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 130 SER OG : rot 180:sc= 0.578 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -153:sc= 0.633 (180deg=-0.626) USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc=0.000507 USER MOD Set 2.2: A 103 GLN : amide:sc=-0.00728 K(o=-0.0068,f=-0.76) USER MOD Set 3.1: A 75 TYR OH : rot -116:sc= 0.215 USER MOD Set 3.2: A 76 HIS : no HD1:sc= -4.65! C(o=-4.4!,f=-5.2!) USER MOD Set 4.1: A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0664) USER MOD Set 4.2: A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 24 ASN : amide:sc= -0.127 K(o=-0.35,f=-1.6) USER MOD Set 5.2: A 26 GLN : amide:sc= -0.22 K(o=-0.35,f=-0.94) USER MOD Single : A 4 SER OG : rot 100:sc= -1.64 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+ -121:sc= 1.11 (180deg=-1.53) USER MOD Single : A 17 CYS SG : rot -31:sc= 0.00361 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.48 K(o=1.5,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-1.1) 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= 0.802 K(o=0.8,f=0) USER MOD Single : A 61 TYR OH : rot -43:sc= 0.809 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.14) USER MOD Single : A 72 THR OG1 : rot 11:sc=-0.00324 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.274 K(o=0.27,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc=-0.00699 (180deg=-0.116) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc=-0.00781 X(o=-0.0078,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0.0642 (180deg=0.0235) USER MOD Single : A 101 THR OG1 : rot -166:sc= 1.69 USER MOD Single : A 106 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.1) USER MOD Single : A 107 SER OG : rot -140:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.57 K(o=1.6,f=-7.7!) USER MOD Single : A 116 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.212 K(o=0.21,f=-1.8) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -117:sc= 1.01 (180deg=-1.19!) USER MOD Single : A 139 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 144 THR OG1 : rot 87:sc= 0.717 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 170:sc= -0.201 (180deg=-0.487) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.390 -0.701 7.970 1.00 0.39 N ATOM 31 CA ALA A 3 -18.281 -0.447 7.077 1.00 0.32 C ATOM 32 C ALA A 3 -18.274 -1.443 5.929 1.00 0.24 C ATOM 33 O ALA A 3 -18.151 -1.027 4.789 1.00 0.24 O ATOM 34 CB ALA A 3 -16.967 -0.501 7.850 1.00 0.40 C ATOM 0 HA ALA A 3 -18.395 0.550 6.652 1.00 0.32 H new ATOM 0 HB1 ALA A 3 -16.137 -0.309 7.170 1.00 0.40 H new ATOM 0 HB2 ALA A 3 -16.976 0.255 8.635 1.00 0.40 H new ATOM 0 HB3 ALA A 3 -16.848 -1.488 8.297 1.00 0.40 H new ATOM 40 N SER A 4 -18.441 -2.740 6.202 1.00 0.27 N ATOM 41 CA SER A 4 -18.399 -3.792 5.198 1.00 0.33 C ATOM 42 C SER A 4 -19.339 -3.511 4.039 1.00 0.35 C ATOM 43 O SER A 4 -19.024 -3.840 2.902 1.00 0.43 O ATOM 44 CB SER A 4 -18.816 -5.120 5.817 1.00 0.43 C ATOM 45 OG SER A 4 -18.065 -5.417 6.962 1.00 1.89 O ATOM 0 H SER A 4 -18.612 -3.088 7.145 1.00 0.27 H new ATOM 0 HA SER A 4 -17.375 -3.832 4.828 1.00 0.33 H new ATOM 0 HB2 SER A 4 -19.874 -5.085 6.075 1.00 0.43 H new ATOM 0 HB3 SER A 4 -18.693 -5.918 5.084 1.00 0.43 H new ATOM 0 HG SER A 4 -18.584 -5.189 7.762 1.00 1.89 H new ATOM 51 N ARG A 5 -20.507 -2.923 4.304 1.00 0.39 N ATOM 52 CA ARG A 5 -21.457 -2.638 3.236 1.00 0.49 C ATOM 53 C ARG A 5 -20.834 -1.687 2.225 1.00 0.46 C ATOM 54 O ARG A 5 -21.006 -1.846 1.019 1.00 0.63 O ATOM 55 CB ARG A 5 -22.753 -2.067 3.825 1.00 0.58 C ATOM 56 CG ARG A 5 -23.319 -3.045 4.869 1.00 0.81 C ATOM 57 CD ARG A 5 -24.820 -3.286 4.689 1.00 1.30 C ATOM 58 NE ARG A 5 -25.260 -4.442 5.486 1.00 1.82 N ATOM 59 CZ ARG A 5 -26.471 -5.010 5.428 1.00 2.30 C ATOM 60 NH1 ARG A 5 -26.724 -6.118 6.127 1.00 2.85 N ATOM 61 NH2 ARG A 5 -27.425 -4.472 4.667 1.00 2.77 N ATOM 0 H ARG A 5 -20.812 -2.640 5.235 1.00 0.39 H new ATOM 0 HA ARG A 5 -21.706 -3.562 2.715 1.00 0.49 H new ATOM 0 HB2 ARG A 5 -22.559 -1.099 4.286 1.00 0.58 H new ATOM 0 HB3 ARG A 5 -23.483 -1.902 3.033 1.00 0.58 H new ATOM 0 HG2 ARG A 5 -22.790 -3.995 4.797 1.00 0.81 H new ATOM 0 HG3 ARG A 5 -23.134 -2.652 5.869 1.00 0.81 H new ATOM 0 HD2 ARG A 5 -25.375 -2.398 4.991 1.00 1.30 H new ATOM 0 HD3 ARG A 5 -25.042 -3.458 3.636 1.00 1.30 H new ATOM 0 HE ARG A 5 -24.586 -4.844 6.137 1.00 1.82 H new ATOM 0 HH11 ARG A 5 -25.994 -6.533 6.706 1.00 2.85 H new ATOM 0 HH12 ARG A 5 -27.647 -6.550 6.082 1.00 2.85 H new ATOM 0 HH21 ARG A 5 -27.232 -3.627 4.129 1.00 2.77 H new ATOM 0 HH22 ARG A 5 -28.347 -4.905 4.623 1.00 2.77 H new ATOM 75 N ARG A 6 -20.112 -0.690 2.730 1.00 0.34 N ATOM 76 CA ARG A 6 -19.446 0.286 1.886 1.00 0.34 C ATOM 77 C ARG A 6 -18.224 -0.359 1.246 1.00 0.32 C ATOM 78 O ARG A 6 -18.041 -0.240 0.049 1.00 0.41 O ATOM 79 CB ARG A 6 -19.105 1.541 2.704 1.00 0.37 C ATOM 80 CG ARG A 6 -20.364 2.144 3.353 1.00 0.42 C ATOM 81 CD ARG A 6 -21.287 2.856 2.350 1.00 1.93 C ATOM 82 NE ARG A 6 -21.060 4.310 2.291 1.00 1.98 N ATOM 83 CZ ARG A 6 -21.439 5.191 3.230 1.00 1.80 C ATOM 84 NH1 ARG A 6 -21.271 6.501 3.039 1.00 2.36 N ATOM 85 NH2 ARG A 6 -21.995 4.763 4.364 1.00 2.76 N ATOM 0 H ARG A 6 -19.975 -0.540 3.730 1.00 0.34 H new ATOM 0 HA ARG A 6 -20.104 0.610 1.080 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -18.380 1.288 3.478 1.00 0.37 H new ATOM 0 HB3 ARG A 6 -18.635 2.283 2.058 1.00 0.37 H new ATOM 0 HG2 ARG A 6 -20.923 1.351 3.850 1.00 0.42 H new ATOM 0 HG3 ARG A 6 -20.062 2.853 4.124 1.00 0.42 H new ATOM 0 HD2 ARG A 6 -21.135 2.430 1.359 1.00 1.93 H new ATOM 0 HD3 ARG A 6 -22.325 2.667 2.622 1.00 1.93 H new ATOM 0 HE ARG A 6 -20.576 4.677 1.471 1.00 1.98 H new ATOM 0 HH11 ARG A 6 -20.851 6.841 2.174 1.00 2.36 H new ATOM 0 HH12 ARG A 6 -21.562 7.163 3.758 1.00 2.36 H new ATOM 0 HH21 ARG A 6 -22.133 3.764 4.519 1.00 2.76 H new ATOM 0 HH22 ARG A 6 -22.282 5.434 5.076 1.00 2.76 H new ATOM 99 N LEU A 7 -17.408 -1.063 2.024 1.00 0.30 N ATOM 100 CA LEU A 7 -16.111 -1.602 1.639 1.00 0.33 C ATOM 101 C LEU A 7 -16.251 -2.662 0.558 1.00 0.35 C ATOM 102 O LEU A 7 -15.389 -2.768 -0.299 1.00 0.41 O ATOM 103 CB LEU A 7 -15.421 -2.212 2.868 1.00 0.34 C ATOM 104 CG LEU A 7 -15.000 -1.159 3.903 1.00 0.36 C ATOM 105 CD1 LEU A 7 -14.681 -1.850 5.229 1.00 0.38 C ATOM 106 CD2 LEU A 7 -13.754 -0.400 3.462 1.00 0.41 C ATOM 0 H LEU A 7 -17.648 -1.284 2.991 1.00 0.30 H new ATOM 0 HA LEU A 7 -15.509 -0.785 1.240 1.00 0.33 H new ATOM 0 HB2 LEU A 7 -16.095 -2.927 3.339 1.00 0.34 H new ATOM 0 HB3 LEU A 7 -14.541 -2.768 2.545 1.00 0.34 H new ATOM 0 HG LEU A 7 -15.826 -0.456 4.009 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -14.382 -1.104 5.965 1.00 0.38 H new ATOM 0 HD12 LEU A 7 -15.565 -2.378 5.586 1.00 0.38 H new ATOM 0 HD13 LEU A 7 -13.868 -2.561 5.082 1.00 0.38 H new ATOM 0 HD21 LEU A 7 -13.488 0.336 4.221 1.00 0.41 H new ATOM 0 HD22 LEU A 7 -12.929 -1.100 3.331 1.00 0.41 H new ATOM 0 HD23 LEU A 7 -13.952 0.108 2.518 1.00 0.41 H new ATOM 118 N MET A 8 -17.304 -3.473 0.602 1.00 0.36 N ATOM 119 CA MET A 8 -17.553 -4.509 -0.389 1.00 0.45 C ATOM 120 C MET A 8 -17.861 -3.853 -1.724 1.00 0.38 C ATOM 121 O MET A 8 -17.246 -4.190 -2.731 1.00 0.40 O ATOM 122 CB MET A 8 -18.694 -5.407 0.113 1.00 0.55 C ATOM 123 CG MET A 8 -18.897 -6.669 -0.730 1.00 0.82 C ATOM 124 SD MET A 8 -19.783 -6.430 -2.290 1.00 2.27 S ATOM 125 CE MET A 8 -19.759 -8.134 -2.902 1.00 2.26 C ATOM 0 H MET A 8 -18.013 -3.427 1.334 1.00 0.36 H new ATOM 0 HA MET A 8 -16.677 -5.142 -0.535 1.00 0.45 H new ATOM 0 HB2 MET A 8 -18.490 -5.698 1.144 1.00 0.55 H new ATOM 0 HB3 MET A 8 -19.620 -4.833 0.121 1.00 0.55 H new ATOM 0 HG2 MET A 8 -17.920 -7.099 -0.950 1.00 0.82 H new ATOM 0 HG3 MET A 8 -19.440 -7.401 -0.132 1.00 0.82 H new ATOM 0 HE1 MET A 8 -20.266 -8.182 -3.866 1.00 2.26 H new ATOM 0 HE2 MET A 8 -18.727 -8.464 -3.018 1.00 2.26 H new ATOM 0 HE3 MET A 8 -20.270 -8.783 -2.191 1.00 2.26 H new ATOM 135 N LYS A 9 -18.790 -2.893 -1.735 1.00 0.35 N ATOM 136 CA LYS A 9 -19.125 -2.178 -2.963 1.00 0.34 C ATOM 137 C LYS A 9 -17.888 -1.478 -3.514 1.00 0.32 C ATOM 138 O LYS A 9 -17.539 -1.667 -4.667 1.00 0.39 O ATOM 139 CB LYS A 9 -20.297 -1.216 -2.717 1.00 0.45 C ATOM 140 CG LYS A 9 -21.609 -1.825 -3.227 1.00 1.78 C ATOM 141 CD LYS A 9 -21.948 -3.190 -2.610 1.00 2.63 C ATOM 142 CE LYS A 9 -23.041 -3.884 -3.431 1.00 3.85 C ATOM 143 NZ LYS A 9 -24.349 -3.208 -3.313 1.00 4.21 N ATOM 0 H LYS A 9 -19.318 -2.597 -0.914 1.00 0.35 H new ATOM 0 HA LYS A 9 -19.455 -2.886 -3.723 1.00 0.34 H new ATOM 0 HB2 LYS A 9 -20.380 -0.999 -1.652 1.00 0.45 H new ATOM 0 HB3 LYS A 9 -20.109 -0.268 -3.221 1.00 0.45 H new ATOM 0 HG2 LYS A 9 -22.424 -1.132 -3.019 1.00 1.78 H new ATOM 0 HG3 LYS A 9 -21.550 -1.932 -4.310 1.00 1.78 H new ATOM 0 HD2 LYS A 9 -21.055 -3.815 -2.577 1.00 2.63 H new ATOM 0 HD3 LYS A 9 -22.283 -3.059 -1.581 1.00 2.63 H new ATOM 0 HE2 LYS A 9 -22.742 -3.911 -4.479 1.00 3.85 H new ATOM 0 HE3 LYS A 9 -23.138 -4.918 -3.100 1.00 3.85 H new ATOM 0 HZ1 LYS A 9 -25.054 -3.714 -3.886 1.00 4.21 H new ATOM 0 HZ2 LYS A 9 -24.649 -3.204 -2.317 1.00 4.21 H new ATOM 0 HZ3 LYS A 9 -24.266 -2.229 -3.653 1.00 4.21 H new ATOM 157 N GLU A 10 -17.189 -0.727 -2.673 1.00 0.29 N ATOM 158 CA GLU A 10 -15.947 -0.046 -2.999 1.00 0.32 C ATOM 159 C GLU A 10 -14.939 -1.017 -3.596 1.00 0.28 C ATOM 160 O GLU A 10 -14.299 -0.697 -4.583 1.00 0.32 O ATOM 161 CB GLU A 10 -15.375 0.585 -1.727 1.00 0.36 C ATOM 162 CG GLU A 10 -16.190 1.809 -1.291 1.00 0.55 C ATOM 163 CD GLU A 10 -15.863 3.073 -2.082 1.00 1.10 C ATOM 164 OE1 GLU A 10 -14.687 3.225 -2.474 1.00 1.82 O ATOM 165 OE2 GLU A 10 -16.788 3.909 -2.208 1.00 1.78 O ATOM 0 H GLU A 10 -17.484 -0.571 -1.709 1.00 0.29 H new ATOM 0 HA GLU A 10 -16.150 0.729 -3.738 1.00 0.32 H new ATOM 0 HB2 GLU A 10 -15.368 -0.153 -0.925 1.00 0.36 H new ATOM 0 HB3 GLU A 10 -14.340 0.879 -1.899 1.00 0.36 H new ATOM 0 HG2 GLU A 10 -17.251 1.586 -1.400 1.00 0.55 H new ATOM 0 HG3 GLU A 10 -16.011 1.996 -0.232 1.00 0.55 H new ATOM 172 N LEU A 11 -14.765 -2.196 -3.006 1.00 0.27 N ATOM 173 CA LEU A 11 -13.793 -3.166 -3.475 1.00 0.28 C ATOM 174 C LEU A 11 -14.164 -3.635 -4.872 1.00 0.28 C ATOM 175 O LEU A 11 -13.296 -3.778 -5.732 1.00 0.27 O ATOM 176 CB LEU A 11 -13.702 -4.350 -2.505 1.00 0.31 C ATOM 177 CG LEU A 11 -12.577 -5.296 -2.953 1.00 0.27 C ATOM 178 CD1 LEU A 11 -11.731 -5.814 -1.783 1.00 0.53 C ATOM 179 CD2 LEU A 11 -13.167 -6.486 -3.718 1.00 0.27 C ATOM 0 H LEU A 11 -15.296 -2.501 -2.190 1.00 0.27 H new ATOM 0 HA LEU A 11 -12.812 -2.693 -3.517 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.509 -3.991 -1.494 1.00 0.31 H new ATOM 0 HB3 LEU A 11 -14.651 -4.885 -2.477 1.00 0.31 H new ATOM 0 HG LEU A 11 -11.919 -4.716 -3.599 1.00 0.27 H new ATOM 0 HD11 LEU A 11 -10.953 -6.477 -2.162 1.00 0.53 H new ATOM 0 HD12 LEU A 11 -11.270 -4.972 -1.266 1.00 0.53 H new ATOM 0 HD13 LEU A 11 -12.368 -6.362 -1.088 1.00 0.53 H new ATOM 0 HD21 LEU A 11 -12.363 -7.152 -4.032 1.00 0.27 H new ATOM 0 HD22 LEU A 11 -13.856 -7.029 -3.071 1.00 0.27 H new ATOM 0 HD23 LEU A 11 -13.703 -6.125 -4.596 1.00 0.27 H new ATOM 191 N GLU A 12 -15.447 -3.918 -5.090 1.00 0.31 N ATOM 192 CA GLU A 12 -15.918 -4.322 -6.401 1.00 0.35 C ATOM 193 C GLU A 12 -15.597 -3.226 -7.419 1.00 0.35 C ATOM 194 O GLU A 12 -14.930 -3.496 -8.419 1.00 0.40 O ATOM 195 CB GLU A 12 -17.404 -4.698 -6.339 1.00 0.41 C ATOM 196 CG GLU A 12 -17.891 -5.101 -7.733 1.00 0.55 C ATOM 197 CD GLU A 12 -18.950 -6.202 -7.706 1.00 0.76 C ATOM 198 OE1 GLU A 12 -19.923 -6.090 -6.931 1.00 1.27 O ATOM 199 OE2 GLU A 12 -18.750 -7.160 -8.493 1.00 1.58 O ATOM 0 H GLU A 12 -16.172 -3.873 -4.374 1.00 0.31 H new ATOM 0 HA GLU A 12 -15.398 -5.220 -6.735 1.00 0.35 H new ATOM 0 HB2 GLU A 12 -17.552 -5.520 -5.639 1.00 0.41 H new ATOM 0 HB3 GLU A 12 -17.988 -3.855 -5.969 1.00 0.41 H new ATOM 0 HG2 GLU A 12 -18.300 -4.224 -8.235 1.00 0.55 H new ATOM 0 HG3 GLU A 12 -17.040 -5.439 -8.324 1.00 0.55 H new ATOM 206 N GLU A 13 -16.005 -1.992 -7.134 1.00 0.32 N ATOM 207 CA GLU A 13 -15.756 -0.814 -7.951 1.00 0.32 C ATOM 208 C GLU A 13 -14.267 -0.660 -8.246 1.00 0.32 C ATOM 209 O GLU A 13 -13.903 -0.349 -9.374 1.00 0.35 O ATOM 210 CB GLU A 13 -16.303 0.444 -7.256 1.00 0.35 C ATOM 211 CG GLU A 13 -17.683 0.856 -7.785 1.00 0.57 C ATOM 212 CD GLU A 13 -18.751 -0.230 -7.626 1.00 2.25 C ATOM 213 OE1 GLU A 13 -19.593 -0.090 -6.709 1.00 3.44 O ATOM 214 OE2 GLU A 13 -18.733 -1.166 -8.459 1.00 3.25 O ATOM 0 H GLU A 13 -16.540 -1.780 -6.292 1.00 0.32 H new ATOM 0 HA GLU A 13 -16.276 -0.941 -8.901 1.00 0.32 H new ATOM 0 HB2 GLU A 13 -16.368 0.263 -6.183 1.00 0.35 H new ATOM 0 HB3 GLU A 13 -15.603 1.267 -7.398 1.00 0.35 H new ATOM 0 HG2 GLU A 13 -18.010 1.754 -7.261 1.00 0.57 H new ATOM 0 HG3 GLU A 13 -17.595 1.116 -8.840 1.00 0.57 H new ATOM 221 N ILE A 14 -13.399 -0.879 -7.258 1.00 0.31 N ATOM 222 CA ILE A 14 -11.953 -0.789 -7.411 1.00 0.28 C ATOM 223 C ILE A 14 -11.520 -1.783 -8.475 1.00 0.27 C ATOM 224 O ILE A 14 -10.869 -1.419 -9.455 1.00 0.27 O ATOM 225 CB ILE A 14 -11.246 -1.016 -6.055 1.00 0.24 C ATOM 226 CG1 ILE A 14 -11.344 0.280 -5.231 1.00 0.26 C ATOM 227 CG2 ILE A 14 -9.755 -1.340 -6.236 1.00 0.22 C ATOM 228 CD1 ILE A 14 -10.735 0.118 -3.837 1.00 0.24 C ATOM 0 H ILE A 14 -13.690 -1.128 -6.313 1.00 0.31 H new ATOM 0 HA ILE A 14 -11.663 0.210 -7.737 1.00 0.28 H new ATOM 0 HB ILE A 14 -11.731 -1.856 -5.559 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -10.833 1.085 -5.759 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -12.390 0.573 -5.138 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -9.295 -1.493 -5.260 1.00 0.22 H new ATOM 0 HG22 ILE A 14 -9.649 -2.246 -6.833 1.00 0.22 H new ATOM 0 HG23 ILE A 14 -9.262 -0.511 -6.744 1.00 0.22 H new ATOM 0 HD11 ILE A 14 -10.825 1.056 -3.289 1.00 0.24 H new ATOM 0 HD12 ILE A 14 -11.263 -0.669 -3.298 1.00 0.24 H new ATOM 0 HD13 ILE A 14 -9.682 -0.149 -3.929 1.00 0.24 H new ATOM 240 N ARG A 15 -11.864 -3.057 -8.291 1.00 0.29 N ATOM 241 CA ARG A 15 -11.398 -4.109 -9.179 1.00 0.29 C ATOM 242 C ARG A 15 -11.839 -3.803 -10.611 1.00 0.28 C ATOM 243 O ARG A 15 -11.036 -3.899 -11.540 1.00 0.31 O ATOM 244 CB ARG A 15 -11.906 -5.463 -8.666 1.00 0.37 C ATOM 245 CG ARG A 15 -10.957 -6.586 -9.093 1.00 1.07 C ATOM 246 CD ARG A 15 -11.314 -7.888 -8.369 1.00 0.79 C ATOM 247 NE ARG A 15 -12.220 -8.747 -9.147 1.00 1.24 N ATOM 248 CZ ARG A 15 -12.833 -9.836 -8.664 1.00 1.51 C ATOM 249 NH1 ARG A 15 -13.557 -10.610 -9.476 1.00 2.44 N ATOM 250 NH2 ARG A 15 -12.718 -10.159 -7.376 1.00 1.73 N ATOM 0 H ARG A 15 -12.465 -3.381 -7.533 1.00 0.29 H new ATOM 0 HA ARG A 15 -10.309 -4.157 -9.189 1.00 0.29 H new ATOM 0 HB2 ARG A 15 -11.987 -5.440 -7.579 1.00 0.37 H new ATOM 0 HB3 ARG A 15 -12.906 -5.655 -9.056 1.00 0.37 H new ATOM 0 HG2 ARG A 15 -11.018 -6.733 -10.171 1.00 1.07 H new ATOM 0 HG3 ARG A 15 -9.928 -6.307 -8.867 1.00 1.07 H new ATOM 0 HD2 ARG A 15 -10.399 -8.438 -8.150 1.00 0.79 H new ATOM 0 HD3 ARG A 15 -11.780 -7.650 -7.413 1.00 0.79 H new ATOM 0 HE ARG A 15 -12.393 -8.496 -10.120 1.00 1.24 H new ATOM 0 HH11 ARG A 15 -13.643 -10.372 -10.464 1.00 2.44 H new ATOM 0 HH12 ARG A 15 -14.024 -11.439 -9.108 1.00 2.44 H new ATOM 0 HH21 ARG A 15 -12.161 -9.576 -6.752 1.00 1.73 H new ATOM 0 HH22 ARG A 15 -13.187 -10.989 -7.015 1.00 1.73 H new ATOM 264 N LYS A 16 -13.106 -3.406 -10.766 1.00 0.29 N ATOM 265 CA LYS A 16 -13.700 -2.964 -12.025 1.00 0.36 C ATOM 266 C LYS A 16 -12.961 -1.753 -12.595 1.00 0.37 C ATOM 267 O LYS A 16 -12.821 -1.651 -13.809 1.00 0.43 O ATOM 268 CB LYS A 16 -15.180 -2.592 -11.812 1.00 0.46 C ATOM 269 CG LYS A 16 -16.179 -3.704 -12.151 1.00 0.66 C ATOM 270 CD LYS A 16 -16.009 -4.992 -11.338 1.00 0.98 C ATOM 271 CE LYS A 16 -17.360 -5.715 -11.319 1.00 1.45 C ATOM 272 NZ LYS A 16 -17.312 -7.002 -10.597 1.00 2.36 N ATOM 0 H LYS A 16 -13.767 -3.384 -9.989 1.00 0.29 H new ATOM 0 HA LYS A 16 -13.620 -3.789 -12.733 1.00 0.36 H new ATOM 0 HB2 LYS A 16 -15.321 -2.302 -10.771 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -15.411 -1.718 -12.420 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -17.189 -3.325 -11.997 1.00 0.66 H new ATOM 0 HG3 LYS A 16 -16.087 -3.945 -13.210 1.00 0.66 H new ATOM 0 HD2 LYS A 16 -15.242 -5.626 -11.783 1.00 0.98 H new ATOM 0 HD3 LYS A 16 -15.684 -4.763 -10.323 1.00 0.98 H new ATOM 0 HE2 LYS A 16 -18.105 -5.070 -10.853 1.00 1.45 H new ATOM 0 HE3 LYS A 16 -17.687 -5.891 -12.344 1.00 1.45 H new ATOM 0 HZ1 LYS A 16 -17.590 -7.771 -11.239 1.00 2.36 H new ATOM 0 HZ2 LYS A 16 -16.345 -7.171 -10.253 1.00 2.36 H new ATOM 0 HZ3 LYS A 16 -17.967 -6.972 -9.790 1.00 2.36 H new ATOM 286 N CYS A 17 -12.514 -0.827 -11.745 1.00 0.36 N ATOM 287 CA CYS A 17 -11.912 0.432 -12.161 1.00 0.40 C ATOM 288 C CYS A 17 -10.638 0.151 -12.949 1.00 0.41 C ATOM 289 O CYS A 17 -10.264 0.933 -13.820 1.00 0.56 O ATOM 290 CB CYS A 17 -11.608 1.301 -10.931 1.00 0.41 C ATOM 291 SG CYS A 17 -11.151 2.982 -11.440 1.00 0.79 S ATOM 0 H CYS A 17 -12.563 -0.937 -10.732 1.00 0.36 H new ATOM 0 HA CYS A 17 -12.609 0.975 -12.800 1.00 0.40 H new ATOM 0 HB2 CYS A 17 -12.480 1.336 -10.279 1.00 0.41 H new ATOM 0 HB3 CYS A 17 -10.797 0.856 -10.355 1.00 0.41 H new ATOM 0 HG CYS A 17 -10.552 2.939 -12.593 1.00 0.79 H new ATOM 297 N GLY A 18 -9.969 -0.960 -12.641 1.00 0.32 N ATOM 298 CA GLY A 18 -8.889 -1.465 -13.462 1.00 0.34 C ATOM 299 C GLY A 18 -7.775 -1.943 -12.559 1.00 0.31 C ATOM 300 O GLY A 18 -6.863 -1.176 -12.266 1.00 0.31 O ATOM 0 H GLY A 18 -10.166 -1.527 -11.817 1.00 0.32 H new ATOM 0 HA2 