H new ATOM 0 HE21 GLN A 103 -12.060 8.790 -1.481 1.00 1.40 H new ATOM 0 HE22 GLN A 103 -11.977 10.383 -0.722 1.00 1.40 H new ATOM 1692 N VAL A 104 -6.686 4.834 0.004 1.00 0.17 N ATOM 1693 CA VAL A 104 -5.581 4.230 0.721 1.00 0.17 C ATOM 1694 C VAL A 104 -4.642 3.567 -0.280 1.00 0.16 C ATOM 1695 O VAL A 104 -3.455 3.875 -0.320 1.00 0.17 O ATOM 1696 CB VAL A 104 -6.120 3.257 1.778 1.00 0.19 C ATOM 1697 CG1 VAL A 104 -4.973 2.501 2.426 1.00 0.20 C ATOM 1698 CG2 VAL A 104 -6.842 4.038 2.877 1.00 0.22 C ATOM 0 H VAL A 104 -7.588 4.380 0.144 1.00 0.17 H new ATOM 0 HA VAL A 104 -5.005 4.985 1.256 1.00 0.17 H new ATOM 0 HB VAL A 104 -6.802 2.562 1.288 1.00 0.19 H new ATOM 0 HG11 VAL A 104 -5.367 1.813 3.174 1.00 0.20 H new ATOM 0 HG12 VAL A 104 -4.432 1.938 1.665 1.00 0.20 H new ATOM 0 HG13 VAL A 104 -4.295 3.208 2.904 1.00 0.20 H new ATOM 0 HG21 VAL A 104 -7.224 3.344 3.626 1.00 0.22 H new ATOM 0 HG22 VAL A 104 -6.146 4.733 3.347 1.00 0.22 H new ATOM 0 HG23 VAL A 104 -7.672 4.595 2.442 1.00 0.22 H new ATOM 1708 N ILE A 105 -5.178 2.667 -1.098 1.00 0.16 N ATOM 1709 CA ILE A 105 -4.431 1.879 -2.061 1.00 0.14 C ATOM 1710 C ILE A 105 -3.711 2.810 -3.015 1.00 0.15 C ATOM 1711 O ILE A 105 -2.499 2.685 -3.188 1.00 0.16 O ATOM 1712 CB ILE A 105 -5.367 0.895 -2.790 1.00 0.13 C ATOM 1713 CG1 ILE A 105 -5.686 -0.291 -1.864 1.00 0.14 C ATOM 1714 CG2 ILE A 105 -4.809 0.374 -4.123 1.00 0.14 C ATOM 1715 CD1 ILE A 105 -4.438 -1.018 -1.341 1.00 0.16 C ATOM 0 H ILE A 105 -6.177 2.462 -1.106 1.00 0.16 H new ATOM 0 HA ILE A 105 -3.680 1.276 -1.551 1.00 0.14 H new ATOM 0 HB ILE A 105 -6.270 1.454 -3.035 1.00 0.13 H new ATOM 0 HG12 ILE A 105 -6.269 0.068 -1.016 1.00 0.14 H new ATOM 0 HG13 ILE A 105 -6.312 -1.003 -2.402 1.00 0.14 H new ATOM 0 HG21 ILE A 105 -5.526 -0.312 -4.574 1.00 0.14 H new ATOM 0 HG22 ILE A 105 -4.636 1.213 -4.797 1.00 0.14 H new ATOM 0 HG23 ILE A 105 -3.869 -0.148 -3.945 1.00 0.14 H new ATOM 0 HD11 ILE A 105 -4.741 -1.842 -0.695 1.00 0.16 H new ATOM 0 HD12 ILE A 105 -3.865 -1.408 -2.182 1.00 0.16 H new ATOM 0 HD13 ILE A 105 -3.821 -0.320 -0.774 1.00 0.16 H new ATOM 1727 N GLN A 106 -4.440 3.746 -3.625 1.00 0.15 N ATOM 1728 CA GLN A 106 -3.810 4.680 -4.542 1.00 0.16 C ATOM 1729 C GLN A 106 -2.712 5.473 -3.833 1.00 0.16 C ATOM 1730 O GLN A 106 -1.746 5.836 -4.482 1.00 0.20 O ATOM 1731 CB GLN A 106 -4.842 5.551 -5.278 1.00 0.22 C ATOM 1732 CG GLN A 106 -5.439 6.681 -4.435 1.00 0.55 C ATOM 1733 CD GLN A 106 -4.568 7.932 -4.400 1.00 1.16 C ATOM 1734 OE1 GLN A 106 -4.261 8.520 -5.428 1.00 1.84 O ATOM 1735 NE2 GLN A 106 -4.161 8.368 -3.215 1.00 2.02 N ATOM 0 H GLN A 106 -5.445 3.872 -3.501 1.00 0.15 H new ATOM 0 HA GLN A 106 -3.315 4.114 -5.331 1.00 0.16 H new ATOM 0 HB2 GLN A 106 -4.370 5.984 -6.160 1.00 0.22 H new ATOM 0 HB3 GLN A 106 -5.651 4.912 -5.631 1.00 0.22 H new ATOM 0 HG2 GLN A 106 -6.421 6.941 -4.831 1.00 0.55 H new ATOM 0 HG3 GLN A 106 -5.591 6.324 -3.416 1.00 0.55 H new ATOM 0 HE21 GLN A 106 -4.426 7.865 -2.368 1.00 2.02 H new ATOM 0 HE22 GLN A 106 -3.583 9.206 -3.151 1.00 2.02 H new ATOM 1744 N SER A 107 -2.810 5.708 -2.517 1.00 0.15 N ATOM 1745 CA SER A 107 -1.728 6.290 -1.739 1.00 0.17 C ATOM 1746 C SER A 107 -0.518 5.369 -1.754 1.00 0.15 C ATOM 1747 O SER A 107 0.559 5.815 -2.129 1.00 0.16 O ATOM 1748 CB SER A 107 -2.151 6.566 -0.293 1.00 0.19 C ATOM 1749 OG SER A 107 -1.459 7.684 0.229 1.00 0.42 O ATOM 0 H SER A 107 -3.645 5.497 -1.970 1.00 0.15 H new ATOM 0 HA SER A 107 -1.469 7.243 -2.200 1.00 0.17 H new ATOM 0 HB2 SER A 107 -3.225 6.746 -0.252 1.00 0.19 H new ATOM 0 HB3 SER A 107 -1.951 5.689 0.323 1.00 0.19 H new ATOM 0 HG SER A 107 -1.210 7.509 1.160 1.00 0.42 H new ATOM 1755 N LEU A 108 -0.645 4.098 -1.349 1.00 0.13 N ATOM 1756 CA LEU A 108 0.534 3.246 -1.306 1.00 0.14 C ATOM 1757 C LEU A 108 1.197 3.205 -2.662 1.00 0.15 C ATOM 1758 O LEU A 108 2.406 3.331 -2.734 1.00 0.18 O ATOM 1759 CB LEU A 108 0.253 1.795 -0.933 1.00 0.13 C ATOM 1760 CG LEU A 108 -0.108 1.500 0.523 1.00 0.15 C ATOM 1761 CD1 LEU A 108 0.503 2.483 1.517 1.00 0.16 C ATOM 1762 CD2 LEU A 108 -1.612 1.373 0.706 1.00 0.22 C ATOM 0 H LEU A 108 -1.518 3.657 -1.059 1.00 0.13 H new ATOM 0 HA LEU A 108 1.162 3.691 -0.534 1.00 0.14 H new ATOM 0 HB2 LEU A 108 -0.563 1.438 -1.561 1.00 0.13 H new ATOM 0 HB3 LEU A 108 1.133 1.205 -1.188 1.00 0.13 H new ATOM 0 HG LEU A 108 0.343 0.535 0.754 1.00 0.15 H new ATOM 0 HD11 LEU A 108 0.203 2.211 2.529 1.00 0.16 H new ATOM 0 HD12 LEU A 108 1.590 2.451 1.439 1.00 0.16 H new ATOM 0 HD13 LEU A 108 0.153 3.491 1.294 1.00 0.16 H new ATOM 0 HD21 LEU A 108 -1.835 1.163 1.752 1.00 0.22 H new ATOM 0 HD22 LEU A 108 -2.094 2.305 0.412 1.00 0.22 H new ATOM 0 HD23 LEU A 108 -1.987 0.559 0.085 1.00 0.22 H new ATOM 1774 N ILE A 109 0.443 2.998 -3.735 1.00 0.16 N ATOM 1775 CA ILE A 109 1.029 2.953 -5.062 1.00 0.18 C ATOM 1776 C ILE A 109 1.721 4.285 -5.325 1.00 0.21 C ATOM 1777 O ILE A 109 2.893 4.303 -5.684 1.00 0.33 O ATOM 1778 CB ILE A 109 -0.063 2.629 -6.087 1.00 0.18 C ATOM 1779 CG1 ILE A 109 -0.550 1.193 -5.832 1.00 0.15 C ATOM 1780 CG2 ILE A 109 0.446 2.736 -7.532 1.00 0.24 C ATOM 1781 CD1 ILE A 109 -2.027 1.067 -6.190 1.00 0.16 C ATOM 0 H ILE A 109 -0.567 2.860 -3.710 1.00 0.16 H new ATOM 0 HA ILE A 109 1.780 2.167 -5.145 1.00 0.18 H new ATOM 0 HB ILE A 109 -0.869 3.353 -5.969 1.00 0.18 H new ATOM 0 HG12 ILE A 109 0.037 0.491 -6.425 1.00 0.15 H new ATOM 0 HG13 ILE A 109 -0.398 0.930 -4.785 1.00 0.15 H new ATOM 0 HG21 ILE A 109 -0.364 2.497 -8.222 1.00 0.24 H new ATOM 0 HG22 ILE A 109 0.796 3.751 -7.720 1.00 0.24 H new ATOM 0 HG23 ILE A 109 1.268 2.036 -7.681 