USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 945 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 142 SER OG : rot 131:sc= 0.849 USER MOD Set 1.2: A 144 ASN : amide:sc= 0.873 K(o=1.7,f=0.03) USER MOD Set 2.1: A 119 HIS : no HD1:sc= -0.231 K(o=2.5,f=-7.2!) USER MOD Set 2.2: A 131 HIS : no HD1:sc= 1.8 K(o=2.5,f=-15!) USER MOD Set 2.3: A 133 SER OG : rot -130:sc= -0.0365 USER MOD Set 2.4: A 141 SER OG : rot -157:sc= 0.924 USER MOD Set 3.1: A 135 SER OG : rot 180:sc= 0.0214 USER MOD Set 3.2: A 136 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 101 SER OG : rot 76:sc= 0.804 USER MOD Set 4.2: A 102 ASN :FLIP amide:sc= 0.718 F(o=-0.33,f=1.5) USER MOD Set 5.1: A 47 GLN : amide:sc= -0.288 K(o=0.55,f=-0.42) USER MOD Set 5.2: A 79 GLN : amide:sc= 0.843 K(o=0.55,f=-0.42) USER MOD Set 6.1: A 56 TYR OH : rot -22:sc= 0.0074 USER MOD Set 6.2: A 68 CYS SG : rot -150:sc= -0.424 USER MOD Set 6.3: A 69 SER OG : rot -60:sc= 0.527 USER MOD Set 6.4: A 88 THR OG1 : rot -45:sc= 1.24 USER MOD Set 7.1: A 62 THR OG1 : rot 121:sc= 0.181 USER MOD Set 7.2: A 64 LYS NZ :NH3+ -164:sc= 0.532 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.25 USER MOD Single : A 45 MET CE :methyl 134:sc= -0.881 (180deg=-2.66!) USER MOD Single : A 48 TYR OH : rot 2:sc= 0.445 USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= -0.888 (180deg=-3.09!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.153 (180deg=-0.27) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.962 F(o=-2.8!,f=-0.96) USER MOD Single : A 75 THR OG1 : rot 74:sc= 0.556 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -3.34! C(o=-3.3!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= -0.876 X(o=-0.88,f=-0.76) USER MOD Single : A 94 MET CE :methyl -159:sc= -0.0391 (180deg=-0.577) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= -0.0168 (180deg=-0.163) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.198 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 10:sc= -0.301 USER MOD Single : A 126 ASN : amide:sc= -0.0031 X(o=-0.0031,f=0) USER MOD Single : A 127 ASN :FLIP amide:sc= -0.21 F(o=-2.5!,f=-0.21) USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 143 MET CE :methyl 141:sc= -0.441 (180deg=-0.662) USER MOD Single : A 147 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 153 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.203 -13.636 4.200 1.00 11.53 N ATOM 51 CA ASP A 39 -9.687 -13.242 2.887 1.00 24.35 C ATOM 52 C ASP A 39 -8.796 -11.995 2.971 1.00 3.11 C ATOM 53 O ASP A 39 -9.128 -11.017 3.649 1.00 21.42 O ATOM 54 CB ASP A 39 -10.844 -13.004 1.911 1.00 63.44 C ATOM 55 CG ASP A 39 -10.351 -12.627 0.526 1.00 43.22 C ATOM 56 OD1 ASP A 39 -9.740 -13.486 -0.144 1.00 52.32 O ATOM 57 OD2 ASP A 39 -10.562 -11.469 0.106 1.00 44.43 O ATOM 0 HA ASP A 39 -9.069 -14.061 2.519 1.00 24.35 H new ATOM 0 HB2 ASP A 39 -11.454 -13.905 1.846 1.00 63.44 H new ATOM 0 HB3 ASP A 39 -11.486 -12.211 2.296 1.00 63.44 H new ATOM 62 N VAL A 40 -7.673 -12.038 2.257 1.00 21.42 N ATOM 63 CA VAL A 40 -6.704 -10.940 2.248 1.00 42.50 C ATOM 64 C VAL A 40 -7.338 -9.627 1.768 1.00 42.12 C ATOM 65 O VAL A 40 -7.409 -8.655 2.522 1.00 14.42 O ATOM 66 CB VAL A 40 -5.481 -11.278 1.356 1.00 50.11 C ATOM 67 CG1 VAL A 40 -4.449 -10.150 1.387 1.00 43.33 C ATOM 68 CG2 VAL A 40 -4.852 -12.603 1.783 1.00 34.34 C ATOM 0 H VAL A 40 -7.408 -12.830 1.671 1.00 21.42 H new ATOM 0 HA VAL A 40 -6.370 -10.809 3.277 1.00 42.50 H new ATOM 0 HB VAL A 40 -5.831 -11.382 0.329 1.00 50.11 H new ATOM 0 HG11 VAL A 40 -3.602 -10.414 0.753 1.00 43.33 H new ATOM 0 HG12 VAL A 40 -4.904 -9.230 1.020 1.00 43.33 H new ATOM 0 HG13 VAL A 40 -4.104 -10.001 2.410 1.00 43.33 H new ATOM 0 HG21 VAL A 40 -3.996 -12.822 1.145 1.00 34.34 H new ATOM 0 HG22 VAL A 40 -4.523 -12.532 2.820 1.00 34.34 H new ATOM 0 HG23 VAL A 40 -5.588 -13.402 1.690 1.00 34.34 H new ATOM 78 N LYS A 41 -7.822 -9.607 0.522 1.00 65.02 N ATOM 79 CA LYS A 41 -8.409 -8.389 -0.059 1.00 14.13 C ATOM 80 C LYS A 41 -9.582 -7.877 0.792 1.00 22.34 C ATOM 81 O LYS A 41 -9.736 -6.671 0.995 1.00 62.11 O ATOM 82 CB LYS A 41 -8.875 -8.643 -1.500 1.00 2.32 C ATOM 83 CG LYS A 41 -9.370 -7.385 -2.213 1.00 33.42 C ATOM 84 CD LYS A 41 -9.804 -7.670 -3.649 1.00 72.12 C ATOM 85 CE LYS A 41 -10.223 -6.393 -4.374 1.00 54.43 C ATOM 86 NZ LYS A 41 -10.632 -6.652 -5.780 1.00 2.32 N ATOM 0 H LYS A 41 -7.821 -10.413 -0.103 1.00 65.02 H new ATOM 0 HA LYS A 41 -7.634 -7.623 -0.071 1.00 14.13 H new ATOM 0 HB2 LYS A 41 -8.051 -9.073 -2.069 1.00 2.32 H new ATOM 0 HB3 LYS A 41 -9.675 -9.383 -1.489 1.00 2.32 H new ATOM 0 HG2 LYS A 41 -10.208 -6.961 -1.659 1.00 33.42 H new ATOM 0 HG3 LYS A 41 -8.578 -6.636 -2.216 1.00 33.42 H new ATOM 0 HD2 LYS A 41 -8.985 -8.144 -4.190 1.00 72.12 H new ATOM 0 HD3 LYS A 41 -10.634 -8.376 -3.645 1.00 72.12 H new ATOM 0 HE2 LYS A 41 -11.050 -5.927 -3.837 1.00 54.43 H new ATOM 0 HE3 LYS A 41 -9.396 -5.683 -4.363 1.00 54.43 H new ATOM 0 HZ1 LYS A 41 -10.908 -5.757 -6.232 1.00 2.32 H new ATOM 0 HZ2 LYS A 41 -9.836 -7.072 -6.301 1.00 2.32 H new ATOM 0 HZ3 LYS A 41 -11.439 -7.308 -5.792 1.00 2.32 H new ATOM 100 N SER A 42 -10.402 -8.805 1.286 1.00 1.10 N ATOM 101 CA SER A 42 -11.507 -8.469 2.196 1.00 64.30 C ATOM 102 C SER A 42 -11.015 -7.682 3.419 1.00 35.41 C ATOM 103 O SER A 42 -11.570 -6.642 3.758 1.00 15.54 O ATOM 104 CB SER A 42 -12.226 -9.741 2.671 1.00 34.23 C ATOM 105 OG SER A 42 -13.172 -9.449 3.692 1.00 3.45 O ATOM 0 H SER A 42 -10.325 -9.799 1.073 1.00 1.10 H new ATOM 0 HA SER A 42 -12.202 -7.843 1.636 1.00 64.30 H new ATOM 0 HB2 SER A 42 -12.731 -10.212 1.828 1.00 34.23 H new ATOM 0 HB3 SER A 42 -11.494 -10.457 3.044 1.00 34.23 H new ATOM 0 HG SER A 42 -13.615 -10.276 3.974 1.00 3.45 H new ATOM 111 N ARG A 43 -9.967 -8.180 4.073 1.00 61.21 N ATOM 112 CA ARG A 43 -9.408 -7.513 5.259 1.00 74.04 C ATOM 113 C ARG A 43 -8.740 -6.173 4.902 1.00 10.31 C ATOM 114 O ARG A 43 -8.804 -5.215 5.673 1.00 14.00 O ATOM 115 CB ARG A 43 -8.418 -8.445 5.983 1.00 33.51 C ATOM 116 CG ARG A 43 -9.039 -9.300 7.098 1.00 24.35 C ATOM 117 CD ARG A 43 -10.162 -10.225 6.612 1.00 25.21 C ATOM 118 NE ARG A 43 -11.361 -9.497 6.183 1.00 71.30 N ATOM 119 CZ ARG A 43 -12.205 -8.912 6.994 1.00 34.22 C ATOM 120 NH1 ARG A 43 -12.058 -8.991 8.281 1.00 21.04 N ATOM 121 NH2 ARG A 43 -13.215 -8.265 6.510 1.00 40.35 N ATOM 0 H ARG A 43 -9.486 -9.039 3.807 1.00 61.21 H new ATOM 0 HA ARG A 43 -10.235 -7.290 5.933 1.00 74.04 H new ATOM 0 HB2 ARG A 43 -7.960 -9.107 5.248 1.00 33.51 H new