GLY A 18 -9.243 -2.282 -14.090 1.00 0.34 H new ATOM 0 HA3 GLY A 18 -8.525 -0.684 -14.130 1.00 0.34 H new ATOM 304 N MET A 19 -7.854 -3.199 -12.114 1.00 0.33 N ATOM 305 CA MET A 19 -6.832 -3.825 -11.283 1.00 0.31 C ATOM 306 C MET A 19 -5.483 -3.914 -11.994 1.00 0.33 C ATOM 307 O MET A 19 -5.127 -4.940 -12.571 1.00 0.39 O ATOM 308 CB MET A 19 -7.305 -5.200 -10.813 1.00 0.41 C ATOM 309 CG MET A 19 -7.747 -6.133 -11.948 1.00 0.89 C ATOM 310 SD MET A 19 -7.127 -7.834 -11.793 1.00 2.07 S ATOM 311 CE MET A 19 -8.004 -8.352 -10.297 1.00 2.62 C ATOM 0 H MET A 19 -8.640 -3.814 -12.325 1.00 0.33 H new ATOM 0 HA MET A 19 -6.679 -3.191 -10.410 1.00 0.31 H new ATOM 0 HB2 MET A 19 -6.499 -5.679 -10.257 1.00 0.41 H new ATOM 0 HB3 MET A 19 -8.136 -5.069 -10.120 1.00 0.41 H new ATOM 0 HG2 MET A 19 -8.836 -6.156 -11.982 1.00 0.89 H new ATOM 0 HG3 MET A 19 -7.408 -5.719 -12.897 1.00 0.89 H new ATOM 0 HE1 MET A 19 -7.737 -9.381 -10.057 1.00 2.62 H new ATOM 0 HE2 MET A 19 -7.725 -7.701 -9.468 1.00 2.62 H new ATOM 0 HE3 MET A 19 -9.079 -8.286 -10.464 1.00 2.62 H new ATOM 321 N LYS A 20 -4.744 -2.807 -11.983 1.00 0.31 N ATOM 322 CA LYS A 20 -3.475 -2.670 -12.670 1.00 0.36 C ATOM 323 C LYS A 20 -2.354 -2.586 -11.651 1.00 0.35 C ATOM 324 O LYS A 20 -1.657 -3.564 -11.397 1.00 0.45 O ATOM 325 CB LYS A 20 -3.589 -1.491 -13.646 1.00 0.40 C ATOM 326 CG LYS A 20 -2.943 -1.824 -14.989 1.00 1.07 C ATOM 327 CD LYS A 20 -3.673 -1.022 -16.062 1.00 1.57 C ATOM 328 CE LYS A 20 -2.912 -1.119 -17.386 1.00 1.71 C ATOM 329 NZ LYS A 20 -3.602 -0.390 -18.472 1.00 2.57 N ATOM 0 H LYS A 20 -5.023 -1.964 -11.482 1.00 0.31 H new ATOM 0 HA LYS A 20 -3.224 -3.539 -13.278 1.00 0.36 H new ATOM 0 HB2 LYS A 20 -4.639 -1.240 -13.796 1.00 0.40 H new ATOM 0 HB3 LYS A 20 -3.109 -0.612 -13.216 1.00 0.40 H new ATOM 0 HG2 LYS A 20 -1.883 -1.572 -14.977 1.00 1.07 H new ATOM 0 HG3 LYS A 20 -3.014 -2.892 -15.194 1.00 1.07 H new ATOM 0 HD2 LYS A 20 -4.687 -1.401 -16.186 1.00 1.57 H new ATOM 0 HD3 LYS A 20 -3.758 0.021 -15.756 1.00 1.57 H new ATOM 0 HE2 LYS A 20 -1.908 -0.715 -17.258 1.00 1.71 H new ATOM 0 HE3 LYS A 20 -2.801 -2.167 -17.665 1.00 1.71 H new ATOM 0 HZ1 LYS A 20 -3.055 -0.480 -19.352 1.00 2.57 H new ATOM 0 HZ2 LYS A 20 -4.551 -0.792 -18.611 1.00 2.57 H new ATOM 0 HZ3 LYS A 20 -3.686 0.615 -18.217 1.00 2.57 H new ATOM 343 N ASN A 21 -2.234 -1.430 -11.003 1.00 0.32 N ATOM 344 CA ASN A 21 -1.284 -1.236 -9.921 1.00 0.25 C ATOM 345 C ASN A 21 -1.734 -1.919 -8.637 1.00 0.20 C ATOM 346 O ASN A 21 -0.983 -1.955 -7.670 1.00 0.19 O ATOM 347 CB ASN A 21 -1.124 0.252 -9.631 1.00 0.31 C ATOM 348 CG ASN A 21 -0.359 0.961 -10.733 1.00 0.50 C ATOM 349 OD1 ASN A 21 -0.922 1.807 -11.417 1.00 1.95 O ATOM 350 ND2 ASN A 21 0.899 0.604 -10.933 1.00 1.44 N ATOM 0 H ASN A 21 -2.794 -0.605 -11.216 1.00 0.32 H new ATOM 0 HA ASN A 21 -0.340 -1.676 -10.244 1.00 0.25 H new ATOM 0 HB2 ASN A 21 -2.107 0.709 -9.519 1.00 0.31 H new ATOM 0 HB3 ASN A 21 -0.602 0.384 -8.683 1.00 0.31 H new ATOM 0 HD21 ASN A 21 1.440 1.038 -11.681 1.00 1.44 H new ATOM 0 HD22 ASN A 21 1.328 -0.105 -10.339 1.00 1.44 H new ATOM 357 N PHE A 22 -2.957 -2.437 -8.592 1.00 0.26 N ATOM 358 CA PHE A 22 -3.518 -3.083 -7.426 1.00 0.23 C ATOM 359 C PHE A 22 -4.166 -4.357 -7.937 1.00 0.26 C ATOM 360 O PHE A 22 -5.079 -4.299 -8.757 1.00 0.44 O ATOM 361 CB PHE A 22 -4.505 -2.134 -6.736 1.00 0.21 C ATOM 362 CG PHE A 22 -5.492 -1.441 -7.658 1.00 0.22 C ATOM 363 CD1 PHE A 22 -6.747 -2.019 -7.909 1.00 0.20 C ATOM 364 CD2 PHE A 22 -5.143 -0.234 -8.292 1.00 0.29 C ATOM 365 CE1 PHE A 22 -7.635 -1.411 -8.808 1.00 0.24 C ATOM 366 CE2 PHE A 22 -6.039 0.383 -9.182 1.00 0.33 C ATOM 367 CZ PHE A 22 -7.288 -0.206 -9.439 1.00 0.29 C ATOM 0 H PHE A 22 -3.595 -2.415 -9.387 1.00 0.26 H new ATOM 0 HA PHE A 22 -2.773 -3.330 -6.670 1.00 0.23 H new ATOM 0 HB2 PHE A 22 -5.065 -2.698 -5.990 1.00 0.21 H new ATOM 0 HB3 PHE A 22 -3.938 -1.373 -6.200 1.00 0.21 H new ATOM 0 HD1 PHE A 22 -7.029 -2.934 -7.409 1.00 0.20 H new ATOM 0 HD2 PHE A 22 -4.183 0.220 -8.094 1.00 0.29 H new ATOM 0 HE1 PHE A 22 -8.590 -1.872 -9.016 1.00 0.24 H new ATOM 0 HE2 PHE A 22 -5.767 1.309 -9.668 1.00 0.33 H new ATOM 0 HZ PHE A 22 -7.980 0.267 -10.120 1.00 0.29 H new ATOM 377 N ARG A 23 -3.641 -5.514 -7.538 1.00 0.21 N ATOM 378 CA ARG A 23 -4.104 -6.808 -8.023 1.00 0.24 C ATOM 379 C ARG A 23 -4.076 -7.772 -6.850 1.00 0.23 C ATOM 380 O ARG A 23 -3.741 -7.381 -5.737 1.00 0.21 O ATOM 381 CB ARG A 23 -3.237 -7.296 -9.195 1.00 0.38 C ATOM 382 CG ARG A 23 -3.190 -6.235 -10.294 1.00 1.19 C ATOM 383 CD ARG A 23 -2.481 -6.702 -11.562 1.00 2.17 C ATOM 384 NE ARG A 23 -3.355 -7.468 -12.460 1.00 2.18 N ATOM 385 CZ ARG A 23 -2.996 -7.761 -13.716 1.00 2.99 C ATOM 386 NH1 ARG A 23 -3.831 -8.365 -14.558 1.00 3.66 N ATOM 387 NH2 ARG A 23 -1.778 -7.438 -14.138 1.00 4.02 N ATOM 0 H ARG A 23 -2.878 -5.578 -6.865 1.00 0.21 H new ATOM 0 HA ARG A 23 -5.120 -6.735 -8.410 1.00 0.24 H new ATOM 0 HB2 ARG A 23 -2.228 -7.512 -8.845 1.00 0.38 H new ATOM 0 HB3 ARG A 23 -3.642 -8.226 -9.594 1.00 0.38 H new ATOM 0 HG2 ARG A 23 -4.208 -5.938 -10.545 1.00 1.19 H new ATOM 0 HG3 ARG A 23 -2.685 -5.348 -9.911 1.00 1.19 H new ATOM 0 HD2 ARG A 23 -2.093 -5.834 -12.095 1.00 2.17 H new ATOM 0 HD3 ARG A 23 -1.624 -7.317 -11.287 1.00 2.17 H new ATOM 0 HE ARG A 23 -4.261 -7.786 -12.117 1.00 2.18 H new ATOM 0 HH11 ARG A 23 -4.771 -8.616 -14.252 1.00 3.66 H new ATOM 0 HH12 ARG A 23 -3.531 -8.576 -15.510 1.00 3.66 H new ATOM 0 HH21 ARG A 23 -1.127 -6.971 -13.507 1.00 4.02 H new ATOM 0 HH22 ARG A 23 -1.494 -7.657 -15.093 1.00 4.02 H new ATOM 401 N ASN A 24 -4.468 -9.028 -7.069 1.00 0.26 N ATOM 402 CA ASN A 24 -4.673 -9.969 -5.972 1.00 0.24 C ATOM 403 C ASN A 24 -5.576 -9.355 -4.896 1.00 0.22 C ATOM 404 O ASN A 24 -5.410 -9.671 -3.729 1.00 0.25 O ATOM 405 CB ASN A 24 -3.308 -10.394 -5.390 1.00 0.28 C ATOM 406 CG ASN A 24 -3.338 -11.752 -4.703 1.00 0.44 C ATOM 407 OD1 ASN A 24 -3.204 -11.898 -3.489 1.00 2.14 O ATOM 408 ND2 ASN A 24 -3.485 -12.806 -5.491 1.00 1.83 N ATOM 0 H ASN A 24 -4.649 -9.415 -7.995 1.00 0.26 H new ATOM 0 HA ASN A 24 -5.177 -10.859 -6.350 1.00 0.24 H new ATOM 0 HB2 ASN A 24 -2.571 -10.418 -6.193 1.00 0.28 H new ATOM 0 HB3 ASN A 24 -2.976 -9.641 -4.675 1.00 0.28 H new ATOM 0 HD21 ASN A 24 -3.488 -13.745 -5.092 1.00 1.83 H new ATOM 0 HD22 ASN A 24 -3.596 -12.679 -6.497 1.00 1.83 H new ATOM 415 N ILE A 25 -6.515 -8.472 -5.265 1.00 0.21 N ATOM 416 CA ILE A 25 -7.481 -7.923 -4.322 1.00 0.22 C ATOM 417 C ILE A 25 -8.301 -9.111 -3.824 1.00 0.22 C ATOM 418 O ILE A 25 -8.954 -9.782 -4.626 1.00 0.24 O ATOM 419 CB ILE A 25 -8.327 -6.811 -5.003 1.00 0.23 C ATOM 420 CG1 ILE A 25 -7.824 -5.411 -4.586 1.00 0.24 C ATOM 421 CG2 ILE A 25 -9.829 -6.898 -4.698 1.00 0.31 C ATOM 422 CD1 ILE A 25 -8.544 -4.256 -5.279 1.00 0.28 C ATOM 0 H ILE A 25 -6.620 -8.125 -6.218 1.00 0.21 H new ATOM 0 HA ILE A 25 -7.012 -7.430 -3.471 1.00 0.22 H new ATOM 0 HB ILE A 25 -8.199 -6.969 -6.074 1.00 0.23 H new ATOM 0 HG12 ILE A 25 -7.940 -5.302 -3.508 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -6.758 -5.341 -4.801 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -10.351 -6.089 -5.208 1.00 0.31 H new ATOM 0 HG22 ILE A 25 -10.216 -7.856 -5.046 1.00 0.31 H new ATOM 0 HG23 ILE A 25 -9.988 -6.811 -3.623 1.00 0.31 H new ATOM 0 HD11 ILE A 25 -8.132 -3.309 -4.931 1.00 0.28 H new ATOM 0 HD12 ILE A 25 -8.407 -4.337 -6.357 1.00 0.28 H new ATOM 0 HD13 ILE A 25 -9.608 -4.297 -5.044 1.00 0.28 H new ATOM 434 N GLN A 26 -8.257 -9.388 -2.520 1.00 0.24 N ATOM 435 CA GLN A 26 -9.060 -10.417 -1.885 1.00 0.26 C ATOM 436 C GLN A 26 -9.634 -9.832 -0.603 1.00 0.27 C ATOM 437 O GLN A 26 -9.119 -8.850 -0.061 1.00 0.29 O ATOM 438 CB GLN A 26 -8.285 -11.702 -1.592 1.00 0.30 C ATOM 439 CG GLN A 26 -7.264 -11.988 -2.685 1.00 0.29 C ATOM 440 CD GLN A 26 -6.869 -13.447 -2.762 1.00 0.44 C ATOM 441 OE1 GLN A 26 -7.650 -14.356 -2.519 1.00 1.22 O ATOM 442 NE2 GLN A 26 -5.636 -13.702 -3.156 1.00 1.17 N ATOM 0 H GLN A 26 -7.649 -8.891 -1.869 1.00 0.24 H new ATOM 0 HA GLN A 26 -9.851 -10.710 -2.576 1.00 0.26 H new ATOM 0 HB2 GLN A 26 -7.778 -11.614 -0.631 1.00 0.30 H new ATOM 0 HB3 GLN A 26 -8.979 -12.538 -1.511 1.00 0.30 H new ATOM 0 HG2 GLN A 26 -7.673 -11.677 -3.646 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -6.373 -11.385 -2.508 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -4.995 -12.934 -3.355 1.00 1.17 H new ATOM 0 HE22 GLN A 26 -5.324 -14.667 -3.261 1.00 1.17 H new ATOM 451 N VAL A 27 -10.700 -10.448 -0.112 1.00 0.30 N ATOM 452 CA VAL A 27 -11.405 -10.015 1.075 1.00 0.32 C ATOM 453 C VAL A 27 -11.804 -11.310 1.778 1.00 0.46 C ATOM 454 O VAL A 27 -12.145 -12.274 1.094 1.00 0.59 O ATOM 455 CB VAL A 27 -12.560 -9.105 0.610 1.00 0.30 C ATOM 456 CG1 VAL A 27 -13.774 -9.867 0.069 1.00 0.50 C ATOM 457 CG2 VAL A 27 -12.998 -8.146 1.707 1.00 0.36 C ATOM 0 H VAL A 27 -11.104 -11.281 -0.541 1.00 0.30 H new ATOM 0 HA VAL A 27 -10.841 -9.414 1.788 1.00 0.32 H new ATOM 0 HB VAL A 27 -12.148 -8.536 -0.223 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -14.542 -9.157 -0.237 1.00 0.50 H new ATOM 0 HG12 VAL A 27 -13.473 -10.469 -0.789 1.00 0.50 H new ATOM 0 HG13 VAL A 27 -14.171 -10.518 0.848 1.00 0.50 H new ATOM 0 HG21 VAL A 27 -13.813 -7.522 1.341 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -13.337 -8.714 2.573 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -12.158 -7.514 1.994 1.00 0.36 H new ATOM 467 N ASP A 28 -11.657 -11.405 3.100 1.00 0.47 N ATOM 468 CA ASP A 28 -12.049 -12.641 3.777 1.00 0.58 C ATOM 469 C ASP A 28 -13.573 -12.691 3.887 1.00 0.57 C ATOM 470 O ASP A 28 -14.223 -11.655 3.810 1.00 0.54 O ATOM 471 CB ASP A 28 -11.390 -12.735 5.151 1.00 0.62 C ATOM 472 CG ASP A 28 -11.694 -14.096 5.765 1.00 0.70 C ATOM 473 OD1 ASP A 28 -12.567 -14.147 6.660 1.00 1.12 O ATOM 474 OD2 ASP A 28 -11.111 -15.082 5.271 1.00 1.44 O ATOM 0 H ASP A 28 -11.284 -10.672 3.704 1.00 0.47 H new ATOM 0 HA ASP A 28 -11.710 -13.498 3.196 1.00 0.58 H new ATOM 0 HB2 ASP A 28 -10.313 -12.597 5.060 1.00 0.62 H new ATOM 0 HB3 ASP A 28 -11.760 -11.940 5.799 1.00 0.62 H new ATOM 479 N GLU A 29 -14.164 -13.872 4.062 1.00 0.69 N ATOM 480 CA GLU A 29 -15.616 -13.981 4.146 1.00 0.74 C ATOM 481 C GLU A 29 -16.101 -13.450 5.494 1.00 0.66 C ATOM 482 O GLU A 29 -17.072 -12.699 5.568 1.00 0.70 O ATOM 483 CB GLU A 29 -16.043 -15.445 3.967 1.00 0.96 C ATOM 484 CG GLU A 29 -15.771 -15.983 2.556 1.00 2.06 C ATOM 485 CD GLU A 29 -16.749 -15.417 1.522 1.00 2.99 C ATOM 486 OE1 GLU A 29 -16.638 -14.209 1.220 1.00 4.19 O ATOM 487 OE2 GLU A 29 -17.601 -16.202 1.050 1.00 3.47 O ATOM 0 H GLU A 29 -13.664 -14.757 4.147 1.00 0.69 H new ATOM 0 HA GLU A 29 -16.065 -13.385 3.351 1.00 0.74 H new ATOM 0 HB2 GLU A 29 -15.514 -16.063 4.693 1.00 0.96 H new ATOM 0 HB3 GLU A 29 -17.107 -15.536 4.185 1.00 0.96 H new ATOM 0 HG2 GLU A 29 -14.751 -15.733 2.264 1.00 2.06 H new ATOM 0 HG3 GLU A 29 -15.842 -17.071 2.564 1.00 2.06 H new ATOM 494 N ALA A 30 -15.441 -13.864 6.577 1.00 0.62 N ATOM 495 CA ALA A 30 -15.798 -13.434 7.918 1.00 0.58 C ATOM 496 C ALA A 30 -15.188 -12.060 8.165 1.00 0.43 C ATOM 497 O ALA A 30 -15.888 -11.080 8.416 1.00 0.47 O ATOM 498 CB ALA A 30 -15.290 -14.460 8.935 1.00 0.65 C ATOM 0 H ALA A 30 -14.648 -14.504 6.543 1.00 0.62 H new ATOM 0 HA ALA A 30 -16.880 -13.363 8.025 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -15.558 -14.138 9.941 1.00 0.65 H new ATOM 0 HB2 ALA A 30 -15.744 -15.430 8.732 1.00 0.65 H new ATOM 0 HB3 ALA A 30 -14.206 -14.544 8.857 1.00 0.65 H new ATOM 504 N ASN A 31 -13.865 -11.976 8.069 1.00 0.37 N ATOM 505 CA ASN A 31 -13.127 -10.742 8.273 1.00 0.29 C ATOM 506 C ASN A 31 -13.119 -9.940 6.972 1.00 0.24 C ATOM 507 O ASN A 31 -12.059 -9.490 6.548 1.00 0.29 O ATOM 508 CB ASN A 31 -11.689 -11.055 8.732 1.00 0.40 C ATOM 509 CG ASN A 31 -11.608 -11.536 10.173 1.00 1.59 C ATOM 510 OD1 ASN A 31 -12.612 -11.798 10.822 1.00 2.89 O ATOM 511 ND2 ASN A 31 -10.399 -11.629 10.712 1.00 2.03 N ATOM 0 H ASN A 31 -13.271 -12.775 7.845 1.00 0.37 H new ATOM 0 HA ASN A 31 -13.609 -10.150 9.051 1.00 0.29 H new ATOM 0 HB2 ASN A 31 -11.264 -11.816 8.078 1.00 0.40 H new ATOM 0 HB3 ASN A 31 -11.077 -10.160 8.620 1.00 0.40 H new ATOM 0 HD21 ASN A 31 -10.295 -11.923 11.683 1.00 2.03 H new ATOM 0 HD22 ASN A 31 -9.574 -11.406 10.155 1.00 2.03 H new ATOM 518 N LEU A 32 -14.274 -9.713 6.336 1.00 0.21 N ATOM 519 CA LEU A 32 -14.319 -8.984 5.065 1.00 0.24 C ATOM 520 C LEU A 32 -13.935 -7.512 5.252 1.00 0.23 C ATOM 521 O LEU A 32 -13.504 -6.826 4.333 1.00 0.27 O ATOM 522 CB LEU A 32 -15.672 -9.213 4.352 1.00 0.35 C ATOM 523 CG LEU A 32 -16.739 -8.109 4.440 1.00 0.35 C ATOM 524 CD1 LEU A 32 -16.599 -7.067 3.320 1.00 0.51 C ATOM 525 CD2 LEU A 32 -18.117 -8.759 4.281 1.00 0.44 C ATOM 0 H LEU A 32 -15.184 -10.022 6.678 1.00 0.21 H new ATOM 0 HA LEU A 32 -13.562 -9.386 4.392 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.465 -9.392 3.297 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -16.108 -10.129 4.752 1.00 0.35 H new ATOM 0 HG LEU A 32 -16.615 -7.609 5.400 1.00 0.35 H new ATOM 0 HD11 LEU A 32 -17.376 -6.310 3.428 1.00 0.51 H new ATOM 0 HD12 LEU A 32 -15.619 -6.593 3.384 1.00 0.51 H new ATOM 0 HD13 LEU A 32 -16.702 -7.557 2.352 1.00 0.51 H new ATOM 0 HD21 LEU A 32 -18.890 -7.993 4.340 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -18.174 -9.258 3.314 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -18.269 -9.489 5.076 1.00 0.44 H new ATOM 537 N LEU A 33 -14.053 -7.026 6.485 1.00 0.22 N ATOM 538 CA LEU A 33 -13.549 -5.731 6.915 1.00 0.25 C ATOM 539 C LEU A 33 -12.045 -5.582 6.652 1.00 0.30 C ATOM 540 O LEU A 33 -11.545 -4.476 6.456 1.00 0.64 O ATOM 541 CB LEU A 33 -13.883 -5.593 8.407 1.00 0.27 C ATOM 542 CG LEU A 33 -15.389 -5.389 8.618 1.00 0.36 C ATOM 543 CD1 LEU A 33 -15.725 -5.407 10.101 1.00 0.43 C ATOM 544 CD2 LEU A 33 -15.876 -4.056 8.048 1.00 0.46 C ATOM 0 H LEU A 33 -14.517 -7.541 7.233 1.00 0.22 H new ATOM 0 HA LEU A 33 -14.021 -4.933 6.342 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -13.555 -6.485 8.940 1.00 0.27 H new ATOM 0 HB3 LEU A 33 -13.336 -4.750 8.829 1.00 0.27 H new ATOM 0 HG LEU A 33 -15.886 -6.206 8.095 1.00 0.36 H new ATOM 0 HD11 LEU A 33 -16.797 -5.261 10.233 1.00 0.43 H new ATOM 0 HD12 LEU A 33 -15.434 -6.367 10.528 1.00 0.43 H new ATOM 0 HD13 LEU A 33 -15.185 -4.606 10.606 1.00 0.43 H new ATOM 0 HD21 LEU A 33 -16.948 -3.956 8.221 1.00 0.46 H new ATOM 0 HD22 LEU A 33 -15.351 -3.237 8.539 1.00 0.46 H new ATOM 0 HD23 LEU A 33 -15.677 -4.024 6.977 1.00 0.46 H new ATOM 556 N THR A 34 -11.302 -6.684 6.649 1.00 0.24 N ATOM 557 CA THR A 34 -9.885 -6.669 6.352 1.00 0.23 C ATOM 558 C THR A 34 -9.660 -7.103 4.909 1.00 0.22 C ATOM 559 O THR A 34 -10.321 -7.997 4.385 1.00 0.25 O ATOM 560 CB THR A 34 -9.143 -7.566 7.342 1.00 0.26 C ATOM 561 OG1 THR A 34 -9.458 -7.142 8.652 1.00 0.35 O ATOM 562 CG2 THR A 34 -7.632 -7.439 7.166 1.00 0.27 C ATOM 0 H THR A 34 -11.672 -7.612 6.854 1.00 0.24 H new ATOM 0 HA THR A 34 -9.490 -5.659 6.460 1.00 0.23 H new ATOM 0 HB THR A 34 -9.443 -8.599 7.167 1.00 0.26 H new ATOM 0 HG1 THR A 34 -8.991 -7.709 9.301 1.00 0.35 H new ATOM 0 HG21 THR A 34 -7.127 -8.087 7.882 1.00 0.27 H new ATOM 0 HG22 THR A 34 -7.358 -7.734 6.153 1.00 0.27 H new ATOM 0 HG23 THR A 34 -7.331 -6.405 7.337 1.00 0.27 H new ATOM 570 N TRP A 35 -8.707 -6.432 4.275 1.00 0.19 N ATOM 571 CA TRP A 35 -8.390 -6.588 2.871 1.00 0.16 C ATOM 572 C TRP A 35 -6.971 -7.114 2.777 1.00 0.15 C ATOM 573 O TRP A 35 -6.120 -6.765 3.596 1.00 0.16 O ATOM 574 CB TRP A 35 -8.429 -5.237 2.165 1.00 0.16 C ATOM 575 CG TRP A 35 -9.725 -4.491 2.124 1.00 0.17 C ATOM 576 CD1 TRP A 35 -10.600 -4.317 3.139 1.00 0.22 C ATOM 577 CD2 TRP A 35 -10.270 -3.743 1.001 1.00 0.20 C ATOM 578 NE1 TRP A 35 -11.674 -3.576 2.706 1.00 0.27 N ATOM 579 CE2 TRP A 35 -11.525 -3.189 1.389 1.00 0.26 C ATOM 580 CE3 TRP A 35 -9.805 -3.460 -0.300 1.00 0.24 C ATOM 581 CZ2 TRP A 35 -12.289 -2.406 0.511 1.00 0.32 C ATOM 582 CZ3 TRP A 35 -10.566 -2.681 -1.188 1.00 0.30 C ATOM 583 CH2 TRP A 35 -11.805 -2.159 -0.784 1.00 0.33 C ATOM 0 H TRP A 35 -8.118 -5.744 4.743 1.00 0.19 H new ATOM 0 HA TRP A 35 -9.110 -7.262 2.408 1.00 0.16 H new ATOM 0 HB2 TRP A 35 -7.690 -4.592 2.641 1.00 0.16 H new ATOM 0 HB3 TRP A 35 -8.102 -5.391 1.137 1.00 0.16 H new ATOM 0 HD1 TRP A 35 -10.474 -4.702 4.140 1.00 0.22 H new ATOM 0 HE1 TRP A 35 -12.480 -3.341 3.285 1.00 0.27 H new ATOM 0 HE3 TRP A 35 -8.849 -3.848 -0.619 1.00 0.24 H new ATOM 0 HZ2 TRP A 35 -13.238 -1.998 0.827 1.00 0.32 H new ATOM 0 HZ3 TRP A 35 -10.197 -2.483 -2.184 1.00 0.30 H new ATOM 0 HH2 TRP A 35 -12.388 -1.565 -1.472 1.00 0.33 H new ATOM 594 N GLN A 36 -6.696 -7.904 1.749 1.00 0.16 N ATOM 595 CA GLN A 36 -5.400 -8.519 1.558 1.00 0.23 C ATOM 596 C GLN A 36 -5.164 -8.582 0.060 1.00 0.29 C ATOM 597 O GLN A 36 -6.074 -8.932 -0.685 1.00 0.40 O ATOM 598 CB GLN A 36 -5.390 -9.913 2.209 1.00 0.31 C ATOM 599 CG GLN A 36 -6.751 -10.620 2.078 1.00 0.47 C ATOM 600 CD GLN A 36 -6.701 -12.108 2.411 1.00 0.73 C ATOM 601 OE1 GLN A 36 -5.647 -12.733 2.390 1.00 1.24 O ATOM 602 NE2 GLN A 36 -7.849 -12.706 2.708 1.00 1.34 N ATOM 0 H GLN A 36 -7.373 -8.135 1.022 1.00 0.16 H new ATOM 0 HA GLN A 36 -4.600 -7.949 2.029 1.00 0.23 H new ATOM 0 HB2 GLN A 36 -4.617 -10.525 1.744 1.00 0.31 H new ATOM 0 HB3 GLN A 36 -5.130 -9.819 3.263 1.00 0.31 H new ATOM 0 HG2 GLN A 36 -7.469 -10.133 2.737 1.00 0.47 H new ATOM 0 HG3 GLN A 36 -7.119 -10.496 1.059 1.00 0.47 H new ATOM 0 HE21 