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -2.360 0.046 -6.005 1.00 0.16 H new ATOM 0 HD12 ILE A 109 -2.610 1.755 -5.578 1.00 0.16 H new ATOM 0 HD13 ILE A 109 -2.168 1.310 -7.243 1.00 0.16 H new ATOM 1793 N ALA A 110 1.014 5.389 -5.111 1.00 0.16 N ATOM 1794 CA ALA A 110 1.491 6.737 -5.370 1.00 0.17 C ATOM 1795 C ALA A 110 2.830 6.996 -4.688 1.00 0.16 C ATOM 1796 O ALA A 110 3.682 7.635 -5.276 1.00 0.17 O ATOM 1797 CB ALA A 110 0.429 7.755 -4.937 1.00 0.18 C ATOM 0 H ALA A 110 0.064 5.367 -4.741 1.00 0.16 H new ATOM 0 HA ALA A 110 1.659 6.848 -6.441 1.00 0.17 H new ATOM 0 HB1 ALA A 110 0.791 8.764 -5.133 1.00 0.18 H new ATOM 0 HB2 ALA A 110 -0.490 7.584 -5.498 1.00 0.18 H new ATOM 0 HB3 ALA A 110 0.230 7.642 -3.871 1.00 0.18 H new ATOM 1803 N LEU A 111 3.029 6.497 -3.471 1.00 0.15 N ATOM 1804 CA LEU A 111 4.209 6.746 -2.659 1.00 0.16 C ATOM 1805 C LEU A 111 5.329 5.747 -2.967 1.00 0.20 C ATOM 1806 O LEU A 111 6.491 6.115 -3.112 1.00 0.35 O ATOM 1807 CB LEU A 111 3.790 6.663 -1.181 1.00 0.16 C ATOM 1808 CG LEU A 111 3.273 7.966 -0.538 1.00 0.17 C ATOM 1809 CD1 LEU A 111 3.834 9.248 -1.139 1.00 0.31 C ATOM 1810 CD2 LEU A 111 1.749 8.065 -0.573 1.00 0.24 C ATOM 0 H LEU A 111 2.350 5.890 -3.012 1.00 0.15 H new ATOM 0 HA LEU A 111 4.607 7.735 -2.886 1.00 0.16 H new ATOM 0 HB2 LEU A 111 3.012 5.905 -1.089 1.00 0.16 H new ATOM 0 HB3 LEU A 111 4.645 6.313 -0.603 1.00 0.16 H new ATOM 0 HG LEU A 111 3.634 7.890 0.488 1.00 0.17 H new ATOM 0 HD11 LEU A 111 3.411 10.108 -0.620 1.00 0.31 H new ATOM 0 HD12 LEU A 111 4.919 9.256 -1.031 1.00 0.31 H new ATOM 0 HD13 LEU A 111 3.574 9.298 -2.196 1.00 0.31 H new ATOM 0 HD21 LEU A 111 1.434 9.000 -0.109 1.00 0.24 H new ATOM 0 HD22 LEU A 111 1.406 8.040 -1.607 1.00 0.24 H new ATOM 0 HD23 LEU A 111 1.317 7.226 -0.028 1.00 0.24 H new ATOM 1822 N VAL A 112 5.007 4.458 -3.025 1.00 0.32 N ATOM 1823 CA VAL A 112 5.910 3.368 -3.388 1.00 0.33 C ATOM 1824 C VAL A 112 6.553 3.673 -4.743 1.00 0.39 C ATOM 1825 O VAL A 112 7.715 3.331 -4.961 1.00 0.47 O ATOM 1826 CB VAL A 112 5.116 2.042 -3.399 1.00 0.25 C ATOM 1827 CG1 VAL A 112 5.875 0.834 -3.950 1.00 0.26 C ATOM 1828 CG2 VAL A 112 4.714 1.634 -1.975 1.00 0.22 C ATOM 0 H VAL A 112 4.066 4.129 -2.810 1.00 0.32 H new ATOM 0 HA VAL A 112 6.715 3.269 -2.660 1.00 0.33 H new ATOM 0 HB VAL A 112 4.270 2.266 -4.049 1.00 0.25 H new ATOM 0 HG11 VAL A 112 5.233 -0.046 -3.915 1.00 0.26 H new ATOM 0 HG12 VAL A 112 6.169 1.028 -4.982 1.00 0.26 H new ATOM 0 HG13 VAL A 112 6.765 0.657 -3.346 1.00 0.26 H new ATOM 0 HG21 VAL A 112 4.156 0.698 -2.008 1.00 0.22 H new ATOM 0 HG22 VAL A 112 5.610 1.501 -1.368 1.00 0.22 H new ATOM 0 HG23 VAL A 112 4.090 2.413 -1.536 1.00 0.22 H new ATOM 1838 N ASN A 113 5.784 4.290 -5.645 1.00 0.37 N ATOM 1839 CA ASN A 113 6.221 4.686 -6.972 1.00 0.39 C ATOM 1840 C ASN A 113 6.898 6.049 -6.930 1.00 0.32 C ATOM 1841 O ASN A 113 7.988 6.195 -7.476 1.00 0.36 O ATOM 1842 CB ASN A 113 5.041 4.698 -7.952 1.00 0.43 C ATOM 1843 CG ASN A 113 4.649 3.284 -8.364 1.00 1.31 C ATOM 1844 OD1 ASN A 113 4.888 2.872 -9.490 1.00 1.89 O ATOM 1845 ND2 ASN A 113 4.090 2.491 -7.462 1.00 2.35 N ATOM 0 H ASN A 113 4.811 4.532 -5.458 1.00 0.37 H new ATOM 0 HA ASN A 113 6.948 3.954 -7.323 1.00 0.39 H new ATOM 0 HB2 ASN A 113 4.187 5.194 -7.491 1.00 0.43 H new ATOM 0 HB3 ASN A 113 5.306 5.277 -8.837 1.00 0.43 H new ATOM 0 HD21 ASN A 113 3.856 1.528 -7.705 1.00 2.35 H new ATOM 0 HD22 ASN A 113 3.894 2.843 -6.525 1.00 2.35 H new ATOM 1852 N ASP A 114 6.250 7.036 -6.310 1.00 0.26 N ATOM 1853 CA ASP A 114 6.718 8.419 -6.256 1.00 0.30 C ATOM 1854 C ASP A 114 6.863 8.842 -4.788 1.00 0.27 C ATOM 1855 O ASP A 114 5.938 9.387 -4.186 1.00 0.26 O ATOM 1856 CB ASP A 114 5.767 9.331 -7.046 1.00 0.39 C ATOM 1857 CG ASP A 114 6.360 10.723 -7.256 1.00 0.73 C ATOM 1858 OD1 ASP A 114 7.607 10.823 -7.222 1.00 0.83 O ATOM 1859 OD2 ASP A 114 5.564 11.655 -7.503 1.00 1.32 O ATOM 0 H ASP A 114 5.366 6.892 -5.821 1.00 0.26 H new ATOM 0 HA ASP A 114 7.697 8.509 -6.726 1.00 0.30 H new ATOM 0 HB2 ASP A 114 5.550 8.879 -8.014 1.00 0.39 H new ATOM 0 HB3 ASP A 114 4.819 9.416 -6.514 1.00 0.39 H new ATOM 1864 N PRO A 115 8.000 8.520 -4.156 1.00 0.31 N ATOM 1865 CA PRO A 115 8.178 8.674 -2.719 1.00 0.27 C ATOM 1866 C PRO A 115 8.333 10.142 -2.332 1.00 0.30 C ATOM 1867 O PRO A 115 8.794 10.957 -3.126 1.00 0.54 O ATOM 1868 CB PRO A 115 9.441 7.872 -2.387 1.00 0.41 C ATOM 1869 CG PRO A 115 10.233 7.922 -3.690 1.00 0.56 C ATOM 1870 CD PRO A 115 9.140 7.849 -4.750 1.00 0.45 C ATOM 0 HA PRO A 115 7.312 8.315 -2.162 1.00 0.27 H new ATOM 0 HB2 PRO A 115 9.996 8.317 -1.561 1.00 0.41 H new ATOM 0 HB3 PRO A 115 9.204 6.848 -2.098 1.00 0.41 H new ATOM 0 HG2 PRO A 115 10.817 8.838 -3.774 1.00 0.56 H new ATOM 0 HG3 PRO A 115 10.932 7.090 -3.771 1.00 0.56 H new ATOM 0 HD2 PRO A 115 9.451 8.339 -5.673 1.00 0.45 H new ATOM 0 HD3 PRO A 115 8.903 6.816 -5.003 1.00 0.45 H new ATOM 1878 N GLN A 116 8.009 10.472 -1.078 1.00 0.33 N ATOM 1879 CA GLN A 116 8.021 11.854 -0.606 1.00 0.41 C ATOM 1880 C GLN A 116 9.194 12.109 0.354 1.00 0.32 C ATOM 1881 O GLN A 116 9.004 12.106 1.565 1.00 0.52 O ATOM 1882 CB GLN A 116 6.636 12.197 -0.012 1.00 0.61 C ATOM 1883 CG GLN A 116 6.253 11.422 1.264 1.00 2.42 C ATOM 1884 CD GLN A 116 4.755 11.423 1.543 1.00 2.61 C ATOM 1885 OE1 GLN A 116 4.007 12.268 1.073 1.00 2.55 O ATOM 1886 NE2 GLN A 116 4.282 10.464 2.329 1.00 3.30 N ATOM 0 H GLN A 116 7.734 9.792 -0.369 1.00 0.33 H new ATOM 0 HA GLN A 116 8.193 12.534 -1.441 1.00 0.41 H new ATOM 0 HB2 GLN A 116 6.609 13.264 0.210 1.00 0.61 H new ATOM 0 HB3 GLN A 116 5.877 12.010 -0.772 1.00 