ATOM 0 HB3 ARG A 43 -7.618 -7.841 6.410 1.00 33.51 H new ATOM 0 HG2 ARG A 43 -8.257 -9.903 7.559 1.00 24.35 H new ATOM 0 HG3 ARG A 43 -9.432 -8.642 7.873 1.00 24.35 H new ATOM 0 HD2 ARG A 43 -9.794 -10.828 5.782 1.00 25.21 H new ATOM 0 HD3 ARG A 43 -10.430 -10.914 7.413 1.00 25.21 H new ATOM 0 HE ARG A 43 -11.550 -9.443 5.182 1.00 71.30 H new ATOM 0 HH11 ARG A 43 -11.276 -9.515 8.674 1.00 21.04 H new ATOM 0 HH12 ARG A 43 -12.725 -8.529 8.900 1.00 21.04 H new ATOM 0 HH21 ARG A 43 -13.351 -8.213 5.500 1.00 40.35 H new ATOM 0 HH22 ARG A 43 -13.876 -7.807 7.138 1.00 40.35 H new ATOM 135 N ILE A 44 -8.109 -6.107 3.732 1.00 53.41 N ATOM 136 CA ILE A 44 -7.500 -4.858 3.254 1.00 32.13 C ATOM 137 C ILE A 44 -8.567 -3.763 3.056 1.00 40.34 C ATOM 138 O ILE A 44 -8.411 -2.631 3.522 1.00 12.32 O ATOM 139 CB ILE A 44 -6.734 -5.077 1.924 1.00 53.04 C ATOM 140 CG1 ILE A 44 -5.640 -6.142 2.104 1.00 53.13 C ATOM 141 CG2 ILE A 44 -6.125 -3.764 1.430 1.00 3.24 C ATOM 142 CD1 ILE A 44 -4.920 -6.508 0.821 1.00 3.50 C ATOM 0 H ILE A 44 -8.004 -6.898 3.096 1.00 53.41 H new ATOM 0 HA ILE A 44 -6.793 -4.534 4.017 1.00 32.13 H new ATOM 0 HB ILE A 44 -7.442 -5.430 1.174 1.00 53.04 H new ATOM 0 HG12 ILE A 44 -4.910 -5.780 2.828 1.00 53.13 H new ATOM 0 HG13 ILE A 44 -6.088 -7.041 2.526 1.00 53.13 H new ATOM 0 HG21 ILE A 44 -5.592 -3.939 0.496 1.00 3.24 H new ATOM 0 HG22 ILE A 44 -6.918 -3.035 1.264 1.00 3.24 H new ATOM 0 HG23 ILE A 44 -5.431 -3.381 2.178 1.00 3.24 H new ATOM 0 HD11 ILE A 44 -4.164 -7.264 1.031 1.00 3.50 H new ATOM 0 HD12 ILE A 44 -5.637 -6.902 0.101 1.00 3.50 H new ATOM 0 HD13 ILE A 44 -4.440 -5.621 0.407 1.00 3.50 H new ATOM 154 N MET A 45 -9.654 -4.111 2.364 1.00 63.33 N ATOM 155 CA MET A 45 -10.775 -3.183 2.154 1.00 62.54 C ATOM 156 C MET A 45 -11.492 -2.883 3.479 1.00 14.53 C ATOM 157 O MET A 45 -11.923 -1.755 3.725 1.00 31.11 O ATOM 158 CB MET A 45 -11.769 -3.766 1.137 1.00 33.55 C ATOM 159 CG MET A 45 -11.169 -4.085 -0.232 1.00 61.24 C ATOM 160 SD MET A 45 -10.665 -2.617 -1.170 1.00 13.52 S ATOM 161 CE MET A 45 -9.025 -2.283 -0.522 1.00 51.42 C ATOM 0 H MET A 45 -9.785 -5.029 1.938 1.00 63.33 H new ATOM 0 HA MET A 45 -10.373 -2.249 1.760 1.00 62.54 H new ATOM 0 HB2 MET A 45 -12.199 -4.678 1.551 1.00 33.55 H new ATOM 0 HB3 MET A 45 -12.588 -3.059 1.004 1.00 33.55 H new ATOM 0 HG2 MET A 45 -10.303 -4.733 -0.097 1.00 61.24 H new ATOM 0 HG3 MET A 45 -11.899 -4.645 -0.817 1.00 61.24 H new ATOM 0 HE1 MET A 45 -8.341 -2.087 -1.347 1.00 51.42 H new ATOM 0 HE2 MET A 45 -9.063 -1.412 0.133 1.00 51.42 H new ATOM 0 HE3 MET A 45 -8.674 -3.147 0.043 1.00 51.42 H new ATOM 171 N ASP A 46 -11.601 -3.904 4.326 1.00 4.32 N ATOM 172 CA ASP A 46 -12.197 -3.768 5.660 1.00 75.22 C ATOM 173 C ASP A 46 -11.458 -2.688 6.478 1.00 12.23 C ATOM 174 O ASP A 46 -12.077 -1.836 7.118 1.00 74.21 O ATOM 175 CB ASP A 46 -12.137 -5.125 6.375 1.00 0.12 C ATOM 176 CG ASP A 46 -12.935 -5.163 7.666 1.00 11.44 C ATOM 177 OD1 ASP A 46 -12.385 -4.795 8.723 1.00 4.12 O ATOM 178 OD2 ASP A 46 -14.109 -5.590 7.632 1.00 62.50 O ATOM 0 H ASP A 46 -11.281 -4.848 4.111 1.00 4.32 H new ATOM 0 HA ASP A 46 -13.237 -3.456 5.562 1.00 75.22 H new ATOM 0 HB2 ASP A 46 -12.510 -5.898 5.703 1.00 0.12 H new ATOM 0 HB3 ASP A 46 -11.097 -5.367 6.593 1.00 0.12 H new ATOM 183 N GLN A 47 -10.127 -2.731 6.436 1.00 32.35 N ATOM 184 CA GLN A 47 -9.288 -1.713 7.083 1.00 1.41 C ATOM 185 C GLN A 47 -9.447 -0.346 6.403 1.00 43.11 C ATOM 186 O GLN A 47 -9.616 0.682 7.063 1.00 51.44 O ATOM 187 CB GLN A 47 -7.817 -2.149 7.031 1.00 31.50 C ATOM 188 CG GLN A 47 -6.843 -1.155 7.657 1.00 1.41 C ATOM 189 CD GLN A 47 -7.083 -0.934 9.140 1.00 50.15 C ATOM 190 OE1 GLN A 47 -7.580 -1.806 9.847 1.00 35.21 O ATOM 191 NE2 GLN A 47 -6.711 0.229 9.628 1.00 31.32 N ATOM 0 H GLN A 47 -9.600 -3.463 5.959 1.00 32.35 H new ATOM 0 HA GLN A 47 -9.609 -1.615 8.120 1.00 1.41 H new ATOM 0 HB2 GLN A 47 -7.716 -3.107 7.540 1.00 31.50 H new ATOM 0 HB3 GLN A 47 -7.535 -2.310 5.991 1.00 31.50 H new ATOM 0 HG2 GLN A 47 -5.824 -1.513 7.510 1.00 1.41 H new ATOM 0 HG3 GLN A 47 -6.924 -0.201 7.137 1.00 1.41 H new ATOM 0 HE21 GLN A 47 -6.301 0.932 9.013 1.00 31.32 H new ATOM 0 HE22 GLN A 47 -6.832 0.428 10.621 1.00 31.32 H new ATOM 200 N TYR A 48 -9.399 -0.351 5.073 1.00 72.53 N ATOM 201 CA TYR A 48 -9.543 0.873 4.276 1.00 73.20 C ATOM 202 C TYR A 48 -10.862 1.594 4.597 1.00 75.03 C ATOM 203 O TYR A 48 -10.920 2.824 4.610 1.00 4.01 O ATOM 204 CB TYR A 48 -9.465 0.535 2.777 1.00 65.20 C ATOM 205 CG TYR A 48 -9.685 1.728 1.858 1.00 21.11 C ATOM 206 CD1 TYR A 48 -9.043 2.940 2.088 1.00 44.02 C ATOM 207 CD2 TYR A 48 -10.533 1.637 0.757 1.00 53.45 C ATOM 208 CE1 TYR A 48 -9.243 4.023 1.254 1.00 33.42 C ATOM 209 CE2 TYR A 48 -10.734 2.719 -0.081 1.00 22.52 C ATOM 210 CZ TYR A 48 -10.087 3.909 0.173 1.00 52.02 C ATOM 211 OH TYR A 48 -10.286 4.992 -0.656 1.00 71.34 O ATOM 0 H TYR A 48 -9.260 -1.195 4.517 1.00 72.53 H new ATOM 0 HA TYR A 48 -8.725 1.547 4.532 1.00 73.20 H new ATOM 0 HB2 TYR A 48 -8.488 0.101 2.564 1.00 65.20 H new ATOM 0 HB3 TYR A 48 -10.209 -0.228 2.548 1.00 65.20 H new ATOM 0 HD1 TYR A 48 -8.377 3.036 2.933 1.00 44.02 H new ATOM 0 HD2 TYR A 48 -11.042 0.706 0.554 1.00 53.45 H new ATOM 0 HE1 TYR A 48 -8.738 4.957 1.450 1.00 33.42 H new ATOM 0 HE2 TYR A 48 -11.395 2.632 -0.931 1.00 22.52 H new ATOM 0 HH TYR A 48 -9.733 5.742 -0.352 1.00 71.34 H new ATOM 221 N ALA A 49 -11.908 0.819 4.881 1.00 73.42 N ATOM 222 CA ALA A 49 -13.226 1.369 5.221 1.00 23.22 C ATOM 223 C ALA A 49 -13.162 2.360 6.399 1.00 4.03 C ATOM 224 O ALA A 49 -14.050 3.200 6.565 1.00 22.13 O ATOM 225 CB ALA A 49 -14.198 0.237 5.533 1.00 55.05 C ATOM 0 H ALA A 49 -11.870 -0.200 4.883 1.00 73.42 H new ATOM 0 HA ALA A 49 -13.581 1.926 4.354 1.00 23.22 H new ATOM 0 HB1 ALA A 49 -15.173 0.654 5.784 1.00 55.05 H new ATOM 0 HB2 ALA A 49 -14.294 -0.411 4.662 1.00 55.05 H new ATOM 0 HB3 ALA A 49 -13.823 -0.343 6.377 1.00 55.05 H new ATOM 231 N ASP A 50 -12.113 2.258 7.209 1.00 11.31 N ATOM 232 CA ASP A 50 -11.919 3.157 8.351 1.00 35.13 C ATOM 233 C ASP A 50 -11.133 4.423 7.949 1.00 32.24 C ATOM 234 O ASP A 50 -11.271 5.479 8.570 1.00 15.13 O ATOM 235 CB ASP A 50 -11.177 2.411 9.466 1.00 62.30 C ATOM 236 CG ASP A 50 -11.169 3.178 10.782 1.00 20.52 C ATOM 237 OD1 ASP A 50 -12.247 3.621 11.228 1.00 14.23 O ATOM 238 OD2 ASP A 50 -10.085 3.338 11.386 1.00 1.41 O ATOM 0 H ASP A 50 -11.378 1.559 7.098 1.00 11.31 H new ATOM 0 HA ASP A 50 -12.899 3.475 8.706 1.00 35.13 H new ATOM 0 HB2 ASP