GLN A 36 -8.716 -12.168 2.720 1.00 1.34 H new ATOM 0 HE22 GLN A 36 -7.864 -13.703 2.924 1.00 1.34 H new ATOM 611 N GLY A 37 -3.970 -8.218 -0.396 1.00 0.26 N ATOM 612 CA GLY A 37 -3.667 -8.313 -1.812 1.00 0.24 C ATOM 613 C GLY A 37 -2.268 -7.808 -2.086 1.00 0.21 C ATOM 614 O GLY A 37 -1.424 -7.825 -1.194 1.00 0.32 O ATOM 0 H GLY A 37 -3.211 -7.861 0.185 1.00 0.26 H new ATOM 0 HA2 GLY A 37 -3.758 -9.348 -2.141 1.00 0.24 H new ATOM 0 HA3 GLY A 37 -4.389 -7.731 -2.385 1.00 0.24 H new ATOM 618 N LEU A 38 -1.996 -7.361 -3.309 1.00 0.17 N ATOM 619 CA LEU A 38 -0.705 -6.793 -3.643 1.00 0.18 C ATOM 620 C LEU A 38 -0.902 -5.543 -4.476 1.00 0.18 C ATOM 621 O LEU A 38 -1.969 -5.302 -5.039 1.00 0.25 O ATOM 622 CB LEU A 38 0.219 -7.836 -4.305 1.00 0.20 C ATOM 623 CG LEU A 38 -0.203 -8.374 -5.687 1.00 0.23 C ATOM 624 CD1 LEU A 38 0.074 -7.409 -6.843 1.00 0.27 C ATOM 625 CD2 LEU A 38 0.582 -9.654 -5.992 1.00 0.28 C ATOM 0 H LEU A 38 -2.659 -7.384 -4.084 1.00 0.17 H new ATOM 0 HA LEU A 38 -0.190 -6.496 -2.729 1.00 0.18 H new ATOM 0 HB2 LEU A 38 1.211 -7.395 -4.403 1.00 0.20 H new ATOM 0 HB3 LEU A 38 0.312 -8.684 -3.626 1.00 0.20 H new ATOM 0 HG LEU A 38 -1.279 -8.534 -5.623 1.00 0.23 H new ATOM 0 HD11 LEU A 38 -0.251 -7.861 -7.780 1.00 0.27 H new ATOM 0 HD12 LEU A 38 -0.472 -6.480 -6.680 1.00 0.27 H new ATOM 0 HD13 LEU A 38 1.142 -7.198 -6.893 1.00 0.27 H new ATOM 0 HD21 LEU A 38 0.287 -10.038 -6.968 1.00 0.28 H new ATOM 0 HD22 LEU A 38 1.650 -9.434 -5.996 1.00 0.28 H new ATOM 0 HD23 LEU A 38 0.369 -10.402 -5.228 1.00 0.28 H new ATOM 637 N ILE A 39 0.157 -4.758 -4.576 1.00 0.16 N ATOM 638 CA ILE A 39 0.203 -3.601 -5.430 1.00 0.15 C ATOM 639 C ILE A 39 1.412 -3.812 -6.327 1.00 0.17 C ATOM 640 O ILE A 39 2.515 -4.079 -5.845 1.00 0.23 O ATOM 641 CB ILE A 39 0.181 -2.300 -4.601 1.00 0.16 C ATOM 642 CG1 ILE A 39 1.193 -2.321 -3.438 1.00 0.16 C ATOM 643 CG2 ILE A 39 -1.241 -2.106 -4.050 1.00 0.16 C ATOM 644 CD1 ILE A 39 1.126 -1.074 -2.556 1.00 0.16 C ATOM 0 H ILE A 39 1.019 -4.916 -4.054 1.00 0.16 H new ATOM 0 HA ILE A 39 -0.676 -3.484 -6.064 1.00 0.15 H new ATOM 0 HB ILE A 39 0.469 -1.474 -5.251 1.00 0.16 H new ATOM 0 HG12 ILE A 39 1.011 -3.203 -2.823 1.00 0.16 H new ATOM 0 HG13 ILE A 39 2.200 -2.417 -3.844 1.00 0.16 H new ATOM 0 HG21 ILE A 39 -1.281 -1.191 -3.459 1.00 0.16 H new ATOM 0 HG22 ILE A 39 -1.946 -2.034 -4.879 1.00 0.16 H new ATOM 0 HG23 ILE A 39 -1.506 -2.956 -3.421 1.00 0.16 H new ATOM 0 HD11 ILE A 39 1.864 -1.153 -1.757 1.00 0.16 H new ATOM 0 HD12 ILE A 39 1.337 -0.190 -3.158 1.00 0.16 H new ATOM 0 HD13 ILE A 39 0.130 -0.988 -2.122 1.00 0.16 H new ATOM 656 N VAL A 40 1.164 -3.820 -7.637 1.00 0.22 N ATOM 657 CA VAL A 40 2.172 -3.959 -8.666 1.00 0.24 C ATOM 658 C VAL A 40 2.690 -2.546 -8.926 1.00 0.30 C ATOM 659 O VAL A 40 1.921 -1.689 -9.363 1.00 0.41 O ATOM 660 CB VAL A 40 1.553 -4.563 -9.940 1.00 0.22 C ATOM 661 CG1 VAL A 40 2.643 -4.918 -10.952 1.00 0.24 C ATOM 662 CG2 VAL A 40 0.787 -5.856 -9.642 1.00 0.29 C ATOM 0 H VAL A 40 0.221 -3.726 -8.014 1.00 0.22 H new ATOM 0 HA VAL A 40 2.978 -4.627 -8.362 1.00 0.24 H new ATOM 0 HB VAL A 40 0.874 -3.808 -10.337 1.00 0.22 H new ATOM 0 HG11 VAL A 40 2.186 -5.343 -11.845 1.00 0.24 H new ATOM 0 HG12 VAL A 40 3.197 -4.018 -11.221 1.00 0.24 H new ATOM 0 HG13 VAL A 40 3.325 -5.646 -10.512 1.00 0.24 H new ATOM 0 HG21 VAL A 40 0.366 -6.251 -10.567 1.00 0.29 H new ATOM 0 HG22 VAL A 40 1.467 -6.591 -9.211 1.00 0.29 H new ATOM 0 HG23 VAL A 40 -0.017 -5.648 -8.936 1.00 0.29 H new ATOM 672 N PRO A 41 3.953 -2.254 -8.611 1.00 0.41 N ATOM 673 CA PRO A 41 4.529 -0.973 -8.953 1.00 0.49 C ATOM 674 C PRO A 41 4.792 -0.868 -10.460 1.00 0.38 C ATOM 675 O PRO A 41 4.630 -1.842 -11.187 1.00 0.39 O ATOM 676 CB PRO A 41 5.828 -0.891 -8.161 1.00 0.73 C ATOM 677 CG PRO A 41 6.122 -2.292 -7.618 1.00 0.65 C ATOM 678 CD PRO A 41 4.902 -3.140 -7.965 1.00 0.56 C ATOM 0 HA PRO A 41 3.856 -0.151 -8.709 1.00 0.49 H new ATOM 0 HB2 PRO A 41 6.644 -0.547 -8.796 1.00 0.73 H new ATOM 0 HB3 PRO A 41 5.735 -0.175 -7.345 1.00 0.73 H new ATOM 0 HG2 PRO A 41 7.025 -2.704 -8.069 1.00 0.65 H new ATOM 0 HG3 PRO A 41 6.286 -2.267 -6.541 1.00 0.65 H new ATOM 0 HD2 PRO A 41 5.177 -3.962 -8.626 1.00 0.56 H new ATOM 0 HD3 PRO A 41 4.470 -3.583 -7.068 1.00 0.56 H new ATOM 686 N ASP A 42 5.257 0.303 -10.900 1.00 0.42 N ATOM 687 CA ASP A 42 5.746 0.548 -12.255 1.00 0.44 C ATOM 688 C ASP A 42 7.152 1.141 -12.172 1.00 0.41 C ATOM 689 O ASP A 42 8.085 0.616 -12.769 1.00 0.41 O ATOM 690 CB ASP A 42 4.816 1.498 -13.022 1.00 0.58 C ATOM 691 CG ASP A 42 3.659 0.759 -13.683 1.00 0.88 C ATOM 692 OD1 ASP A 42 3.937 -0.002 -14.635 1.00 1.56 O ATOM 693 OD2 ASP A 42 2.510 0.989 -13.245 1.00 1.40 O ATOM 0 H ASP A 42 5.304 1.130 -10.305 1.00 0.42 H new ATOM 0 HA ASP A 42 5.769 -0.397 -12.798 1.00 0.44 H new ATOM 0 HB2 ASP A 42 4.422 2.249 -12.338 1.00 0.58 H new ATOM 0 HB3 ASP A 42 5.388 2.029 -13.783 1.00 0.58 H new ATOM 698 N ASN A 43 7.298 2.244 -11.429 1.00 0.43 N ATOM 699 CA ASN A 43 8.564 2.941 -11.221 1.00 0.41 C ATOM 700 C ASN A 43 9.645 2.007 -10.669 1.00 0.40 C ATOM 701 O ASN A 43 10.672 1.823 -11.319 1.00 0.43 O ATOM 702 CB ASN A 43 8.375 4.191 -10.336 1.00 0.43 C ATOM 703 CG ASN A 43 8.498 5.468 -11.148 1.00 0.56 C ATOM 704 OD1 ASN A 43 9.589 5.993 -11.330 1.00 0.62 O ATOM 705 ND2 ASN A 43 7.392 5.977 -11.674 1.00 0.77 N ATOM 0 H ASN A 43 6.516 2.685 -10.945 1.00 0.43 H new ATOM 0 HA ASN A 43 8.913 3.282 -12.195 1.00 0.41 H new ATOM 0 HB2 ASN A 43 7.396 4.155 -9.857 1.00 0.43 H new ATOM 0 HB3 ASN A 43 9.119 4.191 -9.540 1.00 0.43 H new ATOM 0 HD21 ASN A 43 7.440 6.822 -12.243 1.00 0.77 H new ATOM 0 HD22 ASN A 43 6.493 5.523 -11.510 1.00 0.77 H new ATOM 712 N PRO A 44 9.493 1.448 -9.458 1.00 0.38 N ATOM 713 CA PRO A 44 10.493 0.544 -8.923 1.00 0.38 C ATOM 714 C PRO A 44 10.359 -0.839 -9.572 1.00 0.31 C ATOM 715 O PRO A 44 9.333 -1.135 -10.176 1.00 0.33 O ATOM 716 CB PRO A 44 10.219 0.540 -7.424 1.00 0.38 C ATOM 717 CG PRO A 44 8.710 0.680 -7.352 1.00 0.31 C ATOM 718 CD PRO A 44 8.426 1.664 -8.492 1.00 0.35 C ATOM 0 HA PRO A 44 11.520 0.846 -9.129 1.00 0.38 H new ATOM 0 HB2 PRO A 44 10.562 -0.382 -6.954 1.00 0.38 H new ATOM 0 HB3 PRO A 44 10.725 1.363 -6.919 1.00 0.38 H new ATOM 0 HG2 PRO A 44 8.204 -0.274 -7.501 1.00 0.31 H new ATOM 0 HG3 PRO A 44 8.382 1.067 -6.387 1.00 0.31 H new ATOM 0 HD2 PRO A 44 7.448 1.479 -8.937 1.00 0.35 H new ATOM 0 HD3 PRO A 44 8.423 2.693 -8.132 1.00 0.35 H new ATOM 726 N PRO A 45 11.393 -1.686 -9.442 1.00 0.30 N ATOM 727 CA PRO A 45 11.585 -2.917 -10.208 1.00 0.31 C ATOM 728 C PRO A 45 10.526 -4.004 -9.958 1.00 0.38 C ATOM 729 O PRO A 45 10.792 -5.023 -9.321 1.00 0.70 O ATOM 730 CB PRO A 45 13.007 -3.381 -9.897 1.00 0.34 C ATOM 731 CG PRO A 45 13.308 -2.717 -8.566 1.00 0.32 C ATOM 732 CD PRO A 45 12.599 -1.382 -8.701 1.00 0.32 C ATOM 0 HA PRO A 45 11.452 -2.715 -11.271 1.00 0.31 H new ATOM 0 HB2 PRO A 45 13.070 -4.467 -9.828 1.00 0.34 H new ATOM 0 HB3 PRO A 45 13.710 -3.070 -10.670 1.00 0.34 H new ATOM 0 HG2 PRO A 45 12.925 -3.297 -7.727 1.00 0.32 H new ATOM 0 HG3 PRO A 45 14.379 -2.594 -8.406 1.00 0.32 H new ATOM 0 HD2 PRO A 45 12.368 -0.955 -7.725 1.00 0.32 H new ATOM 0 HD3 PRO A 45 13.217 -0.656 -9.229 1.00 0.32 H new ATOM 740 N TYR A 46 9.337 -3.832 -10.535 1.00 0.27 N ATOM 741 CA TYR A 46 8.231 -4.772 -10.423 1.00 0.33 C ATOM 742 C TYR A 46 8.450 -6.018 -11.282 1.00 0.38 C ATOM 743 O TYR A 46 7.718 -6.996 -11.164 1.00 0.73 O ATOM 744 CB TYR A 46 6.929 -4.082 -10.837 1.00 0.39 C ATOM 745 CG TYR A 46 6.838 -3.787 -12.319 1.00 0.43 C ATOM 746 CD1 TYR A 46 6.260 -4.736 -13.180 1.00 1.61 C ATOM 747 CD2 TYR A 46 7.352 -2.585 -12.836 1.00 1.52 C ATOM 748 CE1 TYR A 46 6.195 -4.489 -14.562 1.00 1.74 C ATOM 749 CE2 TYR A 46 7.280 -2.324 -14.214 1.00 1.68 C ATOM 750 CZ TYR A 46 6.698 -3.277 -15.083 1.00 1.05 C ATOM 751 OH TYR A 46 6.619 -3.040 -16.421 1.00 1.40 O ATOM 0 H TYR A 46 9.115 -3.016 -11.105 1.00 0.27 H new ATOM 0 HA TYR A 46 8.171 -5.094 -9.383 1.00 0.33 H new ATOM 0 HB2 TYR A 46 6.087 -4.712 -10.549 1.00 0.39 H new ATOM 0 HB3 TYR A 46 6.832 -3.148 -10.284 1.00 0.39 H new ATOM 0 HD1 TYR A 46 5.865 -5.657 -12.778 1.00 1.61 H new ATOM 0 HD2 TYR A 46 7.803 -1.862 -12.173 1.00 1.52 H new ATOM 0 HE1 TYR A 46 5.761 -5.224 -15.224 1.00 1.74 H new ATOM 0 HE2 TYR A 46 7.668 -1.397 -14.610 1.00 1.68 H new ATOM 0 HH TYR A 46 7.007 -2.163 -16.621 1.00 1.40 H new ATOM 761 N ASP A 47 9.448 -6.015 -12.165 1.00 0.33 N ATOM 762 CA ASP A 47 9.743 -7.202 -12.961 1.00 0.37 C ATOM 763 C ASP A 47 10.128 -8.365 -12.047 1.00 0.38 C ATOM 764 O ASP A 47 9.822 -9.523 -12.317 1.00 0.56 O ATOM 765 CB ASP A 47 10.845 -6.897 -13.976 1.00 0.39 C ATOM 766 CG ASP A 47 10.833 -7.943 -15.087 1.00 1.88 C ATOM 767 OD1 ASP A 47 11.883 -8.595 -15.273 1.00 3.25 O ATOM 768 OD2 ASP A 47 9.769 -8.062 -15.736 1.00 2.70 O ATOM 0 H ASP A 47 10.057 -5.216 -12.345 1.00 0.33 H new ATOM 0 HA ASP A 47 8.851 -7.494 -13.516 1.00 0.37 H new ATOM 0 HB2 ASP A 47 10.697 -5.903 -14.399 1.00 0.39 H new ATOM 0 HB3 ASP A 47 11.816 -6.891 -13.481 1.00 0.39 H new ATOM 773 N LYS A 48 10.772 -8.047 -10.922 1.00 0.28 N ATOM 774 CA LYS A 48 11.160 -9.039 -9.936 1.00 0.34 C ATOM 775 C LYS A 48 9.979 -9.528 -9.097 1.00 0.24 C ATOM 776 O LYS A 48 10.111 -10.571 -8.459 1.00 0.31 O ATOM 777 CB LYS A 48 12.282 -8.459 -9.053 1.00 0.58 C ATOM 778 CG LYS A 48 13.575 -8.200 -9.833 1.00 0.85 C ATOM 779 CD LYS A 48 14.082 -9.507 -10.430 1.00 2.12 C ATOM 780 CE LYS A 48 15.534 -9.339 -10.899 1.00 2.31 C ATOM 781 NZ LYS A 48 16.381 -10.482 -10.497 1.00 3.86 N ATOM 0 H LYS A 48 11.036 -7.093 -10.676 1.00 0.28 H new ATOM 0 HA LYS A 48 11.531 -9.919 -10.462 1.00 0.34 H new ATOM 0 HB2 LYS A 48 11.940 -7.526 -8.605 1.00 0.58 H new ATOM 0 HB3 LYS A 48 12.488 -9.149 -8.235 1.00 0.58 H new ATOM 0 HG2 LYS A 48 13.395 -7.473 -10.625 1.00 0.85 H new ATOM 0 HG3 LYS A 48 14.330 -7.773 -9.173 1.00 0.85 H new ATOM 0 HD2 LYS A 48 14.020 -10.304 -9.689 1.00 2.12 H new ATOM 0 HD3 LYS A 48 13.452 -9.802 -11.269 1.00 2.12 H new ATOM 0 HE2 LYS A 48 15.555 -9.236 -11.984 1.00 2.31 H new ATOM 0 HE3 LYS A 48 15.945 -8.419 -10.483 1.00 2.31 H new ATOM 0 HZ1 LYS A 48 17.353 -10.329 -10.833 1.00 3.86 H new ATOM 0 HZ2 LYS A 48 16.382 -10.565 -9.460 1.00 3.86 H new ATOM 0 HZ3 LYS A 48 16.004 -11.357 -10.914 1.00 3.86 H new ATOM 795 N GLY A 49 8.867 -8.791 -9.014 1.00 0.24 N ATOM 796 CA GLY A 49 7.820 -9.091 -8.048 1.00 0.30 C ATOM 797 C GLY A 49 6.978 -7.855 -7.733 1.00 0.31 C ATOM 798 O GLY A 49 6.864 -6.943 -8.545 1.00 0.43 O ATOM 0 H GLY A 49 8.674 -7.984 -9.607 1.00 0.24 H new ATOM 0 HA2 GLY A 49 7.178 -9.880 -8.439 1.00 0.30 H new ATOM 0 HA3 GLY A 49 8.268 -9.471 -7.130 1.00 0.30 H new ATOM 802 N ALA A 50 6.346 -7.823 -6.563 1.00 0.25 N ATOM 803 CA ALA A 50 5.376 -6.809 -6.182 1.00 0.30 C ATOM 804 C ALA A 50 5.424 -6.621 -4.667 1.00 0.28 C ATOM 805 O ALA A 50 6.254 -7.221 -3.986 1.00 0.34 O ATOM 806 CB ALA A 50 3.982 -7.258 -6.650 1.00 0.36 C ATOM 0 H ALA A 50 6.501 -8.522 -5.836 1.00 0.25 H new ATOM 0 HA ALA A 50 5.606 -5.853 -6.652 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.244 -6.506 -6.370 1.00 0.36 H new ATOM 0 HB2 ALA A 50 3.984 -7.380 -7.733 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.728 -8.208 -6.179 1.00 0.36 H new ATOM 812 N PHE A 51 4.515 -5.813 -4.123 1.00 0.30 N ATOM 813 CA PHE A 51 4.421 -5.578 -2.694 1.00 0.31 C ATOM 814 C PHE A 51 3.101 -6.135 -2.188 1.00 0.27 C ATOM 815 O PHE A 51 2.048 -5.577 -2.479 1.00 0.27 O ATOM 816 CB PHE A 51 4.545 -4.073 -2.432 1.00 0.43 C ATOM 817 CG PHE A 51 5.988 -3.635 -2.351 1.00 0.51 C ATOM 818 CD1 PHE A 51 6.594 -2.888 -3.378 1.00 1.29 C ATOM 819 CD2 PHE A 51 6.756 -4.072 -1.263 1.00 2.10 C ATOM 820 CE1 PHE A 51 7.971 -2.597 -3.320 1.00 1.15 C ATOM 821 CE2 PHE A 51 8.120 -3.775 -1.204 1.00 2.58 C ATOM 822 CZ PHE A 51 8.737 -3.041 -2.228 1.00 1.50 C ATOM 0 H PHE A 51 3.822 -5.303 -4.670 1.00 0.30 H new ATOM 0 HA PHE A 51 5.226 -6.083 -2.159 1.00 0.31 H new ATOM 0 HB2 PHE A 51 4.042 -3.523 -3.227 1.00 0.43 H new ATOM 0 HB3 PHE A 51 4.036 -3.823 -1.501 1.00 0.43 H new ATOM 0 HD1 PHE A 51 6.003 -2.538 -4.211 1.00 1.29 H new ATOM 0 HD2 PHE A 51 6.293 -4.639 -0.469 1.00 2.10 H new ATOM 0 HE1 PHE A 51 8.438 -2.033 -4.114 1.00 1.15 H new ATOM 0 HE2 PHE A 51 8.705 -4.114 -0.362 1.00 2.58 H new ATOM 0 HZ PHE A 51 9.793 -2.819 -2.178 1.00 1.50 H new ATOM 832 N ARG A 52 3.135 -7.236 -1.429 1.00 0.36 N ATOM 833 CA ARG A 52 1.921 -7.694 -0.763 1.00 0.29 C ATOM 834 C ARG A 52 1.669 -6.802 0.439 1.00 0.26 C ATOM 835 O ARG A 52 2.603 -6.568 1.218 1.00 0.32 O ATOM 836 CB ARG A 52 2.015 -9.155 -0.316 1.00 0.32 C ATOM 837 CG ARG A 52 0.614 -9.758 -0.312 1.00 0.60 C ATOM 838 CD ARG A 52 0.632 -11.221 0.114 1.00 0.58 C ATOM 839 NE ARG A 52 -0.482 -11.941 -0.514 1.00 1.72 N ATOM 840 CZ ARG A 52 -0.660 -13.262 -0.463 1.00 2.19 C ATOM 841 NH1 ARG A 52 -1.705 -13.806 -1.088 1.00 3.41 N ATOM 842 NH2 ARG A 52 0.205 -14.021 0.213 1.00 1.95 N ATOM 0 H ARG A 52 3.964 -7.808 -1.266 1.00 0.36 H new ATOM 0 HA ARG A 52 1.097 -7.634 -1.474 1.00 0.29 H new ATOM 0 HB2 ARG A 52 2.665 -9.715 -0.989 1.00 0.32 H new ATOM 0 HB3 ARG A 52 2.456 -9.218 0.679 1.00 0.32 H new ATOM 0 HG2 ARG A 52 -0.025 -9.190 0.364 1.00 0.60 H new ATOM 0 HG3 ARG A 52 0.179 -9.674 -1.308 1.00 0.60 H new ATOM 0 HD2 ARG A 52 1.579 -11.680 -0.171 1.00 0.58 H new ATOM 0 HD3 ARG A 52 0.557 -11.293 1.199 1.00 0.58 H new ATOM 0 HE ARG A 52 -1.171 -11.391 -1.027 1.00 1.72 H new ATOM 0 HH11 ARG A 52 -2.359 -13.213 -1.599 1.00 3.41 H new ATOM 0 HH12 ARG A 52 -1.850 -14.815 -1.055 1.00 3.41 H new ATOM 0 HH21 ARG A 52 0.998 -13.591 0.688 1.00 1.95 H new ATOM 0 HH22 ARG A 52 0.073 -15.032 0.255 1.00 1.95 H new ATOM 856 N ILE A 53 0.427 -6.344 0.605 1.00 0.21 N ATOM 857 CA ILE A 53 0.011 -5.476 1.689 1.00 0.20 C ATOM 858 C ILE A 53 -1.345 -5.937 2.221 1.00 0.18 C ATOM 859 O ILE A 53 -2.085 -6.646 1.536 1.00 0.23 O ATOM 860 CB ILE A 53 0.012 -3.999 1.238 1.00 0.20 C ATOM 861 CG1 ILE A 53 -1.061 -3.623 0.199 1.00 0.18 C ATOM 862 CG2 ILE A 53 1.381 -3.642 0.650 1.00 0.22 C ATOM 863 CD1 ILE A 53 -1.351 -2.119 0.258 1.00 0.20 C ATOM 0 H ILE A 53 -0.333 -6.578 -0.034 1.00 0.21 H new ATOM 0 HA ILE A 53 0.724 -5.542 2.511 1.00 0.20 H new ATOM 0 HB ILE A 53 -0.219 -3.434 2.141 1.00 0.20 H new ATOM 0 HG12 ILE A 53 -0.722 -3.896 -0.800 1.00 0.18 H new ATOM 0 HG13 ILE A 53 -1.975 -4.185 0.390 1.00 0.18 H new ATOM 0 HG21 ILE A 53 1.380 -2.599 0.332 1.00 0.22 H new ATOM 0 HG22 ILE A 53 2.152 -3.790 1.406 1.00 0.22 H new ATOM 0 HG23 ILE A 53 1.587 -4.282 -0.208 1.00 0.22 H new ATOM 0 HD11 ILE A 53 -2.111 -1.866 -0.481 1.00 0.20 H new ATOM 0 HD12 ILE A 53 -1.711 -1.857 1.253 1.00 0.20 H new ATOM 0 HD13 ILE A 53 -0.438 -1.564 0.044 1.00 0.20 H new ATOM 875 N GLU A 54 -1.670 -5.535 3.447 1.00 0.17 N ATOM 876 CA GLU A 54 -2.916 -5.874 4.115 1.00 0.14 C ATOM 877 C GLU A 54 -3.436 -4.587 4.743 1.00 0.16 C ATOM 878 O GLU A 54 -2.659 -3.854 5.355 1.00 0.22 O ATOM 879 CB GLU A 54 -2.619 -6.952 5.161 1.00 0.20 C ATOM 880 CG GLU A 54 -3.837 -7.353 6.005 1.00 0.32 C ATOM 881 CD GLU A 54 -3.417 -8.249 7.170 1.00 0.63 C ATOM 882 OE1 GLU A 54 -2.439 -9.013 6.992 1.00 0.85 O ATOM 883 OE2 GLU A 54 -4.000 -8.095 8.263 1.00 1.73 O ATOM 0 H GLU A 54 -1.057 -4.950 4.014 1.00 0.17 H new ATOM 0 HA GLU A 54 -3.672 -6.272 3.438 1.00 0.14 H new ATOM 0 HB2 GLU A 54 -2.232 -7.837 4.656 1.00 0.20 H new ATOM 0 HB3 GLU A 54 -1.832 -6.594 5.824 1.00 0.20 H new ATOM 0 HG2 GLU A 54 -4.331 -6.459 6.387 1.00 0.32 H new ATOM 0 HG3 GLU A 54 -4.562 -7.876 5.381 1.00 0.32 H new ATOM 890 N ILE A 55 -4.728 -4.300 4.565 1.00 0.16 N ATOM 891 CA ILE A 55 -5.376 -3.081 5.035 1.00 0.18 C ATOM 892 C ILE A 55 -6.420 -3.528 6.046 1.00 0.22 C ATOM 893 O ILE A 55 -7.346 -4.259 5.701 1.00 0.37 O ATOM 894 CB ILE A 55 -6.087 -2.335 3.885 1.00 0.23 C ATOM 895 CG1 ILE A 55 -5.241 -2.204 2.605 1.00 0.26 C ATOM 896 CG2 ILE A 55 -6.600 -0.956 4.334 1.00 0.41 C ATOM 897 CD1 ILE A 55 -6.140 -2.050 1.378 1.00 1.20 C ATOM 0 H ILE A 55 -5.366 -4.928 4.077 1.00 0.16 H new ATOM 0 HA ILE A 55 -4.637 -2.401 5.458 1.00 0.18 H new ATOM 0 HB ILE A 55 -6.939 -2.963 3.626 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -4.578 -1.342 2.687 1.00 0.26 H new ATOM 0 HG13 ILE A 55 -4.607 -3.083 2.490 1.00 0.26 H new ATOM 0 HG21 ILE A 55 -7.094 -0.462 3.498 1.00 0.41 H new ATOM 0 HG22 ILE A 55 -7.309 -1.080 5.152 1.00 0.41 H new ATOM 0 HG23 ILE A 55 -5.761 -0.347 4.671 1.00 0.41 H new ATOM 0 HD11 ILE A 55 -5.523 -1.959 0.484 1.00 1.20 H new ATOM 0 HD12 ILE A 55 -6.784 -2.925 1.287 1.00 1.20 H new ATOM 0 HD13 ILE A 55 -6.755 -1.157 1.487 1.00 1.20 H new ATOM 909 N ASN A 56 -6.301 -3.105 7.295 1.00 0.33 N ATOM 910 CA ASN A 56 -7.238 -3.511 8.320 1.00 0.32 C ATOM 911 C ASN A 56 -8.272 -2.402 8.445 1.00 0.33 C ATOM 912 O ASN A 56 -7.953 -1.338 8.980 1.00 0.41 O ATOM 913 CB ASN A 56 -6.478 -3.728 9.636 1.00 0.37 C ATOM 914 CG ASN A 56 -5.302 -4.679 9.452 1.00 0.40 C ATOM 915 OD1 ASN A 56 -4.155 -4.245 9.401 1.00 1.15 O ATOM 916 ND2 ASN A 56 -5.579 -5.967 9.318 1.00 1.11 N ATOM 0 H ASN A 56 -5.563 -2.480 7.619 1.00 0.33 H new ATOM 0 HA ASN A 56 -7.737 -4.447 8.071 1.00 0.32 H new ATOM 0 HB2 ASN A 56 -6.117 -2.770 10.011 1.00 0.37 H new ATOM 0 HB3 ASN A 56 -7.158 -4.129 10.388 1.00 0.37 H new ATOM 0 HD21 ASN A 56 -4.826 -6.638 9.166 1.00 1.11 H new ATOM 0 HD22 ASN A 56 -6.546 -6.288 9.366 1.00 1.11 H new ATOM 923 N PHE A 57 -9.494 -2.634 7.949 1.00 0.30 N ATOM 924 CA PHE A 57 -10.527 -1.600 7.916 1.00 0.30 C ATOM 925 C PHE A 57 -11.712 -2.021 8.781 1.00 0.28 C ATOM 926 O PHE A 57 -12.685 -2.583 8.288 1.00 0.35 O ATOM 927 CB PHE A 57 -10.939 -1.282 6.467 1.00 0.34 C ATOM 928 CG PHE A 57 -11.035 0.190 6.115 1.00 0.55 C ATOM 929 CD1 PHE A 57 -10.741 0.599 4.805 1.00 1.22 C ATOM 930 CD2 PHE A 57 -11.409 1.154 7.068 1.00 2.12 C ATOM 931 CE1 PHE A 57 -10.851 1.951 4.432 1.00 1.12 C ATOM 932 CE2 PHE A 57 -11.480 2.511 6.708 1.00 2.51 C ATOM 933 CZ PHE A 57 -11.226 2.911 5.386 1.00 1.38 C ATOM 0 H PHE A 57 -9.788 -3.532 7.565 1.00 0.30 H new ATOM 0 HA PHE A 57 -10.126 -0.677 8.334 1.00 0.30 H new ATOM 0 HB2 PHE A 57 -10.221 -1.751 5.794 1.00 0.34 H new ATOM 0 HB3 PHE A 57 -11.906 -1.746 6.274 1.00 0.34 H new ATOM 0 HD1 PHE A 57 -10.427 -0.132 4.075 1.00 1.22 H new ATOM 0 HD2 PHE A 57 -11.642 0.851 8.078 1.00 2.12 H new ATOM 0 HE1 PHE A 57 -10.648 2.250 3.414 1.00 1.12 H new ATOM 0 HE2 PHE A 57 -11.732 3.251 7.453 1.00 2.51 H new ATOM 0 HZ PHE A 57 -11.318 3.950 5.105 1.00 1.38 H new ATOM 943 N PRO A 58 -11.649 -1.777 10.094 1.00 0.34 N ATOM 944 CA PRO A 58 -12.643 -2.298 11.014 1.00 0.39 C ATOM 945 C PRO A 58 -14.003 -1.638 10.782 1.00 0.31 C ATOM 946 O PRO A 58 -14.134 -0.666 10.038 1.00 0.26 O ATOM 947 CB PRO A 58 -12.076 -2.013 12.408 1.00 0.52 C ATOM 948 CG PRO A 58 -11.188 -0.787 12.187 1.00 0.53 C ATOM 949 CD PRO A 58 -10.622 -1.020 10.787 1.00 0.44 C ATOM 0 HA PRO A 58 -12.824 -3.364 10.878 1.00 0.39 H new ATOM 0 HB2 PRO A 58 -12.867 -1.811 13.130 1.00 0.52 H new ATOM 0 HB3 PRO A 58 -11.505 -2.859 12.790 1.00 0.52 H new ATOM 0 HG2 PRO A 58 -11.759 0.140 12.242 1.00 0.53 H new ATOM 0 HG3 PRO A 58 -10.398 -0.720 12.936 1.00 0.53 H new ATOM 0 HD2 PRO A 58 -10.417 -0.077 10.281 1.00 0.44 H new ATOM 0 HD3 PRO A 58 -9.683 -1.572 10.827 1.00 0.44 H new ATOM 957 N ALA A 59 -15.033 -2.135 11.476 1.00 0.35 N ATOM 958 CA ALA A 59 -16.355 -1.525 11.435 1.00 0.32 C ATOM 959 C ALA A 59 -16.284 -0.055 11.835 1.00 0.26 C ATOM 960 O ALA A 59 -17.078 0.755 11.368 1.00 0.25 O ATOM 961 CB ALA A 59 -17.322 -2.283 12.339 1.00 0.40 C ATOM 0 H ALA A 59 -14.970 -2.960 12.072 1.00 0.35 H new ATOM 0 HA ALA A 59 -16.726 -1.581 10.412 1.00 0.32 H new ATOM 0 HB1 ALA A 59 -18.305 -1.813 12.296 1.00 0.40 H new ATOM 0 HB2 ALA A 59 -17.399 -3.317 12.003 1.00 0.40 H new ATOM 0 HB3 ALA A 59 -16.954 -2.261 13.365 1.00 0.40 H new ATOM 967 N GLU A 60 -15.295 0.283 12.660 1.00 0.28 N ATOM 968 CA GLU A 60 -14.968 1.626 13.094 1.00 0.30 C ATOM 969 C GLU A 60 -14.313 2.466 11.989 1.00 0.26 C ATOM 970 O GLU A 60 -13.689 3.471 12.301 1.00 0.31 O ATOM 971 CB GLU A 60 -14.024 1.519 14.296 1.00 0.42 C ATOM 972 CG GLU A 60 -14.651 0.704 15.428 1.00 0.55 C ATOM 973 CD GLU A 60 -13.715 0.710 16.634 1.00 0.75 C ATOM 974 OE1 GLU A 60 -13.934 1.558 17.526 1.00 1.48 O ATOM 975 OE2 GLU A 60 -12.768 -0.108 16.616 1.00 2.14 O ATOM 0 H GLU A 60 -14.670 -0.416 13.062 1.00 0.28 H new ATOM 0 HA GLU A 60 -15.894 2.135 13.360 1.00 0.30 H new ATOM 0 HB2 GLU A 60 -13.089 1.053 13.985 1.00 0.42 H new ATOM 0 HB3 GLU A 60 -13.778 2.518 14.658 1.00 0.42 H new ATOM 0 HG2 GLU A 60 -15.618 1.125 15.702 1.00 0.55 H new ATOM 0 HG3 GLU A 60 -14.831 -0.319 15.098 1.00 0.55 H new ATOM 982 N TYR A 61 -14.480 2.128 10.709 1.00 0.21 N ATOM 983 CA TYR A 61 -14.065 2.968 9.584 1.00 0.27 C ATOM 984 C TYR A 61 -14.469 4.440 9.769 1.00 0.28 C ATOM 985 O TYR A 61 -13.618 5.322 9.660 1.00 0.27 O ATOM 986 CB TYR A 61 -14.563 2.347 8.260 1.00 0.47 C ATOM 987 CG TYR A 61 -15.127 3.281 7.196 1.00 0.53 C ATOM 988 CD1 TYR A 61 -14.389 4.389 6.740 1.00 1.74 C ATOM 989 CD2 TYR A 61 -16.398 3.027 6.645 1.00 2.17 C ATOM 990 CE1 TYR A 61 -14.916 5.239 5.757 1.00 1.76 C ATOM 991 CE2 TYR A 61 -16.931 3.869 5.653 1.00 2.19 C ATOM 992 CZ TYR A 61 -16.192 4.985 5.205 1.00 0.65 C ATOM 993 OH TYR A 61 -16.719 5.824 4.270 1.00 0.73 O ATOM 0 H TYR A 61 -14.913 1.251 10.421 1.00 0.21 H new ATOM 0 HA TYR A 61 -12.976 2.991 9.544 1.00 0.27 H new ATOM 0 HB2 TYR A 61 -13.732 1.799 7.816 1.00 0.47 H new ATOM 0 HB3 TYR A 61 -15.334 1.616 8.504 1.00 0.47 H new ATOM 0 HD1 TYR A 61 -13.410 4.586 7.150 1.00 1.74 H new ATOM 0 HD2 TYR A 61 -16.969 2.177 6.988 1.00 2.17 H new ATOM 0 HE1 TYR A 61 -14.344 6.091 5.420 1.00 1.76 H new ATOM 0 HE2 TYR A 61 -17.905 3.662 5.234 1.00 2.19 H new ATOM 0 HH TYR A 61 -16.558 6.753 4.536 1.00 0.73 H new ATOM 1003 N PRO A 62 -15.740 4.765 10.039 1.00 0.36 N ATOM 1004 CA PRO A 62 -16.127 6.154 10.194 1.00 0.46 C ATOM 1005 C PRO A 62 -15.676 6.729 11.545 1.00 0.49 C ATOM 1006 O PRO A 62 -15.766 7.934 11.749 1.00 0.58 O ATOM 1007 CB PRO A 62 -17.646 6.160 10.027 1.00 0.58 C ATOM 1008 CG PRO A 62 -18.063 4.783 10.542 1.00 0.55 C ATOM 1009 CD PRO A 62 -16.884 3.881 10.177 1.00 0.40 C ATOM 0 HA PRO A 62 -15.646 6.797 9.457 1.00 0.46 H new ATOM 0 HB2 PRO A 62 -18.110 6.962 10.601 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -17.935 6.305 8.986 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -18.239 4.795 11.618 1.00 0.55 H new ATOM 0 HG3 PRO A 62 -18.986 4.444 10.072 1.00 0.55 H new ATOM 0 HD2 PRO A 62 -16.709 3.133 10.950 1.00 0.40 H new ATOM 0 HD3 PRO A 62 -17.076 3.342 9.249 1.00 0.40 H new ATOM 1017 N PHE A 63 -15.187 5.890 12.463 1.00 0.45 N ATOM 1018 CA PHE A 63 -14.713 6.274 13.787 1.00 0.52 C ATOM 1019 C PHE A 63 -13.208 6.551 13.806 1.00 0.48 C ATOM 1020 O PHE A 63 -12.747 7.313 14.652 1.00 0.57 O ATOM 1021 CB PHE A 63 -15.047 5.161 14.793 1.00 0.57 C ATOM 1022 CG PHE A 63 -16.228 5.468 15.685 1.00 0.72 C ATOM 1023 CD1 PHE A 63 -16.015 6.006 16.966 1.00 2.12 C ATOM 1024 CD2 PHE A 63 -17.537 5.201 15.244 1.00 1.65 C ATOM 1025 CE1 PHE A 63 -17.107 6.270 17.811 1.00 2.27 C ATOM 1026 CE2 PHE A 63 -18.630 5.467 16.089 1.00 1.65 C ATOM 1027 CZ PHE A 63 -18.415 5.999 17.372 1.00 1.09 C ATOM 0 H PHE A 63 -15.109 4.887 12.293 1.00 0.45 H new ATOM 0 HA PHE A 63 -15.219 7.199 14.064 1.00 0.52 H new ATOM 0 HB2 PHE A 63 -15.249 4.240 14.246 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -14.173 4.976 15.417 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -15.010 6.217 17.302 1.00 2.12 H new ATOM 0 HD2 PHE A 63 -17.703 4.792 14.258 1.00 1.65 H new ATOM 0 HE1 PHE A 63 -16.941 6.680 18.796 1.00 2.27 H new ATOM 0 HE2 PHE A 63 -19.635 5.262 15.751 1.00 1.65 H new ATOM 0 HZ PHE A 63 -19.255 6.200 18.021 1.00 1.09 H new ATOM 1037 N LYS A 64 -12.418 5.916 12.937 1.00 0.34 N ATOM 1038 CA LYS A 64 -10.973 6.095 12.908 1.00 0.28 C ATOM 1039 C LYS A 64 -10.444 5.633 11.554 1.00 0.24 C ATOM 1040 O LYS A 64 -11.066 4.789 10.914 1.00 0.24 O ATOM 1041 CB LYS A 64 -10.321 5.291 14.046 1.00 0.37 C ATOM 1042 CG LYS A 64 -10.629 3.787 13.989 1.00 1.36 C ATOM 1043 CD LYS A 64 -9.759 3.008 14.977 1.00 1.77 C ATOM 1044 CE LYS A 64 -8.301 3.001 14.500 1.00 3.04 C ATOM 1045 NZ LYS A 64 -7.441 2.205 15.399 1.00 3.79 N ATOM 0 H LYS A 64 -12.767 5.264 12.235 1.00 0.34 H new ATOM 0 HA LYS A 64 -10.727 7.147 13.050 1.00 0.28 H new ATOM 0 HB2 LYS A 64 -9.241 5.434 14.009 1.00 0.37 H new ATOM 0 HB3 LYS A 64 -10.662 5.688 15.002 1.00 0.37 H new ATOM 0 HG2 LYS A 64 -11.682 3.620 14.216 1.00 1.36 H new ATOM 0 HG3 LYS A 64 -10.458 3.416 12.978 1.00 1.36 H new ATOM 0 HD2 LYS A 64 -9.824 3.460 15.967 1.00 1.77 H new ATOM 0 HD3 LYS A 64 -10.125 1.985 15.069 1.00 1.77 H new ATOM 0 HE2 LYS A 64 -8.249 2.593 13.490 1.00 3.04 H new ATOM 0 HE3 LYS A 64 -7.928 4.024 14.450 1.00 3.04 H new ATOM 0 HZ1 LYS A 64 -6.462 2.221 15.048 1.00 3.79 H new ATOM 0 HZ2 LYS A 64 -7.472 2.609 16.357 1.00 3.79 H new ATOM 0 HZ3 LYS A 64 -7.783 1.223 15.427 1.00 3.79 H new ATOM 1059 N PRO A 65 -9.285 6.127 11.108 1.00 0.25 N ATOM 1060 CA PRO A 65 -8.688 5.620 9.892 1.00 0.27 C ATOM 1061 C PRO A 65 -8.209 4.179 10.117 1.00 0.24 C ATOM 1062 O PRO A 65 -7.950 3.775 11.257 1.00 0.24 O ATOM 1063 CB PRO A 65 -7.543 6.584 9.581 1.00 0.33 C ATOM 1064 CG PRO A 65 -7.124 7.102 10.956 1.00 0.32 C ATOM 1065 CD PRO A 65 -8.433 7.114 11.747 1.00 0.28 C ATOM 0 HA PRO A 65 -9.382 5.575 9.053 1.00 0.27 H new ATOM 0 HB2 PRO A 65 -6.720 6.079 9.075 1.00 0.33 H new ATOM 0 HB3 PRO A 65 -7.868 7.395 8.929 1.00 0.33 H new ATOM 0 HG2 PRO A 65 -6.381 6.454 11.420 1.00 0.32 H new ATOM 0 HG3 PRO A 65 -6.684 8.097 10.893 1.00 0.32 H new ATOM 0 HD2 PRO A 65 -8.261 6.864 12.794 1.00 0.28 H new ATOM 0 HD3 PRO A 65 -8.894 8.102 11.727 1.00 0.28 H new ATOM 1073 N PRO A 66 -8.090 3.395 9.038 1.00 0.29 N ATOM 1074 CA PRO A 66 -7.565 2.045 9.088 1.00 0.33 C ATOM 1075 C PRO A 66 -6.059 2.077 9.308 1.00 0.35 C ATOM 1076 O PRO A 66 -5.422 3.130 9.302 1.00 0.35 O ATOM 1077 CB PRO A 66 -7.914 1.430 7.735 1.00 0.45 C ATOM 1078 CG PRO A 66 -7.903 2.625 6.796 1.00 0.53 C ATOM 1079 CD PRO A 66 -8.379 3.786 7.670 1.00 0.41 C ATOM 0 HA PRO A 66 -7.986 1.464 9.908 1.00 0.33 H new ATOM 0 HB2 PRO A 66 -7.186 0.676 7.436 1.00 0.45 H new ATOM 0 HB3 PRO A 66 -8.888 0.942 7.754 1.00 0.45 H new ATOM 0 HG2 PRO A 66 -6.906 2.809 6.396 1.00 0.53 H new ATOM 0 HG3 PRO A 66 -8.565 2.469 5.944 1.00 0.53 H new ATOM 0 HD2 PRO A 66 -7.862 4.709 7.410 1.00 0.41 H new ATOM 0 HD3 PRO A 66 -9.445 3.968 7.532 1.00 0.41 H new ATOM 1087 N LYS A 67 -5.477 0.890 9.444 1.00 0.39 N ATOM 1088 CA LYS A 67 -4.037 0.714 9.429 1.00 0.32 C ATOM 1089 C LYS A 67 -3.707 -0.091 8.185 1.00 0.20 C ATOM 1090 O LYS A 67 -4.560 -0.814 7.677 1.00 0.30 O ATOM 1091 CB LYS A 67 -3.592 -0.026 10.701 1.00 0.46 C ATOM 1092 CG LYS A 67 -3.141 0.922 11.820 1.00 0.95 C ATOM 1093 CD LYS A 67 -1.822 1.624 11.456 1.00 0.78 C ATOM 1094 CE LYS A 67 -1.011 2.051 12.689 1.00 1.57 C ATOM 1095 NZ LYS A 67 -0.433 0.897 13.419 1.00 2.06 N ATOM 0 H LYS A 67 -5.997 0.022 9.568 1.00 0.39 H new ATOM 0 HA LYS A 67 -3.515 1.671 9.409 1.00 0.32 H new ATOM 0 HB2 LYS A 67 -4.416 -0.641 11.064 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.774 -0.702 10.454 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.915 1.668 12.002 1.00 0.95 H new ATOM 0 HG3 LYS A 67 -3.014 0.361 12.746 1.00 0.95 H new ATOM 0 HD2 LYS A 67 -1.217 0.955 10.844 1.00 0.78 H new ATOM 0 HD3 LYS A 67 -2.040 2.503 10.849 1.00 0.78 H new ATOM 0 HE2 LYS A 67 -0.208 2.718 12.377 1.00 1.57 H new ATOM 0 HE3 LYS A 67 -1.653 2.618 13.363 1.00 1.57 H new ATOM 0 HZ1 LYS A 67 0.263 1.238 14.112 1.00 2.06 H new ATOM 0 HZ2 LYS A 67 -1.191 0.384 13.913 1.00 2.06 H new ATOM 0 HZ3 LYS A 67 0.035 0.258 12.744 1.00 2.06 H new ATOM 1109 N ILE A 68 -2.472 0.008 7.707 1.00 0.14 N ATOM 1110 CA ILE A 68 -1.977 -0.875 6.662 1.00 0.14 C ATOM 1111 C ILE A 68 -0.628 -1.393 7.124 1.00 0.12 C ATOM 1112 O ILE A 68 0.106 -0.672 7.801 1.00 0.18 O ATOM 1113 CB ILE A 68 -1.851 -0.146 5.314 1.00 0.18 C ATOM 1114 CG1 ILE A 68 -2.935 0.932 5.155 1.00 0.29 C ATOM 1115 CG2 ILE A 68 -1.902 -1.143 4.149 1.00 0.22 C ATOM 1116 CD1 ILE A 68 -2.737 1.694 3.862 1.00 0.42 C ATOM 0 H ILE A 68 -1.792 0.696 8.030 1.00 0.14 H new ATOM 0 HA ILE A 68 -2.677 -1.695 6.500 1.00 0.14 H new ATOM 0 HB ILE A 68 -0.882 0.353 5.298 1.00 0.18 H new ATOM 0 HG12 ILE A 68 -3.922 0.469 5.164 1.00 0.29 H new ATOM 0 HG13 ILE A 68 -2.899 1.620 5.999 1.00 0.29 H new ATOM 0 HG21 ILE A 68 -1.811 -0.605 3.205 1.00 0.22 H new ATOM 0 HG22 ILE A 68 -1.081 -1.854 4.242 1.00 0.22 H new ATOM 0 HG23 ILE A 68 -2.850 -1.680 4.171 1.00 0.22 H new ATOM 0 HD11 ILE A 68 -3.513 2.453 3.765 1.00 0.42 H new ATOM 0 HD12 ILE A 68 -1.758 2.174 3.869 1.00 0.42 H new ATOM 0 HD13 ILE A 68 -2.797 1.004 3.020 1.00 0.42 H new ATOM 1128 N THR A 69 -0.303 -2.629 6.753 1.00 0.12 N ATOM 1129 CA THR A 69 1.007 -3.180 7.029 1.00 0.14 C ATOM 1130 C THR A 69 1.427 -4.022 5.830 1.00 0.14 C ATOM 1131 O THR A 69 0.709 -4.938 5.420 1.00 0.18 O ATOM 1132 CB THR A 69 0.967 -4.018 8.318 1.00 0.18 C ATOM 1133 OG1 THR A 69 0.072 -3.481 9.269 1.00 0.26 O ATOM 1134 CG2 THR A 69 2.351 -4.070 8.960 1.00 0.19 C ATOM 0 H THR A 69 -0.933 -3.262 6.261 1.00 0.12 H new ATOM 0 HA THR A 69 1.735 -2.384 7.184 1.00 0.14 H new ATOM 0 HB THR A 69 0.633 -5.015 8.032 1.00 0.18 H new ATOM 0 HG1 THR A 69 0.074 -4.042 10.073 1.00 0.26 H new ATOM 0 HG21 THR A 69 2.307 -4.666 9.871 1.00 0.19 H new ATOM 0 HG22 THR A 69 3.058 -4.522 8.264 1.00 0.19 H new ATOM 0 HG23 THR A 69 2.677 -3.059 9.204 1.00 0.19 H new ATOM 1142 N PHE A 70 2.579 -3.705 5.244 1.00 0.15 N ATOM 1143 CA PHE A 70 3.141 -4.500 4.170 1.00 0.16 C ATOM 1144 C PHE A 70 3.570 -5.839 4.757 1.00 0.18 C ATOM 1145 O PHE A 70 4.210 -5.890 5.804 1.00 0.26 O ATOM 1146 CB PHE A 70 4.320 -3.779 3.503 1.00 0.17 C ATOM 1147 CG PHE A 70 3.944 -2.628 2.581 1.00 0.18 C ATOM 1148 CD1 PHE A 70 3.097 -1.584 3.007 1.00 0.16 C ATOM 1149 CD2 PHE A 70 4.458 -2.599 1.269 1.00 0.22 C ATOM 1150 CE1 PHE A 70 2.787 -0.526 2.137 1.00 0.17 C ATOM 1151 CE2 PHE A 70 4.183 -1.519 0.414 1.00 0.23 C ATOM 1152 CZ PHE A 70 3.357 -0.474 0.856 1.00 0.19 C ATOM 0 H PHE A 70 3.141 -2.894 5.502 1.00 0.15 H new ATOM 0 HA PHE A 70 2.395 -4.657 3.391 1.00 0.16 H new ATOM 0 HB2 PHE A 70 4.979 -3.397 4.283 1.00 0.17 H new ATOM 0 HB3 PHE A 70 4.893 -4.508 2.931 1.00 0.17 H new ATOM 0 HD1 PHE A 70 2.685 -1.598 4.005 1.00 0.16 H new ATOM 0 HD2 PHE A 70 5.070 -3.416 0.917 1.00 0.22 H new ATOM 0 HE1 PHE A 70 2.107 0.251 2.455 1.00 0.17 H new ATOM 0 HE2 PHE A 70 4.606 -1.493 -0.580 1.00 0.23 H new ATOM 0 HZ PHE A 70 3.160 0.369 0.211 1.00 0.19 H new ATOM 1162 N LYS A 71 3.200 -6.935 4.095 1.00 0.24 N ATOM 1163 CA LYS A 71 3.670 -8.263 4.470 1.00 0.27 C ATOM 1164 C LYS A 71 5.114 -8.430 4.001 1.00 0.27 C ATOM 1165 O LYS A 71 5.918 -9.092 4.651 1.00 0.32 O ATOM 1166 CB LYS A 71 2.792 -9.348 3.825 1.00 0.30 C ATOM 1167 CG LYS A 71 1.271 -9.124 3.897 1.00 0.52 C ATOM 1168 CD LYS A 71 0.657 -9.323 5.286 1.00 0.60 C ATOM 1169 CE LYS A 71 0.975 -8.171 6.246 1.00 0.86 C ATOM 1170 NZ LYS A 71 0.098 -8.217 7.433 1.00 1.28 N ATOM 0 H LYS A 71 2.572 -6.926 3.291 1.00 0.24 H new ATOM 0 HA LYS A 71 3.613 -8.369 5.553 1.00 0.27 H new ATOM 0 HB2 LYS A 71 3.075 -9.439 2.776 1.00 0.30 H new ATOM 0 HB3 LYS A 71 3.021 -10.301 4.301 1.00 0.30 H new ATOM 0 HG2 LYS A 71 1.051 -8.111 3.560 1.00 0.52 H new ATOM 0 HG3 LYS A 71 0.784 -9.805 3.199 1.00 0.52 H new ATOM 0 HD2 LYS A 71 -0.424 -9.422 5.190 1.00 0.60 H new ATOM 0 HD3 LYS A 71 1.026 -10.257 5.711 1.00 0.60 H new ATOM 0 HE2 LYS A 71 2.018 -8.229 6.557 1.00 0.86 H new ATOM 0 HE3 LYS A 71 0.848 -7.218 5.732 1.00 0.86 H new ATOM 0 HZ1 LYS A 71 -0.068 -7.251 7.780 1.00 1.28 H new ATOM 0 HZ2 LYS A 71 -0.810 -8.654 7.177 1.00 1.28 H new ATOM 0 HZ3 LYS A 71 0.554 -8.779 8.180 1.00 1.28 H new ATOM 1184 N THR A 72 5.420 -7.876 2.830 1.00 0.28 N ATOM 1185 CA THR A 72 6.713 -8.037 2.196 1.00 0.29 C ATOM 1186 C THR A 72 7.657 -6.913 2.654 1.00 0.35 C ATOM 1187 O THR A 72 7.203 -5.814 2.963 1.00 0.49 O ATOM 1188 CB THR A 72 6.511 -8.107 0.672 1.00 0.27 C ATOM 1189 OG1 THR A 72 5.793 -6.995 0.161 1.00 0.33 O ATOM 1190 CG2 THR A 72 5.695 -9.354 0.299 1.00 0.25 C ATOM 0 H THR A 72 4.769 -7.300 2.296 1.00 0.28 H new ATOM 0 HA THR A 72 7.192 -8.969 2.494 1.00 0.29 H new ATOM 0 HB THR A 72 7.513 -8.126 0.244 1.00 0.27 H new ATOM 0 HG1 THR A 72 5.714 -6.309 0.856 1.00 0.33 H new ATOM 0 HG21 THR A 72 5.560 -9.390 -0.782 1.00 0.25 H new ATOM 0 HG22 THR A 72 6.225 -10.248 0.629 1.00 0.25 H new ATOM 0 HG23 THR A 72 4.720 -9.310 0.785 1.00 0.25 H new ATOM 1198 N LYS A 73 8.967 -7.188 2.743 1.00 0.30 N ATOM 1199 CA LYS A 73 9.969 -6.216 3.187 1.00 0.27 C ATOM 1200 C LYS A 73 9.966 -5.023 2.252 1.00 0.36 C ATOM 1201 O LYS A 73 10.094 -5.207 1.046 1.00 0.81 O ATOM 1202 CB LYS A 73 11.379 -6.831 3.159 1.00 0.30 C ATOM 1203 CG LYS A 73 11.917 -7.227 4.530 1.00 0.69 C ATOM 1204 CD LYS A 73 10.930 -8.049 5.351 1.00 0.52 C ATOM 1205 CE LYS A 73 11.696 -8.722 6.491 1.00 0.64 C ATOM 1206 NZ LYS A 73 10.789 -9.462 7.390 1.00 1.57 N ATOM 0 H LYS A 73 9.360 -8.099 2.506 1.00 0.30 H new ATOM 0 HA LYS A 73 9.719 -5.916 4.205 1.00 0.27 H new ATOM 0 HB2 LYS A 73 11.366 -7.713 2.518 1.00 0.30 H new ATOM 0 HB3 LYS A 73 12.066 -6.117 2.704 1.00 0.30 H new ATOM 0 HG2 LYS A 73 12.836 -7.799 4.401 1.00 0.69 H new ATOM 0 HG3 LYS A 73 12.178 -6.326 5.084 1.00 0.69 H new ATOM 0 HD2 LYS A 73 10.142 -7.409 5.749 1.00 0.52 H new ATOM 0 HD3 LYS A 73 10.446 -8.798 4.724 1.00 0.52 H new ATOM 0 HE2 LYS A 73 12.438 -9.405 6.078 1.00 0.64 H new ATOM 0 HE3 LYS A 73 12.239 -7.968 7.061 1.00 0.64 H new ATOM 0 HZ1 LYS A 73 11.341 -9.906 8.151 1.00 1.57 H new ATOM 0 HZ2 LYS A 73 10.097 -8.805 7.802 1.00 1.57 H new ATOM 0 HZ3 LYS A 73 10.289 -10.198 6.851 1.00 1.57 H new ATOM 1220 N ILE A 74 9.923 -3.813 2.805 1.00 0.26 N ATOM 1221 CA ILE A 74 9.904 -2.594 2.021 1.00 0.23 C ATOM 1222 C ILE A 74 11.264 -1.920 2.106 1.00 0.22 C ATOM 1223 O ILE A 74 11.981 -2.086 3.087 1.00 0.36 O ATOM 1224 CB ILE A 74 8.769 -1.668 2.491 1.00 0.31 C ATOM 1225 CG1 ILE A 74 8.879 -1.172 3.943 1.00 0.38 C ATOM 1226 CG2 ILE A 74 7.436 -2.401 2.342 1.00 0.45 C ATOM 1227 CD1 ILE A 74 9.917 -0.064 4.142 1.00 0.31 C ATOM 0 H ILE A 74 9.900 -3.657 3.813 1.00 0.26 H new ATOM 0 HA ILE A 74 9.707 -2.831 0.975 1.00 0.23 H new ATOM 0 HB ILE A 74 8.842 -0.782 1.860 1.00 0.31 H new ATOM 0 HG12 ILE A 74 7.905 -0.806 4.267 1.00 0.38 H new ATOM 0 HG13 ILE A 74 9.133 -2.014 4.586 1.00 0.38 H new ATOM 0 HG21 ILE A 74 6.625 -1.752 2.673 1.00 0.45 H new ATOM 0 HG22 ILE A 74 7.283 -2.669 1.297 1.00 0.45 H new ATOM 0 HG23 ILE A 74 7.448 -3.305 2.950 1.00 0.45 H new ATOM 0 HD11 ILE A 74 9.936 0.233 5.191 1.00 0.31 H new ATOM 0 HD12 ILE A 74 10.901 -0.431 3.851 1.00 0.31 H new ATOM 0 HD13 ILE A 74 9.654 0.796 3.526 1.00 0.31 H new ATOM 1239 N TYR A 75 