0.61 H new ATOM 0 HG2 GLN A 116 6.598 10.392 1.172 1.00 2.42 H new ATOM 0 HG3 GLN A 116 6.775 11.858 2.116 1.00 2.42 H new ATOM 0 HE21 GLN A 116 4.914 9.764 2.716 1.00 3.30 H new ATOM 0 HE22 GLN A 116 3.286 10.427 2.546 1.00 3.30 H new ATOM 1895 N PRO A 117 10.418 12.391 -0.128 1.00 0.25 N ATOM 1896 CA PRO A 117 11.577 12.615 0.736 1.00 0.26 C ATOM 1897 C PRO A 117 11.548 13.955 1.483 1.00 0.40 C ATOM 1898 O PRO A 117 12.557 14.349 2.058 1.00 0.71 O ATOM 1899 CB PRO A 117 12.797 12.494 -0.185 1.00 0.34 C ATOM 1900 CG PRO A 117 12.246 12.970 -1.527 1.00 0.44 C ATOM 1901 CD PRO A 117 10.822 12.414 -1.522 1.00 0.36 C ATOM 0 HA PRO A 117 11.595 11.881 1.542 1.00 0.26 H new ATOM 0 HB2 PRO A 117 13.626 13.114 0.156 1.00 0.34 H new ATOM 0 HB3 PRO A 117 13.166 11.470 -0.238 1.00 0.34 H new ATOM 0 HG2 PRO A 117 12.256 14.057 -1.606 1.00 0.44 H new ATOM 0 HG3 PRO A 117 12.828 12.584 -2.364 1.00 0.44 H new ATOM 0 HD2 PRO A 117 10.154 13.040 -2.114 1.00 0.36 H new ATOM 0 HD3 PRO A 117 10.790 11.415 -1.956 1.00 0.36 H new ATOM 1909 N GLU A 118 10.413 14.656 1.514 1.00 0.33 N ATOM 1910 CA GLU A 118 10.214 15.843 2.311 1.00 0.40 C ATOM 1911 C GLU A 118 10.013 15.433 3.775 1.00 0.32 C ATOM 1912 O GLU A 118 10.737 15.905 4.647 1.00 0.49 O ATOM 1913 CB GLU A 118 9.029 16.600 1.695 1.00 0.52 C ATOM 1914 CG GLU A 118 8.345 17.503 2.712 1.00 2.00 C ATOM 1915 CD GLU A 118 7.359 18.487 2.079 1.00 2.31 C ATOM 1916 OE1 GLU A 118 6.888 18.196 0.956 1.00 2.42 O ATOM 1917 OE2 GLU A 118 7.094 19.523 2.728 1.00 3.38 O ATOM 0 H GLU A 118 9.592 14.397 0.967 1.00 0.33 H new ATOM 0 HA GLU A 118 11.074 16.513 2.310 1.00 0.40 H new ATOM 0 HB2 GLU A 118 9.378 17.199 0.854 1.00 0.52 H new ATOM 0 HB3 GLU A 118 8.307 15.885 1.300 1.00 0.52 H new ATOM 0 HG2 GLU A 118 7.816 16.886 3.438 1.00 2.00 H new ATOM 0 HG3 GLU A 118 9.104 18.061 3.260 1.00 2.00 H new ATOM 1924 N HIS A 119 9.042 14.558 4.064 1.00 0.21 N ATOM 1925 CA HIS A 119 8.798 14.113 5.436 1.00 0.21 C ATOM 1926 C HIS A 119 8.131 12.732 5.487 1.00 0.22 C ATOM 1927 O HIS A 119 7.001 12.596 5.951 1.00 0.29 O ATOM 1928 CB HIS A 119 7.989 15.180 6.199 1.00 0.30 C ATOM 1929 CG HIS A 119 6.636 15.570 5.639 1.00 0.98 C ATOM 1930 ND1 HIS A 119 5.850 16.592 6.124 1.00 2.07 N ATOM 1931 CD2 HIS A 119 5.954 14.993 4.598 1.00 2.34 C ATOM 1932 CE1 HIS A 119 4.722 16.622 5.394 1.00 2.38 C ATOM 1933 NE2 HIS A 119 4.735 15.661 4.459 1.00 2.57 N ATOM 0 H HIS A 119 8.418 14.148 3.369 1.00 0.21 H new ATOM 0 HA HIS A 119 9.761 13.996 5.933 1.00 0.21 H new ATOM 0 HB2 HIS A 119 7.840 14.823 7.218 1.00 0.30 H new ATOM 0 HB3 HIS A 119 8.598 16.081 6.263 1.00 0.30 H new ATOM 0 HD2 HIS A 119 6.299 14.168 3.993 1.00 2.34 H new ATOM 0 HE1 HIS A 119 3.915 17.325 5.541 1.00 2.38 H new ATOM 0 HE2 HIS A 119 4.001 15.458 3.781 1.00 2.57 H new ATOM 1941 N PRO A 120 8.798 11.683 4.998 1.00 0.19 N ATOM 1942 CA PRO A 120 8.241 10.343 4.985 1.00 0.20 C ATOM 1943 C PRO A 120 8.514 9.635 6.319 1.00 0.21 C ATOM 1944 O PRO A 120 9.136 10.203 7.214 1.00 0.28 O ATOM 1945 CB PRO A 120 8.962 9.678 3.821 1.00 0.21 C ATOM 1946 CG PRO A 120 10.363 10.275 3.919 1.00 0.20 C ATOM 1947 CD PRO A 120 10.135 11.694 4.435 1.00 0.21 C ATOM 0 HA PRO A 120 7.158 10.317 4.866 1.00 0.20 H new ATOM 0 HB2 PRO A 120 8.975 8.592 3.918 1.00 0.21 H new ATOM 0 HB3 PRO A 120 8.489 9.907 2.866 1.00 0.21 H new ATOM 0 HG2 PRO A 120 10.993 9.701 4.599 1.00 0.20 H new ATOM 0 HG3 PRO A 120 10.862 10.280 2.950 1.00 0.20 H new ATOM 0 HD2 PRO A 120 10.877 11.964 5.187 1.00 0.21 H new ATOM 0 HD3 PRO A 120 10.217 12.424 3.630 1.00 0.21 H new ATOM 1955 N LEU A 121 8.073 8.377 6.449 1.00 0.18 N ATOM 1956 CA LEU A 121 8.200 7.598 7.682 1.00 0.18 C ATOM 1957 C LEU A 121 9.660 7.459 8.085 1.00 0.20 C ATOM 1958 O LEU A 121 10.036 7.731 9.223 1.00 0.29 O ATOM 1959 CB LEU A 121 7.570 6.203 7.510 1.00 0.16 C ATOM 1960 CG LEU A 121 6.371 6.029 8.445 1.00 0.20 C ATOM 1961 CD1 LEU A 121 5.585 4.778 8.066 1.00 0.52 C ATOM 1962 CD2 LEU A 121 6.812 5.906 9.906 1.00 0.49 C ATOM 0 H LEU A 121 7.614 7.869 5.693 1.00 0.18 H new ATOM 0 HA LEU A 121 7.669 8.130 8.471 1.00 0.18 H new ATOM 0 HB2 LEU A 121 7.253 6.067 6.476 1.00 0.16 H new ATOM 0 HB3 LEU A 121 8.314 5.435 7.719 1.00 0.16 H new ATOM 0 HG LEU A 121 5.745 6.915 8.338 1.00 0.20 H new ATOM 0 HD11 LEU A 121 4.735 4.665 8.738 1.00 0.52 H new ATOM 0 HD12 LEU A 121 5.227 4.870 7.041 1.00 0.52 H new ATOM 0 HD13 LEU A 121 6.231 3.904 8.148 1.00 0.52 H new ATOM 0 HD21 LEU A 121 5.935 5.784 10.542 1.00 0.49 H new ATOM 0 HD22 LEU A 121 7.465 5.040 10.017 1.00 0.49 H new ATOM 0 HD23 LEU A 121 7.351 6.807 10.200 1.00 0.49 H new ATOM 1974 N ARG A 122 10.488 7.017 7.142 1.00 0.20 N ATOM 1975 CA ARG A 122 11.923 6.959 7.318 1.00 0.22 C ATOM 1976 C ARG A 122 12.544 7.929 6.337 1.00 0.23 C ATOM 1977 O ARG A 122 12.820 7.559 5.197 1.00 0.24 O ATOM 1978 CB ARG A 122 12.443 5.537 7.092 1.00 0.25 C ATOM 1979 CG ARG A 122 12.162 4.625 8.295 1.00 0.31 C ATOM 1980 CD ARG A 122 13.325 3.654 8.557 1.00 0.49 C ATOM 1981 NE ARG A 122 14.579 4.347 8.927 1.00 1.04 N ATOM 1982 CZ ARG A 122 14.837 4.918 10.112 1.00 1.13 C ATOM 1983 NH1 ARG A 122 16.002 5.529 10.336 1.00 1.67 N ATOM 1984 NH2 ARG A 122 13.922 4.882 11.080 1.00 1.89 N ATOM 0 H ARG A 122 10.172 6.688 6.230 1.00 0.20 H new ATOM 0 HA ARG A 122 12.192 7.234 8.338 1.00 0.22 H new ATOM 0 HB2 ARG A 122 11.975 5.117 6.201 1.00 0.25 H new ATOM 0 HB3 ARG A 122 13.516 5.569 6.904 1.00 0.25 H new ATOM 0 HG2 ARG A 122 11.991 5.235 9.182 1.00 0.31 H new ATOM 0 HG3 ARG A 122 11.248 4.058 8.116 1.00 0.31 H new ATOM 0 HD2 ARG A 122 13.046 2.967 9.356 1.00 0.49 H new ATOM 