A 50 -11.644 1.438 9.620 1.00 62.30 H new ATOM 0 HB3 ASP A 50 -10.150 2.225 9.152 1.00 62.30 H new ATOM 243 N TRP A 51 -10.314 4.309 6.904 1.00 63.43 N ATOM 244 CA TRP A 51 -9.421 5.405 6.487 1.00 14.11 C ATOM 245 C TRP A 51 -9.825 6.031 5.134 1.00 34.32 C ATOM 246 O TRP A 51 -9.063 6.807 4.550 1.00 64.34 O ATOM 247 CB TRP A 51 -7.976 4.883 6.417 1.00 52.25 C ATOM 248 CG TRP A 51 -7.459 4.391 7.742 1.00 34.20 C ATOM 249 CD1 TRP A 51 -7.710 3.181 8.327 1.00 1.44 C ATOM 250 CD2 TRP A 51 -6.601 5.100 8.648 1.00 11.33 C ATOM 251 NE1 TRP A 51 -7.074 3.103 9.542 1.00 32.53 N ATOM 252 CE2 TRP A 51 -6.383 4.264 9.758 1.00 61.50 C ATOM 253 CE3 TRP A 51 -5.999 6.360 8.627 1.00 5.10 C ATOM 254 CZ2 TRP A 51 -5.587 4.646 10.835 1.00 74.51 C ATOM 255 CZ3 TRP A 51 -5.211 6.741 9.696 1.00 11.24 C ATOM 256 CH2 TRP A 51 -5.012 5.887 10.788 1.00 51.34 C ATOM 0 H TRP A 51 -10.246 3.471 6.326 1.00 63.43 H new ATOM 0 HA TRP A 51 -9.505 6.196 7.232 1.00 14.11 H new ATOM 0 HB2 TRP A 51 -7.924 4.072 5.690 1.00 52.25 H new ATOM 0 HB3 TRP A 51 -7.326 5.679 6.053 1.00 52.25 H new ATOM 0 HD1 TRP A 51 -8.320 2.400 7.897 1.00 1.44 H new ATOM 0 HE1 TRP A 51 -7.111 2.308 10.180 1.00 32.53 H new ATOM 0 HE3 TRP A 51 -6.147 7.025 7.789 1.00 5.10 H new ATOM 0 HZ2 TRP A 51 -5.429 3.987 11.676 1.00 74.51 H new ATOM 0 HZ3 TRP A 51 -4.741 7.713 9.689 1.00 11.24 H new ATOM 0 HH2 TRP A 51 -4.392 6.214 11.610 1.00 51.34 H new ATOM 267 N LYS A 52 -11.023 5.710 4.642 1.00 71.33 N ATOM 268 CA LYS A 52 -11.513 6.279 3.375 1.00 52.24 C ATOM 269 C LYS A 52 -11.648 7.809 3.455 1.00 65.02 C ATOM 270 O LYS A 52 -12.586 8.327 4.062 1.00 20.45 O ATOM 271 CB LYS A 52 -12.871 5.670 2.981 1.00 54.33 C ATOM 272 CG LYS A 52 -12.836 4.166 2.747 1.00 74.31 C ATOM 273 CD LYS A 52 -14.169 3.614 2.231 1.00 62.31 C ATOM 274 CE LYS A 52 -15.318 3.798 3.227 1.00 3.32 C ATOM 275 NZ LYS A 52 -15.876 5.179 3.215 1.00 73.23 N ATOM 0 H LYS A 52 -11.671 5.065 5.094 1.00 71.33 H new ATOM 0 HA LYS A 52 -10.774 6.032 2.613 1.00 52.24 H new ATOM 0 HB2 LYS A 52 -13.596 5.888 3.766 1.00 54.33 H new ATOM 0 HB3 LYS A 52 -13.227 6.159 2.074 1.00 54.33 H new ATOM 0 HG2 LYS A 52 -12.049 3.933 2.029 1.00 74.31 H new ATOM 0 HG3 LYS A 52 -12.576 3.664 3.679 1.00 74.31 H new ATOM 0 HD2 LYS A 52 -14.424 4.111 1.295 1.00 62.31 H new ATOM 0 HD3 LYS A 52 -14.055 2.553 2.008 1.00 62.31 H new ATOM 0 HE2 LYS A 52 -16.112 3.088 2.994 1.00 3.32 H new ATOM 0 HE3 LYS A 52 -14.964 3.563 4.231 1.00 3.32 H new ATOM 0 HZ1 LYS A 52 -15.608 5.669 4.092 1.00 73.23 H new ATOM 0 HZ2 LYS A 52 -15.497 5.699 2.398 1.00 73.23 H new ATOM 0 HZ3 LYS A 52 -16.913 5.134 3.146 1.00 73.23 H new ATOM 289 N GLY A 53 -10.700 8.529 2.857 1.00 54.12 N ATOM 290 CA GLY A 53 -10.790 9.988 2.802 1.00 21.01 C ATOM 291 C GLY A 53 -9.731 10.714 3.633 1.00 42.22 C ATOM 292 O GLY A 53 -9.698 11.944 3.659 1.00 51.23 O ATOM 0 H GLY A 53 -9.873 8.134 2.410 1.00 54.12 H new ATOM 0 HA2 GLY A 53 -10.702 10.307 1.763 1.00 21.01 H new ATOM 0 HA3 GLY A 53 -11.778 10.293 3.147 1.00 21.01 H new ATOM 296 N VAL A 54 -8.869 9.966 4.319 1.00 52.23 N ATOM 297 CA VAL A 54 -7.791 10.578 5.110 1.00 42.01 C ATOM 298 C VAL A 54 -6.695 11.166 4.199 1.00 54.12 C ATOM 299 O VAL A 54 -6.311 10.557 3.199 1.00 4.51 O ATOM 300 CB VAL A 54 -7.159 9.561 6.096 1.00 2.35 C ATOM 301 CG1 VAL A 54 -6.065 10.218 6.939 1.00 23.42 C ATOM 302 CG2 VAL A 54 -8.233 8.944 6.992 1.00 4.14 C ATOM 0 H VAL A 54 -8.890 8.947 4.347 1.00 52.23 H new ATOM 0 HA VAL A 54 -8.242 11.386 5.687 1.00 42.01 H new ATOM 0 HB VAL A 54 -6.698 8.765 5.510 1.00 2.35 H new ATOM 0 HG11 VAL A 54 -5.640 9.482 7.621 1.00 23.42 H new ATOM 0 HG12 VAL A 54 -5.282 10.601 6.285 1.00 23.42 H new ATOM 0 HG13 VAL A 54 -6.492 11.040 7.513 1.00 23.42 H new ATOM 0 HG21 VAL A 54 -7.771 8.233 7.677 1.00 4.14 H new ATOM 0 HG22 VAL A 54 -8.726 9.730 7.563 1.00 4.14 H new ATOM 0 HG23 VAL A 54 -8.969 8.428 6.375 1.00 4.14 H new ATOM 312 N ARG A 55 -6.199 12.353 4.554 1.00 31.11 N ATOM 313 CA ARG A 55 -5.182 13.051 3.751 1.00 14.02 C ATOM 314 C ARG A 55 -3.769 12.480 3.976 1.00 62.33 C ATOM 315 O ARG A 55 -3.507 11.804 4.969 1.00 13.31 O ATOM 316 CB ARG A 55 -5.200 14.552 4.072 1.00 74.22 C ATOM 317 CG ARG A 55 -6.507 15.249 3.694 1.00 40.11 C ATOM 318 CD ARG A 55 -6.756 15.218 2.188 1.00 32.13 C ATOM 319 NE ARG A 55 -8.028 15.840 1.827 1.00 1.23 N ATOM 320 CZ ARG A 55 -8.434 16.029 0.599 1.00 44.51 C ATOM 321 NH1 ARG A 55 -7.689 15.698 -0.405 1.00 10.44 N ATOM 322 NH2 ARG A 55 -9.588 16.563 0.382 1.00 33.21 N ATOM 0 H ARG A 55 -6.484 12.856 5.395 1.00 31.11 H new ATOM 0 HA ARG A 55 -5.432 12.896 2.701 1.00 14.02 H new ATOM 0 HB2 ARG A 55 -5.022 14.688 5.139 1.00 74.22 H new ATOM 0 HB3 ARG A 55 -4.376 15.036 3.547 1.00 74.22 H new ATOM 0 HG2 ARG A 55 -7.338 14.766 4.209 1.00 40.11 H new ATOM 0 HG3 ARG A 55 -6.478 16.284 4.036 1.00 40.11 H new ATOM 0 HD2 ARG A 55 -5.943 15.733 1.676 1.00 32.13 H new ATOM 0 HD3 ARG A 55 -6.747 14.185 1.841 1.00 32.13 H new ATOM 0 HE ARG A 55 -8.640 16.147 2.583 1.00 1.23 H new ATOM 0 HH11 ARG A 55 -6.771 15.283 -0.244 1.00 10.44 H new ATOM 0 HH12 ARG A 55 -8.019 15.852 -1.358 1.00 10.44 H new ATOM 0 HH21 ARG A 55 -10.179 16.836 1.167 1.00 33.21 H new ATOM 0 HH22 ARG A 55 -9.909 16.712 -0.575 1.00 33.21 H new ATOM 336 N TYR A 56 -2.860 12.786 3.051 1.00 31.44 N ATOM 337 CA TYR A 56 -1.490 12.249 3.081 1.00 63.33 C ATOM 338 C TYR A 56 -0.563 13.073 3.995 1.00 52.52 C ATOM 339 O TYR A 56 -0.345 14.265 3.761 1.00 12.34 O ATOM 340 CB TYR A 56 -0.932 12.231 1.655 1.00 72.10 C ATOM 341 CG TYR A 56 0.394 11.507 1.490 1.00 0.34 C ATOM 342 CD1 TYR A 56 0.429 10.146 1.219 1.00 22.21 C ATOM 343 CD2 TYR A 56 1.609 12.184 1.573 1.00 74.32 C ATOM 344 CE1 TYR A 56 1.624 9.478 1.039 1.00 74.20 C ATOM 345 CE2 TYR A 56 2.810 11.523 1.388 1.00 3.21 C ATOM 346 CZ TYR A 56 2.811 10.168 1.122 1.00 13.25 C ATOM 347 OH TYR A 56 4.004 9.502 0.935 1.00 53.42 O ATOM 0 H TYR A 56 -3.045 13.408 2.264 1.00 31.44 H new ATOM 0 HA TYR A 56 -1.530 11.239 3.489 1.00 63.33 H new ATOM 0 HB2 TYR A 56 -1.667 11.764 1.000 1.00 72.10 H new ATOM 0 HB3 TYR A 56 -0.811 13.260 1.316 1.00 72.10 H new ATOM 0 HD1 TYR A 56 -0.499 9.598 1.147 1.00 22.21 H new ATOM 0 HD2 TYR A 56 1.613 13.243 1.785 1.00 74.32 H new ATOM 0 HE1 TYR A 56 1.627 8.418 0.834 1.00 74.20 H new ATOM 0 HE2 TYR A 56 3.742 12.064 1.451 1.00 3.21 H new ATOM 0 HH TYR A 56 3.874 8.545 1.102 1.00 53.42 H new ATOM 357 N ARG A 57 -0.030 12.436 5.036 1.00 41.34 N ATOM 358 CA ARG A 57 0.947 13.078 