11.597 -1.133 1.083 1.00 0.19 N ATOM 1240 CA TYR A 75 12.768 -0.264 1.077 1.00 0.25 C ATOM 1241 C TYR A 75 12.330 1.208 0.959 1.00 0.41 C ATOM 1242 O TYR A 75 13.156 2.114 0.984 1.00 0.93 O ATOM 1243 CB TYR A 75 13.707 -0.683 -0.072 1.00 0.29 C ATOM 1244 CG TYR A 75 13.284 -0.126 -1.408 1.00 2.62 C ATOM 1245 CD1 TYR A 75 13.914 1.029 -1.900 1.00 3.81 C ATOM 1246 CD2 TYR A 75 12.224 -0.716 -2.118 1.00 4.63 C ATOM 1247 CE1 TYR A 75 13.444 1.633 -3.073 1.00 6.20 C ATOM 1248 CE2 TYR A 75 11.745 -0.109 -3.289 1.00 7.07 C ATOM 1249 CZ TYR A 75 12.334 1.093 -3.744 1.00 7.71 C ATOM 1250 OH TYR A 75 11.867 1.725 -4.850 1.00 10.17 O ATOM 0 H TYR A 75 11.051 -1.082 0.223 1.00 0.19 H new ATOM 0 HA TYR A 75 13.316 -0.365 2.014 1.00 0.25 H new ATOM 0 HB2 TYR A 75 14.719 -0.347 0.152 1.00 0.29 H new ATOM 0 HB3 TYR A 75 13.738 -1.771 -0.131 1.00 0.29 H new ATOM 0 HD1 TYR A 75 14.759 1.450 -1.375 1.00 3.81 H new ATOM 0 HD2 TYR A 75 11.779 -1.634 -1.763 1.00 4.63 H new ATOM 0 HE1 TYR A 75 13.935 2.513 -3.461 1.00 6.20 H new ATOM 0 HE2 TYR A 75 10.931 -0.557 -3.839 1.00 7.07 H new ATOM 0 HH TYR A 75 10.961 2.057 -4.679 1.00 10.17 H new ATOM 1260 N HIS A 76 11.026 1.462 0.799 1.00 0.20 N ATOM 1261 CA HIS A 76 10.482 2.794 0.568 1.00 0.19 C ATOM 1262 C HIS A 76 10.426 3.565 1.879 1.00 0.24 C ATOM 1263 O HIS A 76 10.086 2.978 2.897 1.00 0.50 O ATOM 1264 CB HIS A 76 9.059 2.671 0.019 1.00 0.31 C ATOM 1265 CG HIS A 76 9.038 2.251 -1.421 1.00 0.49 C ATOM 1266 ND1 HIS A 76 8.823 0.976 -1.912 1.00 0.65 N ATOM 1267 CD2 HIS A 76 9.192 3.102 -2.476 1.00 1.07 C ATOM 1268 CE1 HIS A 76 8.863 1.063 -3.255 1.00 1.06 C ATOM 1269 NE2 HIS A 76 9.109 2.336 -3.614 1.00 1.36 N ATOM 0 H HIS A 76 10.313 0.733 0.828 1.00 0.20 H new ATOM 0 HA HIS A 76 11.120 3.319 -0.143 1.00 0.19 H new ATOM 0 HB2 HIS A 76 8.504 1.946 0.615 1.00 0.31 H new ATOM 0 HB3 HIS A 76 8.548 3.628 0.123 1.00 0.31 H new ATOM 0 HD2 HIS A 76 9.349 4.169 -2.427 1.00 1.07 H new ATOM 0 HE1 HIS A 76 8.720 0.239 -3.938 1.00 1.06 H new ATOM 0 HE2 HIS A 76 9.216 2.675 -4.570 1.00 1.36 H new ATOM 1278 N PRO A 77 10.642 4.885 1.857 1.00 0.16 N ATOM 1279 CA PRO A 77 10.634 5.702 3.057 1.00 0.16 C ATOM 1280 C PRO A 77 9.224 5.952 3.578 1.00 0.15 C ATOM 1281 O PRO A 77 9.032 6.216 4.761 1.00 0.15 O ATOM 1282 CB PRO A 77 11.286 7.008 2.622 1.00 0.21 C ATOM 1283 CG PRO A 77 10.880 7.143 1.156 1.00 0.26 C ATOM 1284 CD PRO A 77 10.920 5.692 0.679 1.00 0.30 C ATOM 0 HA PRO A 77 11.158 5.213 3.878 1.00 0.16 H new ATOM 0 HB2 PRO A 77 10.931 7.850 3.215 1.00 0.21 H new ATOM 0 HB3 PRO A 77 12.369 6.972 2.736 1.00 0.21 H new ATOM 0 HG2 PRO A 77 9.888 7.581 1.046 1.00 0.26 H new ATOM 0 HG3 PRO A 77 11.571 7.775 0.598 1.00 0.26 H new ATOM 0 HD2 PRO A 77 10.179 5.515 -0.101 1.00 0.30 H new ATOM 0 HD3 PRO A 77 11.894 5.445 0.256 1.00 0.30 H new ATOM 1292 N ASN A 78 8.230 5.950 2.691 1.00 0.21 N ATOM 1293 CA ASN A 78 6.852 6.251 3.054 1.00 0.22 C ATOM 1294 C ASN A 78 6.202 5.138 3.877 1.00 0.18 C ATOM 1295 O ASN A 78 5.122 5.344 4.431 1.00 0.24 O ATOM 1296 CB ASN A 78 6.051 6.535 1.782 1.00 0.38 C ATOM 1297 CG ASN A 78 6.269 7.974 1.339 1.00 1.32 C ATOM 1298 OD1 ASN A 78 7.039 8.240 0.425 1.00 1.27 O ATOM 1299 ND2 ASN A 78 5.621 8.925 2.001 1.00 3.14 N ATOM 0 H ASN A 78 8.360 5.739 1.702 1.00 0.21 H new ATOM 0 HA ASN A 78 6.855 7.134 3.694 1.00 0.22 H new ATOM 0 HB2 ASN A 78 6.357 5.852 0.990 1.00 0.38 H new ATOM 0 HB3 ASN A 78 4.991 6.358 1.963 1.00 0.38 H new ATOM 0 HD21 ASN A 78 5.759 9.904 1.752 1.00 3.14 H new ATOM 0 HD22 ASN A 78 4.985 8.676 2.759 1.00 3.14 H new ATOM 1306 N ILE A 79 6.841 3.970 3.957 1.00 0.17 N ATOM 1307 CA ILE A 79 6.449 2.855 4.795 1.00 0.19 C ATOM 1308 C ILE A 79 7.638 2.610 5.737 1.00 0.20 C ATOM 1309 O ILE A 79 8.738 3.094 5.482 1.00 0.23 O ATOM 1310 CB ILE A 79 6.089 1.664 3.879 1.00 0.20 C ATOM 1311 CG1 ILE A 79 5.095 2.093 2.778 1.00 0.23 C ATOM 1312 CG2 ILE A 79 5.482 0.482 4.657 1.00 0.23 C ATOM 1313 CD1 ILE A 79 5.672 2.001 1.360 1.00 0.39 C ATOM 0 H ILE A 79 7.681 3.775 3.413 1.00 0.17 H new ATOM 0 HA ILE A 79 5.563 3.031 5.405 1.00 0.19 H new ATOM 0 HB ILE A 79 7.027 1.337 3.430 1.00 0.20 H new ATOM 0 HG12 ILE A 79 4.205 1.467 2.840 1.00 0.23 H new ATOM 0 HG13 ILE A 79 4.778 3.119 2.966 1.00 0.23 H new ATOM 0 HG21 ILE A 79 5.248 -0.327 3.965 1.00 0.23 H new ATOM 0 HG22 ILE A 79 6.198 0.129 5.399 1.00 0.23 H new ATOM 0 HG23 ILE A 79 4.570 0.806 5.158 1.00 0.23 H new ATOM 0 HD11 ILE A 79 4.918 2.318 0.639 1.00 0.39 H new ATOM 0 HD12 ILE A 79 6.545 2.648 1.280 1.00 0.39 H new ATOM 0 HD13 ILE A 79 5.963 0.971 1.152 1.00 0.39 H new ATOM 1325 N ASP A 80 7.431 1.907 6.844 1.00 0.22 N ATOM 1326 CA ASP A 80 8.468 1.553 7.798 1.00 0.24 C ATOM 1327 C ASP A 80 8.947 0.138 7.496 1.00 0.27 C ATOM 1328 O ASP A 80 8.256 -0.618 6.816 1.00 0.29 O ATOM 1329 CB ASP A 80 7.876 1.587 9.208 1.00 0.28 C ATOM 1330 CG ASP A 80 8.900 1.138 10.241 1.00 0.42 C ATOM 1331 OD1 ASP A 80 10.027 1.680 10.192 1.00 1.44 O ATOM 1332 OD2 ASP A 80 8.584 0.174 10.974 1.00 1.13 O ATOM 0 H ASP A 80 6.509 1.559 7.108 1.00 0.22 H new ATOM 0 HA ASP A 80 9.300 2.254 7.727 1.00 0.24 H new ATOM 0 HB2 ASP A 80 7.539 2.597 9.440 1.00 0.28 H new ATOM 0 HB3 ASP A 80 7.000 0.940 9.254 1.00 0.28 H new ATOM 1337 N GLU A 81 10.092 -0.260 8.044 1.00 0.29 N ATOM 1338 CA GLU A 81 10.603 -1.616 7.913 1.00 0.31 C ATOM 1339 C GLU A 81 9.599 -2.669 8.386 1.00 0.29 C ATOM 1340 O GLU A 81 9.509 -3.743 7.794 1.00 0.33 O ATOM 1341 CB GLU A 81 11.932 -1.733 8.659 1.00 0.38 C ATOM 1342 CG GLU A 81 13.024 -1.030 7.845 1.00 0.89 C ATOM 1343 CD GLU A 81 14.345 -0.969 8.609 1.00 2.00 C ATOM 1344 OE1 GLU A 81 14.834 0.164 8.814 1.00 3.21 O ATOM 1345 OE2 GLU A 81 14.837 -2.057 8.983 1.00 2.53 O ATOM 0 H GLU A 81 10.692 0.354 8.594 1.00 0.29 H new ATOM 0 HA GLU A 81 10.768 -1.815 6.854 1.00 0.31 H new ATOM 0 HB2 GLU A 81 11.850 -1.282 9.648 1.00 0.38 H new ATOM 0 HB3 GLU A 81 12.189 -2.782 8.808 1.00 0.38 H new ATOM 0 HG2 GLU A 81 13.172 -1.557 6.903 1.00 0.89 H new ATOM 0 HG3 GLU A 81 12.700 -0.019 7.597 1.00 0.89 H new ATOM 1352 N LYS A 82 8.796 -2.378 9.415 1.00 0.27 N ATOM 1353 CA LYS A 82 7.730 -3.283 9.847 1.00 0.29 C ATOM 1354 C LYS A 82 6.464 -3.104 9.008 1.00 0.29 C ATOM 1355 O LYS A 82 5.366 -3.385 9.477 1.00 0.33 O ATOM 1356 CB LYS A 82 7.476 -3.053 11.342 1.00 0.29 C ATOM 1357 CG LYS A 82 8.486 -3.885 12.130 1.00 0.87 C ATOM 1358 CD LYS A 82 8.682 -3.318 13.537 1.00 1.00 C ATOM 1359 CE LYS A 82 9.540 -4.268 14.378 1.00 1.50 C ATOM 1360 NZ LYS A 82 10.880 -4.480 13.784 1.00 3.16 N ATOM 0 H LYS A 82 8.866 -1.521 9.964 1.00 0.27 H new ATOM 0 HA LYS A 82 8.040 -4.317 9.694 1.00 0.29 H new ATOM 0 HB2 LYS A 82 7.580 -1.996 11.587 1.00 0.29 H new ATOM 0 HB3 LYS A 82 6.458 -3.342 11.604 1.00 0.29 H new ATOM 0 HG2 LYS A 82 8.141 -4.917 12.194 1.00 0.87 H new ATOM 0 HG3 LYS A 82 9.440 -3.900 11.604 1.00 0.87 H new ATOM 0 HD2 LYS A 82 9.160 -2.340 13.479 1.00 1.00 H new ATOM 0 HD3 LYS A 82 7.714 -3.172 14.016 1.00 1.00 H new ATOM 0 HE2 LYS A 82 9.650 -3.863 15.384 1.00 1.50 H new ATOM 0 HE3 LYS A 82 9.031 -5.227 14.474 1.00 1.50 H new ATOM 0 HZ1 LYS A 82 11.479 -5.002 14.455 1.00 3.16 H new ATOM 0 HZ2 LYS A 82 10.787 -5.027 12.905 1.00 3.16 H new ATOM 0 HZ3 LYS A 82 11.316 -3.560 13.574 1.00 3.16 H new ATOM 1374 N GLY A 83 6.587 -2.624 7.772 1.00 0.28 N ATOM 1375 CA GLY A 83 5.488 -2.465 6.845 1.00 0.27 C ATOM 1376 C GLY A 83 4.481 -1.392 7.251 1.00 0.23 C ATOM 1377 O GLY A 83 3.527 -1.178 6.507 1.00 0.21 O ATOM 0 H GLY A 83 7.483 -2.329 7.385 1.00 0.28 H new ATOM 0 HA2 GLY A 83 5.889 -2.219 5.862 1.00 0.27 H new ATOM 0 HA3 GLY A 83 4.968 -3.418 6.748 1.00 0.27 H new ATOM 1381 N GLN A 84 4.643 -0.735 8.402 1.00 0.23 N ATOM 1382 CA GLN A 84 3.678 0.238 8.888 1.00 0.23 C ATOM 1383 C GLN A 84 3.656 1.446 7.963 1.00 0.22 C ATOM 1384 O GLN A 84 4.672 1.798 7.380 1.00 0.25 O ATOM 1385 CB GLN A 84 4.046 0.678 10.308 1.00 0.23 C ATOM 1386 CG GLN A 84 3.859 -0.476 11.297 1.00 0.40 C ATOM 1387 CD GLN A 84 3.962 0.004 12.739 1.00 0.79 C ATOM 1388 OE1 GLN A 84 2.999 0.538 13.286 1.00 1.13 O ATOM 1389 NE2 GLN A 84 5.114 -0.193 13.372 1.00 1.48 N ATOM 0 H GLN A 84 5.446 -0.866 9.017 1.00 0.23 H new ATOM 0 HA GLN A 84 2.689 -0.220 8.905 1.00 0.23 H new ATOM 0 HB2 GLN A 84 5.081 1.020 10.332 1.00 0.23 H new ATOM 0 HB3 GLN A 84 3.424 1.523 10.605 1.00 0.23 H new ATOM 0 HG2 GLN A 84 2.887 -0.941 11.136 1.00 0.40 H new ATOM 0 HG3 GLN A 84 4.613 -1.241 11.112 1.00 0.40 H new ATOM 0 HE21 GLN A 84 5.893 -0.639 12.887 1.00 1.48 H new ATOM 0 HE22 GLN A 84 5.220 0.102 14.343 1.00 1.48 H new ATOM 1398 N VAL A 85 2.516 2.113 7.842 1.00 0.23 N ATOM 1399 CA VAL A 85 2.373 3.210 6.900 1.00 0.24 C ATOM 1400 C VAL A 85 2.042 4.497 7.650 1.00 0.27 C ATOM 1401 O VAL A 85 1.391 4.453 8.693 1.00 0.31 O ATOM 1402 CB VAL A 85 1.296 2.842 5.876 1.00 0.24 C ATOM 1403 CG1 VAL A 85 1.698 1.605 5.069 1.00 0.24 C ATOM 1404 CG2 VAL A 85 -0.058 2.595 6.536 1.00 0.25 C ATOM 0 H VAL A 85 1.677 1.912 8.386 1.00 0.23 H new ATOM 0 HA VAL A 85 3.307 3.383 6.365 1.00 0.24 H new ATOM 0 HB VAL A 85 1.204 3.696 5.204 1.00 0.24 H new ATOM 0 HG11 VAL A 85 0.913 1.369 4.350 1.00 0.24 H new ATOM 0 HG12 VAL A 85 2.629 1.804 4.538 1.00 0.24 H new ATOM 0 HG13 VAL A 85 1.839 0.760 5.744 1.00 0.24 H new ATOM 0 HG21 VAL A 85 -0.793 2.337 5.773 1.00 0.25 H new ATOM 0 HG22 VAL A 85 0.029 1.775 7.249 1.00 0.25 H new ATOM 0 HG23 VAL A 85 -0.378 3.497 7.058 1.00 0.25 H new ATOM 1414 N CYS A 86 2.463 5.648 7.118 1.00 0.27 N ATOM 1415 CA CYS A 86 2.055 6.940 7.644 1.00 0.29 C ATOM 1416 C CYS A 86 1.842 7.888 6.467 1.00 0.30 C ATOM 1417 O CYS A 86 2.756 8.614 6.083 1.00 0.39 O ATOM 1418 CB CYS A 86 3.113 7.473 8.613 1.00 0.35 C ATOM 1419 SG CYS A 86 2.398 8.786 9.637 1.00 0.49 S ATOM 0 H CYS A 86 3.092 5.704 6.317 1.00 0.27 H new ATOM 0 HA CYS A 86 1.124 6.850 8.203 1.00 0.29 H new ATOM 0 HB2 CYS A 86 3.481 6.665 9.245 1.00 0.35 H new ATOM 0 HB3 CYS A 86 3.968 7.857 8.057 1.00 0.35 H new ATOM 0 HG CYS A 86 3.299 9.234 10.460 1.00 0.49 H new ATOM 1425 N LEU A 87 0.654 7.855 5.857 1.00 0.24 N ATOM 1426 CA LEU A 87 0.303 8.718 4.742 1.00 0.24 C ATOM 1427 C LEU A 87 -0.867 9.590 5.175 1.00 0.23 C ATOM 1428 O LEU A 87 -1.699 9.139 5.962 1.00 0.23 O ATOM 1429 CB LEU A 87 -0.133 7.894 3.522 1.00 0.21 C ATOM 1430 CG LEU A 87 0.909 6.972 2.888 1.00 0.22 C ATOM 1431 CD1 LEU A 87 2.277 7.631 2.769 1.00 0.25 C ATOM 1432 CD2 LEU A 87 1.054 5.639 3.613 1.00 0.25 C ATOM 0 H LEU A 87 -0.095 7.219 6.132 1.00 0.24 H new ATOM 0 HA LEU A 87 1.172 9.316 4.466 1.00 0.24 H new ATOM 0 HB2 LEU A 87 -0.988 7.285 3.815 1.00 0.21 H new ATOM 0 HB3 LEU A 87 -0.482 8.586 2.755 1.00 0.21 H new ATOM 0 HG LEU A 87 0.525 6.773 1.887 1.00 0.22 H new ATOM 0 HD11 LEU A 87 2.979 6.933 2.313 1.00 0.25 H new ATOM 0 HD12 LEU A 87 2.198 8.524 2.149 1.00 0.25 H new ATOM 0 HD13 LEU A 87 2.635 7.909 3.761 1.00 0.25 H new ATOM 0 HD21 LEU A 87 1.809 5.033 3.112 1.00 0.25 H new ATOM 0 HD22 LEU A 87 1.357 5.817 4.645 1.00 0.25 H new ATOM 0 HD23 LEU A 87 0.100 5.113 3.601 1.00 0.25 H new ATOM 1444 N PRO A 88 -1.013 10.795 4.611 1.00 0.24 N ATOM 1445 CA PRO A 88 -2.102 11.692 4.955 1.00 0.25 C ATOM 1446 C PRO A 88 -3.478 11.090 4.654 1.00 0.30 C ATOM 1447 O PRO A 88 -4.461 11.494 5.256 1.00 0.45 O ATOM 1448 CB PRO A 88 -1.832 12.994 4.196 1.00 0.27 C ATOM 1449 CG PRO A 88 -0.927 12.566 3.041 1.00 0.27 C ATOM 1450 CD PRO A 88 -0.128 11.407 3.633 1.00 0.25 C ATOM 0 HA PRO A 88 -2.134 11.877 6.029 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.756 13.444 3.834 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -1.345 13.733 4.832 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.505 12.254 2.171 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -0.277 13.379 2.717 1.00 0.27 H new ATOM 0 HD2 PRO A 88 0.161 10.693 2.862 1.00 0.25 H new ATOM 0 HD3 PRO A 88 0.791 11.760 4.100 1.00 0.25 H new ATOM 1458 N VAL A 89 -3.574 10.091 3.778 1.00 0.23 N ATOM 1459 CA VAL A 89 -4.856 9.459 3.464 1.00 0.22 C ATOM 1460 C VAL A 89 -5.466 8.753 4.679 1.00 0.22 C ATOM 1461 O VAL A 89 -6.682 8.584 4.743 1.00 0.24 O ATOM 1462 CB VAL A 89 -4.726 8.505 2.261 1.00 0.21 C ATOM 1463 CG1 VAL A 89 -4.478 9.321 0.989 1.00 0.22 C ATOM 1464 CG2 VAL A 89 -3.588 7.495 2.438 1.00 0.21 C ATOM 0 H VAL A 89 -2.779 9.701 3.272 1.00 0.23 H new ATOM 0 HA VAL A 89 -5.546 10.255 3.185 1.00 0.22 H new ATOM 0 HB VAL A 89 -5.658 7.945 2.186 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -4.386 8.648 0.137 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.313 10.002 0.825 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -3.558 9.895 1.099 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -3.538 6.846 1.564 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -2.643 8.027 2.549 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -3.772 6.892 3.327 1.00 0.21 H new ATOM 1474 N ILE A 90 -4.631 8.318 5.628 1.00 0.21 N ATOM 1475 CA ILE A 90 -5.059 7.644 6.850 1.00 0.21 C ATOM 1476 C ILE A 90 -4.414 8.273 8.083 1.00 0.22 C ATOM 1477 O ILE A 90 -4.450 7.692 9.166 1.00 0.24 O ATOM 1478 CB ILE A 90 -4.761 6.139 6.748 1.00 0.18 C ATOM 1479 CG1 ILE A 90 -3.264 5.883 6.495 1.00 0.19 C ATOM 1480 CG2 ILE A 90 -5.624 5.562 5.620 1.00 0.16 C ATOM 1481 CD1 ILE A 90 -2.949 4.407 6.274 1.00 0.22 C ATOM 0 H ILE A 90 -3.619 8.429 5.563 1.00 0.21 H new ATOM 0 HA ILE A 90 -6.136 7.769 6.964 1.00 0.21 H new ATOM 0 HB ILE A 90 -5.004 5.647 7.689 1.00 0.18 H new ATOM 0 HG12 ILE A 90 -2.944 6.453 5.623 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -2.688 6.250 7.344 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -5.432 4.493 5.525 1.00 0.16 H new ATOM 0 HG22 ILE A 90 -6.677 5.723 5.849 1.00 0.16 H new ATOM 0 HG23 ILE A 90 -5.377 6.059 4.682 1.00 0.16 H new ATOM 0 HD11 ILE A 90 -1.880 4.285 6.100 1.00 0.22 H new ATOM 0 HD12 ILE A 90 -3.241 3.837 7.156 1.00 0.22 H new ATOM 0 HD13 ILE A 90 -3.501 4.043 5.407 1.00 0.22 H new ATOM 1493 N SER A 91 -3.815 9.453 7.939 1.00 0.26 N ATOM 1494 CA SER A 91 -3.224 10.129 9.078 1.00 0.29 C ATOM 1495 C SER A 91 -4.349 10.571 10.011 1.00 0.32 C ATOM 1496 O SER A 91 -5.428 10.931 9.547 1.00 0.41 O ATOM 1497 CB SER A 91 -2.399 11.312 8.577 1.00 0.37 C ATOM 1498 OG SER A 91 -1.937 12.066 9.682 1.00 0.61 O ATOM 0 H SER A 91 -3.729 9.952 7.053 1.00 0.26 H new ATOM 0 HA SER A 91 -2.557 9.469 9.633 1.00 0.29 H new ATOM 0 HB2 SER A 91 -1.554 10.956 7.987 1.00 0.37 H new ATOM 0 HB3 SER A 91 -3.004 11.939 7.922 1.00 0.37 H new ATOM 0 HG SER A 91 -1.406 12.825 9.361 1.00 0.61 H new ATOM 1504 N ALA A 92 -4.103 10.577 11.323 1.00 0.33 N ATOM 1505 CA ALA A 92 -5.102 10.990 12.301 1.00 0.37 C ATOM 1506 C ALA A 92 -5.536 12.434 12.048 1.00 0.39 C ATOM 1507 O ALA A 92 -6.723 12.745 12.085 1.00 0.38 O ATOM 1508 CB ALA A 92 -4.541 10.822 13.715 1.00 0.43 C ATOM 0 H ALA A 92 -3.211 10.297 11.731 1.00 0.33 H new ATOM 0 HA ALA A 92 -5.984 10.357 12.201 1.00 0.37 H new ATOM 0 HB1 ALA A 92 -5.291 11.132 14.443 1.00 0.43 H new ATOM 0 HB2 ALA A 92 -4.283 9.776 13.882 1.00 0.43 H new ATOM 0 HB3 ALA A 92 -3.649 11.438 13.828 1.00 0.43 H new ATOM 1514 N GLU A 93 -4.580 13.314 11.752 1.00 0.46 N ATOM 1515 CA GLU A 93 -4.845 14.722 11.465 1.00 0.53 C ATOM 1516 C GLU A 93 -5.678 14.892 10.192 1.00 0.49 C ATOM 1517 O GLU A 93 -6.271 15.943 9.968 1.00 0.64 O ATOM 1518 CB GLU A 93 -3.511 15.458 11.316 1.00 0.69 C ATOM 1519 CG GLU A 93 -2.760 15.511 12.650 1.00 1.00 C ATOM 1520 CD GLU A 93 -1.336 16.023 12.447 1.00 1.92 C ATOM 1521 OE1 GLU A 93 -0.593 15.333 11.714 1.00 3.17 O ATOM 1522 OE2 GLU A 93 -1.016 17.088 13.018 1.00 2.27 O ATOM 0 H GLU A 93 -3.592 13.067 11.704 1.00 0.46 H new ATOM 0 HA GLU A 93 -5.419 15.141 12.291 1.00 0.53 H new ATOM 0 HB2 GLU A 93 -2.896 14.956 10.569 1.00 0.69 H new ATOM 0 HB3 GLU A 93 -3.689 16.471 10.955 1.00 0.69 H new ATOM 0 HG2 GLU A 93 -3.290 16.161 13.346 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -2.734 14.518 13.098 1.00 1.00 H new ATOM 1529 N ASN A 94 -5.724 13.863 9.346 1.00 0.41 N ATOM 1530 CA ASN A 94 -6.467 13.864 8.097 1.00 0.43 C ATOM 1531 C ASN A 94 -7.494 12.732 8.122 1.00 0.39 C ATOM 1532 O ASN A 94 -7.912 12.238 7.075 1.00 0.48 O ATOM 1533 CB ASN A 94 -5.490 13.693 6.930 1.00 0.54 C ATOM 1534 CG ASN A 94 -4.618 14.913 6.680 1.00 0.89 C ATOM 1535 OD1 ASN A 94 -4.836 15.655 5.729 1.00 1.62 O ATOM 1536 ND2 ASN A 94 -3.612 15.143 7.514 1.00 1.03 N ATOM 0 H ASN A 94 -5.232 12.987 9.519 1.00 0.41 H new ATOM 0 HA ASN A 94 -6.996 14.809 7.971 1.00 0.43 H new ATOM 0 HB2 ASN A 94 -4.849 12.833 7.127 1.00 0.54 H new ATOM 0 HB3 ASN A 94 -6.054 13.469 6.025 1.00 0.54 H new ATOM 0 HD21 ASN A 94 -3.004 15.949 7.369 1.00 1.03 H new ATOM 0 HD22 ASN A 94 -3.447 14.514 8.300 1.00 1.03 H new ATOM 1543 N TRP A 95 -7.943 12.320 9.310 1.00 0.34 N ATOM 1544 CA TRP A 95 -8.973 11.308 9.424 1.00 0.35 C ATOM 1545 C TRP A 95 -10.261 11.878 8.838 1.00 0.39 C ATOM 1546 O TRP A 95 -10.908 12.737 9.434 1.00 0.49 O ATOM 1547 CB TRP A 95 -9.137 10.897 10.890 1.00 0.34 C ATOM 1548 CG TRP A 95 -10.425 10.224 11.260 1.00 0.36 C ATOM 1549 CD1 TRP A 95 -11.070 9.249 10.574 1.00 0.33 C ATOM 1550 CD2 TRP A 95 -11.269 10.528 12.408 1.00 0.51 C ATOM 1551 NE1 TRP A 95 -12.264 8.954 11.204 1.00 0.40 N ATOM 1552 CE2 TRP A 95 -12.453 9.742 12.323 1.00 0.53 C ATOM 1553 CE3 TRP A 95 -11.154 11.409 13.504 1.00 0.68 C ATOM 1554 CZ2 TRP A 95 -13.490 9.861 13.261 1.00 0.70 C ATOM 1555 CZ3 TRP A 95 -12.173 11.510 14.468 1.00 0.85 C ATOM 1556 CH2 TRP A 95 -13.342 10.743 14.344 1.00 