0 HD3 ARG A 122 13.498 3.052 7.665 1.00 0.49 H new ATOM 0 HE ARG A 122 15.311 4.394 8.218 1.00 1.04 H new ATOM 0 HH11 ARG A 122 16.708 5.565 9.601 1.00 1.67 H new ATOM 0 HH12 ARG A 122 16.186 5.960 11.242 1.00 1.67 H new ATOM 0 HH21 ARG A 122 13.027 4.420 10.919 1.00 1.89 H new ATOM 0 HH22 ARG A 122 14.117 5.316 11.982 1.00 1.89 H new ATOM 1998 N ALA A 123 12.813 9.149 6.804 1.00 0.25 N ATOM 1999 CA ALA A 123 13.576 10.126 6.042 1.00 0.25 C ATOM 2000 C ALA A 123 14.840 9.483 5.482 1.00 0.26 C ATOM 2001 O ALA A 123 15.159 9.716 4.332 1.00 0.25 O ATOM 2002 CB ALA A 123 13.898 11.341 6.916 1.00 0.28 C ATOM 0 H ALA A 123 12.507 9.482 7.718 1.00 0.25 H new ATOM 0 HA ALA A 123 12.979 10.473 5.199 1.00 0.25 H new ATOM 0 HB1 ALA A 123 14.469 12.066 6.336 1.00 0.28 H new ATOM 0 HB2 ALA A 123 12.970 11.800 7.257 1.00 0.28 H new ATOM 0 HB3 ALA A 123 14.484 11.024 7.778 1.00 0.28 H new ATOM 2008 N ASP A 124 15.506 8.625 6.258 1.00 0.31 N ATOM 2009 CA ASP A 124 16.694 7.857 5.874 1.00 0.37 C ATOM 2010 C ASP A 124 16.560 7.183 4.509 1.00 0.36 C ATOM 2011 O ASP A 124 17.362 7.416 3.612 1.00 0.36 O ATOM 2012 CB ASP A 124 16.932 6.769 6.939 1.00 0.57 C ATOM 2013 CG ASP A 124 18.244 6.895 7.696 1.00 0.98 C ATOM 2014 OD1 ASP A 124 19.206 7.450 7.129 1.00 2.23 O ATOM 2015 OD2 ASP A 124 18.237 6.393 8.843 1.00 1.92 O ATOM 0 H ASP A 124 15.218 8.437 7.218 1.00 0.31 H new ATOM 0 HA ASP A 124 17.528 8.556 5.807 1.00 0.37 H new ATOM 0 HB2 ASP A 124 16.111 6.796 7.656 1.00 0.57 H new ATOM 0 HB3 ASP A 124 16.900 5.793 6.455 1.00 0.57 H new ATOM 2020 N LEU A 125 15.550 6.330 4.326 1.00 0.37 N ATOM 2021 CA LEU A 125 15.322 5.639 3.062 1.00 0.38 C ATOM 2022 C LEU A 125 15.132 6.658 1.932 1.00 0.36 C ATOM 2023 O LEU A 125 15.451 6.389 0.776 1.00 0.44 O ATOM 2024 CB LEU A 125 14.098 4.723 3.219 1.00 0.38 C ATOM 2025 CG LEU A 125 14.419 3.329 3.768 1.00 0.69 C ATOM 2026 CD1 LEU A 125 15.227 3.351 5.064 1.00 2.05 C ATOM 2027 CD2 LEU A 125 13.116 2.582 4.063 1.00 2.44 C ATOM 0 H LEU A 125 14.870 6.101 5.051 1.00 0.37 H new ATOM 0 HA LEU A 125 16.185 5.027 2.800 1.00 0.38 H new ATOM 0 HB2 LEU A 125 13.381 5.206 3.883 1.00 0.38 H new ATOM 0 HB3 LEU A 125 13.613 4.616 2.249 1.00 0.38 H new ATOM 0 HG LEU A 125 15.017 2.838 3.000 1.00 0.69 H new ATOM 0 HD11 LEU A 125 15.416 2.329 5.392 1.00 2.05 H new ATOM 0 HD12 LEU A 125 16.176 3.858 4.892 1.00 2.05 H new ATOM 0 HD13 LEU A 125 14.666 3.881 5.834 1.00 2.05 H new ATOM 0 HD21 LEU A 125 13.345 1.591 4.453 1.00 2.44 H new ATOM 0 HD22 LEU A 125 12.537 3.138 4.801 1.00 2.44 H new ATOM 0 HD23 LEU A 125 12.536 2.485 3.145 1.00 2.44 H new ATOM 2039 N ALA A 126 14.596 7.831 2.267 1.00 0.29 N ATOM 2040 CA ALA A 126 14.342 8.930 1.356 1.00 0.26 C ATOM 2041 C ALA A 126 15.617 9.720 1.072 1.00 0.25 C ATOM 2042 O ALA A 126 15.736 10.343 0.022 1.00 0.25 O ATOM 2043 CB ALA A 126 13.266 9.835 1.956 1.00 0.22 C ATOM 0 H ALA A 126 14.317 8.044 3.225 1.00 0.29 H new ATOM 0 HA ALA A 126 13.993 8.529 0.404 1.00 0.26 H new ATOM 0 HB1 ALA A 126 13.068 10.665 1.277 1.00 0.22 H new ATOM 0 HB2 ALA A 126 12.351 9.262 2.105 1.00 0.22 H new ATOM 0 HB3 ALA A 126 13.611 10.224 2.914 1.00 0.22 H new ATOM 2049 N GLU A 127 16.561 9.714 2.004 1.00 0.26 N ATOM 2050 CA GLU A 127 17.851 10.357 1.900 1.00 0.24 C ATOM 2051 C GLU A 127 18.692 9.541 0.943 1.00 0.25 C ATOM 2052 O GLU A 127 19.065 10.039 -0.108 1.00 0.30 O ATOM 2053 CB GLU A 127 18.531 10.502 3.265 1.00 0.27 C ATOM 2054 CG GLU A 127 17.725 11.474 4.132 1.00 0.32 C ATOM 2055 CD GLU A 127 18.552 12.701 4.516 1.00 0.64 C ATOM 2056 OE1 GLU A 127 18.955 13.429 3.578 1.00 1.87 O ATOM 2057 OE2 GLU A 127 18.807 12.889 5.724 1.00 1.56 O ATOM 0 H GLU A 127 16.435 9.235 2.895 1.00 0.26 H new ATOM 0 HA GLU A 127 17.729 11.372 1.523 1.00 0.24 H new ATOM 0 HB2 GLU A 127 18.599 9.531 3.755 1.00 0.27 H new ATOM 0 HB3 GLU A 127 19.550 10.868 3.139 1.00 0.27 H new ATOM 0 HG2 GLU A 127 16.832 11.790 3.592 1.00 0.32 H new ATOM 0 HG3 GLU A 127 17.388 10.964 5.035 1.00 0.32 H new ATOM 2064 N GLU A 128 18.931 8.269 1.259 1.00 0.26 N ATOM 2065 CA GLU A 128 19.645 7.339 0.389 1.00 0.26 C ATOM 2066 C GLU A 128 19.028 7.373 -1.013 1.00 0.25 C ATOM 2067 O GLU A 128 19.740 7.318 -2.007 1.00 0.28 O ATOM 2068 CB GLU A 128 19.581 5.940 1.025 1.00 0.32 C ATOM 2069 CG GLU A 128 20.309 4.827 0.252 1.00 0.60 C ATOM 2070 CD GLU A 128 21.841 4.906 0.291 1.00 1.55 C ATOM 2071 OE1 GLU A 128 22.483 3.965 0.811 1.00 2.50 O ATOM 2072 OE2 GLU A 128 22.412 5.819 -0.344 1.00 2.84 O ATOM 0 H GLU A 128 18.629 7.851 2.139 1.00 0.26 H new ATOM 0 HA GLU A 128 20.693 7.620 0.283 1.00 0.26 H new ATOM 0 HB2 GLU A 128 20.002 5.997 2.029 1.00 0.32 H new ATOM 0 HB3 GLU A 128 18.534 5.657 1.134 1.00 0.32 H new ATOM 0 HG2 GLU A 128 19.999 3.863 0.655 1.00 0.60 H new ATOM 0 HG3 GLU A 128 19.985 4.856 -0.788 1.00 0.60 H new ATOM 2079 N TYR A 129 17.705 7.526 -1.113 1.00 0.23 N ATOM 2080 CA TYR A 129 17.046 7.647 -2.412 1.00 0.24 C ATOM 2081 C TYR A 129 17.403 8.967 -3.095 1.00 0.24 C ATOM 2082 O TYR A 129 17.782 9.002 -4.260 1.00 0.27 O ATOM 2083 CB TYR A 129 15.530 7.596 -2.202 1.00 0.25 C ATOM 2084 CG TYR A 129 14.693 7.768 -3.456 1.00 0.70 C ATOM 2085 CD1 TYR A 129 13.992 8.962 -3.700 1.00 2.14 C ATOM 2086 CD2 TYR A 129 14.606 6.714 -4.379 1.00 2.25 C ATOM 2087 CE1 TYR A 129 13.203 9.089 -4.858 1.00 2.50 C ATOM 2088 CE2 TYR A 129 13.803 6.816 -5.526 1.00 2.59 C ATOM 2089 CZ TYR A 129 13.091 8.012 -5.767 1.00 1.92 C ATOM 2090 OH TYR A 129 12.320 8.148 -6.880 1.00 2.51 O ATOM 0 H TYR A 129 17.073 7.569 -0.313 1.00 0.23 H new ATOM 0 HA TYR A 129 17.381 6.827 -3.047 1.00 0.24 H new ATOM 0 HB2 