5.928 1.00 53.12 C ATOM 359 C ARG A 57 2.093 12.116 6.287 1.00 23.44 C ATOM 360 O ARG A 57 1.858 11.038 6.828 1.00 50.23 O ATOM 361 CB ARG A 57 0.268 13.585 7.207 1.00 43.13 C ATOM 362 CG ARG A 57 1.234 14.242 8.188 1.00 24.01 C ATOM 363 CD ARG A 57 0.519 14.852 9.383 1.00 62.43 C ATOM 364 NE ARG A 57 1.462 15.470 10.313 1.00 62.44 N ATOM 365 CZ ARG A 57 1.214 16.539 11.017 1.00 5.45 C ATOM 366 NH1 ARG A 57 0.074 17.143 10.932 1.00 2.14 N ATOM 367 NH2 ARG A 57 2.117 17.007 11.810 1.00 55.31 N ATOM 0 H ARG A 57 -0.256 11.473 5.287 1.00 41.34 H new ATOM 0 HA ARG A 57 1.368 13.929 5.392 1.00 53.12 H new ATOM 0 HB2 ARG A 57 -0.508 14.302 6.938 1.00 43.13 H new ATOM 0 HB3 ARG A 57 -0.228 12.750 7.702 1.00 43.13 H new ATOM 0 HG2 ARG A 57 1.953 13.501 8.537 1.00 24.01 H new ATOM 0 HG3 ARG A 57 1.800 15.017 7.672 1.00 24.01 H new ATOM 0 HD2 ARG A 57 -0.196 15.599 9.038 1.00 62.43 H new ATOM 0 HD3 ARG A 57 -0.051 14.080 9.900 1.00 62.43 H new ATOM 0 HE ARG A 57 2.378 15.035 10.419 1.00 62.44 H new ATOM 0 HH11 ARG A 57 -0.648 16.784 10.307 1.00 2.14 H new ATOM 0 HH12 ARG A 57 -0.103 17.978 11.490 1.00 2.14 H new ATOM 0 HH21 ARG A 57 3.021 16.541 11.885 1.00 55.31 H new ATOM 0 HH22 ARG A 57 1.927 17.843 12.362 1.00 55.31 H new ATOM 381 N LEU A 58 3.327 12.529 6.007 1.00 24.23 N ATOM 382 CA LEU A 58 4.512 11.687 6.238 1.00 35.13 C ATOM 383 C LEU A 58 4.825 11.509 7.735 1.00 43.21 C ATOM 384 O LEU A 58 5.133 12.479 8.432 1.00 54.34 O ATOM 385 CB LEU A 58 5.733 12.299 5.532 1.00 41.23 C ATOM 386 CG LEU A 58 5.664 12.327 3.996 1.00 1.00 C ATOM 387 CD1 LEU A 58 6.846 13.101 3.412 1.00 62.14 C ATOM 388 CD2 LEU A 58 5.625 10.905 3.444 1.00 74.11 C ATOM 0 H LEU A 58 3.539 13.447 5.617 1.00 24.23 H new ATOM 0 HA LEU A 58 4.290 10.702 5.827 1.00 35.13 H new ATOM 0 HB2 LEU A 58 5.865 13.320 5.891 1.00 41.23 H new ATOM 0 HB3 LEU A 58 6.620 11.740 5.828 1.00 41.23 H new ATOM 0 HG LEU A 58 4.748 12.840 3.701 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.775 13.107 2.324 1.00 62.14 H new ATOM 0 HD12 LEU A 58 6.828 14.126 3.782 1.00 62.14 H new ATOM 0 HD13 LEU A 58 7.778 12.623 3.712 1.00 62.14 H new ATOM 0 HD21 LEU A 58 5.576 10.938 2.356 1.00 74.11 H new ATOM 0 HD22 LEU A 58 6.524 10.371 3.751 1.00 74.11 H new ATOM 0 HD23 LEU A 58 4.747 10.389 3.831 1.00 74.11 H new ATOM 400 N GLY A 59 4.745 10.271 8.223 1.00 32.21 N ATOM 401 CA GLY A 59 5.166 9.964 9.591 1.00 61.14 C ATOM 402 C GLY A 59 4.058 10.113 10.632 1.00 61.12 C ATOM 403 O GLY A 59 3.838 9.214 11.446 1.00 24.22 O ATOM 0 H GLY A 59 4.396 9.470 7.697 1.00 32.21 H new ATOM 0 HA2 GLY A 59 5.545 8.942 9.623 1.00 61.14 H new ATOM 0 HA3 GLY A 59 5.994 10.619 9.861 1.00 61.14 H new ATOM 407 N GLY A 60 3.370 11.256 10.622 1.00 20.43 N ATOM 408 CA GLY A 60 2.299 11.506 11.587 1.00 72.15 C ATOM 409 C GLY A 60 1.025 10.722 11.289 1.00 41.21 C ATOM 410 O GLY A 60 -0.006 11.308 10.964 1.00 63.51 O ATOM 0 H GLY A 60 3.533 12.017 9.963 1.00 20.43 H new ATOM 0 HA2 GLY A 60 2.651 11.248 12.586 1.00 72.15 H new ATOM 0 HA3 GLY A 60 2.068 12.571 11.596 1.00 72.15 H new ATOM 414 N SER A 61 1.093 9.398 11.437 1.00 30.11 N ATOM 415 CA SER A 61 -0.019 8.503 11.070 1.00 75.23 C ATOM 416 C SER A 61 -1.228 8.653 12.011 1.00 3.22 C ATOM 417 O SER A 61 -1.185 8.240 13.172 1.00 32.23 O ATOM 418 CB SER A 61 0.455 7.040 11.069 1.00 43.31 C ATOM 419 OG SER A 61 1.540 6.839 10.172 1.00 62.25 O ATOM 0 H SER A 61 1.910 8.914 11.810 1.00 30.11 H new ATOM 0 HA SER A 61 -0.342 8.790 10.069 1.00 75.23 H new ATOM 0 HB2 SER A 61 0.758 6.755 12.076 1.00 43.31 H new ATOM 0 HB3 SER A 61 -0.374 6.389 10.789 1.00 43.31 H new ATOM 0 HG SER A 61 1.816 5.899 10.198 1.00 62.25 H new ATOM 425 N THR A 62 -2.301 9.248 11.496 1.00 12.32 N ATOM 426 CA THR A 62 -3.554 9.413 12.247 1.00 2.02 C ATOM 427 C THR A 62 -4.702 9.823 11.310 1.00 73.01 C ATOM 428 O THR A 62 -4.487 10.065 10.123 1.00 3.04 O ATOM 429 CB THR A 62 -3.410 10.470 13.374 1.00 61.45 C ATOM 430 OG1 THR A 62 -4.668 10.665 14.049 1.00 62.53 O ATOM 431 CG2 THR A 62 -2.912 11.798 12.817 1.00 32.24 C ATOM 0 H THR A 62 -2.332 9.630 10.551 1.00 12.32 H new ATOM 0 HA THR A 62 -3.783 8.449 12.702 1.00 2.02 H new ATOM 0 HB THR A 62 -2.677 10.096 14.089 1.00 61.45 H new ATOM 0 HG1 THR A 62 -4.564 10.457 15.001 1.00 62.53 H new ATOM 0 HG21 THR A 62 -2.820 12.521 13.628 1.00 32.24 H new ATOM 0 HG22 THR A 62 -1.939 11.654 12.347 1.00 32.24 H new ATOM 0 HG23 THR A 62 -3.620 12.171 12.077 1.00 32.24 H new ATOM 439 N LYS A 63 -5.919 9.916 11.841 1.00 14.43 N ATOM 440 CA LYS A 63 -7.093 10.288 11.029 1.00 41.45 C ATOM 441 C LYS A 63 -7.026 11.748 10.541 1.00 71.20 C ATOM 442 O LYS A 63 -7.852 12.182 9.738 1.00 71.10 O ATOM 443 CB LYS A 63 -8.386 10.051 11.825 1.00 44.21 C ATOM 444 CG LYS A 63 -8.684 8.575 12.094 1.00 61.33 C ATOM 445 CD LYS A 63 -8.993 7.815 10.805 1.00 20.51 C ATOM 446 CE LYS A 63 -9.298 6.342 11.068 1.00 34.42 C ATOM 447 NZ LYS A 63 -10.499 6.150 11.925 1.00 25.32 N ATOM 0 H LYS A 63 -6.126 9.741 12.824 1.00 14.43 H new ATOM 0 HA LYS A 63 -7.091 9.651 10.144 1.00 41.45 H new ATOM 0 HB2 LYS A 63 -8.317 10.577 12.777 1.00 44.21 H new ATOM 0 HB3 LYS A 63 -9.223 10.487 11.279 1.00 44.21 H new ATOM 0 HG2 LYS A 63 -7.829 8.116 12.591 1.00 61.33 H new ATOM 0 HG3 LYS A 63 -9.530 8.493 12.776 1.00 61.33 H new ATOM 0 HD2 LYS A 63 -9.845 8.278 10.306 1.00 20.51 H new ATOM 0 HD3 LYS A 63 -8.144 7.894 10.125 1.00 20.51 H new ATOM 0 HE2 LYS A 63 -9.449 5.831 10.117 1.00 34.42 H new ATOM 0 HE3 LYS A 63 -8.437 5.876 11.547 1.00 34.42 H new ATOM 0 HZ1 LYS A 63 -10.555 5.156 12.226 1.00 25.32 H new ATOM 0 HZ2 LYS A 63 -10.429 6.762 12.763 1.00 25.32 H new ATOM 0 HZ3 LYS A 63 -11.353 6.397 11.386 1.00 25.32 H new ATOM 461 N LYS A 64 -6.049 12.504 11.039 1.00 34.11 N ATOM 462 CA LYS A 64 -5.809 13.876 10.566 1.00 3.14 C ATOM 463 C LYS A 64 -4.690 13.913 9.506 1.00 63.33 C ATOM 464 O LYS A 64 -4.246 14.987 9.086 1.00 34.21 O ATOM 465 CB LYS A 64 -5.457 14.805 11.743 1.00 34.33 C ATOM 466 CG LYS A 64 -6.625 15.102 12.687 1.00 14.23 C ATOM 467 CD LYS A 64 -6.940 13.932 13.621 1.00 51.01 C ATOM 468 CE LYS A 64 -5.828 13.705 14.641 1.00 1.44 C ATOM 469 NZ LYS A 64 -6.149 12.605 15.585 1.00 2.24 N ATOM 0 H LYS A 64 -5.408 12.194 11.770 1.00 34.11 H new ATOM 0 HA LYS A 64 -6.729 14.231 10.103 1.00 3.14 H new ATOM 0 HB2 LYS A 64 -4.648 14.353 12.317 1.00 34.33 H new ATOM 0 HB3 LYS A 64 -5.079 15.747 11.346 1.00 34.33 H new ATOM 0 HG2 LYS A 64 -6.390 15.984 13.283 1.00 14.23 H new ATOM 0 HG3 LYS A 64 -7.511 