0.86 C ATOM 0 H TRP A 95 -7.603 12.678 10.203 1.00 0.34 H new ATOM 0 HA TRP A 95 -8.704 10.408 8.871 1.00 0.35 H new ATOM 0 HB2 TRP A 95 -8.317 10.228 11.150 1.00 0.34 H new ATOM 0 HB3 TRP A 95 -9.029 11.789 11.508 1.00 0.34 H new ATOM 0 HD1 TRP A 95 -10.707 8.776 9.674 1.00 0.33 H new ATOM 0 HE1 TRP A 95 -12.923 8.244 10.883 1.00 0.40 H new ATOM 0 HE3 TRP A 95 -10.267 12.017 13.605 1.00 0.68 H new ATOM 0 HZ2 TRP A 95 -14.394 9.280 13.151 1.00 0.70 H new ATOM 0 HZ3 TRP A 95 -12.056 12.180 15.307 1.00 0.85 H new ATOM 0 HH2 TRP A 95 -14.127 10.831 15.081 1.00 0.86 H new ATOM 1567 N LYS A 96 -10.637 11.399 7.653 1.00 0.41 N ATOM 1568 CA LYS A 96 -11.874 11.773 6.994 1.00 0.49 C ATOM 1569 C LYS A 96 -12.715 10.510 6.896 1.00 0.46 C ATOM 1570 O LYS A 96 -12.343 9.614 6.146 1.00 0.45 O ATOM 1571 CB LYS A 96 -11.578 12.336 5.593 1.00 0.60 C ATOM 1572 CG LYS A 96 -11.530 13.868 5.556 1.00 0.76 C ATOM 1573 CD LYS A 96 -10.443 14.453 6.461 1.00 0.92 C ATOM 1574 CE LYS A 96 -10.218 15.938 6.174 1.00 1.34 C ATOM 1575 NZ LYS A 96 -11.385 16.766 6.551 1.00 2.87 N ATOM 0 H LYS A 96 -10.079 10.731 7.122 1.00 0.41 H new ATOM 0 HA LYS A 96 -12.401 12.547 7.552 1.00 0.49 H new ATOM 0 HB2 LYS A 96 -10.624 11.940 5.243 1.00 0.60 H new ATOM 0 HB3 LYS A 96 -12.342 11.986 4.899 1.00 0.60 H new ATOM 0 HG2 LYS A 96 -11.357 14.196 4.531 1.00 0.76 H new ATOM 0 HG3 LYS A 96 -12.499 14.264 5.859 1.00 0.76 H new ATOM 0 HD2 LYS A 96 -10.727 14.322 7.505 1.00 0.92 H new ATOM 0 HD3 LYS A 96 -9.511 13.907 6.313 1.00 0.92 H new ATOM 0 HE2 LYS A 96 -9.340 16.282 6.720 1.00 1.34 H new ATOM 0 HE3 LYS A 96 -10.007 16.073 5.113 1.00 1.34 H new ATOM 0 HZ1 LYS A 96 -11.186 17.764 6.338 1.00 2.87 H new ATOM 0 HZ2 LYS A 96 -12.219 16.457 6.012 1.00 2.87 H new ATOM 0 HZ3 LYS A 96 -11.572 16.660 7.569 1.00 2.87 H new ATOM 1589 N PRO A 97 -13.870 10.430 7.567 1.00 0.48 N ATOM 1590 CA PRO A 97 -14.747 9.275 7.456 1.00 0.48 C ATOM 1591 C PRO A 97 -15.350 9.150 6.052 1.00 0.53 C ATOM 1592 O PRO A 97 -15.881 8.106 5.690 1.00 0.66 O ATOM 1593 CB PRO A 97 -15.802 9.470 8.546 1.00 0.51 C ATOM 1594 CG PRO A 97 -15.862 10.986 8.725 1.00 0.55 C ATOM 1595 CD PRO A 97 -14.419 11.420 8.477 1.00 0.52 C ATOM 0 HA PRO A 97 -14.211 8.337 7.598 1.00 0.48 H new ATOM 0 HB2 PRO A 97 -16.768 9.064 8.246 1.00 0.51 H new ATOM 0 HB3 PRO A 97 -15.519 8.968 9.471 1.00 0.51 H new ATOM 0 HG2 PRO A 97 -16.550 11.449 8.017 1.00 0.55 H new ATOM 0 HG3 PRO A 97 -16.200 11.261 9.724 1.00 0.55 H new ATOM 0 HD2 PRO A 97 -14.378 12.419 8.042 1.00 0.52 H new ATOM 0 HD3 PRO A 97 -13.853 11.454 9.408 1.00 0.52 H new ATOM 1603 N ALA A 98 -15.260 10.196 5.230 1.00 0.56 N ATOM 1604 CA ALA A 98 -15.657 10.117 3.834 1.00 0.62 C ATOM 1605 C ALA A 98 -14.712 9.231 3.010 1.00 0.66 C ATOM 1606 O ALA A 98 -15.159 8.654 2.014 1.00 0.86 O ATOM 1607 CB ALA A 98 -15.694 11.532 3.260 1.00 0.61 C ATOM 0 H ALA A 98 -14.912 11.112 5.515 1.00 0.56 H new ATOM 0 HA ALA A 98 -16.643 9.656 3.779 1.00 0.62 H new ATOM 0 HB1 ALA A 98 -15.990 11.492 2.212 1.00 0.61 H new ATOM 0 HB2 ALA A 98 -16.413 12.132 3.818 1.00 0.61 H new ATOM 0 HB3 ALA A 98 -14.705 11.983 3.340 1.00 0.61 H new ATOM 1613 N THR A 99 -13.423 9.182 3.382 1.00 0.54 N ATOM 1614 CA THR A 99 -12.379 8.540 2.589 1.00 0.49 C ATOM 1615 C THR A 99 -12.606 7.037 2.497 1.00 0.38 C ATOM 1616 O THR A 99 -13.437 6.477 3.210 1.00 0.43 O ATOM 1617 CB THR A 99 -10.975 8.863 3.130 1.00 0.49 C ATOM 1618 OG1 THR A 99 -10.077 8.774 2.049 1.00 0.59 O ATOM 1619 CG2 THR A 99 -10.466 7.911 4.218 1.00 0.45 C ATOM 0 H THR A 99 -13.080 9.592 4.250 1.00 0.54 H new ATOM 0 HA THR A 99 -12.437 8.948 1.580 1.00 0.49 H new ATOM 0 HB THR A 99 -11.039 9.852 3.583 1.00 0.49 H new ATOM 0 HG1 THR A 99 -9.170 8.976 2.360 1.00 0.59 H new ATOM 0 HG21 THR A 99 -9.470 8.220 4.535 1.00 0.45 H new ATOM 0 HG22 THR A 99 -11.143 7.939 5.072 1.00 0.45 H new ATOM 0 HG23 THR A 99 -10.422 6.896 3.822 1.00 0.45 H new ATOM 1627 N LYS A 100 -11.851 6.382 1.616 1.00 0.36 N ATOM 1628 CA LYS A 100 -12.094 5.001 1.245 1.00 0.35 C ATOM 1629 C LYS A 100 -10.812 4.326 0.819 1.00 0.31 C ATOM 1630 O LYS A 100 -9.764 4.950 0.659 1.00 0.28 O ATOM 1631 CB LYS A 100 -13.079 4.977 0.075 1.00 0.65 C ATOM 1632 CG LYS A 100 -14.510 4.821 0.566 1.00 1.38 C ATOM 1633 CD LYS A 100 -15.369 5.813 -0.200 1.00 1.73 C ATOM 1634 CE LYS A 100 -16.809 5.616 0.246 1.00 2.33 C ATOM 1635 NZ LYS A 100 -17.456 6.926 0.405 1.00 3.31 N ATOM 0 H LYS A 100 -11.052 6.802 1.141 1.00 0.36 H new ATOM 0 HA LYS A 100 -12.499 4.469 2.106 1.00 0.35 H new ATOM 0 HB2 LYS A 100 -12.987 5.898 -0.500 1.00 0.65 H new ATOM 0 HB3 LYS A 100 -12.830 4.155 -0.597 1.00 0.65 H new ATOM 0 HG2 LYS A 100 -14.862 3.803 0.402 1.00 1.38 H new ATOM 0 HG3 LYS A 100 -14.570 5.010 1.638 1.00 1.38 H new ATOM 0 HD2 LYS A 100 -15.043 6.834 -0.002 1.00 1.73 H new ATOM 0 HD3 LYS A 100 -15.275 5.651 -1.274 1.00 1.73 H new ATOM 0 HE2 LYS A 100 -17.350 5.018 -0.488 1.00 2.33 H new ATOM 0 HE3 LYS A 100 -16.838 5.068 1.188 1.00 2.33 H new ATOM 0 HZ1 LYS A 100 -18.339 6.814 0.944 1.00 3.31 H new ATOM 0 HZ2 LYS A 100 -16.818 7.569 0.916 1.00 3.31 H new ATOM 0 HZ3 LYS A 100 -17.670 7.323 -0.532 1.00 3.31 H new ATOM 1649 N THR A 101 -10.922 3.021 0.618 1.00 0.33 N ATOM 1650 CA THR A 101 -9.834 2.190 0.175 1.00 0.31 C ATOM 1651 C THR A 101 -9.300 2.583 -1.187 1.00 0.28 C ATOM 1652 O THR A 101 -8.151 2.275 -1.469 1.00 0.29 O ATOM 1653 CB THR A 101 -10.297 0.746 0.106 1.00 0.36 C ATOM 1654 OG1 THR A 101 -11.646 0.718 -0.324 1.00 0.55 O ATOM 1655 CG2 THR A 101 -10.207 0.107 1.486 1.00 0.49 C ATOM 0 H THR A 101 -11.792 2.509 0.764 1.00 0.33 H new ATOM 0 HA THR A 101 -9.029 2.320 0.898 1.00 0.31 H new ATOM 0 HB THR A 101 -9.664 0.196 -0.590 1.00 0.36 H new ATOM 0 HG1 THR A 101 -12.021 -0.174 -0.167 1.00 0.55 H new ATOM 0 HG21 THR A 101 -10.541 -0.929 1.430 1.00 0.49 H new ATOM 0 HG22 THR A 101 -9.175 0.137 1.834 1.00 0.49 H new ATOM 0 HG23 THR A 101 -10.841 0.655 2.183 1.00 0.49 H new ATOM 1663 N ASP A 102 -10.090 3.226 -2.045 1.00 0.29 N ATOM 1664 CA ASP A 102 -9.562 3.740 -3.297 1.00 0.27 C ATOM 1665 C ASP A 102 -8.457 4.743 -2.980 1.00 0.26 C ATOM 1666 O ASP A 102 -7.354 4.636 -3.510 1.00 0.30 O ATOM 1667 CB ASP A 102 -10.683 4.335 -4.161 1.00 0.33 C ATOM 1668 CG ASP A 102 -11.216 5.642 -3.578 1.00 0.94 C ATOM 1669 OD1 ASP A 102 -11.208 6.666 -4.291 1.00 1.85 O ATOM 1670 OD2 ASP A 102 -11.538 5.608 -2.369 1.00 2.41 O ATOM 0 H ASP A 102 -11.084 3.399 -1.895 1.00 0.29 H new ATOM 0 HA ASP A 102 -9.131 2.933 -3.889 1.00 0.27 H new ATOM 0 HB2 ASP A 102 -10.309 4.513 -5.169 1.00 0.33 H new ATOM 0 HB3 ASP A 102 -11.498 3.616 -4.245 1.00 0.33 H new ATOM 1675 N GLN A 103 -8.719 5.667 -2.052 1.00 0.24 N ATOM 1676 CA GLN A 103 -7.776 6.694 -1.652 1.00 0.24 C ATOM 1677 C GLN A 103 -6.599 6.086 -0.914 1.00 0.22 C ATOM 1678 O GLN A 103 -5.476 6.570 -1.049 1.00 0.24 O ATOM 1679 CB GLN A 103 -8.460 7.777 -0.809 1.00 0.25 C ATOM 1680 CG GLN A 103 -9.734 8.247 -1.519 1.00 0.26 C ATOM 1681 CD GLN A 103 -10.268 9.580 -1.011 1.00 0.32 C ATOM 1682 OE1 GLN A 103 -9.531 10.454 -0.570 1.00 1.08 O ATOM 1683 NE2 GLN A 103 -11.582 9.759 -1.081 1.00 1.39 N ATOM 0 H GLN A 103 -9.608 5.716 -1.555 1.00 0.24 H new ATOM 0 HA GLN A 103 -7.396 7.172 -2.555 1.00 0.24 H new ATOM 0 HB2 GLN A 103 -8.704 7.384 0.178 1.00 0.25 H new ATOM 0 HB3 GLN A 103 -7.783 8.618 -0.659 1.00 0.25 H new ATOM 0 HG2 GLN A 103 -9.533 8.331 -2.587 1.00 0.26 H new ATOM 0 HG3 GLN A 103 -10.507 7.488 -1.398 1.00 0.26 H new ATOM 0 HE21 GLN A 103 -12.178 9.019 -1.451 1.00 1.39 H new ATOM 0 HE22 GLN A 103 -11.995 10.636 -0.764 1.00 1.39 H new ATOM 1692 N VAL A 104 -6.834 5.025 -0.143 1.00 0.23 N ATOM 1693 CA VAL A 104 -5.751 4.392 0.578 1.00 0.22 C ATOM 1694 C VAL A 104 -4.793 3.740 -0.415 1.00 0.22 C ATOM 1695 O VAL A 104 -3.606 4.057 -0.442 1.00 0.22 O ATOM 1696 CB VAL A 104 -6.333 3.404 1.594 1.00 0.24 C ATOM 1697 CG1 VAL A 104 -5.206 2.607 2.221 1.00 0.23 C ATOM 1698 CG2 VAL A 104 -7.069 4.165 2.700 1.00 0.24 C ATOM 0 H VAL A 104 -7.750 4.598 -0.008 1.00 0.23 H new ATOM 0 HA VAL A 104 -5.172 5.125 1.140 1.00 0.22 H new ATOM 0 HB VAL A 104 -7.028 2.738 1.083 1.00 0.24 H new ATOM 0 HG11 VAL A 104 -5.617 1.903 2.945 1.00 0.23 H new ATOM 0 HG12 VAL A 104 -4.672 2.059 1.445 1.00 0.23 H new ATOM 0 HG13 VAL A 104 -4.518 3.285 2.725 1.00 0.23 H new ATOM 0 HG21 VAL A 104 -7.480 3.456 3.418 1.00 0.24 H new ATOM 0 HG22 VAL A 104 -6.373 4.833 3.207 1.00 0.24 H new ATOM 0 HG23 VAL A 104 -7.879 4.749 2.263 1.00 0.24 H new ATOM 1708 N ILE A 105 -5.309 2.823 -1.228 1.00 0.21 N ATOM 1709 CA ILE A 105 -4.522 1.986 -2.115 1.00 0.17 C ATOM 1710 C ILE A 105 -3.779 2.860 -3.103 1.00 0.15 C ATOM 1711 O ILE A 105 -2.571 2.696 -3.276 1.00 0.15 O ATOM 1712 CB ILE A 105 -5.430 0.958 -2.819 1.00 0.15 C ATOM 1713 CG1 ILE A 105 -5.675 -0.212 -1.861 1.00 0.16 C ATOM 1714 CG2 ILE A 105 -4.900 0.427 -4.160 1.00 0.16 C ATOM 1715 CD1 ILE A 105 -4.384 -0.931 -1.430 1.00 0.19 C ATOM 0 H ILE A 105 -6.311 2.640 -1.286 1.00 0.21 H new ATOM 0 HA ILE A 105 -3.784 1.425 -1.541 1.00 0.17 H new ATOM 0 HB ILE A 105 -6.351 1.485 -3.068 1.00 0.15 H new ATOM 0 HG12 ILE A 105 -6.190 0.156 -0.974 1.00 0.16 H new ATOM 0 HG13 ILE A 105 -6.340 -0.931 -2.340 1.00 0.16 H new ATOM 0 HG21 ILE A 105 -5.610 -0.289 -4.574 1.00 0.16 H new ATOM 0 HG22 ILE A 105 -4.774 1.257 -4.856 1.00 0.16 H new ATOM 0 HG23 ILE A 105 -3.940 -0.064 -4.003 1.00 0.16 H new ATOM 0 HD11 ILE A 105 -4.631 -1.748 -0.752 1.00 0.19 H new ATOM 0 HD12 ILE A 105 -3.878 -1.329 -2.310 1.00 0.19 H new ATOM 0 HD13 ILE A 105 -3.727 -0.225 -0.922 1.00 0.19 H new ATOM 1727 N GLN A 106 -4.490 3.796 -3.736 1.00 0.15 N ATOM 1728 CA GLN A 106 -3.850 4.704 -4.675 1.00 0.16 C ATOM 1729 C GLN A 106 -2.713 5.455 -3.990 1.00 0.16 C ATOM 1730 O GLN A 106 -1.736 5.765 -4.650 1.00 0.19 O ATOM 1731 CB GLN A 106 -4.856 5.639 -5.365 1.00 0.24 C ATOM 1732 CG GLN A 106 -5.412 6.752 -4.468 1.00 0.56 C ATOM 1733 CD GLN A 106 -4.480 7.952 -4.307 1.00 1.21 C ATOM 1734 OE1 GLN A 106 -3.982 8.504 -5.279 1.00 1.89 O ATOM 1735 NE2 GLN A 106 -4.230 8.380 -3.076 1.00 2.07 N ATOM 0 H GLN A 106 -5.493 3.940 -3.615 1.00 0.15 H new ATOM 0 HA GLN A 106 -3.415 4.111 -5.479 1.00 0.16 H new ATOM 0 HB2 GLN A 106 -4.374 6.094 -6.230 1.00 0.24 H new ATOM 0 HB3 GLN A 106 -5.688 5.043 -5.740 1.00 0.24 H new ATOM 0 HG2 GLN A 106 -6.360 7.096 -4.881 1.00 0.56 H new ATOM 0 HG3 GLN A 106 -5.625 6.337 -3.483 1.00 0.56 H new ATOM 0 HE21 GLN A 106 -4.653 7.909 -2.276 1.00 2.07 H new ATOM 0 HE22 GLN A 106 -3.615 9.180 -2.929 1.00 2.07 H new ATOM 1744 N SER A 107 -2.803 5.722 -2.684 1.00 0.15 N ATOM 1745 CA SER A 107 -1.719 6.323 -1.933 1.00 0.16 C ATOM 1746 C SER A 107 -0.525 5.385 -1.897 1.00 0.13 C ATOM 1747 O SER A 107 0.564 5.819 -2.245 1.00 0.15 O ATOM 1748 CB SER A 107 -2.137 6.678 -0.507 1.00 0.19 C ATOM 1749 OG SER A 107 -1.473 7.855 -0.085 1.00 0.39 O ATOM 0 H SER A 107 -3.633 5.524 -2.126 1.00 0.15 H new ATOM 0 HA SER A 107 -1.447 7.248 -2.441 1.00 0.16 H new ATOM 0 HB2 SER A 107 -3.216 6.824 -0.462 1.00 0.19 H new ATOM 0 HB3 SER A 107 -1.898 5.855 0.166 1.00 0.19 H new ATOM 0 HG SER A 107 -1.202 7.760 0.852 1.00 0.39 H new ATOM 1755 N LEU A 108 -0.673 4.125 -1.464 1.00 0.12 N ATOM 1756 CA LEU A 108 0.500 3.258 -1.406 1.00 0.12 C ATOM 1757 C LEU A 108 1.162 3.219 -2.763 1.00 0.13 C ATOM 1758 O LEU A 108 2.365 3.380 -2.849 1.00 0.15 O ATOM 1759 CB LEU A 108 0.196 1.806 -1.035 1.00 0.13 C ATOM 1760 CG LEU A 108 -0.214 1.528 0.410 1.00 0.16 C ATOM 1761 CD1 LEU A 108 0.329 2.539 1.414 1.00 0.18 C ATOM 1762 CD2 LEU A 108 -1.721 1.412 0.531 1.00 0.23 C ATOM 0 H LEU A 108 -1.551 3.703 -1.163 1.00 0.12 H new ATOM 0 HA LEU A 108 1.132 3.685 -0.627 1.00 0.12 H new ATOM 0 HB2 LEU A 108 -0.601 1.450 -1.687 1.00 0.13 H new ATOM 0 HB3 LEU A 108 1.080 1.208 -1.257 1.00 0.13 H new ATOM 0 HG LEU A 108 0.245 0.573 0.668 1.00 0.16 H new ATOM 0 HD11 LEU A 108 -0.006 2.272 2.416 1.00 0.18 H new ATOM 0 HD12 LEU A 108 1.419 2.534 1.382 1.00 0.18 H new ATOM 0 HD13 LEU A 108 -0.037 3.534 1.162 1.00 0.18 H new ATOM 0 HD21 LEU A 108 -1.989 1.214 1.569 1.00 0.23 H new ATOM 0 HD22 LEU A 108 -2.185 2.344 0.208 1.00 0.23 H new ATOM 0 HD23 LEU A 108 -2.075 0.594 -0.097 1.00 0.23 H new ATOM 1774 N ILE A 109 0.393 3.011 -3.823 1.00 0.14 N ATOM 1775 CA ILE A 109 0.940 2.972 -5.166 1.00 0.15 C ATOM 1776 C ILE A 109 1.650 4.287 -5.456 1.00 0.16 C ATOM 1777 O ILE A 109 2.779 4.273 -5.926 1.00 0.21 O ATOM 1778 CB ILE A 109 -0.192 2.670 -6.149 1.00 0.16 C ATOM 1779 CG1 ILE A 109 -0.636 1.222 -5.898 1.00 0.15 C ATOM 1780 CG2 ILE A 109 0.240 2.815 -7.615 1.00 0.19 C ATOM 1781 CD1 ILE A 109 -2.094 1.029 -6.285 1.00 0.16 C ATOM 0 H ILE A 109 -0.616 2.866 -3.775 1.00 0.14 H new ATOM 0 HA ILE A 109 1.683 2.181 -5.272 1.00 0.15 H new ATOM 0 HB ILE A 109 -0.997 3.386 -5.986 1.00 0.16 H new ATOM 0 HG12 ILE A 109 -0.009 0.540 -6.473 1.00 0.15 H new ATOM 0 HG13 ILE A 109 -0.498 0.972 -4.846 1.00 0.15 H new ATOM 0 HG21 ILE A 109 -0.604 2.589 -8.267 1.00 0.19 H new ATOM 0 HG22 ILE A 109 0.575 3.836 -7.796 1.00 0.19 H new ATOM 0 HG23 ILE A 109 1.056 2.123 -7.824 1.00 0.19 H new ATOM 0 HD11 ILE A 109 -2.386 -0.004 -6.098 1.00 0.16 H new ATOM 0 HD12 ILE A 109 -2.719 1.696 -5.691 1.00 0.16 H new ATOM 0 HD13 ILE A 109 -2.223 1.257 -7.343 1.00 0.16 H new ATOM 1793 N ALA A 110 1.016 5.415 -5.166 1.00 0.15 N ATOM 1794 CA ALA A 110 1.524 6.743 -5.452 1.00 0.17 C ATOM 1795 C ALA A 110 2.878 6.972 -4.785 1.00 0.16 C ATOM 1796 O ALA A 110 3.741 7.593 -5.380 1.00 0.19 O ATOM 1797 CB ALA A 110 0.489 7.786 -5.013 1.00 0.18 C ATOM 0 H ALA A 110 0.104 5.427 -4.710 1.00 0.15 H new ATOM 0 HA ALA A 110 1.685 6.843 -6.525 1.00 0.17 H new ATOM 0 HB1 ALA A 110 0.867 8.786 -5.226 1.00 0.18 H new ATOM 0 HB2 ALA A 110 -0.442 7.626 -5.557 1.00 0.18 H new ATOM 0 HB3 ALA A 110 0.305 7.688 -3.943 1.00 0.18 H new ATOM 1803 N LEU A 111 3.074 6.461 -3.572 1.00 0.14 N ATOM 1804 CA LEU A 111 4.273 6.642 -2.764 1.00 0.15 C ATOM 1805 C LEU A 111 5.334 5.582 -3.074 1.00 0.19 C ATOM 1806 O LEU A 111 6.531 5.817 -2.945 1.00 0.36 O ATOM 1807 CB LEU A 111 3.875 6.560 -1.281 1.00 0.15 C ATOM 1808 CG LEU A 111 3.334 7.861 -0.655 1.00 0.16 C ATOM 1809 CD1 LEU A 111 3.923 9.145 -1.229 1.00 0.31 C ATOM 1810 CD2 LEU A 111 1.814 7.964 -0.717 1.00 0.25 C ATOM 0 H LEU A 111 2.371 5.886 -3.108 1.00 0.14 H new ATOM 0 HA LEU A 111 4.708 7.614 -2.996 1.00 0.15 H new ATOM 0 HB2 LEU A 111 3.117 5.784 -1.171 1.00 0.15 H new ATOM 0 HB3 LEU A 111 4.745 6.239 -0.709 1.00 0.15 H new ATOM 0 HG LEU A 111 3.661 7.778 0.381 1.00 0.16 H new ATOM 0 HD11 LEU A 111 3.481 10.005 -0.726 1.00 0.31 H new ATOM 0 HD12 LEU A 111 5.002 9.150 -1.076 1.00 0.31 H new ATOM 0 HD13 LEU A 111 3.707 9.199 -2.296 1.00 0.31 H new ATOM 0 HD21 LEU A 111 1.494 8.901 -0.261 1.00 0.25 H new ATOM 0 HD22 LEU A 111 1.490 7.937 -1.757 1.00 0.25 H new ATOM 0 HD23 LEU A 111 1.370 7.127 -0.177 1.00 0.25 H new ATOM 1822 N VAL A 112 4.910 4.379 -3.434 1.00 0.27 N ATOM 1823 CA VAL A 112 5.790 3.278 -3.791 1.00 0.27 C ATOM 1824 C VAL A 112 6.342 3.547 -5.193 1.00 0.31 C ATOM 1825 O VAL A 112 7.455 3.143 -5.519 1.00 0.42 O ATOM 1826 CB VAL A 112 4.998 1.962 -3.661 1.00 0.22 C ATOM 1827 CG1 VAL A 112 5.706 0.704 -4.166 1.00 0.27 C ATOM 1828 CG2 VAL A 112 4.728 1.690 -2.174 1.00 0.19 C ATOM 0 H VAL A 112 3.921 4.137 -3.487 1.00 0.27 H new ATOM 0 HA VAL A 112 6.650 3.188 -3.127 1.00 0.27 H new ATOM 0 HB VAL A 112 4.111 2.124 -4.274 1.00 0.22 H new ATOM 0 HG11 VAL A 112 5.057 -0.160 -4.025 1.00 0.27 H new ATOM 0 HG12 VAL A 112 5.936 0.816 -5.226 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.631 0.558 -3.608 1.00 0.27 H new ATOM 0 HG21 VAL A 112 4.168 0.761 -2.070 1.00 0.19 H new ATOM 0 HG22 VAL A 112 5.675 1.604 -1.642 1.00 0.19 H new ATOM 0 HG23 VAL A 112 4.149 2.512 -1.753 1.00 0.19 H new ATOM 1838 N ASN A 113 5.583 4.246 -6.032 1.00 0.28 N ATOM 1839 CA ASN A 113 6.047 4.670 -7.337 1.00 0.28 C ATOM 1840 C ASN A 113 6.829 5.967 -7.206 1.00 0.29 C ATOM 1841 O ASN A 113 7.917 6.074 -7.763 1.00 0.37 O ATOM 1842 CB ASN A 113 4.872 4.819 -8.307 1.00 0.36 C ATOM 1843 CG ASN A 113 4.473 3.463 -8.864 1.00 1.06 C ATOM 1844 OD1 ASN A 113 4.934 3.074 -9.926 1.00 1.82 O ATOM 1845 ND2 ASN A 113 3.669 2.687 -8.156 1.00 1.81 N ATOM 0 H ASN A 113 4.627 4.532 -5.820 1.00 0.28 H new ATOM 0 HA ASN A 113 6.711 3.908 -7.746 1.00 0.28 H new ATOM 0 HB2 ASN A 113 4.024 5.273 -7.795 1.00 0.36 H new ATOM 0 HB3 ASN A 113 5.147 5.488 -9.122 1.00 0.36 H new ATOM 0 HD21 ASN A 113 3.430 1.756 -8.496 1.00 1.81 H new ATOM 0 HD22 ASN A 113 3.289 3.020 -7.270 1.00 1.81 H new ATOM 1852 N ASP A 114 6.279 6.940 -6.478 1.00 0.25 N ATOM 1853 CA ASP A 114 6.853 8.277 -6.364 1.00 0.30 C ATOM 1854 C ASP A 114 6.862 8.725 -4.897 1.00 0.25 C ATOM 1855 O ASP A 114 5.946 9.400 -4.427 1.00 0.26 O ATOM 1856 CB ASP A 114 6.079 9.251 -7.263 1.00 0.42 C ATOM 1857 CG ASP A 114 6.845 10.561 -7.455 1.00 0.67 C ATOM 1858 OD1 ASP A 114 8.057 10.573 -7.142 1.00 0.90 O ATOM 1859 OD2 ASP A 114 6.223 11.516 -7.970 1.00 1.13 O ATOM 0 H ASP A 114 5.416 6.819 -5.948 1.00 0.25 H new ATOM 0 HA ASP A 114 7.889 8.265 -6.704 1.00 0.30 H new ATOM 0 HB2 ASP A 114 5.898 8.788 -8.233 1.00 0.42 H new ATOM 0 HB3 ASP A 114 5.104 9.459 -6.822 1.00 0.42 H new ATOM 1864 N PRO A 115 7.869 8.304 -4.121 1.00 0.30 N ATOM 1865 CA PRO A 115 7.919 8.576 -2.694 1.00 0.32 C ATOM 1866 C PRO A 115 8.224 10.049 -2.439 1.00 0.31 C ATOM 1867 O PRO A 115 8.913 10.696 -3.224 1.00 0.40 O ATOM 1868 CB PRO A 115 