TYR A 129 15.276 6.640 -1.744 1.00 0.25 H new ATOM 0 HB3 TYR A 129 15.252 8.374 -1.491 1.00 0.25 H new ATOM 0 HD1 TYR A 129 14.059 9.781 -2.999 1.00 2.14 H new ATOM 0 HD2 TYR A 129 15.167 5.808 -4.204 1.00 2.25 H new ATOM 0 HE1 TYR A 129 12.680 10.014 -5.053 1.00 2.50 H new ATOM 0 HE2 TYR A 129 13.730 5.989 -6.217 1.00 2.59 H new ATOM 0 HH TYR A 129 12.349 7.319 -7.402 1.00 2.51 H new ATOM 2100 N SER A 130 17.201 10.078 -2.397 1.00 0.25 N ATOM 2101 CA SER A 130 17.266 11.416 -2.959 1.00 0.30 C ATOM 2102 C SER A 130 18.681 11.673 -3.472 1.00 0.40 C ATOM 2103 O SER A 130 18.866 12.134 -4.601 1.00 0.73 O ATOM 2104 CB SER A 130 16.817 12.418 -1.887 1.00 0.30 C ATOM 2105 OG SER A 130 16.846 13.735 -2.391 1.00 0.47 O ATOM 0 H SER A 130 16.982 10.070 -1.401 1.00 0.25 H new ATOM 0 HA SER A 130 16.596 11.529 -3.811 1.00 0.30 H new ATOM 0 HB2 SER A 130 15.809 12.173 -1.553 1.00 0.30 H new ATOM 0 HB3 SER A 130 17.468 12.342 -1.016 1.00 0.30 H new ATOM 0 HG SER A 130 16.555 14.359 -1.693 1.00 0.47 H new ATOM 2111 N LYS A 131 19.660 11.314 -2.639 1.00 0.31 N ATOM 2112 CA LYS A 131 21.079 11.306 -2.944 1.00 0.31 C ATOM 2113 C LYS A 131 21.358 10.330 -4.084 1.00 0.32 C ATOM 2114 O LYS A 131 22.019 10.707 -5.048 1.00 0.42 O ATOM 2115 CB LYS A 131 21.897 10.924 -1.693 1.00 0.35 C ATOM 2116 CG LYS A 131 22.094 12.072 -0.679 1.00 0.54 C ATOM 2117 CD LYS A 131 21.235 11.901 0.579 1.00 0.96 C ATOM 2118 CE LYS A 131 21.670 12.800 1.744 1.00 1.52 C ATOM 2119 NZ LYS A 131 20.817 13.996 1.885 1.00 1.83 N ATOM 0 H LYS A 131 19.467 11.006 -1.686 1.00 0.31 H new ATOM 0 HA LYS A 131 21.379 12.307 -3.255 1.00 0.31 H new ATOM 0 HB2 LYS A 131 21.401 10.094 -1.190 1.00 0.35 H new ATOM 0 HB3 LYS A 131 22.876 10.565 -2.011 1.00 0.35 H new ATOM 0 HG2 LYS A 131 23.145 12.123 -0.393 1.00 0.54 H new ATOM 0 HG3 LYS A 131 21.847 13.020 -1.157 1.00 0.54 H new ATOM 0 HD2 LYS A 131 20.196 12.117 0.332 1.00 0.96 H new ATOM 0 HD3 LYS A 131 21.276 10.860 0.899 1.00 0.96 H new ATOM 0 HE2 LYS A 131 21.642 12.227 2.671 1.00 1.52 H new ATOM 0 HE3 LYS A 131 22.704 13.111 1.592 1.00 1.52 H new ATOM 0 HZ1 LYS A 131 21.330 14.727 2.418 1.00 1.83 H new ATOM 0 HZ2 LYS A 131 20.573 14.362 0.942 1.00 1.83 H new ATOM 0 HZ3 LYS A 131 19.946 13.743 2.394 1.00 1.83 H new ATOM 2133 N ASP A 132 20.907 9.077 -3.976 1.00 0.27 N ATOM 2134 CA ASP A 132 21.303 8.041 -4.923 1.00 0.32 C ATOM 2135 C ASP A 132 20.180 7.031 -5.198 1.00 0.30 C ATOM 2136 O ASP A 132 20.128 5.910 -4.680 1.00 0.31 O ATOM 2137 CB ASP A 132 22.592 7.359 -4.456 1.00 0.36 C ATOM 2138 CG ASP A 132 23.201 6.545 -5.595 1.00 0.47 C ATOM 2139 OD1 ASP A 132 22.420 6.082 -6.454 1.00 1.52 O ATOM 2140 OD2 ASP A 132 24.437 6.367 -5.595 1.00 1.84 O ATOM 0 H ASP A 132 20.271 8.760 -3.245 1.00 0.27 H new ATOM 0 HA ASP A 132 21.502 8.526 -5.879 1.00 0.32 H new ATOM 0 HB2 ASP A 132 23.305 8.109 -4.114 1.00 0.36 H new ATOM 0 HB3 ASP A 132 22.381 6.709 -3.607 1.00 0.36 H new ATOM 2145 N ARG A 133 19.308 7.393 -6.140 1.00 0.31 N ATOM 2146 CA ARG A 133 18.252 6.493 -6.587 1.00 0.31 C ATOM 2147 C ARG A 133 18.813 5.243 -7.248 1.00 0.31 C ATOM 2148 O ARG A 133 18.071 4.282 -7.382 1.00 0.34 O ATOM 2149 CB ARG A 133 17.252 7.169 -7.537 1.00 0.31 C ATOM 2150 CG ARG A 133 16.664 8.416 -6.878 1.00 0.46 C ATOM 2151 CD ARG A 133 15.635 9.184 -7.716 1.00 1.47 C ATOM 2152 NE ARG A 133 16.246 10.271 -8.498 1.00 1.49 N ATOM 2153 CZ ARG A 133 16.837 11.361 -7.980 1.00 2.20 C ATOM 2154 NH1 ARG A 133 17.327 12.299 -8.792 1.00 3.33 N ATOM 2155 NH2 ARG A 133 16.952 11.507 -6.658 1.00 3.33 N ATOM 0 H ARG A 133 19.314 8.301 -6.605 1.00 0.31 H new ATOM 0 HA ARG A 133 17.716 6.207 -5.682 1.00 0.31 H new ATOM 0 HB2 ARG A 133 17.749 7.440 -8.468 1.00 0.31 H new ATOM 0 HB3 ARG A 133 16.454 6.472 -7.793 1.00 0.31 H new ATOM 0 HG2 ARG A 133 16.195 8.122 -5.939 1.00 0.46 H new ATOM 0 HG3 ARG A 133 17.481 9.093 -6.628 1.00 0.46 H new ATOM 0 HD2 ARG A 133 15.132 8.492 -8.392 1.00 1.47 H new ATOM 0 HD3 ARG A 133 14.871 9.599 -7.058 1.00 1.47 H new ATOM 0 HE ARG A 133 16.219 10.190 -9.514 1.00 1.49 H new ATOM 0 HH11 ARG A 133 17.253 12.188 -9.803 1.00 3.33 H new ATOM 0 HH12 ARG A 133 17.776 13.127 -8.402 1.00 3.33 H new ATOM 0 HH21 ARG A 133 16.590 10.788 -6.032 1.00 3.33 H new ATOM 0 HH22 ARG A 133 17.402 12.338 -6.274 1.00 3.33 H new ATOM 2169 N LYS A 134 20.073 5.205 -7.687 1.00 0.31 N ATOM 2170 CA LYS A 134 20.631 3.977 -8.243 1.00 0.32 C ATOM 2171 C LYS A 134 20.771 2.944 -7.140 1.00 0.33 C ATOM 2172 O LYS A 134 20.325 1.816 -7.326 1.00 0.34 O ATOM 2173 CB LYS A 134 21.955 4.240 -8.968 1.00 0.34 C ATOM 2174 CG LYS A 134 21.667 4.965 -10.293 1.00 0.42 C ATOM 2175 CD LYS A 134 22.637 6.128 -10.515 1.00 1.79 C ATOM 2176 CE LYS A 134 22.210 6.976 -11.719 1.00 2.30 C ATOM 2177 NZ LYS A 134 22.265 6.223 -12.991 1.00 2.85 N ATOM 0 H LYS A 134 20.715 5.998 -7.668 1.00 0.31 H new ATOM 0 HA LYS A 134 19.950 3.582 -8.997 1.00 0.32 H new ATOM 0 HB2 LYS A 134 22.612 4.845 -8.343 1.00 0.34 H new ATOM 0 HB3 LYS A 134 22.473 3.300 -9.158 1.00 0.34 H new ATOM 0 HG2 LYS A 134 21.747 4.260 -11.120 1.00 0.42 H new ATOM 0 HG3 LYS A 134 20.643 5.339 -10.290 1.00 0.42 H new ATOM 0 HD2 LYS A 134 22.674 6.751 -9.621 1.00 1.79 H new ATOM 0 HD3 LYS A 134 23.643 5.741 -10.676 1.00 1.79 H new ATOM 0 HE2 LYS A 134 21.195 7.341 -11.560 1.00 2.30 H new ATOM 0 HE3 LYS A 134 22.856 7.851 -11.790 1.00 2.30 H new ATOM 0 HZ1 LYS A 134 22.000 6.850 -13.777 1.00 2.85 H new ATOM 0 HZ2 LYS A 134 23.230 5.867 -13.142 1.00 2.85 H new ATOM 0 HZ3 LYS A 134 21.603 5.422 -12.949 1.00 2.85 H new ATOM 2191 N LYS A 135 21.337 3.296 -5.983 1.00 0.35 N ATOM 