15.341 12.099 1.00 14.23 H new ATOM 0 HD2 LYS A 64 -7.877 14.126 14.142 1.00 51.01 H new ATOM 0 HD3 LYS A 64 -7.084 13.026 13.033 1.00 51.01 H new ATOM 0 HE2 LYS A 64 -4.900 13.474 14.119 1.00 1.44 H new ATOM 0 HE3 LYS A 64 -5.658 14.624 15.201 1.00 1.44 H new ATOM 0 HZ1 LYS A 64 -5.516 12.659 16.409 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -7.136 12.695 15.900 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -6.020 11.690 15.108 1.00 2.24 H new ATOM 483 N GLY A 65 -4.247 12.735 9.073 1.00 51.25 N ATOM 484 CA GLY A 65 -3.192 12.636 8.070 1.00 41.32 C ATOM 485 C GLY A 65 -2.364 11.361 8.213 1.00 23.24 C ATOM 486 O GLY A 65 -1.973 10.993 9.316 1.00 63.33 O ATOM 0 H GLY A 65 -4.602 11.837 9.401 1.00 51.25 H new ATOM 0 HA2 GLY A 65 -3.637 12.666 7.076 1.00 41.32 H new ATOM 0 HA3 GLY A 65 -2.536 13.502 8.152 1.00 41.32 H new ATOM 490 N ILE A 66 -2.102 10.682 7.101 1.00 20.21 N ATOM 491 CA ILE A 66 -1.304 9.450 7.115 1.00 23.01 C ATOM 492 C ILE A 66 -0.631 9.225 5.748 1.00 25.23 C ATOM 493 O ILE A 66 -1.194 9.574 4.710 1.00 70.21 O ATOM 494 CB ILE A 66 -2.185 8.228 7.488 1.00 41.31 C ATOM 495 CG1 ILE A 66 -1.322 6.977 7.711 1.00 14.11 C ATOM 496 CG2 ILE A 66 -3.242 7.973 6.412 1.00 23.42 C ATOM 497 CD1 ILE A 66 -2.101 5.794 8.244 1.00 41.14 C ATOM 0 H ILE A 66 -2.429 10.960 6.176 1.00 20.21 H new ATOM 0 HA ILE A 66 -0.527 9.559 7.872 1.00 23.01 H new ATOM 0 HB ILE A 66 -2.698 8.455 8.423 1.00 41.31 H new ATOM 0 HG12 ILE A 66 -0.851 6.697 6.769 1.00 14.11 H new ATOM 0 HG13 ILE A 66 -0.520 7.218 8.409 1.00 14.11 H new ATOM 0 HG21 ILE A 66 -3.848 7.112 6.694 1.00 23.42 H new ATOM 0 HG22 ILE A 66 -3.881 8.851 6.315 1.00 23.42 H new ATOM 0 HG23 ILE A 66 -2.751 7.774 5.459 1.00 23.42 H new ATOM 0 HD11 ILE A 66 -1.429 4.946 8.378 1.00 41.14 H new ATOM 0 HD12 ILE A 66 -2.550 6.056 9.202 1.00 41.14 H new ATOM 0 HD13 ILE A 66 -2.886 5.527 7.537 1.00 41.14 H new ATOM 509 N ASP A 67 0.583 8.681 5.747 1.00 54.14 N ATOM 510 CA ASP A 67 1.335 8.484 4.502 1.00 72.51 C ATOM 511 C ASP A 67 1.191 7.053 3.951 1.00 61.40 C ATOM 512 O ASP A 67 0.434 6.236 4.480 1.00 12.21 O ATOM 513 CB ASP A 67 2.811 8.809 4.738 1.00 22.44 C ATOM 514 CG ASP A 67 3.440 7.888 5.765 1.00 12.35 C ATOM 515 OD1 ASP A 67 3.218 8.102 6.976 1.00 31.34 O ATOM 516 OD2 ASP A 67 4.135 6.936 5.358 1.00 62.35 O ATOM 0 H ASP A 67 1.069 8.369 6.588 1.00 54.14 H new ATOM 0 HA ASP A 67 0.919 9.159 3.754 1.00 72.51 H new ATOM 0 HB2 ASP A 67 3.355 8.727 3.797 1.00 22.44 H new ATOM 0 HB3 ASP A 67 2.905 9.842 5.072 1.00 22.44 H new ATOM 521 N CYS A 68 1.936 6.761 2.883 1.00 51.30 N ATOM 522 CA CYS A 68 1.909 5.439 2.241 1.00 12.31 C ATOM 523 C CYS A 68 2.396 4.340 3.196 1.00 3.41 C ATOM 524 O CYS A 68 1.727 3.319 3.379 1.00 54.32 O ATOM 525 CB CYS A 68 2.776 5.449 0.978 1.00 45.53 C ATOM 526 SG CYS A 68 4.515 5.867 1.274 1.00 62.24 S ATOM 0 H CYS A 68 2.571 7.425 2.440 1.00 51.30 H new ATOM 0 HA CYS A 68 0.875 5.221 1.972 1.00 12.31 H new ATOM 0 HB2 CYS A 68 2.725 4.467 0.508 1.00 45.53 H new ATOM 0 HB3 CYS A 68 2.358 6.164 0.269 1.00 45.53 H new ATOM 0 HG CYS A 68 5.005 6.456 0.224 1.00 62.24 H new ATOM 532 N SER A 69 3.558 4.560 3.807 1.00 15.51 N ATOM 533 CA SER A 69 4.138 3.589 4.745 1.00 52.24 C ATOM 534 C SER A 69 3.319 3.503 6.033 1.00 21.40 C ATOM 535 O SER A 69 3.178 2.429 6.619 1.00 64.43 O ATOM 536 CB SER A 69 5.595 3.943 5.067 1.00 64.41 C ATOM 537 OG SER A 69 6.433 3.714 3.948 1.00 44.44 O ATOM 0 H SER A 69 4.120 5.401 3.672 1.00 15.51 H new ATOM 0 HA SER A 69 4.115 2.613 4.261 1.00 52.24 H new ATOM 0 HB2 SER A 69 5.661 4.989 5.367 1.00 64.41 H new ATOM 0 HB3 SER A 69 5.940 3.347 5.912 1.00 64.41 H new ATOM 0 HG SER A 69 6.390 2.768 3.695 1.00 44.44 H new ATOM 543 N GLY A 70 2.782 4.635 6.469 1.00 3.11 N ATOM 544 CA GLY A 70 1.882 4.649 7.614 1.00 70.21 C ATOM 545 C GLY A 70 0.613 3.833 7.377 1.00 13.22 C ATOM 546 O GLY A 70 0.186 3.066 8.244 1.00 5.35 O ATOM 0 H GLY A 70 2.952 5.549 6.050 1.00 3.11 H new ATOM 0 HA2 GLY A 70 2.404 4.256 8.486 1.00 70.21 H new ATOM 0 HA3 GLY A 70 1.609 5.679 7.844 1.00 70.21 H new ATOM 550 N PHE A 71 0.007 3.993 6.198 1.00 22.11 N ATOM 551 CA PHE A 71 -1.226 3.269 5.855 1.00 42.32 C ATOM 552 C PHE A 71 -0.984 1.755 5.744 1.00 43.43 C ATOM 553 O PHE A 71 -1.710 0.956 6.344 1.00 30.23 O ATOM 554 CB PHE A 71 -1.824 3.805 4.545 1.00 43.53 C ATOM 555 CG PHE A 71 -3.093 3.096 4.131 1.00 30.15 C ATOM 556 CD1 PHE A 71 -4.266 3.265 4.854 1.00 22.35 C ATOM 557 CD2 PHE A 71 -3.110 2.252 3.027 1.00 35.23 C ATOM 558 CE1 PHE A 71 -5.426 2.610 4.485 1.00 35.21 C ATOM 559 CE2 PHE A 71 -4.268 1.594 2.656 1.00 71.44 C ATOM 560 CZ PHE A 71 -5.427 1.774 3.386 1.00 31.22 C ATOM 0 H PHE A 71 0.347 4.615 5.464 1.00 22.11 H new ATOM 0 HA PHE A 71 -1.936 3.437 6.664 1.00 42.32 H new ATOM 0 HB2 PHE A 71 -2.031 4.869 4.657 1.00 43.53 H new ATOM 0 HB3 PHE A 71 -1.085 3.706 3.750 1.00 43.53 H new ATOM 0 HD1 PHE A 71 -4.272 3.916 5.715 1.00 22.35 H new ATOM 0 HD2 PHE A 71 -2.207 2.108 2.452 1.00 35.23 H new ATOM 0 HE1 PHE A 71 -6.331 2.752 5.056 1.00 35.21 H new ATOM 0 HE2 PHE A 71 -4.267 0.940 1.797 1.00 71.44 H new ATOM 0 HZ PHE A 71 -6.333 1.261 3.097 1.00 31.22 H new ATOM 570 N VAL A 72 0.029 1.360 4.973 1.00 3.24 N ATOM 571 CA VAL A 72 0.366 -0.062 4.826 1.00 74.02 C ATOM 572 C VAL A 72 0.760 -0.675 6.183 1.00 41.41 C ATOM 573 O VAL A 72 0.416 -1.820 6.485 1.00 15.22 O ATOM 574 CB VAL A 72 1.502 -0.282 3.791 1.00 21.23 C ATOM 575 CG1 VAL A 72 2.821 0.312 4.269 1.00 72.24 C ATOM 576 CG2 VAL A 72 1.659 -1.765 3.470 1.00 63.54 C ATOM 0 H VAL A 72 0.627 1.995 4.444 1.00 3.24 H new ATOM 0 HA VAL A 72 -0.527 -0.566 4.456 1.00 74.02 H new ATOM 0 HB VAL A 72 1.221 0.241 2.877 1.00 21.23 H new ATOM 0 HG11 VAL A 72 3.592 0.138 3.518 1.00 72.24 H new ATOM 0 HG12 VAL A 72 2.702 1.384 4.425 1.00 72.24 H new ATOM 0 HG13 VAL A 72 3.114 -0.161 5.206 1.00 72.24 H new ATOM 0 HG21 VAL A 72 2.460 -1.897 2.743 1.00 63.54 H new ATOM 0 HG22 VAL A 72 1.903 -2.311 4.382 1.00 63.54 H new ATOM 0 HG23 VAL A 72 0.726 -2.148 3.056 1.00 63.54 H new ATOM 586 N GLN A 73 1.467 0.110 7.001 1.00 35.13 N ATOM 587 CA GLN A 73 1.783 -0.270 8.384 1.00 2.04 C ATOM 588 C GLN A 73 0.503 -0.622 9.156 1.00 15.41 C ATOM 589 O GLN A 73 0.346 -1.738 9.652 1.00 33.43 O ATOM 590 CB GLN A 73 2.498 0.894 9.083 1.00 34.33 C ATOM 591 CG GLN A 73 2.791 0.665 10.563 1.00 62.44 C ATOM 592 CD GLN A 73 2.979 1.967 11.329 1.00 53.05 C ATOM 593 OE1 GLN A 73 3.451 3.001 10.657 1.00 73.02 O flip ATOM 594 NE2 GLN A 