9.024 7.673 -2.142 1.00 0.45 C ATOM 1869 CG PRO A 115 9.939 7.466 -3.347 1.00 0.51 C ATOM 1870 CD PRO A 115 8.978 7.468 -4.534 1.00 0.40 C ATOM 0 HA PRO A 115 6.965 8.374 -2.206 1.00 0.32 H new ATOM 0 HB2 PRO A 115 9.551 8.143 -1.312 1.00 0.45 H new ATOM 0 HB3 PRO A 115 8.625 6.728 -1.772 1.00 0.45 H new ATOM 0 HG2 PRO A 115 10.679 8.262 -3.429 1.00 0.51 H new ATOM 0 HG3 PRO A 115 10.487 6.527 -3.277 1.00 0.51 H new ATOM 0 HD2 PRO A 115 9.458 7.864 -5.429 1.00 0.40 H new ATOM 0 HD3 PRO A 115 8.643 6.458 -4.772 1.00 0.40 H new ATOM 1878 N GLN A 116 7.764 10.568 -1.301 1.00 0.28 N ATOM 1879 CA GLN A 116 7.921 11.972 -0.958 1.00 0.31 C ATOM 1880 C GLN A 116 8.976 12.096 0.145 1.00 0.33 C ATOM 1881 O GLN A 116 8.656 11.893 1.315 1.00 0.43 O ATOM 1882 CB GLN A 116 6.565 12.564 -0.544 1.00 0.40 C ATOM 1883 CG GLN A 116 5.532 12.429 -1.674 1.00 1.91 C ATOM 1884 CD GLN A 116 4.230 13.183 -1.405 1.00 2.08 C ATOM 1885 OE1 GLN A 116 3.659 13.789 -2.304 1.00 2.71 O ATOM 1886 NE2 GLN A 116 3.711 13.149 -0.185 1.00 2.16 N ATOM 0 H GLN A 116 7.272 10.022 -0.593 1.00 0.28 H new ATOM 0 HA GLN A 116 8.266 12.543 -1.820 1.00 0.31 H new ATOM 0 HB2 GLN A 116 6.200 12.055 0.348 1.00 0.40 H new ATOM 0 HB3 GLN A 116 6.688 13.615 -0.284 1.00 0.40 H new ATOM 0 HG2 GLN A 116 5.970 12.797 -2.602 1.00 1.91 H new ATOM 0 HG3 GLN A 116 5.306 11.373 -1.825 1.00 1.91 H new ATOM 0 HE21 GLN A 116 4.191 12.643 0.559 1.00 2.16 H new ATOM 0 HE22 GLN A 116 2.832 13.629 0.009 1.00 2.16 H new ATOM 1895 N PRO A 117 10.231 12.450 -0.187 1.00 0.32 N ATOM 1896 CA PRO A 117 11.307 12.597 0.787 1.00 0.34 C ATOM 1897 C PRO A 117 11.190 13.881 1.619 1.00 0.42 C ATOM 1898 O PRO A 117 12.093 14.184 2.390 1.00 0.65 O ATOM 1899 CB PRO A 117 12.603 12.547 -0.034 1.00 0.38 C ATOM 1900 CG PRO A 117 12.175 13.157 -1.366 1.00 0.43 C ATOM 1901 CD PRO A 117 10.748 12.633 -1.535 1.00 0.37 C ATOM 0 HA PRO A 117 11.273 11.803 1.533 1.00 0.34 H new ATOM 0 HB2 PRO A 117 13.403 13.119 0.436 1.00 0.38 H new ATOM 0 HB3 PRO A 117 12.968 11.527 -0.154 1.00 0.38 H new ATOM 0 HG2 PRO A 117 12.206 14.246 -1.341 1.00 0.43 H new ATOM 0 HG3 PRO A 117 12.822 12.839 -2.183 1.00 0.43 H new ATOM 0 HD2 PRO A 117 10.136 13.339 -2.096 1.00 0.37 H new ATOM 0 HD3 PRO A 117 10.739 11.694 -2.088 1.00 0.37 H new ATOM 1909 N GLU A 118 10.085 14.624 1.498 1.00 0.38 N ATOM 1910 CA GLU A 118 9.797 15.823 2.272 1.00 0.45 C ATOM 1911 C GLU A 118 9.784 15.527 3.776 1.00 0.38 C ATOM 1912 O GLU A 118 10.461 16.206 4.545 1.00 0.61 O ATOM 1913 CB GLU A 118 8.476 16.438 1.769 1.00 0.54 C ATOM 1914 CG GLU A 118 7.267 15.507 1.978 1.00 2.40 C ATOM 1915 CD GLU A 118 5.994 15.915 1.237 1.00 3.02 C ATOM 1916 OE1 GLU A 118 6.026 16.945 0.529 1.00 2.74 O ATOM 1917 OE2 GLU A 118 5.013 15.145 1.369 1.00 4.56 O ATOM 0 H GLU A 118 9.345 14.394 0.834 1.00 0.38 H new ATOM 0 HA GLU A 118 10.590 16.557 2.126 1.00 0.45 H new ATOM 0 HB2 GLU A 118 8.298 17.380 2.288 1.00 0.54 H new ATOM 0 HB3 GLU A 118 8.570 16.672 0.709 1.00 0.54 H new ATOM 0 HG2 GLU A 118 7.545 14.501 1.663 1.00 2.40 H new ATOM 0 HG3 GLU A 118 7.047 15.458 3.044 1.00 2.40 H new ATOM 1924 N HIS A 119 9.009 14.527 4.200 1.00 0.21 N ATOM 1925 CA HIS A 119 8.907 14.106 5.595 1.00 0.24 C ATOM 1926 C HIS A 119 8.184 12.754 5.678 1.00 0.26 C ATOM 1927 O HIS A 119 7.075 12.657 6.204 1.00 0.35 O ATOM 1928 CB HIS A 119 8.207 15.193 6.434 1.00 0.33 C ATOM 1929 CG HIS A 119 6.944 15.750 5.823 1.00 0.82 C ATOM 1930 ND1 HIS A 119 5.800 15.042 5.540 1.00 2.07 N ATOM 1931 CD2 HIS A 119 6.749 17.039 5.407 1.00 1.44 C ATOM 1932 CE1 HIS A 119 4.935 15.887 4.951 1.00 2.38 C ATOM 1933 NE2 HIS A 119 5.463 17.119 4.865 1.00 1.85 N ATOM 0 H HIS A 119 8.424 13.978 3.570 1.00 0.21 H new ATOM 0 HA HIS A 119 9.906 13.974 6.011 1.00 0.24 H new ATOM 0 HB2 HIS A 119 7.968 14.778 7.413 1.00 0.33 H new ATOM 0 HB3 HIS A 119 8.907 16.013 6.597 1.00 0.33 H new ATOM 0 HD1 HIS A 119 5.637 14.055 5.740 1.00 2.07 H new ATOM 0 HD2 HIS A 119 7.460 17.848 5.484 1.00 1.44 H new ATOM 0 HE1 HIS A 119 3.952 15.613 4.596 1.00 2.38 H new ATOM 1941 N PRO A 120 8.780 11.692 5.124 1.00 0.19 N ATOM 1942 CA PRO A 120 8.205 10.358 5.143 1.00 0.19 C ATOM 1943 C PRO A 120 8.503 9.651 6.473 1.00 0.20 C ATOM 1944 O PRO A 120 9.124 10.225 7.365 1.00 0.26 O ATOM 1945 CB PRO A 120 8.876 9.662 3.965 1.00 0.17 C ATOM 1946 CG PRO A 120 10.271 10.270 3.966 1.00 0.17 C ATOM 1947 CD PRO A 120 10.027 11.715 4.381 1.00 0.17 C ATOM 0 HA PRO A 120 7.118 10.357 5.058 1.00 0.19 H new ATOM 0 HB2 PRO A 120 8.906 8.580 4.097 1.00 0.17 H new ATOM 0 HB3 PRO A 120 8.351 9.854 3.029 1.00 0.17 H new ATOM 0 HG2 PRO A 120 10.932 9.758 4.665 1.00 0.17 H new ATOM 0 HG3 PRO A 120 10.737 10.208 2.983 1.00 0.17 H new ATOM 0 HD2 PRO A 120 10.845 12.092 4.996 1.00 0.17 H new ATOM 0 HD3 PRO A 120 9.955 12.368 3.511 1.00 0.17 H new ATOM 1955 N LEU A 121 8.079 8.387 6.599 1.00 0.17 N ATOM 1956 CA LEU A 121 8.234 7.587 7.815 1.00 0.18 C ATOM 1957 C LEU A 121 9.705 7.461 8.189 1.00 0.20 C ATOM 1958 O LEU A 121 10.101 7.750 9.315 1.00 0.29 O ATOM 1959 CB LEU A 121 7.611 6.191 7.620 1.00 0.16 C ATOM 1960 CG LEU A 121 6.381 6.009 8.508 1.00 0.20 C ATOM 1961 CD1 LEU A 121 5.561 4.817 8.024 1.00 0.51 C ATOM 1962 CD2 LEU A 121 6.762 5.793 9.972 1.00 0.48 C ATOM 0 H LEU A 121 7.611 7.885 5.844 1.00 0.17 H new ATOM 0 HA LEU A 121 7.713 8.092 8.628 1.00 0.18 H new ATOM 0 HB2 LEU A 121 7.332 6.057 6.575 1.00 0.16 H new ATOM 0 HB3 LEU A 121 8.349 5.424 7.854 1.00 0.16 H new ATOM 0 HG LEU A 121 5.792 6.924 8.440 1.00 0.20 H new ATOM 0 HD11 LEU A 121 4.686 4.694 8.662 1.00 0.51 H new ATOM 0 HD12 LEU A 121 5.240 4.990 6.997 1.00 0.51 H new ATOM 0 HD13 LEU A 121 6.171 3.915 8.067 1.00 0.51 H new ATOM 0 HD21 LEU A 121 5.858 5.668 10.569 1.00 0.48 H new ATOM 0 HD22 LEU A 121 7.381 4.900 10.059 1.00 0.48 H new ATOM 0 HD23 LEU A 121 7.319 6.657 10.334 1.00 0.48 H new ATOM 1974 N ARG A 122 10.520 7.017 7.236 1.00 0.18 N ATOM 1975 CA ARG A 122 11.959 6.981 7.393 1.00 0.22 C ATOM 1976 C ARG A 122 12.545 8.020 6.459 1.00 0.23 C ATOM 1977 O ARG A 122 12.797 7.727 5.291 1.00 0.28 O ATOM 1978 CB ARG A 122 12.501 5.588 7.067 1.00 0.29 C ATOM 1979 CG ARG A 122 12.238 4.580 8.196 1.00 0.36 C ATOM 1980 CD ARG A 122 13.522 3.831 8.592 1.00 0.52 C ATOM 1981 NE ARG A 122 14.556 4.737 9.133 1.00 0.98 N ATOM 1982 CZ ARG A 122 14.559 5.272 10.360 1.00 1.25 C ATOM 1983 NH1 ARG A 122 15.533 6.098 10.737 1.00 1.74 N ATOM 1984 NH2 ARG A 122 13.578 4.987 11.216 1.00 2.06 N ATOM 0 H ARG A 122 10.194 6.673 6.333 1.00 0.18 H new ATOM 0 HA ARG A 122 12.237 7.201 8.424 1.00 0.22 H new ATOM 0 HB2 ARG A 122 12.041 5.228 6.147 1.00 0.29 H new ATOM 0 HB3 ARG A 122 13.573 5.652 6.883 1.00 0.29 H new ATOM 0 HG2 ARG A 122 11.837 5.102 9.065 1.00 0.36 H new ATOM 0 HG3 ARG A 122 11.481 3.864 7.877 1.00 0.36 H new ATOM 0 HD2 ARG A 122 13.282 3.072 9.336 1.00 0.52 H new ATOM 0 HD3 ARG A 122 13.919 3.309 7.721 1.00 0.52 H new ATOM 0 HE ARG A 122 15.335 4.975 8.519 1.00 0.98 H new ATOM 0 HH11 ARG A 122 16.286 6.328 10.089 1.00 1.74 H new ATOM 0 HH12 ARG A 122 15.526 6.500 11.674 1.00 1.74 H new ATOM 0 HH21 ARG A 122 12.823 4.360 10.937 1.00 2.06 H new ATOM 0 HH22 ARG A 122 13.582 5.396 12.151 1.00 2.06 H new ATOM 1998 N ALA A 123 12.796 9.217 6.989 1.00 0.25 N ATOM 1999 CA ALA A 123 13.502 10.245 6.246 1.00 0.27 C ATOM 2000 C ALA A 123 14.802 9.674 5.687 1.00 0.28 C ATOM 2001 O ALA A 123 15.064 9.879 4.515 1.00 0.26 O ATOM 2002 CB ALA A 123 13.749 11.473 7.127 1.00 0.30 C ATOM 0 H ALA A 123 12.518 9.493 7.931 1.00 0.25 H new ATOM 0 HA ALA A 123 12.888 10.572 5.406 1.00 0.27 H new ATOM 0 HB1 ALA A 123 14.279 12.232 6.552 1.00 0.30 H new ATOM 0 HB2 ALA A 123 12.794 11.875 7.466 1.00 0.30 H new ATOM 0 HB3 ALA A 123 14.349 11.186 7.990 1.00 0.30 H new ATOM 2008 N ASP A 124 15.563 8.905 6.476 1.00 0.35 N ATOM 2009 CA ASP A 124 16.804 8.247 6.048 1.00 0.38 C ATOM 2010 C ASP A 124 16.657 7.526 4.718 1.00 0.39 C ATOM 2011 O ASP A 124 17.428 7.768 3.799 1.00 0.40 O ATOM 2012 CB ASP A 124 17.233 7.192 7.077 1.00 0.49 C ATOM 2013 CG ASP A 124 17.977 7.775 8.266 1.00 1.29 C ATOM 2014 OD1 ASP A 124 19.097 8.281 8.056 1.00 2.36 O ATOM 2015 OD2 ASP A 124 17.406 7.660 9.373 1.00 2.30 O ATOM 0 H ASP A 124 15.328 8.719 7.451 1.00 0.35 H new ATOM 0 HA ASP A 124 17.543 9.043 5.951 1.00 0.38 H new ATOM 0 HB2 ASP A 124 16.349 6.664 7.435 1.00 0.49 H new ATOM 0 HB3 ASP A 124 17.868 6.454 6.587 1.00 0.49 H new ATOM 2020 N LEU A 125 15.690 6.616 4.600 1.00 0.37 N ATOM 2021 CA LEU A 125 15.450 5.900 3.355 1.00 0.37 C ATOM 2022 C LEU A 125 15.235 6.903 2.211 1.00 0.35 C ATOM 2023 O LEU A 125 15.679 6.703 1.085 1.00 0.43 O ATOM 2024 CB LEU A 125 14.247 4.957 3.554 1.00 0.40 C ATOM 2025 CG LEU A 125 14.488 3.810 4.552 1.00 0.62 C ATOM 2026 CD1 LEU A 125 13.278 2.871 4.558 1.00 1.31 C ATOM 2027 CD2 LEU A 125 15.743 2.987 4.264 1.00 1.23 C ATOM 0 H LEU A 125 15.059 6.359 5.359 1.00 0.37 H new ATOM 0 HA LEU A 125 16.312 5.292 3.082 1.00 0.37 H new ATOM 0 HB2 LEU A 125 13.395 5.544 3.895 1.00 0.40 H new ATOM 0 HB3 LEU A 125 13.974 4.530 2.589 1.00 0.40 H new ATOM 0 HG LEU A 125 14.634 4.284 5.523 1.00 0.62 H new ATOM 0 HD11 LEU A 125 13.451 2.060 5.265 1.00 1.31 H new ATOM 0 HD12 LEU A 125 12.388 3.426 4.853 1.00 1.31 H new ATOM 0 HD13 LEU A 125 13.133 2.458 3.560 1.00 1.31 H new ATOM 0 HD21 LEU A 125 15.841 2.200 5.011 1.00 1.23 H new ATOM 0 HD22 LEU A 125 15.665 2.539 3.273 1.00 1.23 H new ATOM 0 HD23 LEU A 125 16.619 3.634 4.302 1.00 1.23 H new ATOM 2039 N ALA A 126 14.566 8.012 2.506 1.00 0.30 N ATOM 2040 CA ALA A 126 14.303 9.072 1.552 1.00 0.27 C ATOM 2041 C ALA A 126 15.569 9.858 1.213 1.00 0.27 C ATOM 2042 O ALA A 126 15.678 10.389 0.113 1.00 0.25 O ATOM 2043 CB ALA A 126 13.209 9.988 2.095 1.00 0.25 C ATOM 0 H ALA A 126 14.186 8.199 3.434 1.00 0.30 H new ATOM 0 HA ALA A 126 13.958 8.621 0.621 1.00 0.27 H new ATOM 0 HB1 ALA A 126 13.012 10.784 1.377 1.00 0.25 H new ATOM 0 HB2 ALA A 126 12.298 9.411 2.256 1.00 0.25 H new ATOM 0 HB3 ALA A 126 13.535 10.423 3.040 1.00 0.25 H new ATOM 2049 N GLU A 127 16.515 9.953 2.142 1.00 0.33 N ATOM 2050 CA GLU A 127 17.798 10.601 1.944 1.00 0.34 C ATOM 2051 C GLU A 127 18.643 9.761 1.007 1.00 0.33 C ATOM 2052 O GLU A 127 19.072 10.252 -0.028 1.00 0.33 O ATOM 2053 CB GLU A 127 18.530 10.869 3.259 1.00 0.44 C ATOM 2054 CG GLU A 127 17.649 11.767 4.128 1.00 0.44 C ATOM 2055 CD GLU A 127 18.449 12.839 4.864 1.00 0.71 C ATOM 2056 OE1 GLU A 127 19.074 13.664 4.157 1.00 1.62 O ATOM 2057 OE2 GLU A 127 18.408 12.836 6.114 1.00 1.85 O ATOM 0 H GLU A 127 16.402 9.568 3.080 1.00 0.33 H new ATOM 0 HA GLU A 127 17.618 11.578 1.496 1.00 0.34 H new ATOM 0 HB2 GLU A 127 18.740 9.932 3.774 1.00 0.44 H new ATOM 0 HB3 GLU A 127 19.489 11.350 3.068 1.00 0.44 H new ATOM 0 HG2 GLU A 127 16.896 12.246 3.502 1.00 0.44 H new ATOM 0 HG3 GLU A 127 17.116 11.154 4.855 1.00 0.44 H new ATOM 2064 N GLU A 128 18.835 8.483 1.328 1.00 0.34 N ATOM 2065 CA GLU A 128 19.586 7.547 0.498 1.00 0.33 C ATOM 2066 C GLU A 128 18.988 7.543 -0.910 1.00 0.28 C ATOM 2067 O GLU A 128 19.717 7.494 -1.892 1.00 0.29 O ATOM 2068 CB GLU A 128 19.543 6.155 1.149 1.00 0.43 C ATOM 2069 CG GLU A 128 20.399 5.086 0.442 1.00 0.56 C ATOM 2070 CD GLU A 128 21.895 5.145 0.771 1.00 1.76 C ATOM 2071 OE1 GLU A 128 22.692 5.444 -0.149 1.00 3.22 O ATOM 2072 OE2 GLU A 128 22.241 4.797 1.920 1.00 2.76 O ATOM 0 H GLU A 128 18.468 8.065 2.183 1.00 0.34 H new ATOM 0 HA GLU A 128 20.631 7.845 0.418 1.00 0.33 H new ATOM 0 HB2 GLU A 128 19.876 6.242 2.183 1.00 0.43 H new ATOM 0 HB3 GLU A 128 18.508 5.813 1.175 1.00 0.43 H new ATOM 0 HG2 GLU A 128 20.020 4.100 0.711 1.00 0.56 H new ATOM 0 HG3 GLU A 128 20.273 5.193 -0.635 1.00 0.56 H new ATOM 2079 N TYR A 129 17.665 7.665 -1.031 1.00 0.25 N ATOM 2080 CA TYR A 129 17.022 7.764 -2.339 1.00 0.23 C ATOM 2081 C TYR A 129 17.408 9.087 -3.013 1.00 0.23 C ATOM 2082 O TYR A 129 17.881 9.124 -4.145 1.00 0.28 O ATOM 2083 CB TYR A 129 15.500 7.701 -2.136 1.00 0.23 C ATOM 2084 CG TYR A 129 14.656 7.770 -3.395 1.00 0.68 C ATOM 2085 CD1 TYR A 129 13.773 8.845 -3.608 1.00 2.11 C ATOM 2086 CD2 TYR A 129 14.718 6.727 -4.334 1.00 2.25 C ATOM 2087 CE1 TYR A 129 12.946 8.872 -4.748 1.00 2.41 C ATOM 2088 CE2 TYR A 129 13.892 6.739 -5.472 1.00 2.63 C ATOM 2089 CZ TYR A 129 12.997 7.809 -5.680 1.00 1.90 C ATOM 2090 OH TYR A 129 12.198 7.805 -6.783 1.00 2.48 O ATOM 0 H TYR A 129 17.021 7.697 -0.241 1.00 0.25 H new ATOM 0 HA TYR A 129 17.347 6.944 -2.979 1.00 0.23 H new ATOM 0 HB2 TYR A 129 15.262 6.775 -1.613 1.00 0.23 H new ATOM 0 HB3 TYR A 129 15.207 8.521 -1.481 1.00 0.23 H new ATOM 0 HD1 TYR A 129 13.729 9.654 -2.893 1.00 2.11 H new ATOM 0 HD2 TYR A 129 15.406 5.909 -4.181 1.00 2.25 H new ATOM 0 HE1 TYR A 129 12.275 9.702 -4.910 1.00 2.41 H new ATOM 0 HE2 TYR A 129 13.943 5.930 -6.186 1.00 2.63 H new ATOM 0 HH TYR A 129 12.371 6.997 -7.309 1.00 2.48 H new ATOM 2100 N SER A 130 17.195 10.190 -2.303 1.00 0.24 N ATOM 2101 CA SER A 130 17.345 11.568 -2.755 1.00 0.29 C ATOM 2102 C SER A 130 18.798 11.879 -3.113 1.00 0.37 C ATOM 2103 O SER A 130 19.086 12.845 -3.821 1.00 0.78 O ATOM 2104 CB SER A 130 16.803 12.483 -1.643 1.00 0.30 C ATOM 2105 OG SER A 130 17.067 13.857 -1.866 1.00 0.64 O ATOM 0 H SER A 130 16.892 10.141 -1.330 1.00 0.24 H new ATOM 0 HA SER A 130 16.777 11.736 -3.670 1.00 0.29 H new ATOM 0 HB2 SER A 130 15.726 12.337 -1.555 1.00 0.30 H new ATOM 0 HB3 SER A 130 17.244 12.186 -0.691 1.00 0.30 H new ATOM 0 HG SER A 130 16.697 14.385 -1.128 1.00 0.64 H new ATOM 2111 N LYS A 131 19.743 11.108 -2.585 1.00 0.33 N ATOM 2112 CA LYS A 131 21.156 11.256 -2.858 1.00 0.30 C ATOM 2113 C LYS A 131 21.571 10.226 -3.899 1.00 0.37 C ATOM 2114 O LYS A 131 22.439 10.524 -4.713 1.00 0.53 O ATOM 2115 CB LYS A 131 21.953 11.154 -1.547 1.00 0.36 C ATOM 2116 CG LYS A 131 22.070 12.524 -0.852 1.00 0.67 C ATOM 2117 CD LYS A 131 20.779 13.045 -0.195 1.00 1.14 C ATOM 2118 CE LYS A 131 20.484 14.504 -0.557 1.00 2.62 C ATOM 2119 NZ LYS A 131 19.940 14.645 -1.928 1.00 4.63 N ATOM 0 H LYS A 131 19.535 10.346 -1.940 1.00 0.33 H new ATOM 0 HA LYS A 131 21.372 12.240 -3.274 1.00 0.30 H new ATOM 0 HB2 LYS A 131 21.466 10.445 -0.877 1.00 0.36 H new ATOM 0 HB3 LYS A 131 22.949 10.763 -1.755 1.00 0.36 H new ATOM 0 HG2 LYS A 131 22.845 12.460 -0.089 1.00 0.67 H new ATOM 0 HG3 LYS A 131 22.405 13.257 -1.586 1.00 0.67 H new ATOM 0 HD2 LYS A 131 19.941 12.421 -0.504 1.00 1.14 H new ATOM 0 HD3 LYS A 131 20.863 12.953 0.888 1.00 1.14 H new ATOM 0 HE2 LYS A 131 19.772 14.916 0.158 1.00 2.62 H new ATOM 0 HE3 LYS A 131 21.399 15.090 -0.470 1.00 2.62 H new ATOM 0 HZ1 LYS A 131 20.176 15.587 -2.300 1.00 4.63 H new ATOM 0 HZ2 LYS A 131 20.355 13.916 -2.543 1.00 4.63 H new ATOM 0 HZ3 LYS A 131 18.907 14.531 -1.905 1.00 4.63 H new ATOM 2133 N ASP A 132 20.953 9.043 -3.915 1.00 0.28 N ATOM 2134 CA ASP A 132 21.314 8.009 -4.870 1.00 0.34 C ATOM 2135 C ASP A 132 20.156 7.035 -5.129 1.00 0.30 C ATOM 2136 O ASP A 132 20.072 5.926 -4.590 1.00 0.33 O ATOM 2137 CB ASP A 132 22.577 7.287 -4.398 1.00 0.40 C ATOM 2138 CG ASP A 132 23.173 6.463 -5.535 1.00 0.50 C ATOM 2139 OD1 ASP A 132 24.404 6.255 -5.526 1.00 1.71 O ATOM 2140 OD2 ASP A 132 22.381 5.989 -6.379 1.00 1.71 O ATOM 0 H ASP A 132 20.202 8.783 -3.276 1.00 0.28 H new ATOM 0 HA ASP A 132 21.527 8.484 -5.828 1.00 0.34 H new ATOM 0 HB2 ASP A 132 23.309 8.014 -4.044 1.00 0.40 H new ATOM 0 HB3 ASP A 132 22.339 6.638 -3.555 1.00 0.40 H new ATOM 2145 N ARG A 133 19.274 7.408 -6.061 1.00 0.29 N ATOM 2146 CA ARG A 133 18.214 6.502 -6.485 1.00 0.28 C ATOM 2147 C ARG A 133 18.759 5.230 -7.125 1.00 0.27 C ATOM 2148 O ARG A 133 18.003 4.275 -7.257 1.00 0.28 O ATOM 2149 CB ARG A 133 17.221 7.138 -7.464 1.00 0.31 C ATOM 2150 CG ARG A 133 16.469 8.348 -6.895 1.00 0.45 C ATOM 2151 CD ARG A 133 17.113 9.707 -7.208 1.00 1.21 C ATOM 2152 NE ARG A 133 16.198 10.556 -7.991 1.00 1.35 N ATOM 2153 CZ ARG A 133 15.956 10.448 -9.304 1.00 2.10 C ATOM 2154 NH1 ARG A 133 14.999 11.184 -9.871 1.00 2.74 N ATOM 2155 NH2 ARG A 133 16.664 9.600 -10.050 1.00 3.18 N ATOM 0 H ARG A 133 19.275 8.316 -6.527 1.00 0.29 H new ATOM 0 HA ARG A 133 17.688 6.259 -5.562 1.00 0.28 H new ATOM 0 HB2 ARG A 133 17.758 7.446 -8.361 1.00 0.31 H new ATOM 0 HB3 ARG A 133 16.496 6.384 -7.770 1.00 0.31 H new ATOM 0 HG2 ARG A 133 15.452 8.344 -7.287 1.00 0.45 H new ATOM 0 HG3 ARG A 133 16.394 8.237 -5.813 1.00 0.45 H new ATOM 0 HD2 ARG A 133 17.377 10.211 -6.278 1.00 1.21 H new ATOM 0 HD3 ARG A 133 18.039 9.556 -7.763 1.00 1.21 H new ATOM 0 HE ARG A 133 15.704 11.293 -7.487 1.00 1.35 H new ATOM 0 HH11 ARG A 133 14.450 11.831 -9.305 1.00 2.74 H new ATOM 0 HH12 ARG A 133 14.816 11.100 -10.871 1.00 2.74 H new ATOM 0 HH21 ARG A 133 17.393 9.030 -9.621 1.00 3.18 H new ATOM 0 HH22 ARG A 133 16.476 9.521 -11.049 1.00 3.18 H new ATOM 2169 N LYS A 134 20.015 5.176 -7.580 1.00 0.29 N ATOM 2170 CA LYS A 134 20.533 3.948 -8.168 1.00 0.29 C ATOM 2171 C LYS A 134 20.619 2.870 -7.104 1.00 0.29 C ATOM 2172 O LYS A 134 20.112 1.775 -7.350 1.00 0.31 O ATOM 2173 CB LYS A 134 21.884 4.153 -8.864 1.00 0.32 C ATOM 2174 CG LYS A 134 21.778 5.077 -10.086 1.00 0.46 C ATOM 2175 CD LYS A 134 20.735 4.616 -11.117 1.00 2.03 C ATOM 2176 CE LYS A 134 20.887 3.136 -11.488 1.00 3.60 C ATOM 2177 NZ LYS A 134 22.205 2.851 -12.098 1.00 4.51 N ATOM 0 H LYS A 134 20.675 5.953 -7.552 1.00 0.29 H new ATOM 0 HA LYS A 134 19.838 3.630 -8.945 1.00 0.29 H new ATOM 0 HB2 LYS A 134 22.595 4.574 -8.154 1.00 0.32 H new ATOM 0 HB3 