2192 CA LYS A 135 21.383 2.335 -4.881 1.00 0.40 C ATOM 2193 C LYS A 135 19.992 1.938 -4.439 1.00 0.41 C ATOM 2194 O LYS A 135 19.795 0.784 -4.079 1.00 0.52 O ATOM 2195 CB LYS A 135 22.187 2.858 -3.688 1.00 0.52 C ATOM 2196 CG LYS A 135 23.676 2.612 -3.959 1.00 0.59 C ATOM 2197 CD LYS A 135 24.527 3.869 -3.771 1.00 1.26 C ATOM 2198 CE LYS A 135 25.266 3.918 -2.426 1.00 1.40 C ATOM 2199 NZ LYS A 135 24.361 4.110 -1.266 1.00 2.69 N ATOM 0 H LYS A 135 21.756 4.206 -5.789 1.00 0.35 H new ATOM 0 HA LYS A 135 21.894 1.451 -5.263 1.00 0.40 H new ATOM 0 HB2 LYS A 135 21.999 3.922 -3.542 1.00 0.52 H new ATOM 0 HB3 LYS A 135 21.880 2.352 -2.773 1.00 0.52 H new ATOM 0 HG2 LYS A 135 24.038 1.830 -3.291 1.00 0.59 H new ATOM 0 HG3 LYS A 135 23.800 2.244 -4.977 1.00 0.59 H new ATOM 0 HD2 LYS A 135 25.257 3.927 -4.579 1.00 1.26 H new ATOM 0 HD3 LYS A 135 23.886 4.747 -3.856 1.00 1.26 H new ATOM 0 HE2 LYS A 135 25.825 2.992 -2.292 1.00 1.40 H new ATOM 0 HE3 LYS A 135 25.994 4.729 -2.448 1.00 1.40 H new ATOM 0 HZ1 LYS A 135 24.926 4.219 -0.400 1.00 2.69 H new ATOM 0 HZ2 LYS A 135 23.784 4.963 -1.413 1.00 2.69 H new ATOM 0 HZ3 LYS A 135 23.738 3.283 -1.171 1.00 2.69 H new ATOM 2213 N PHE A 136 19.029 2.854 -4.439 1.00 0.38 N ATOM 2214 CA PHE A 136 17.680 2.514 -4.020 1.00 0.41 C ATOM 2215 C PHE A 136 17.067 1.523 -4.997 1.00 0.38 C ATOM 2216 O PHE A 136 16.445 0.549 -4.595 1.00 0.43 O ATOM 2217 CB PHE A 136 16.827 3.773 -3.959 1.00 0.42 C ATOM 2218 CG PHE A 136 15.422 3.521 -3.453 1.00 0.83 C ATOM 2219 CD1 PHE A 136 15.095 3.859 -2.129 1.00 2.63 C ATOM 2220 CD2 PHE A 136 14.422 3.040 -4.323 1.00 1.60 C ATOM 2221 CE1 PHE A 136 13.773 3.732 -1.685 1.00 3.15 C ATOM 2222 CE2 PHE A 136 13.105 2.879 -3.864 1.00 1.77 C ATOM 2223 CZ PHE A 136 12.780 3.230 -2.544 1.00 2.07 C ATOM 0 H PHE A 136 19.158 3.826 -4.721 1.00 0.38 H new ATOM 0 HA PHE A 136 17.719 2.059 -3.030 1.00 0.41 H new ATOM 0 HB2 PHE A 136 17.314 4.502 -3.311 1.00 0.42 H new ATOM 0 HB3 PHE A 136 16.774 4.216 -4.954 1.00 0.42 H new ATOM 0 HD1 PHE A 136 15.861 4.216 -1.456 1.00 2.63 H new ATOM 0 HD2 PHE A 136 14.670 2.795 -5.345 1.00 1.60 H new ATOM 0 HE1 PHE A 136 13.515 4.021 -0.677 1.00 3.15 H new ATOM 0 HE2 PHE A 136 12.345 2.487 -4.524 1.00 1.77 H new ATOM 0 HZ PHE A 136 11.767 3.114 -2.188 1.00 2.07 H new ATOM 2233 N CYS A 137 17.206 1.798 -6.290 1.00 0.30 N ATOM 2234 CA CYS A 137 16.624 1.005 -7.352 1.00 0.30 C ATOM 2235 C CYS A 137 17.224 -0.393 -7.330 1.00 0.27 C ATOM 2236 O CYS A 137 16.499 -1.372 -7.445 1.00 0.30 O ATOM 2237 CB CYS A 137 16.849 1.656 -8.720 1.00 0.31 C ATOM 2238 SG CYS A 137 15.671 3.019 -8.936 1.00 1.79 S ATOM 0 H CYS A 137 17.740 2.598 -6.630 1.00 0.30 H new ATOM 0 HA CYS A 137 15.548 0.943 -7.187 1.00 0.30 H new ATOM 0 HB2 CYS A 137 17.871 2.028 -8.795 1.00 0.31 H new ATOM 0 HB3 CYS A 137 16.719 0.919 -9.512 1.00 0.31 H new ATOM 0 HG CYS A 137 16.143 4.093 -8.376 1.00 1.79 H new ATOM 2244 N LYS A 138 18.547 -0.507 -7.198 1.00 0.25 N ATOM 2245 CA LYS A 138 19.184 -1.822 -7.247 1.00 0.26 C ATOM 2246 C LYS A 138 18.858 -2.604 -5.981 1.00 0.27 C ATOM 2247 O LYS A 138 18.506 -3.778 -6.054 1.00 0.30 O ATOM 2248 CB LYS A 138 20.694 -1.698 -7.494 1.00 0.33 C ATOM 2249 CG LYS A 138 21.007 -1.228 -8.925 1.00 0.79 C ATOM 2250 CD LYS A 138 20.665 -2.294 -9.981 1.00 1.35 C ATOM 2251 CE LYS A 138 20.922 -1.791 -11.404 1.00 2.09 C ATOM 2252 NZ LYS A 138 22.365 -1.684 -11.714 1.00 2.28 N ATOM 0 H LYS A 138 19.185 0.277 -7.059 1.00 0.25 H new ATOM 0 HA LYS A 138 18.783 -2.382 -8.092 1.00 0.26 H new ATOM 0 HB2 LYS A 138 21.122 -0.995 -6.780 1.00 0.33 H new ATOM 0 HB3 LYS A 138 21.171 -2.662 -7.317 1.00 0.33 H new ATOM 0 HG2 LYS A 138 20.446 -0.318 -9.136 1.00 0.79 H new ATOM 0 HG3 LYS A 138 22.065 -0.974 -8.998 1.00 0.79 H new ATOM 0 HD2 LYS A 138 21.260 -3.189 -9.799 1.00 1.35 H new ATOM 0 HD3 LYS A 138 19.618 -2.581 -9.881 1.00 1.35 H new ATOM 0 HE2 LYS A 138 20.450 -2.468 -12.116 1.00 2.09 H new ATOM 0 HE3 LYS A 138 20.453 -0.816 -11.532 1.00 2.09 H new ATOM 0 HZ1 LYS A 138 22.486 -1.340 -12.688 1.00 2.28 H new ATOM 0 HZ2 LYS A 138 22.814 -1.018 -11.053 1.00 2.28 H new ATOM 0 HZ3 LYS A 138 22.811 -2.619 -11.619 1.00 2.28 H new ATOM 2266 N ASN A 139 18.903 -1.939 -4.826 1.00 0.27 N ATOM 2267 CA ASN A 139 18.374 -2.508 -3.594 1.00 0.26 C ATOM 2268 C ASN A 139 16.976 -3.062 -3.813 1.00 0.26 C ATOM 2269 O ASN A 139 16.709 -4.183 -3.406 1.00 0.32 O ATOM 2270 CB ASN A 139 18.322 -1.463 -2.477 1.00 0.33 C ATOM 2271 CG ASN A 139 19.539 -1.522 -1.569 1.00 0.66 C ATOM 2272 OD1 ASN A 139 19.779 -2.527 -0.906 1.00 1.64 O ATOM 2273 ND2 ASN A 139 20.308 -0.449 -1.498 1.00 0.71 N ATOM 0 H ASN A 139 19.301 -1.006 -4.722 1.00 0.27 H new ATOM 0 HA ASN A 139 19.046 -3.314 -3.298 1.00 0.26 H new ATOM 0 HB2 ASN A 139 18.249 -0.469 -2.917 1.00 0.33 H new ATOM 0 HB3 ASN A 139 17.421 -1.616 -1.883 1.00 0.33 H new ATOM 0 HD21 ASN A 139 21.121 -0.444 -0.882 1.00 0.71 H new ATOM 0 HD22 ASN A 139 20.088 0.374 -2.059 1.00 0.71 H new ATOM 2280 N ALA A 140 16.076 -2.282 -4.412 1.00 0.25 N ATOM 2281 CA ALA A 140 14.691 -2.667 -4.603 1.00 0.24 C ATOM 2282 C ALA A 140 14.584 -3.879 -5.514 1.00 0.22 C ATOM 2283 O ALA A 140 13.799 -4.760 -5.222 1.00 0.26 O ATOM 2284 CB ALA A 140 13.865 -1.512 -5.162 1.00 0.27 C ATOM 0 H ALA A 140 16.298 -1.357 -4.780 1.00 0.25 H new ATOM 0 HA ALA A 140 14.288 -2.931 -3.625 1.00 0.24 H new ATOM 0 HB1 ALA A 140 12.832 -1.834 -5.293 1.00 0.27 H new ATOM 0 HB2 ALA A 140 13.898 -0.672 -4.468 1.00 0.27 H new ATOM 0 HB3 ALA A 140 14.274 -1.204 -6.124 1.00 0.27 H new ATOM 2290 N GLU A 141 15.327 -3.944 -6.613 1.00 0.21 N