73 2.688 2.050 12.516 1.00 12.40 N flip ATOM 0 H GLN A 73 1.835 1.021 6.727 1.00 35.13 H new ATOM 0 HA GLN A 73 2.431 -1.146 8.366 1.00 2.04 H new ATOM 0 HB2 GLN A 73 3.438 1.088 8.566 1.00 34.33 H new ATOM 0 HB3 GLN A 73 1.887 1.791 8.982 1.00 34.33 H new ATOM 0 HG2 GLN A 73 1.972 0.100 11.009 1.00 62.44 H new ATOM 0 HG3 GLN A 73 3.690 0.056 10.662 1.00 62.44 H new ATOM 0 HE21 GLN A 73 2.325 1.235 13.010 1.00 12.40 H new ATOM 0 HE22 GLN A 73 2.808 2.934 13.010 1.00 12.40 H new ATOM 603 N ARG A 74 -0.411 0.348 9.241 1.00 4.34 N ATOM 604 CA ARG A 74 -1.690 0.163 9.933 1.00 52.23 C ATOM 605 C ARG A 74 -2.432 -1.087 9.437 1.00 54.42 C ATOM 606 O ARG A 74 -2.759 -1.976 10.222 1.00 20.20 O ATOM 607 CB ARG A 74 -2.579 1.403 9.744 1.00 21.03 C ATOM 608 CG ARG A 74 -2.077 2.650 10.473 1.00 50.54 C ATOM 609 CD ARG A 74 -2.053 2.453 11.988 1.00 31.40 C ATOM 610 NE ARG A 74 -3.323 1.934 12.489 1.00 72.15 N ATOM 611 CZ ARG A 74 -3.862 2.253 13.633 1.00 45.22 C ATOM 612 NH1 ARG A 74 -3.276 3.082 14.438 1.00 63.14 N ATOM 613 NH2 ARG A 74 -4.989 1.721 13.971 1.00 20.21 N ATOM 0 H ARG A 74 -0.288 1.276 8.836 1.00 4.34 H new ATOM 0 HA ARG A 74 -1.472 0.026 10.992 1.00 52.23 H new ATOM 0 HB2 ARG A 74 -2.654 1.624 8.679 1.00 21.03 H new ATOM 0 HB3 ARG A 74 -3.585 1.172 10.093 1.00 21.03 H new ATOM 0 HG2 ARG A 74 -1.075 2.896 10.123 1.00 50.54 H new ATOM 0 HG3 ARG A 74 -2.718 3.497 10.227 1.00 50.54 H new ATOM 0 HD2 ARG A 74 -1.250 1.765 12.252 1.00 31.40 H new ATOM 0 HD3 ARG A 74 -1.832 3.403 12.474 1.00 31.40 H new ATOM 0 HE ARG A 74 -3.827 1.272 11.899 1.00 72.15 H new ATOM 0 HH11 ARG A 74 -2.380 3.496 14.181 1.00 63.14 H new ATOM 0 HH12 ARG A 74 -3.711 3.321 15.329 1.00 63.14 H new ATOM 0 HH21 ARG A 74 -5.448 1.059 13.346 1.00 20.21 H new ATOM 0 HH22 ARG A 74 -5.420 1.963 14.863 1.00 20.21 H new ATOM 627 N THR A 75 -2.665 -1.152 8.128 1.00 53.32 N ATOM 628 CA THR A 75 -3.420 -2.253 7.516 1.00 34.31 C ATOM 629 C THR A 75 -2.926 -3.631 7.981 1.00 13.10 C ATOM 630 O THR A 75 -3.689 -4.426 8.526 1.00 73.01 O ATOM 631 CB THR A 75 -3.353 -2.190 5.969 1.00 73.22 C ATOM 632 OG1 THR A 75 -3.839 -0.920 5.505 1.00 11.03 O ATOM 633 CG2 THR A 75 -4.176 -3.309 5.333 1.00 61.43 C ATOM 0 H THR A 75 -2.340 -0.451 7.462 1.00 53.32 H new ATOM 0 HA THR A 75 -4.452 -2.128 7.843 1.00 34.31 H new ATOM 0 HB THR A 75 -2.311 -2.315 5.676 1.00 73.22 H new ATOM 0 HG1 THR A 75 -3.174 -0.226 5.696 1.00 11.03 H new ATOM 0 HG21 THR A 75 -4.109 -3.238 4.247 1.00 61.43 H new ATOM 0 HG22 THR A 75 -3.789 -4.275 5.658 1.00 61.43 H new ATOM 0 HG23 THR A 75 -5.218 -3.214 5.639 1.00 61.43 H new ATOM 641 N PHE A 76 -1.642 -3.903 7.794 1.00 63.41 N ATOM 642 CA PHE A 76 -1.091 -5.226 8.103 1.00 72.10 C ATOM 643 C PHE A 76 -0.925 -5.471 9.614 1.00 11.33 C ATOM 644 O PHE A 76 -1.121 -6.594 10.079 1.00 71.40 O ATOM 645 CB PHE A 76 0.242 -5.433 7.374 1.00 54.13 C ATOM 646 CG PHE A 76 0.092 -5.595 5.877 1.00 4.13 C ATOM 647 CD1 PHE A 76 -0.202 -4.507 5.068 1.00 22.11 C ATOM 648 CD2 PHE A 76 0.228 -6.844 5.284 1.00 45.10 C ATOM 649 CE1 PHE A 76 -0.352 -4.660 3.702 1.00 74.25 C ATOM 650 CE2 PHE A 76 0.075 -7.000 3.918 1.00 35.14 C ATOM 651 CZ PHE A 76 -0.215 -5.908 3.127 1.00 44.13 C ATOM 0 H PHE A 76 -0.962 -3.234 7.433 1.00 63.41 H new ATOM 0 HA PHE A 76 -1.815 -5.959 7.747 1.00 72.10 H new ATOM 0 HB2 PHE A 76 0.893 -4.583 7.576 1.00 54.13 H new ATOM 0 HB3 PHE A 76 0.736 -6.316 7.779 1.00 54.13 H new ATOM 0 HD1 PHE A 76 -0.315 -3.528 5.511 1.00 22.11 H new ATOM 0 HD2 PHE A 76 0.456 -7.704 5.897 1.00 45.10 H new ATOM 0 HE1 PHE A 76 -0.576 -3.803 3.084 1.00 74.25 H new ATOM 0 HE2 PHE A 76 0.183 -7.977 3.471 1.00 35.14 H new ATOM 0 HZ PHE A 76 -0.335 -6.029 2.060 1.00 44.13 H new ATOM 661 N ARG A 77 -0.584 -4.435 10.383 1.00 12.34 N ATOM 662 CA ARG A 77 -0.317 -4.606 11.824 1.00 22.24 C ATOM 663 C ARG A 77 -1.579 -5.010 12.612 1.00 24.31 C ATOM 664 O ARG A 77 -1.515 -5.848 13.512 1.00 31.53 O ATOM 665 CB ARG A 77 0.287 -3.325 12.429 1.00 41.32 C ATOM 666 CG ARG A 77 -0.701 -2.166 12.561 1.00 32.22 C ATOM 667 CD ARG A 77 -0.058 -0.920 13.167 1.00 63.41 C ATOM 668 NE ARG A 77 0.538 -1.183 14.476 1.00 74.41 N ATOM 669 CZ ARG A 77 -0.104 -1.114 15.612 1.00 4.42 C ATOM 670 NH1 ARG A 77 -1.368 -0.817 15.648 1.00 14.14 N ATOM 671 NH2 ARG A 77 0.523 -1.342 16.715 1.00 74.20 N ATOM 0 H ARG A 77 -0.485 -3.478 10.044 1.00 12.34 H new ATOM 0 HA ARG A 77 0.403 -5.419 11.910 1.00 22.24 H new ATOM 0 HB2 ARG A 77 0.690 -3.558 13.415 1.00 41.32 H new ATOM 0 HB3 ARG A 77 1.125 -3.004 11.810 1.00 41.32 H new ATOM 0 HG2 ARG A 77 -1.104 -1.922 11.578 1.00 32.22 H new ATOM 0 HG3 ARG A 77 -1.541 -2.477 13.182 1.00 32.22 H new ATOM 0 HD2 ARG A 77 0.709 -0.544 12.490 1.00 63.41 H new ATOM 0 HD3 ARG A 77 -0.810 -0.137 13.263 1.00 63.41 H new ATOM 0 HE ARG A 77 1.525 -1.438 14.504 1.00 74.41 H new ATOM 0 HH11 ARG A 77 -1.874 -0.634 14.781 1.00 14.14 H new ATOM 0 HH12 ARG A 77 -1.855 -0.767 16.543 1.00 14.14 H new ATOM 0 HH21 ARG A 77 1.516 -1.575 16.698 1.00 74.20 H new ATOM 0 HH22 ARG A 77 0.026 -1.289 17.604 1.00 74.20 H new ATOM 685 N GLU A 78 -2.730 -4.427 12.273 1.00 65.52 N ATOM 686 CA GLU A 78 -3.957 -4.663 13.050 1.00 21.24 C ATOM 687 C GLU A 78 -4.920 -5.654 12.371 1.00 4.34 C ATOM 688 O GLU A 78 -5.748 -6.273 13.042 1.00 54.14 O ATOM 689 CB GLU A 78 -4.662 -3.334 13.352 1.00 64.12 C ATOM 690 CG GLU A 78 -5.122 -2.563 12.121 1.00 53.15 C ATOM 691 CD GLU A 78 -5.573 -1.151 12.464 1.00 4.11 C ATOM 692 OE1 GLU A 78 -6.494 -1.002 13.296 1.00 13.44 O ATOM 693 OE2 GLU A 78 -5.005 -0.185 11.918 1.00 42.42 O ATOM 0 H GLU A 78 -2.843 -3.797 11.479 1.00 65.52 H new ATOM 0 HA GLU A 78 -3.652 -5.128 13.988 1.00 21.24 H new ATOM 0 HB2 GLU A 78 -5.528 -3.533 13.984 1.00 64.12 H new ATOM 0 HB3 GLU A 78 -3.986 -2.702 13.928 1.00 64.12 H new ATOM 0 HG2 GLU A 78 -4.308 -2.517 11.398 1.00 53.15 H new ATOM 0 HG3 GLU A 78 -5.942 -3.099 11.644 1.00 53.15 H new ATOM 700 N GLN A 79 -4.825 -5.807 11.050 1.00 14.11 N ATOM 701 CA GLN A 79 -5.641 -6.801 10.335 1.00 34.11 C ATOM 702 C GLN A 79 -4.958 -8.177 10.305 1.00 12.35 C ATOM 703 O GLN A 79 -5.469 -9.149 10.861 1.00 54.20 O ATOM 704 CB GLN A 79 -5.933 -6.334 8.900 1.00 44.30 C ATOM 705 CG GLN A 79 -6.836 -5.108 8.825 1.00 21.51 C ATOM 706 CD GLN A 79 -8.243 -5.385 9.326 1.00 62.23 C ATOM 707 OE1 GLN A 79 -8.743 -6.500 9.226 1.00 61.00 O ATOM 708 NE2 GLN A 79 -8.894 -4.376 9.870 1.00 51.21 N ATOM 0 H GLN A 79 -4.200 -5.264 10.455 1.00 14.11 H new ATOM 0 HA GLN A 79 -6.581 -6.898 10.878 