LYS A 134 22.280 3.186 -9.176 1.00 0.32 H new ATOM 0 HG2 LYS A 134 21.525 6.082 -9.750 1.00 0.46 H new ATOM 0 HG3 LYS A 134 22.753 5.139 -10.570 1.00 0.46 H new ATOM 0 HD2 LYS A 134 19.735 4.786 -10.718 1.00 2.03 H new ATOM 0 HD3 LYS A 134 20.826 5.224 -12.017 1.00 2.03 H new ATOM 0 HE2 LYS A 134 20.760 2.523 -10.595 1.00 3.60 H new ATOM 0 HE3 LYS A 134 20.097 2.853 -12.183 1.00 3.60 H new ATOM 0 HZ1 LYS A 134 22.242 1.855 -12.396 1.00 4.51 H new ATOM 0 HZ2 LYS A 134 22.345 3.465 -12.926 1.00 4.51 H new ATOM 0 HZ3 LYS A 134 22.956 3.032 -11.402 1.00 4.51 H new ATOM 2191 N LYS A 135 21.208 3.143 -5.934 1.00 0.32 N ATOM 2192 CA LYS A 135 21.174 2.123 -4.885 1.00 0.35 C ATOM 2193 C LYS A 135 19.740 1.778 -4.557 1.00 0.31 C ATOM 2194 O LYS A 135 19.421 0.609 -4.452 1.00 0.39 O ATOM 2195 CB LYS A 135 21.920 2.498 -3.601 1.00 0.45 C ATOM 2196 CG LYS A 135 23.434 2.387 -3.812 1.00 0.48 C ATOM 2197 CD LYS A 135 24.076 3.765 -3.679 1.00 1.12 C ATOM 2198 CE LYS A 135 24.264 4.206 -2.222 1.00 1.63 C ATOM 2199 NZ LYS A 135 25.437 3.567 -1.593 1.00 2.51 N ATOM 0 H LYS A 135 21.688 4.011 -5.698 1.00 0.32 H new ATOM 0 HA LYS A 135 21.703 1.262 -5.294 1.00 0.35 H new ATOM 0 HB2 LYS A 135 21.661 3.515 -3.306 1.00 0.45 H new ATOM 0 HB3 LYS A 135 21.610 1.841 -2.788 1.00 0.45 H new ATOM 0 HG2 LYS A 135 23.863 1.703 -3.080 1.00 0.48 H new ATOM 0 HG3 LYS A 135 23.644 1.971 -4.798 1.00 0.48 H new ATOM 0 HD2 LYS A 135 25.045 3.757 -4.177 1.00 1.12 H new ATOM 0 HD3 LYS A 135 23.458 4.498 -4.197 1.00 1.12 H new ATOM 0 HE2 LYS A 135 24.379 5.289 -2.184 1.00 1.63 H new ATOM 0 HE3 LYS A 135 23.369 3.960 -1.651 1.00 1.63 H new ATOM 0 HZ1 LYS A 135 25.525 3.894 -0.610 1.00 2.51 H new ATOM 0 HZ2 LYS A 135 25.318 2.534 -1.605 1.00 2.51 H new ATOM 0 HZ3 LYS A 135 26.296 3.822 -2.121 1.00 2.51 H new ATOM 2213 N PHE A 136 18.847 2.752 -4.427 1.00 0.30 N ATOM 2214 CA PHE A 136 17.475 2.427 -4.075 1.00 0.30 C ATOM 2215 C PHE A 136 16.814 1.536 -5.124 1.00 0.25 C ATOM 2216 O PHE A 136 16.041 0.647 -4.784 1.00 0.30 O ATOM 2217 CB PHE A 136 16.697 3.715 -3.795 1.00 0.40 C ATOM 2218 CG PHE A 136 16.407 3.875 -2.319 1.00 2.18 C ATOM 2219 CD1 PHE A 136 17.419 3.603 -1.379 1.00 4.29 C ATOM 2220 CD2 PHE A 136 15.110 4.197 -1.883 1.00 2.50 C ATOM 2221 CE1 PHE A 136 17.110 3.556 -0.012 1.00 5.95 C ATOM 2222 CE2 PHE A 136 14.807 4.160 -0.515 1.00 4.05 C ATOM 2223 CZ PHE A 136 15.800 3.812 0.411 1.00 5.64 C ATOM 0 H PHE A 136 19.042 3.745 -4.556 1.00 0.30 H new ATOM 0 HA PHE A 136 17.471 1.836 -3.159 1.00 0.30 H new ATOM 0 HB2 PHE A 136 17.269 4.572 -4.150 1.00 0.40 H new ATOM 0 HB3 PHE A 136 15.760 3.705 -4.352 1.00 0.40 H new ATOM 0 HD1 PHE A 136 18.432 3.431 -1.710 1.00 4.29 H new ATOM 0 HD2 PHE A 136 14.350 4.472 -2.599 1.00 2.50 H new ATOM 0 HE1 PHE A 136 17.878 3.324 0.711 1.00 5.95 H new ATOM 0 HE2 PHE A 136 13.810 4.399 -0.175 1.00 4.05 H new ATOM 0 HZ PHE A 136 15.553 3.741 1.460 1.00 5.64 H new ATOM 2233 N CYS A 137 17.140 1.732 -6.398 1.00 0.27 N ATOM 2234 CA CYS A 137 16.614 0.921 -7.474 1.00 0.29 C ATOM 2235 C CYS A 137 17.165 -0.504 -7.385 1.00 0.27 C ATOM 2236 O CYS A 137 16.454 -1.460 -7.679 1.00 0.30 O ATOM 2237 CB CYS A 137 16.989 1.565 -8.812 1.00 0.35 C ATOM 2238 SG CYS A 137 16.110 0.747 -10.175 1.00 1.84 S ATOM 0 H CYS A 137 17.780 2.463 -6.707 1.00 0.27 H new ATOM 0 HA CYS A 137 15.528 0.865 -7.394 1.00 0.29 H new ATOM 0 HB2 CYS A 137 16.740 2.626 -8.795 1.00 0.35 H new ATOM 0 HB3 CYS A 137 18.065 1.493 -8.969 1.00 0.35 H new ATOM 0 HG CYS A 137 16.438 1.307 -11.301 1.00 1.84 H new ATOM 2244 N LYS A 138 18.453 -0.664 -7.066 1.00 0.32 N ATOM 2245 CA LYS A 138 19.049 -2.009 -7.058 1.00 0.37 C ATOM 2246 C LYS A 138 18.577 -2.763 -5.820 1.00 0.37 C ATOM 2247 O LYS A 138 18.132 -3.903 -5.909 1.00 0.41 O ATOM 2248 CB LYS A 138 20.582 -1.940 -7.112 1.00 0.52 C ATOM 2249 CG LYS A 138 21.151 -2.129 -8.528 1.00 0.80 C ATOM 2250 CD LYS A 138 20.843 -0.985 -9.506 1.00 0.96 C ATOM 2251 CE LYS A 138 19.452 -1.072 -10.148 1.00 2.02 C ATOM 2252 NZ LYS A 138 19.329 -2.209 -11.085 1.00 3.23 N ATOM 0 H LYS A 138 19.089 0.094 -6.817 1.00 0.32 H new ATOM 0 HA LYS A 138 18.722 -2.545 -7.949 1.00 0.37 H new ATOM 0 HB2 LYS A 138 20.909 -0.976 -6.722 1.00 0.52 H new ATOM 0 HB3 LYS A 138 20.996 -2.706 -6.456 1.00 0.52 H new ATOM 0 HG2 LYS A 138 22.232 -2.246 -8.457 1.00 0.80 H new ATOM 0 HG3 LYS A 138 20.757 -3.057 -8.941 1.00 0.80 H new ATOM 0 HD2 LYS A 138 20.930 -0.036 -8.978 1.00 0.96 H new ATOM 0 HD3 LYS A 138 21.596 -0.981 -10.294 1.00 0.96 H new ATOM 0 HE2 LYS A 138 18.700 -1.168 -9.365 1.00 2.02 H new ATOM 0 HE3 LYS A 138 19.242 -0.144 -10.679 1.00 2.02 H new ATOM 0 HZ1 LYS A 138 19.149 -1.850 -12.044 1.00 3.23 H new ATOM 0 HZ2 LYS A 138 20.212 -2.759 -11.081 1.00 3.23 H new ATOM 0 HZ3 LYS A 138 18.540 -2.818 -10.790 1.00 3.23 H new ATOM 2266 N ASN A 139 18.646 -2.097 -4.673 1.00 0.37 N ATOM 2267 CA ASN A 139 18.095 -2.548 -3.407 1.00 0.40 C ATOM 2268 C ASN A 139 16.695 -3.075 -3.652 1.00 0.37 C ATOM 2269 O ASN A 139 16.398 -4.187 -3.252 1.00 0.44 O ATOM 2270 CB ASN A 139 18.053 -1.416 -2.369 1.00 0.44 C ATOM 2271 CG ASN A 139 19.433 -0.945 -1.927 1.00 0.58 C ATOM 2272 OD1 ASN A 139 20.450 -1.525 -2.286 1.00 1.28 O ATOM 2273 ND2 ASN A 139 19.486 0.114 -1.130 1.00 0.91 N ATOM 0 H ASN A 139 19.107 -1.190 -4.600 1.00 0.37 H new ATOM 0 HA ASN A 139 18.736 -3.333 -3.006 1.00 0.40 H new ATOM 0 HB2 ASN A 139 17.506 -0.571 -2.787 1.00 0.44 H new ATOM 0 HB3 ASN A 139 17.497 -1.755 -1.495 1.00 0.44 H new ATOM 0 HD21 ASN A 139 20.387 0.462 -0.803 1.00 0.91 H new ATOM 0 HD22 ASN A 139 18.625 0.581 -0.844 1.00 0.91 H new ATOM 2280 N ALA A 140 15.845 -2.294 -4.320 1.00 0.29 N ATOM 2281 CA ALA A 140 14.493 -2.700 -4.649 1.00 0.29 C ATOM 2282 C ALA A 140 14.423 -3.980 -5.473 1.00 0.28 C ATOM 2283 O ALA A 140 13.610 -4.829 -5.137 1.00 0.33 O ATOM 2284 CB ALA A 140 13.769 -1.588 -5.380 1.00 0.33 C ATOM 0 H ALA A 140 16.084 -1.358 -4.647 1.00 0.29 H new ATOM 0 HA ALA A 140 14.004 -2.908 -3.697 1.00 0.29 H new ATOM 0 HB1 ALA A 140 12.755 -1.910 -5.619 1.00 0.33 H new ATOM 0 HB2 ALA A 140 13.728 -0.702 -4.746 1.00 0.33 H new ATOM 0 HB3 ALA A 140 14.302 -1.351 -6.301 1.00 0.33 H new ATOM 2290 N GLU A 141 15.195 -4.134 -6.553 1.00 0.30 N ATOM 2291 CA GLU A 141 15.233 -5.399 -7.297 1.00 0.42 C ATOM 2292 C GLU A 141 15.420 -6.576 -6.342 1.00 0.48 C ATOM 2293 O GLU A 141 14.754 -7.605 -6.455 1.00 0.58 O ATOM 2294 CB GLU A 141 16.378 -5.411 -8.323 1.00 0.63 C ATOM 2295 CG GLU A 141 15.952 -4.948 -9.712 1.00 0.74 C ATOM 2296 CD GLU A 141 17.079 -5.204 -10.707 1.00 0.80 C ATOM 2297 OE1 GLU A 141 17.220 -6.378 -11.117 1.00 2.30 O ATOM 2298 OE2 GLU A 141 17.803 -4.225 -11.012 1.00 1.14 O ATOM 0 H GLU A 141 15.799 -3.404 -6.931 1.00 0.30 H new ATOM 0 HA GLU A 141 14.282 -5.493 -7.822 1.00 0.42 H new ATOM 0 HB2 GLU A 141 17.183 -4.769 -7.965 1.00 0.63 H new ATOM 0 HB3 GLU A 141 16.783 -6.421 -8.393 1.00 0.63 H new ATOM 0 HG2 GLU A 141 15.052 -5.479 -10.023 1.00 0.74 H new ATOM 0 HG3 GLU A 141 15.705 -3.886 -9.692 1.00 0.74 H new ATOM 2305 N GLU A 142 16.350 -6.430 -5.403 1.00 0.47 N ATOM 2306 CA GLU A 142 16.712 -7.513 -4.513 1.00 0.49 C ATOM 2307 C GLU A 142 15.629 -7.730 -3.469 1.00 0.50 C ATOM 2308 O GLU A 142 15.314 -8.866 -3.142 1.00 0.60 O ATOM 2309 CB GLU A 142 18.037 -7.190 -3.809 1.00 0.53 C ATOM 2310 CG GLU A 142 19.215 -8.012 -4.348 1.00 0.82 C ATOM 2311 CD GLU A 142 20.017 -8.548 -3.167 1.00 1.47 C ATOM 2312 OE1 GLU A 142 20.430 -7.731 -2.313 1.00 2.27 O ATOM 2313 OE2 GLU A 142 20.047 -9.784 -2.976 1.00 2.75 O ATOM 0 H GLU A 142 16.866 -5.565 -5.243 1.00 0.47 H new ATOM 0 HA GLU A 142 16.823 -8.422 -5.104 1.00 0.49 H new ATOM 0 HB2 GLU A 142 18.256 -6.129 -3.928 1.00 0.53 H new ATOM 0 HB3 GLU A 142 17.930 -7.376 -2.740 1.00 0.53 H new ATOM 0 HG2 GLU A 142 18.851 -8.835 -4.963 1.00 0.82 H new ATOM 0 HG3 GLU A 142 19.847 -7.394 -4.985 1.00 0.82 H new ATOM 2320 N PHE A 143 15.091 -6.648 -2.915 1.00 0.45 N ATOM 2321 CA PHE A 143 14.093 -6.648 -1.858 1.00 0.48 C ATOM 2322 C PHE A 143 12.851 -7.354 -2.375 1.00 0.39 C ATOM 2323 O PHE A 143 12.343 -8.294 -1.765 1.00 0.36 O ATOM 2324 CB PHE A 143 13.786 -5.204 -1.443 1.00 0.52 C ATOM 2325 CG PHE A 143 14.426 -4.810 -0.129 1.00 1.01 C ATOM 2326 CD1 PHE A 143 13.622 -4.461 0.971 1.00 1.03 C ATOM 2327 CD2 PHE A 143 15.826 -4.821 0.005 1.00 2.02 C ATOM 2328 CE1 PHE A 143 14.217 -4.134 2.201 1.00 1.89 C ATOM 2329 CE2 PHE A 143 16.421 -4.487 1.234 1.00 2.89 C ATOM 2330 CZ PHE A 143 15.615 -4.145 2.333 1.00 2.80 C ATOM 0 H PHE A 143 15.353 -5.706 -3.206 1.00 0.45 H new ATOM 0 HA PHE A 143 14.459 -7.175 -0.977 1.00 0.48 H new ATOM 0 HB2 PHE A 143 14.131 -4.527 -2.225 1.00 0.52 H new ATOM 0 HB3 PHE A 143 12.706 -5.077 -1.366 1.00 0.52 H new ATOM 0 HD1 PHE A 143 12.547 -4.444 0.870 1.00 1.03 H new ATOM 0 HD2 PHE A 143 16.446 -5.087 -0.839 1.00 2.02 H new ATOM 0 HE1 PHE A 143 13.598 -3.874 3.047 1.00 1.89 H new ATOM 0 HE2 PHE A 143 17.496 -4.493 1.333 1.00 2.89 H new ATOM 0 HZ PHE A 143 16.070 -3.891 3.279 1.00 2.80 H new ATOM 2340 N THR A 144 12.407 -6.923 -3.548 1.00 0.35 N ATOM 2341 CA THR A 144 11.399 -7.593 -4.332 1.00 0.29 C ATOM 2342 C THR A 144 11.712 -9.090 -4.450 1.00 0.30 C ATOM 2343 O THR A 144 10.893 -9.917 -4.071 1.00 0.33 O ATOM 2344 CB THR A 144 11.294 -6.882 -5.680 1.00 0.29 C ATOM 2345 OG1 THR A 144 10.896 -5.547 -5.463 1.00 0.32 O ATOM 2346 CG2 THR A 144 10.265 -7.565 -6.560 1.00 0.31 C ATOM 0 H THR A 144 12.754 -6.070 -3.987 1.00 0.35 H new ATOM 0 HA THR A 144 10.425 -7.539 -3.846 1.00 0.29 H new ATOM 0 HB THR A 144 12.264 -6.916 -6.176 1.00 0.29 H new ATOM 0 HG1 THR A 144 11.687 -4.992 -5.303 1.00 0.32 H new ATOM 0 HG21 THR A 144 10.202 -7.046 -7.517 1.00 0.31 H new ATOM 0 HG22 THR A 144 10.560 -8.601 -6.728 1.00 0.31 H new ATOM 0 HG23 THR A 144 9.292 -7.540 -6.069 1.00 0.31 H new ATOM 2354 N LYS A 145 12.890 -9.479 -4.937 1.00 0.34 N ATOM 2355 CA LYS A 145 13.216 -10.899 -5.079 1.00 0.40 C ATOM 2356 C LYS A 145 13.364 -11.627 -3.729 1.00 0.44 C ATOM 2357 O LYS A 145 13.332 -12.858 -3.687 1.00 0.56 O ATOM 2358 CB LYS A 145 14.461 -11.018 -5.974 1.00 0.51 C ATOM 2359 CG LYS A 145 14.877 -12.467 -6.254 1.00 1.24 C ATOM 2360 CD LYS A 145 15.952 -12.946 -5.267 1.00 2.02 C ATOM 2361 CE LYS A 145 16.053 -14.472 -5.323 1.00 2.58 C ATOM 2362 NZ LYS A 145 16.142 -15.058 -3.969 1.00 4.22 N ATOM 0 H LYS A 145 13.627 -8.840 -5.237 1.00 0.34 H new ATOM 0 HA LYS A 145 12.382 -11.412 -5.557 1.00 0.40 H new ATOM 0 HB2 LYS A 145 14.267 -10.515 -6.921 1.00 0.51 H new ATOM 0 HB3 LYS A 145 15.291 -10.495 -5.499 1.00 0.51 H new ATOM 0 HG2 LYS A 145 14.004 -13.117 -6.186 1.00 1.24 H new ATOM 0 HG3 LYS A 145 15.256 -12.547 -7.273 1.00 1.24 H new ATOM 0 HD2 LYS A 145 16.914 -12.498 -5.515 1.00 2.02 H new ATOM 0 HD3 LYS A 145 15.702 -12.624 -4.256 1.00 2.02 H new ATOM 0 HE2 LYS A 145 15.183 -14.877 -5.839 1.00 2.58 H new ATOM 0 HE3 LYS A 145 16.930 -14.759 -5.903 1.00 2.58 H new ATOM 0 HZ1 LYS A 145 16.209 -16.093 -4.042 1.00 4.22 H new ATOM 0 HZ2 LYS A 145 16.986 -14.690 -3.486 1.00 4.22 H new ATOM 0 HZ3 LYS A 145 15.293 -14.804 -3.424 1.00 4.22 H new ATOM 2376 N LYS A 146 13.602 -10.908 -2.629 1.00 0.45 N ATOM 2377 CA LYS A 146 13.832 -11.477 -1.305 1.00 0.48 C ATOM 2378 C LYS A 146 12.496 -11.868 -0.684 1.00 0.46 C ATOM 2379 O LYS A 146 12.305 -13.021 -0.314 1.00 0.49 O ATOM 2380 CB LYS A 146 14.591 -10.461 -0.422 1.00 0.52 C ATOM 2381 CG LYS A 146 16.089 -10.777 -0.261 1.00 0.79 C ATOM 2382 CD LYS A 146 17.027 -9.596 -0.566 1.00 1.28 C ATOM 2383 CE LYS A 146 18.265 -9.685 0.341 1.00 1.68 C ATOM 2384 NZ LYS A 146 19.498 -9.176 -0.297 1.00 2.18 N ATOM 0 H LYS A 146 13.640 -9.889 -2.638 1.00 0.45 H new ATOM 0 HA LYS A 146 14.447 -12.373 -1.386 1.00 0.48 H new ATOM 0 HB2 LYS A 146 14.483 -9.466 -0.854 1.00 0.52 H new ATOM 0 HB3 LYS A 146 14.127 -10.432 0.564 1.00 0.52 H new ATOM 0 HG2 LYS A 146 16.269 -11.113 0.760 1.00 0.79 H new ATOM 0 HG3 LYS A 146 16.345 -11.607 -0.919 1.00 0.79 H new ATOM 0 HD2 LYS A 146 17.327 -9.616 -1.614 1.00 1.28 H new ATOM 0 HD3 LYS A 146 16.508 -8.652 -0.401 1.00 1.28 H new ATOM 0 HE2 LYS A 146 18.078 -9.121 1.255 1.00 1.68 H new ATOM 0 HE3 LYS A 146 18.418 -10.724 0.633 1.00 1.68 H new ATOM 0 HZ1 LYS A 146 20.253 -9.105 0.414 1.00 2.18 H new ATOM 0 HZ2 LYS A 146 19.793 -9.828 -1.052 1.00 2.18 H new ATOM 0 HZ3 LYS A 146 19.316 -8.236 -0.703 1.00 2.18 H new ATOM 2398 N TYR A 147 11.606 -10.893 -0.514 1.00 0.42 N ATOM 2399 CA TYR A 147 10.309 -11.060 0.133 1.00 0.39 C ATOM 2400 C TYR A 147 9.156 -10.671 -0.787 1.00 0.33 C ATOM 2401 O TYR A 147 8.029 -11.075 -0.522 1.00 0.38 O ATOM 2402 CB TYR A 147 10.220 -10.178 1.376 1.00 0.54 C ATOM 2403 CG TYR A 147 10.556 -10.922 2.644 1.00 0.49 C ATOM 2404 CD1 TYR A 147 11.866 -11.375 2.851 1.00 1.64 C ATOM 2405 CD2 TYR A 147 9.539 -11.253 3.558 1.00 2.03 C ATOM 2406 CE1 TYR A 147 12.166 -12.166 3.967 1.00 1.72 C ATOM 2407 CE2 TYR A 147 9.835 -12.040 4.682 1.00 1.97 C ATOM 2408 CZ TYR A 147 11.155 -12.499 4.895 1.00 0.51 C ATOM 2409 OH TYR A 147 11.460 -13.260 5.982 1.00 0.57 O ATOM 0 H TYR A 147 11.773 -9.938 -0.832 1.00 0.42 H new ATOM 0 HA TYR A 147 10.226 -12.116 0.392 1.00 0.39 H new ATOM 0 HB2 TYR A 147 10.899 -9.332 1.265 1.00 0.54 H new ATOM 0 HB3 TYR A 147 9.212 -9.770 1.455 1.00 0.54 H new ATOM 0 HD1 TYR A 147 12.645 -11.114 2.149 1.00 1.64 H new ATOM 0 HD2 TYR A 147 8.531 -10.902 3.395 1.00 2.03 H new ATOM 0 HE1 TYR A 147 13.174 -12.523 4.118 1.00 1.72 H new ATOM 0 HE2 TYR A 147 9.055 -12.295 5.384 1.00 1.97 H new ATOM 0 HH TYR A 147 10.654 -13.398 6.522 1.00 0.57 H new ATOM 2419 N GLY A 148 9.396 -9.794 -1.765 1.00 0.30 N ATOM 2420 CA GLY A 148 8.358 -9.228 -2.608 1.00 0.26 C ATOM 2421 C GLY A 148 7.488 -10.309 -3.228 1.00 0.25 C ATOM 2422 O GLY A 148 7.934 -11.413 -3.533 1.00 0.28 O ATOM 0 H GLY A 148 10.332 -9.457 -1.991 1.00 0.30 H new ATOM 0 HA2 GLY A 148 7.737 -8.554 -2.018 1.00 0.26 H new ATOM 0 HA3 GLY A 148 8.815 -8.631 -3.397 1.00 0.26 H new ATOM 2426 N GLU A 149 6.213 -9.981 -3.394 1.00 0.22 N ATOM 2427 CA GLU A 149 5.227 -10.942 -3.823 1.00 0.22 C ATOM 2428 C GLU A 149 5.459 -11.297 -5.283 1.00 0.24 C ATOM 2429 O GLU A 149 6.013 -10.521 -6.062 1.00 0.31 O ATOM 2430 CB GLU A 149 3.841 -10.332 -3.633 1.00 0.26 C ATOM 2431 CG GLU A 149 2.673 -11.325 -3.642 1.00 0.97 C ATOM 2432 CD GLU A 149 2.863 -12.539 -2.731 1.00 0.51 C ATOM 2433 OE1 GLU A 149 3.289 -12.326 -1.576 1.00 2.22 O ATOM 2434 OE2 GLU A 149 2.584 -13.664 -3.215 1.00 1.58 O ATOM 0 H GLU A 149 5.843 -9.044 -3.234 1.00 0.22 H new ATOM 0 HA GLU A 149 5.306 -11.855 -3.233 1.00 0.22 H new ATOM 0 HB2 GLU A 149 3.828 -9.792 -2.686 1.00 0.26 H new ATOM 0 HB3 GLU A 149 3.676 -9.597 -4.421 1.00 0.26 H new ATOM 0 HG2 GLU A 149 1.765 -10.801 -3.343 1.00 0.97 H new ATOM 0 HG3 GLU A 149 2.518 -11.674 -4.663 1.00 0.97 H new ATOM 2441 N LYS A 150 4.971 -12.458 -5.689 1.00 0.26 N ATOM 2442 CA LYS A 150 5.033 -12.811 -7.097 1.00 0.33 C ATOM 2443 C LYS A 150 3.925 -12.055 -7.827 1.00 0.39 C ATOM 2444 O LYS A 150 2.755 -12.428 -7.766 1.00 0.55 O ATOM 2445 CB LYS A 150 4.975 -14.330 -7.299 1.00 0.43 C ATOM 2446 CG LYS A 150 3.943 -15.018 -6.403 1.00 1.62 C ATOM 2447 CD LYS A 150 3.781 -16.492 -6.780 1.00 2.45 C ATOM 2448 CE LYS A 150 2.311 -16.879 -6.616 1.00 3.94 C ATOM 2449 NZ LYS A 150 1.841 -16.692 -5.224 1.00 5.15 N ATOM 0 H LYS A 150 4.539 -13.155 -5.082 1.00 0.26 H new ATOM 0 HA LYS A 150 5.990 -12.511 -7.524 1.00 0.33 H new ATOM 0 HB2 LYS A 150 4.740 -14.543 -8.342 1.00 0.43 H new ATOM 0 HB3 LYS A 150 5.959 -14.754 -7.101 1.00 0.43 H new ATOM 0 HG2 LYS A 150 4.251 -14.938 -5.361 1.00 1.62 H new ATOM 0 HG3 LYS A 150 2.983 -14.509 -6.492 1.00 1.62 H new ATOM 0 HD2 LYS A 150 4.103 -16.657 -7.808 1.00 2.45 H new ATOM 0 HD3 LYS A 150 4.410 -17.116 -6.145 1.00 2.45 H new ATOM 0 HE2 LYS A 150 1.700 -16.277 -7.289 1.00 3.94 H new ATOM 0 HE3 LYS A 150 2.175 -17.920 -6.908 1.00 3.94 H new ATOM 0 HZ1 LYS A 150 0.893 -17.106 -5.119 1.00 5.15 H new ATOM 0 HZ2 LYS A 150 2.498 -17.163 -4.570 1.00 5.15 H new ATOM 0 HZ3 LYS A 150 1.802 -15.676 -5.004 1.00 5.15 H new ATOM 2463 N ARG A 151 4.290 -10.967 -8.507 1.00 0.36 N ATOM 2464 CA ARG A 151 3.363 -10.241 -9.366 1.00 0.37 C ATOM 2465 C ARG A 151 2.828 -11.192 -10.441 1.00 0.51 C ATOM 2466 O ARG A 151 3.516 -12.146 -10.806 1.00 0.64 O ATOM 2467 CB ARG A 151 4.070 -9.015 -9.969 1.00 0.44 C ATOM 2468 CG ARG A 151 5.228 -9.374 -10.923 1.00 0.79 C ATOM 2469 CD ARG A 151 5.045 -8.776 -12.324 1.00 1.35 C ATOM 2470 NE ARG A 151 5.619 -9.640 -13.366 1.00 1.68 N ATOM 2471 CZ ARG A 151 5.509 -9.424 -14.682 1.00 2.67 C ATOM 2472 NH1 ARG A 151 5.935 -10.342 -15.551 1.00 3.08 N ATOM 2473 NH2 ARG A 151 4.972 -8.291 -15.133 1.00 3.94 N ATOM 0 H ARG A 151 5.229 -10.570 -8.476 1.00 0.36 H new ATOM 0 HA ARG A 151 2.513 -9.874 -8.791 1.00 0.37 H new ATOM 0 HB2 ARG A 151 3.339 -8.414 -10.510 1.00 0.44 H new ATOM 0 HB3 ARG A 151 4.456 -8.395 -9.160 1.00 0.44 H new ATOM 0 HG2 ARG A 151 6.167 -9.017 -10.499 1.00 0.79 H new ATOM 0 HG3 ARG A 151 5.306 -10.458 -11.002 1.00 0.79 H new ATOM 0 HD2 ARG A 151 3.983 -8.627 -12.520 1.00 1.35 H new ATOM 0 HD3 ARG A 151 5.517 -7.795 -12.365 1.00 1.35 H new ATOM 0 HE ARG A 151 6.139 -10.464 -13.064 1.00 1.68 H new ATOM 0 HH11 ARG A 151 6.346 -11.212 -15.213 1.00 3.08 H new ATOM 0 HH12 ARG A 151 5.849 -10.174 -16.553 1.00 3.08 H new ATOM 0 HH21 ARG A 151 4.643 -7.585 -14.474 1.00 3.94 H new ATOM 0 HH22 ARG A 151 4.890 -8.130 -16.137 1.00 3.94 H new