ATOM 2291 CA GLU A 141 15.337 -5.097 -7.503 1.00 0.23 C ATOM 2292 C GLU A 141 15.569 -6.379 -6.709 1.00 0.25 C ATOM 2293 O GLU A 141 14.848 -7.367 -6.858 1.00 0.31 O ATOM 2294 CB GLU A 141 16.410 -4.852 -8.572 1.00 0.29 C ATOM 2295 CG GLU A 141 16.501 -5.994 -9.585 1.00 1.00 C ATOM 2296 CD GLU A 141 17.297 -5.617 -10.845 1.00 1.03 C ATOM 2297 OE1 GLU A 141 17.325 -6.467 -11.765 1.00 2.38 O ATOM 2298 OE2 GLU A 141 17.811 -4.478 -10.913 1.00 1.07 O ATOM 0 H GLU A 141 15.945 -3.190 -6.913 1.00 0.21 H new ATOM 0 HA GLU A 141 14.374 -5.224 -7.998 1.00 0.23 H new ATOM 0 HB2 GLU A 141 16.190 -3.922 -9.097 1.00 0.29 H new ATOM 0 HB3 GLU A 141 17.378 -4.723 -8.087 1.00 0.29 H new ATOM 0 HG2 GLU A 141 16.969 -6.857 -9.111 1.00 1.00 H new ATOM 0 HG3 GLU A 141 15.495 -6.297 -9.875 1.00 1.00 H new ATOM 2305 N GLU A 142 16.558 -6.340 -5.821 1.00 0.26 N ATOM 2306 CA GLU A 142 16.871 -7.479 -4.983 1.00 0.29 C ATOM 2307 C GLU A 142 15.759 -7.722 -3.970 1.00 0.30 C ATOM 2308 O GLU A 142 15.355 -8.859 -3.778 1.00 0.34 O ATOM 2309 CB GLU A 142 18.183 -7.247 -4.217 1.00 0.33 C ATOM 2310 CG GLU A 142 19.420 -7.814 -4.916 1.00 0.48 C ATOM 2311 CD GLU A 142 20.647 -7.702 -4.004 1.00 1.20 C ATOM 2312 OE1 GLU A 142 20.486 -7.982 -2.789 1.00 1.93 O ATOM 2313 OE2 GLU A 142 21.724 -7.334 -4.516 1.00 2.05 O ATOM 0 H GLU A 142 17.154 -5.527 -5.668 1.00 0.26 H new ATOM 0 HA GLU A 142 16.974 -8.346 -5.635 1.00 0.29 H new ATOM 0 HB2 GLU A 142 18.321 -6.176 -4.069 1.00 0.33 H new ATOM 0 HB3 GLU A 142 18.099 -7.697 -3.228 1.00 0.33 H new ATOM 0 HG2 GLU A 142 19.250 -8.858 -5.181 1.00 0.48 H new ATOM 0 HG3 GLU A 142 19.600 -7.274 -5.846 1.00 0.48 H new ATOM 2320 N PHE A 143 15.318 -6.686 -3.258 1.00 0.29 N ATOM 2321 CA PHE A 143 14.374 -6.778 -2.146 1.00 0.31 C ATOM 2322 C PHE A 143 13.071 -7.394 -2.624 1.00 0.26 C ATOM 2323 O PHE A 143 12.523 -8.297 -1.994 1.00 0.26 O ATOM 2324 CB PHE A 143 14.126 -5.385 -1.544 1.00 0.36 C ATOM 2325 CG PHE A 143 14.443 -5.264 -0.068 1.00 0.96 C ATOM 2326 CD1 PHE A 143 13.539 -4.622 0.799 1.00 0.93 C ATOM 2327 CD2 PHE A 143 15.687 -5.706 0.424 1.00 1.96 C ATOM 2328 CE1 PHE A 143 13.887 -4.421 2.147 1.00 1.72 C ATOM 2329 CE2 PHE A 143 16.020 -5.522 1.778 1.00 2.75 C ATOM 2330 CZ PHE A 143 15.120 -4.874 2.639 1.00 2.59 C ATOM 0 H PHE A 143 15.618 -5.729 -3.445 1.00 0.29 H new ATOM 0 HA PHE A 143 14.797 -7.416 -1.371 1.00 0.31 H new ATOM 0 HB2 PHE A 143 14.725 -4.657 -2.091 1.00 0.36 H new ATOM 0 HB3 PHE A 143 13.081 -5.119 -1.700 1.00 0.36 H new ATOM 0 HD1 PHE A 143 12.581 -4.285 0.431 1.00 0.93 H new ATOM 0 HD2 PHE A 143 16.388 -6.188 -0.241 1.00 1.96 H new ATOM 0 HE1 PHE A 143 13.200 -3.914 2.808 1.00 1.72 H new ATOM 0 HE2 PHE A 143 16.967 -5.879 2.155 1.00 2.75 H new ATOM 0 HZ PHE A 143 15.376 -4.725 3.677 1.00 2.59 H new ATOM 2340 N THR A 144 12.597 -6.910 -3.765 1.00 0.24 N ATOM 2341 CA THR A 144 11.477 -7.455 -4.487 1.00 0.25 C ATOM 2342 C THR A 144 11.683 -8.960 -4.682 1.00 0.27 C ATOM 2343 O THR A 144 10.816 -9.748 -4.331 1.00 0.32 O ATOM 2344 CB THR A 144 11.338 -6.691 -5.808 1.00 0.27 C ATOM 2345 OG1 THR A 144 11.018 -5.338 -5.576 1.00 0.32 O ATOM 2346 CG2 THR A 144 10.212 -7.285 -6.626 1.00 0.30 C ATOM 0 H THR A 144 13.005 -6.095 -4.223 1.00 0.24 H new ATOM 0 HA THR A 144 10.545 -7.335 -3.934 1.00 0.25 H new ATOM 0 HB THR A 144 12.290 -6.765 -6.334 1.00 0.27 H new ATOM 0 HG1 THR A 144 11.838 -4.835 -5.390 1.00 0.32 H new ATOM 0 HG21 THR A 144 10.117 -6.739 -7.564 1.00 0.30 H new ATOM 0 HG22 THR A 144 10.428 -8.332 -6.836 1.00 0.30 H new ATOM 0 HG23 THR A 144 9.279 -7.212 -6.067 1.00 0.30 H new ATOM 2354 N LYS A 145 12.828 -9.388 -5.212 1.00 0.29 N ATOM 2355 CA LYS A 145 13.093 -10.817 -5.375 1.00 0.34 C ATOM 2356 C LYS A 145 13.176 -11.566 -4.036 1.00 0.41 C ATOM 2357 O LYS A 145 12.789 -12.729 -3.981 1.00 0.66 O ATOM 2358 CB LYS A 145 14.346 -10.987 -6.247 1.00 0.40 C ATOM 2359 CG LYS A 145 14.720 -12.443 -6.570 1.00 1.20 C ATOM 2360 CD LYS A 145 15.574 -13.107 -5.478 1.00 1.94 C ATOM 2361 CE LYS A 145 16.510 -14.161 -6.076 1.00 2.13 C ATOM 2362 NZ LYS A 145 15.781 -15.367 -6.526 1.00 3.28 N ATOM 0 H LYS A 145 13.578 -8.775 -5.532 1.00 0.29 H new ATOM 0 HA LYS A 145 12.249 -11.282 -5.884 1.00 0.34 H new ATOM 0 HB2 LYS A 145 14.194 -10.450 -7.184 1.00 0.40 H new ATOM 0 HB3 LYS A 145 15.189 -10.515 -5.742 1.00 0.40 H new ATOM 0 HG2 LYS A 145 13.808 -13.023 -6.711 1.00 1.20 H new ATOM 0 HG3 LYS A 145 15.264 -12.470 -7.514 1.00 1.20 H new ATOM 0 HD2 LYS A 145 16.160 -12.349 -4.959 1.00 1.94 H new ATOM 0 HD3 LYS A 145 14.924 -13.572 -4.736 1.00 1.94 H new ATOM 0 HE2 LYS A 145 17.049 -13.729 -6.919 1.00 2.13 H new ATOM 0 HE3 LYS A 145 17.255 -14.445 -5.333 1.00 2.13 H new ATOM 0 HZ1 LYS A 145 16.455 -16.052 -6.923 1.00 3.28 H new ATOM 0 HZ2 LYS A 145 15.287 -15.796 -5.717 1.00 3.28 H new ATOM 0 HZ3 LYS A 145 15.087 -15.102 -7.254 1.00 3.28 H new ATOM 2376 N LYS A 146 13.723 -10.968 -2.972 1.00 0.30 N ATOM 2377 CA LYS A 146 13.936 -11.628 -1.688 1.00 0.32 C ATOM 2378 C LYS A 146 12.597 -11.949 -1.037 1.00 0.29 C ATOM 2379 O LYS A 146 12.335 -13.089 -0.672 1.00 0.33 O ATOM 2380 CB LYS A 146 14.771 -10.716 -0.785 1.00 0.38 C ATOM 2381 CG LYS A 146 16.260 -10.791 -1.139 1.00 0.66 C ATOM 2382 CD LYS A 146 16.911 -9.443 -0.840 1.00 1.26 C ATOM 2383 CE LYS A 146 18.410 -9.609 -0.566 1.00 1.44 C ATOM 2384 NZ LYS A 146 19.145 -8.326 -0.605 1.00 2.49 N ATOM 0 H LYS A 146 14.034 -9.997 -2.983 1.00 0.30 H new ATOM 0 HA LYS A 146 14.473 -12.564 -1.842 1.00 0.32 H new ATOM 0 HB2 LYS A 146 14.423 -9.688 -0.883 1.00 0.38 H new ATOM 0 HB3 LYS A 146 14.628 -11.003 0.257 1.00 0.38 H