1.00 34.11 H new ATOM 0 HB2 GLN A 79 -4.990 -6.110 8.401 1.00 44.30 H new ATOM 0 HB3 GLN A 79 -6.399 -7.151 8.349 1.00 44.30 H new ATOM 0 HG2 GLN A 79 -6.397 -4.302 9.413 1.00 21.51 H new ATOM 0 HG3 GLN A 79 -6.884 -4.760 7.793 1.00 21.51 H new ATOM 0 HE21 GLN A 79 -8.450 -3.460 9.938 1.00 51.21 H new ATOM 0 HE22 GLN A 79 -9.842 -4.511 10.222 1.00 51.21 H new ATOM 717 N PHE A 80 -3.796 -8.251 9.662 1.00 4.43 N ATOM 718 CA PHE A 80 -3.075 -9.523 9.510 1.00 3.01 C ATOM 719 C PHE A 80 -2.143 -9.802 10.699 1.00 14.30 C ATOM 720 O PHE A 80 -1.725 -10.940 10.918 1.00 61.02 O ATOM 721 CB PHE A 80 -2.271 -9.515 8.200 1.00 3.44 C ATOM 722 CG PHE A 80 -3.124 -9.278 6.976 1.00 41.23 C ATOM 723 CD1 PHE A 80 -3.914 -10.297 6.457 1.00 42.12 C ATOM 724 CD2 PHE A 80 -3.149 -8.037 6.353 1.00 54.42 C ATOM 725 CE1 PHE A 80 -4.704 -10.081 5.344 1.00 24.53 C ATOM 726 CE2 PHE A 80 -3.940 -7.818 5.241 1.00 71.54 C ATOM 727 CZ PHE A 80 -4.717 -8.841 4.736 1.00 34.12 C ATOM 0 H PHE A 80 -3.330 -7.450 9.237 1.00 4.43 H new ATOM 0 HA PHE A 80 -3.816 -10.322 9.481 1.00 3.01 H new ATOM 0 HB2 PHE A 80 -1.506 -8.741 8.256 1.00 3.44 H new ATOM 0 HB3 PHE A 80 -1.753 -10.468 8.094 1.00 3.44 H new ATOM 0 HD1 PHE A 80 -3.910 -11.268 6.929 1.00 42.12 H new ATOM 0 HD2 PHE A 80 -2.543 -7.233 6.742 1.00 54.42 H new ATOM 0 HE1 PHE A 80 -5.311 -10.882 4.949 1.00 24.53 H new ATOM 0 HE2 PHE A 80 -3.950 -6.847 4.768 1.00 71.54 H new ATOM 0 HZ PHE A 80 -5.335 -8.672 3.866 1.00 34.12 H new ATOM 737 N GLY A 81 -1.827 -8.760 11.466 1.00 33.41 N ATOM 738 CA GLY A 81 -0.920 -8.907 12.599 1.00 61.24 C ATOM 739 C GLY A 81 0.534 -9.074 12.168 1.00 64.31 C ATOM 740 O GLY A 81 1.248 -9.937 12.679 1.00 35.55 O ATOM 0 H GLY A 81 -2.182 -7.814 11.325 1.00 33.41 H new ATOM 0 HA2 GLY A 81 -1.006 -8.033 13.244 1.00 61.24 H new ATOM 0 HA3 GLY A 81 -1.221 -9.771 13.191 1.00 61.24 H new ATOM 744 N LEU A 82 0.969 -8.247 11.220 1.00 61.41 N ATOM 745 CA LEU A 82 2.332 -8.322 10.679 1.00 25.35 C ATOM 746 C LEU A 82 3.204 -7.166 11.200 1.00 61.42 C ATOM 747 O LEU A 82 2.765 -6.016 11.252 1.00 2.10 O ATOM 748 CB LEU A 82 2.284 -8.297 9.143 1.00 44.22 C ATOM 749 CG LEU A 82 3.632 -8.511 8.434 1.00 4.11 C ATOM 750 CD1 LEU A 82 4.201 -9.893 8.758 1.00 51.45 C ATOM 751 CD2 LEU A 82 3.481 -8.328 6.925 1.00 30.23 C ATOM 0 H LEU A 82 0.396 -7.512 10.806 1.00 61.41 H new ATOM 0 HA LEU A 82 2.781 -9.257 11.013 1.00 25.35 H new ATOM 0 HB2 LEU A 82 1.590 -9.067 8.806 1.00 44.22 H new ATOM 0 HB3 LEU A 82 1.875 -7.338 8.825 1.00 44.22 H new ATOM 0 HG LEU A 82 4.333 -7.761 8.800 1.00 4.11 H new ATOM 0 HD11 LEU A 82 5.155 -10.023 8.246 1.00 51.45 H new ATOM 0 HD12 LEU A 82 4.352 -9.981 9.834 1.00 51.45 H new ATOM 0 HD13 LEU A 82 3.503 -10.661 8.425 1.00 51.45 H new ATOM 0 HD21 LEU A 82 4.445 -8.483 6.441 1.00 30.23 H new ATOM 0 HD22 LEU A 82 2.762 -9.051 6.541 1.00 30.23 H new ATOM 0 HD23 LEU A 82 3.128 -7.318 6.714 1.00 30.23 H new ATOM 763 N GLU A 83 4.442 -7.479 11.577 1.00 74.32 N ATOM 764 CA GLU A 83 5.361 -6.484 12.144 1.00 63.03 C ATOM 765 C GLU A 83 5.971 -5.586 11.051 1.00 15.04 C ATOM 766 O GLU A 83 7.032 -5.894 10.498 1.00 34.30 O ATOM 767 CB GLU A 83 6.495 -7.169 12.936 1.00 71.12 C ATOM 768 CG GLU A 83 6.038 -8.273 13.894 1.00 50.01 C ATOM 769 CD GLU A 83 5.880 -9.627 13.212 1.00 20.11 C ATOM 770 OE1 GLU A 83 6.878 -10.372 13.121 1.00 31.23 O ATOM 771 OE2 GLU A 83 4.762 -9.950 12.761 1.00 10.01 O ATOM 0 H GLU A 83 4.837 -8.417 11.501 1.00 74.32 H new ATOM 0 HA GLU A 83 4.776 -5.860 12.819 1.00 63.03 H new ATOM 0 HB2 GLU A 83 7.207 -7.594 12.228 1.00 71.12 H new ATOM 0 HB3 GLU A 83 7.029 -6.410 13.508 1.00 71.12 H new ATOM 0 HG2 GLU A 83 6.760 -8.363 14.706 1.00 50.01 H new ATOM 0 HG3 GLU A 83 5.087 -7.986 14.343 1.00 50.01 H new ATOM 778 N LEU A 84 5.294 -4.485 10.730 1.00 14.21 N ATOM 779 CA LEU A 84 5.800 -3.529 9.735 1.00 42.34 C ATOM 780 C LEU A 84 6.388 -2.267 10.396 1.00 11.03 C ATOM 781 O LEU A 84 5.837 -1.749 11.372 1.00 24.23 O ATOM 782 CB LEU A 84 4.693 -3.132 8.744 1.00 20.32 C ATOM 783 CG LEU A 84 4.186 -4.261 7.828 1.00 34.54 C ATOM 784 CD1 LEU A 84 3.201 -3.712 6.801 1.00 62.13 C ATOM 785 CD2 LEU A 84 5.353 -4.969 7.133 1.00 62.01 C ATOM 0 H LEU A 84 4.396 -4.229 11.141 1.00 14.21 H new ATOM 0 HA LEU A 84 6.602 -4.030 9.193 1.00 42.34 H new ATOM 0 HB2 LEU A 84 3.848 -2.739 9.309 1.00 20.32 H new ATOM 0 HB3 LEU A 84 5.064 -2.320 8.119 1.00 20.32 H new ATOM 0 HG LEU A 84 3.668 -4.994 8.446 1.00 34.54 H new ATOM 0 HD11 LEU A 84 2.852 -4.523 6.162 1.00 62.13 H new ATOM 0 HD12 LEU A 84 2.351 -3.264 7.315 1.00 62.13 H new ATOM 0 HD13 LEU A 84 3.695 -2.956 6.191 1.00 62.13 H new ATOM 0 HD21 LEU A 84 4.968 -5.762 6.492 1.00 62.01 H new ATOM 0 HD22 LEU A 84 5.906 -4.250 6.528 1.00 62.01 H new ATOM 0 HD23 LEU A 84 6.016 -5.399 7.883 1.00 62.01 H new ATOM 797 N PRO A 85 7.539 -1.778 9.883 1.00 65.33 N ATOM 798 CA PRO A 85 8.184 -0.536 10.366 1.00 11.04 C ATOM 799 C PRO A 85 7.460 0.757 9.917 1.00 50.20 C ATOM 800 O PRO A 85 6.294 0.730 9.518 1.00 3.11 O ATOM 801 CB PRO A 85 9.583 -0.616 9.743 1.00 34.13 C ATOM 802 CG PRO A 85 9.384 -1.398 8.491 1.00 12.42 C ATOM 803 CD PRO A 85 8.326 -2.418 8.809 1.00 52.55 C ATOM 0 HA PRO A 85 8.174 -0.476 11.454 1.00 11.04 H new ATOM 0 HB2 PRO A 85 9.982 0.376 9.533 1.00 34.13 H new ATOM 0 HB3 PRO A 85 10.289 -1.109 10.412 1.00 34.13 H new ATOM 0 HG2 PRO A 85 9.070 -0.751 7.672 1.00 12.42 H new ATOM 0 HG3 PRO A 85 10.311 -1.880 8.179 1.00 12.42 H new ATOM 0 HD2 PRO A 85 7.709 -2.641 7.938 1.00 52.55 H new ATOM 0 HD3 PRO A 85 8.764 -3.360 9.139 1.00 52.55 H new ATOM 811 N ARG A 86 8.169 1.893 9.980 1.00 42.45 N ATOM 812 CA ARG A 86 7.559 3.217 9.746 1.00 13.15 C ATOM 813 C ARG A 86 7.841 3.814 8.349 1.00 62.33 C ATOM 814 O ARG A 86 7.010 4.552 7.819 1.00 71.43 O ATOM 815 CB ARG A 86 8.029 4.195 10.834 1.00 22.30 C ATOM 816 CG ARG A 86 7.315 4.016 12.171 1.00 2.50 C ATOM 817 CD ARG A 86 5.863 4.479 12.089 1.00 10.22 C ATOM 818 NE ARG A 86 5.114 4.210 13.316 1.00 12.02 N ATOM 819 CZ ARG A 86 4.249 5.036 13.848 1.00 3.32 C ATOM 820 NH1 ARG A 86 4.042 6.206 13.325 1.00 65.25 N ATOM 821 NH2 ARG A 86 3.600 4.692 14.911 1.00 22.14 N ATOM 0 H ARG A 86 9.166 1.925 10.191 1.00 42.45 H new ATOM 0 HA ARG A 86 6.480 3.066 9.791 1.00 13.15 H new ATOM 0 HB2 ARG A 86 9.101 4.068 10.985 1.00 22.30 H new ATOM 0 HB3 ARG A 86 7.875 5.216 10.484 1.00 22.30 H new ATOM 0 HG2 ARG A 86 7.349 2.967 12.466 1.00 2.50 H new ATOM 0 HG3 ARG A 86 7.837 4.582 12.943 1.00 2.50 H new ATOM 0 