new ATOM 0 HG2 LYS A 146 16.745 -11.579 -0.563 1.00 0.66 H new ATOM 0 HG3 LYS A 146 16.384 -11.044 -2.192 1.00 0.66 H new ATOM 0 HD2 LYS A 146 16.764 -8.768 -1.683 1.00 1.26 H new ATOM 0 HD3 LYS A 146 16.428 -8.985 0.023 1.00 1.26 H new ATOM 0 HE2 LYS A 146 18.547 -10.071 0.411 1.00 1.44 H new ATOM 0 HE3 LYS A 146 18.836 -10.289 -1.303 1.00 1.44 H new ATOM 0 HZ1 LYS A 146 19.919 -8.390 -1.297 1.00 2.49 H new ATOM 0 HZ2 LYS A 146 18.496 -7.562 -0.881 1.00 2.49 H new ATOM 0 HZ3 LYS A 146 19.538 -8.122 0.336 1.00 2.49 H new ATOM 2398 N TYR A 147 11.800 -10.907 -0.817 1.00 0.26 N ATOM 2399 CA TYR A 147 10.576 -10.942 -0.036 1.00 0.27 C ATOM 2400 C TYR A 147 9.351 -10.474 -0.809 1.00 0.26 C ATOM 2401 O TYR A 147 8.244 -10.727 -0.353 1.00 0.40 O ATOM 2402 CB TYR A 147 10.754 -10.053 1.190 1.00 0.37 C ATOM 2403 CG TYR A 147 10.921 -10.874 2.436 1.00 0.37 C ATOM 2404 CD1 TYR A 147 12.207 -11.236 2.864 1.00 1.87 C ATOM 2405 CD2 TYR A 147 9.783 -11.363 3.100 1.00 1.75 C ATOM 2406 CE1 TYR A 147 12.360 -12.079 3.973 1.00 1.86 C ATOM 2407 CE2 TYR A 147 9.930 -12.209 4.210 1.00 1.79 C ATOM 2408 CZ TYR A 147 11.223 -12.569 4.653 1.00 0.42 C ATOM 2409 OH TYR A 147 11.378 -13.348 5.758 1.00 0.49 O ATOM 0 H TYR A 147 12.001 -9.981 -1.194 1.00 0.26 H new ATOM 0 HA TYR A 147 10.400 -11.982 0.239 1.00 0.27 H new ATOM 0 HB2 TYR A 147 11.625 -9.412 1.054 1.00 0.37 H new ATOM 0 HB3 TYR A 147 9.889 -9.398 1.296 1.00 0.37 H new ATOM 0 HD1 TYR A 147 13.076 -10.866 2.341 1.00 1.87 H new ATOM 0 HD2 TYR A 147 8.797 -11.088 2.757 1.00 1.75 H new ATOM 0 HE1 TYR A 147 13.349 -12.354 4.308 1.00 1.86 H new ATOM 0 HE2 TYR A 147 9.057 -12.584 4.724 1.00 1.79 H new ATOM 0 HH TYR A 147 10.497 -13.600 6.107 1.00 0.49 H new ATOM 2419 N GLY A 148 9.525 -9.708 -1.886 1.00 0.20 N ATOM 2420 CA GLY A 148 8.411 -9.141 -2.631 1.00 0.21 C ATOM 2421 C GLY A 148 7.490 -10.231 -3.170 1.00 0.25 C ATOM 2422 O GLY A 148 7.897 -11.372 -3.380 1.00 0.35 O ATOM 0 H GLY A 148 10.442 -9.466 -2.262 1.00 0.20 H new ATOM 0 HA2 GLY A 148 7.844 -8.470 -1.986 1.00 0.21 H new ATOM 0 HA3 GLY A 148 8.792 -8.542 -3.458 1.00 0.21 H new ATOM 2426 N GLU A 149 6.225 -9.879 -3.383 1.00 0.22 N ATOM 2427 CA GLU A 149 5.253 -10.829 -3.894 1.00 0.23 C ATOM 2428 C GLU A 149 5.569 -11.150 -5.354 1.00 0.24 C ATOM 2429 O GLU A 149 6.200 -10.370 -6.069 1.00 0.31 O ATOM 2430 CB GLU A 149 3.830 -10.269 -3.769 1.00 0.32 C ATOM 2431 CG GLU A 149 3.051 -10.916 -2.619 1.00 0.75 C ATOM 2432 CD GLU A 149 2.622 -12.365 -2.850 1.00 0.68 C ATOM 2433 OE1 GLU A 149 3.153 -12.977 -3.802 1.00 1.45 O ATOM 2434 OE2 GLU A 149 1.767 -12.831 -2.056 1.00 1.49 O ATOM 0 H GLU A 149 5.854 -8.945 -3.209 1.00 0.22 H new ATOM 0 HA GLU A 149 5.311 -11.744 -3.304 1.00 0.23 H new ATOM 0 HB2 GLU A 149 3.878 -9.191 -3.612 1.00 0.32 H new ATOM 0 HB3 GLU A 149 3.294 -10.431 -4.704 1.00 0.32 H new ATOM 0 HG2 GLU A 149 3.665 -10.876 -1.719 1.00 0.75 H new ATOM 0 HG3 GLU A 149 2.161 -10.318 -2.424 1.00 0.75 H new ATOM 2441 N LYS A 150 5.075 -12.279 -5.843 1.00 0.27 N ATOM 2442 CA LYS A 150 5.275 -12.654 -7.235 1.00 0.36 C ATOM 2443 C LYS A 150 4.222 -11.961 -8.091 1.00 0.39 C ATOM 2444 O LYS A 150 3.160 -12.520 -8.359 1.00 0.56 O ATOM 2445 CB LYS A 150 5.280 -14.173 -7.420 1.00 0.49 C ATOM 2446 CG LYS A 150 4.194 -14.912 -6.627 1.00 1.47 C ATOM 2447 CD LYS A 150 4.175 -16.405 -6.964 1.00 2.20 C ATOM 2448 CE LYS A 150 3.735 -16.662 -8.412 1.00 3.64 C ATOM 2449 NZ LYS A 150 4.877 -16.885 -9.330 1.00 4.85 N ATOM 0 H LYS A 150 4.534 -12.950 -5.297 1.00 0.27 H new ATOM 0 HA LYS A 150 6.260 -12.320 -7.562 1.00 0.36 H new ATOM 0 HB2 LYS A 150 5.156 -14.398 -8.479 1.00 0.49 H new ATOM 0 HB3 LYS A 150 6.255 -14.560 -7.124 1.00 0.49 H new ATOM 0 HG2 LYS A 150 4.368 -14.781 -5.559 1.00 1.47 H new ATOM 0 HG3 LYS A 150 3.220 -14.475 -6.847 1.00 1.47 H new ATOM 0 HD2 LYS A 150 5.169 -16.825 -6.807 1.00 2.20 H new ATOM 0 HD3 LYS A 150 3.499 -16.922 -6.283 1.00 2.20 H new ATOM 0 HE2 LYS A 150 3.079 -17.532 -8.438 1.00 3.64 H new ATOM 0 HE3 LYS A 150 3.152 -15.812 -8.766 1.00 3.64 H new ATOM 0 HZ1 LYS A 150 4.664 -16.465 -10.257 1.00 4.85 H new ATOM 0 HZ2 LYS A 150 5.731 -16.440 -8.937 1.00 4.85 H new ATOM 0 HZ3 LYS A 150 5.039 -17.906 -9.441 1.00 4.85 H new ATOM 2463 N ARG A 151 4.515 -10.734 -8.521 1.00 0.39 N ATOM 2464 CA ARG A 151 3.571 -9.968 -9.324 1.00 0.42 C ATOM 2465 C ARG A 151 3.215 -10.723 -10.602 1.00 0.61 C ATOM 2466 O ARG A 151 4.053 -11.442 -11.148 1.00 0.85 O ATOM 2467 CB ARG A 151 4.103 -8.555 -9.580 1.00 0.61 C ATOM 2468 CG ARG A 151 5.288 -8.403 -10.530 1.00 1.04 C ATOM 2469 CD ARG A 151 4.923 -8.486 -12.013 1.00 1.42 C ATOM 2470 NE ARG A 151 5.800 -9.416 -12.731 1.00 1.46 N ATOM 2471 CZ ARG A 151 5.882 -9.499 -14.060 1.00 2.23 C ATOM 2472 NH1 ARG A 151 6.935 -10.103 -14.613 1.00 2.74 N ATOM 2473 NH2 ARG A 151 4.922 -8.970 -14.820 1.00 3.50 N ATOM 0 H ARG A 151 5.394 -10.254 -8.327 1.00 0.39 H new ATOM 0 HA ARG A 151 2.640 -9.849 -8.770 1.00 0.42 H new ATOM 0 HB2 ARG A 151 3.282 -7.953 -9.970 1.00 0.61 H new ATOM 0 HB3 ARG A 151 4.386 -8.124 -8.620 1.00 0.61 H new ATOM 0 HG2 ARG A 151 5.770 -7.444 -10.340 1.00 1.04 H new ATOM 0 HG3 ARG A 151 6.021 -9.178 -10.305 1.00 1.04 H new ATOM 0 HD2 ARG A 151 3.887 -8.808 -12.116 1.00 1.42 H new ATOM 0 HD3 ARG A 151 4.995 -7.496 -12.463 1.00 1.42 H new ATOM 0 HE ARG A 151 6.386 -10.041 -12.178 1.00 1.46 H new ATOM 0 HH11 ARG A 151 7.667 -10.496 -14.021 1.00 2.74 H new ATOM 0 HH12 ARG A 151 7.008 -10.172 -15.628 1.00 2.74 H new ATOM 0 HH21 ARG A 151 4.127 -8.503 -14.385 1.00 3.50 H new ATOM 0 HH22 ARG A 151 4.983 -9.033 -15.836 1.00 3.50 H new