HD2 ARG A 86 5.838 5.549 11.880 1.00 10.22 H new ATOM 0 HD3 ARG A 86 5.374 3.980 11.253 1.00 10.22 H new ATOM 0 HE ARG A 86 5.276 3.321 13.788 1.00 12.02 H new ATOM 0 HH11 ARG A 86 4.556 6.490 12.491 1.00 65.25 H new ATOM 0 HH12 ARG A 86 3.365 6.841 13.748 1.00 65.25 H new ATOM 0 HH21 ARG A 86 3.762 3.778 15.334 1.00 22.14 H new ATOM 0 HH22 ARG A 86 2.926 5.334 15.327 1.00 22.14 H new ATOM 835 N SER A 87 9.002 3.529 7.760 1.00 44.21 N ATOM 836 CA SER A 87 9.380 4.150 6.471 1.00 31.45 C ATOM 837 C SER A 87 9.472 3.134 5.323 1.00 74.54 C ATOM 838 O SER A 87 9.836 1.976 5.523 1.00 35.12 O ATOM 839 CB SER A 87 10.712 4.896 6.610 1.00 41.22 C ATOM 840 OG SER A 87 10.594 5.989 7.510 1.00 63.44 O ATOM 0 H SER A 87 9.694 2.883 8.140 1.00 44.21 H new ATOM 0 HA SER A 87 8.585 4.852 6.218 1.00 31.45 H new ATOM 0 HB2 SER A 87 11.481 4.210 6.965 1.00 41.22 H new ATOM 0 HB3 SER A 87 11.033 5.258 5.633 1.00 41.22 H new ATOM 0 HG SER A 87 11.457 6.447 7.583 1.00 63.44 H new ATOM 846 N THR A 88 9.162 3.599 4.106 1.00 3.13 N ATOM 847 CA THR A 88 9.135 2.746 2.902 1.00 63.13 C ATOM 848 C THR A 88 10.453 1.992 2.688 1.00 12.00 C ATOM 849 O THR A 88 10.453 0.808 2.348 1.00 23.41 O ATOM 850 CB THR A 88 8.846 3.575 1.623 1.00 40.42 C ATOM 851 OG1 THR A 88 7.843 4.569 1.881 1.00 21.54 O ATOM 852 CG2 THR A 88 8.376 2.671 0.488 1.00 70.11 C ATOM 0 H THR A 88 8.923 4.574 3.924 1.00 3.13 H new ATOM 0 HA THR A 88 8.334 2.027 3.074 1.00 63.13 H new ATOM 0 HB THR A 88 9.774 4.066 1.329 1.00 40.42 H new ATOM 0 HG1 THR A 88 7.108 4.168 2.390 1.00 21.54 H new ATOM 0 HG21 THR A 88 8.179 3.273 -0.399 1.00 70.11 H new ATOM 0 HG22 THR A 88 9.150 1.937 0.264 1.00 70.11 H new ATOM 0 HG23 THR A 88 7.463 2.156 0.787 1.00 70.11 H new ATOM 860 N TYR A 89 11.572 2.686 2.885 1.00 73.43 N ATOM 861 CA TYR A 89 12.900 2.081 2.724 1.00 25.52 C ATOM 862 C TYR A 89 13.075 0.856 3.636 1.00 32.52 C ATOM 863 O TYR A 89 13.798 -0.080 3.298 1.00 23.12 O ATOM 864 CB TYR A 89 13.995 3.119 3.000 1.00 43.14 C ATOM 865 CG TYR A 89 14.094 4.192 1.927 1.00 52.24 C ATOM 866 CD1 TYR A 89 13.167 5.229 1.859 1.00 60.10 C ATOM 867 CD2 TYR A 89 15.111 4.161 0.975 1.00 42.51 C ATOM 868 CE1 TYR A 89 13.253 6.199 0.878 1.00 62.31 C ATOM 869 CE2 TYR A 89 15.200 5.129 -0.007 1.00 61.11 C ATOM 870 CZ TYR A 89 14.268 6.145 -0.051 1.00 61.41 C ATOM 871 OH TYR A 89 14.354 7.110 -1.030 1.00 44.53 O ATOM 0 H TYR A 89 11.589 3.669 3.157 1.00 73.43 H new ATOM 0 HA TYR A 89 12.990 1.740 1.693 1.00 25.52 H new ATOM 0 HB2 TYR A 89 13.801 3.594 3.962 1.00 43.14 H new ATOM 0 HB3 TYR A 89 14.955 2.610 3.084 1.00 43.14 H new ATOM 0 HD1 TYR A 89 12.368 5.276 2.584 1.00 60.10 H new ATOM 0 HD2 TYR A 89 15.842 3.367 1.005 1.00 42.51 H new ATOM 0 HE1 TYR A 89 12.526 6.997 0.840 1.00 62.31 H new ATOM 0 HE2 TYR A 89 15.995 5.090 -0.737 1.00 61.11 H new ATOM 0 HH TYR A 89 15.127 6.926 -1.603 1.00 44.53 H new ATOM 881 N GLU A 90 12.396 0.870 4.779 1.00 15.20 N ATOM 882 CA GLU A 90 12.392 -0.274 5.692 1.00 23.03 C ATOM 883 C GLU A 90 11.370 -1.329 5.226 1.00 21.22 C ATOM 884 O GLU A 90 11.651 -2.531 5.224 1.00 15.12 O ATOM 885 CB GLU A 90 12.042 0.186 7.116 1.00 12.14 C ATOM 886 CG GLU A 90 12.913 1.317 7.653 1.00 62.25 C ATOM 887 CD GLU A 90 12.433 1.828 9.007 1.00 13.10 C ATOM 888 OE1 GLU A 90 11.376 2.494 9.056 1.00 23.32 O ATOM 889 OE2 GLU A 90 13.101 1.565 10.030 1.00 2.52 O ATOM 0 H GLU A 90 11.839 1.663 5.098 1.00 15.20 H new ATOM 0 HA GLU A 90 13.387 -0.718 5.692 1.00 23.03 H new ATOM 0 HB2 GLU A 90 11.001 0.508 7.133 1.00 12.14 H new ATOM 0 HB3 GLU A 90 12.123 -0.668 7.789 1.00 12.14 H new ATOM 0 HG2 GLU A 90 13.942 0.968 7.743 1.00 62.25 H new ATOM 0 HG3 GLU A 90 12.917 2.140 6.938 1.00 62.25 H new ATOM 896 N GLN A 91 10.182 -0.856 4.830 1.00 33.55 N ATOM 897 CA GLN A 91 9.088 -1.724 4.362 1.00 45.31 C ATOM 898 C GLN A 91 9.534 -2.648 3.217 1.00 74.33 C ATOM 899 O GLN A 91 9.278 -3.853 3.242 1.00 12.31 O ATOM 900 CB GLN A 91 7.897 -0.865 3.892 1.00 55.31 C ATOM 901 CG GLN A 91 7.264 -0.008 4.989 1.00 51.32 C ATOM 902 CD GLN A 91 6.447 -0.815 5.984 1.00 43.41 C ATOM 903 OE1 GLN A 91 6.712 -1.986 6.225 1.00 61.41 O ATOM 904 NE2 GLN A 91 5.446 -0.193 6.574 1.00 53.13 N ATOM 0 H GLN A 91 9.950 0.137 4.824 1.00 33.55 H new ATOM 0 HA GLN A 91 8.789 -2.350 5.202 1.00 45.31 H new ATOM 0 HB2 GLN A 91 8.231 -0.212 3.086 1.00 55.31 H new ATOM 0 HB3 GLN A 91 7.133 -1.522 3.475 1.00 55.31 H new ATOM 0 HG2 GLN A 91 8.050 0.526 5.523 1.00 51.32 H new ATOM 0 HG3 GLN A 91 6.624 0.745 4.529 1.00 51.32 H new ATOM 0 HE21 GLN A 91 5.250 0.783 6.352 1.00 53.13 H new ATOM 0 HE22 GLN A 91 4.867 -0.688 7.253 1.00 53.13 H new ATOM 913 N GLN A 92 10.219 -2.080 2.225 1.00 21.33 N ATOM 914 CA GLN A 92 10.630 -2.833 1.034 1.00 30.05 C ATOM 915 C GLN A 92 11.578 -3.996 1.379 1.00 54.54 C ATOM 916 O GLN A 92 11.684 -4.962 0.629 1.00 24.35 O ATOM 917 CB GLN A 92 11.296 -1.899 0.012 1.00 63.52 C ATOM 918 CG GLN A 92 12.655 -1.360 0.447 1.00 12.31 C ATOM 919 CD GLN A 92 13.276 -0.419 -0.574 1.00 10.30 C ATOM 920 OE1 GLN A 92 13.034 -0.526 -1.772 1.00 3.41 O ATOM 921 NE2 GLN A 92 14.100 0.495 -0.110 1.00 34.41 N ATOM 0 H GLN A 92 10.503 -1.100 2.220 1.00 21.33 H new ATOM 0 HA GLN A 92 9.727 -3.262 0.599 1.00 30.05 H new ATOM 0 HB2 GLN A 92 11.415 -2.436 -0.929 1.00 63.52 H new ATOM 0 HB3 GLN A 92 10.630 -1.058 -0.182 1.00 63.52 H new ATOM 0 HG2 GLN A 92 12.545 -0.836 1.396 1.00 12.31 H new ATOM 0 HG3 GLN A 92 13.332 -2.196 0.621 1.00 12.31 H new ATOM 0 HE21 GLN A 92 14.280 0.558 0.892 1.00 34.41 H new ATOM 0 HE22 GLN A 92 14.559 1.141 -0.752 1.00 34.41 H new ATOM 930 N GLU A 93 12.269 -3.905 2.513 1.00 74.21 N ATOM 931 CA GLU A 93 13.216 -4.953 2.918 1.00 60.42 C ATOM 932 C GLU A 93 12.553 -6.013 3.811 1.00 41.25 C ATOM 933 O GLU A 93 13.209 -6.948 4.272 1.00 1.44 O ATOM 934 CB GLU A 93 14.425 -4.336 3.632 1.00 35.22 C ATOM 935 CG GLU A 93 15.176 -3.317 2.782 1.00 71.04 C ATOM 936 CD GLU A 93 16.538 -2.964 3.351 1.00 14.42 C ATOM 937 OE1 GLU A 93 16.601 -2.191 4.324 1.00 42.44 O ATOM 938 OE2 GLU A 93 17.559 -3.461 2.821 1.00 62.40 O ATOM 0 H GLU A 93 12.196 -3.125 3.166 1.00 74.21 H new ATOM 0 HA GLU A 93 13.554 -5.454 2.011 1.00 60.42 H new ATOM 0 HB2 GLU A 93 14.088 -3.854 4.550 1.00 35.22 H new ATOM 0 HB3 GLU A 93 15.111 -5.132 3.922 1.00 35.22 H new ATOM 0 HG2 GLU A 93 15.300 -3.713 1.774 1.00 71.04 H new ATOM 0 HG3 GLU A 93 14.577 -2.410 2.697 1.00 71.04 H new ATOM 945 N MET A 94 11.253 -5.870 4.051 1.00 1.15 N ATOM 946 CA MET A 94 10.499 -6.862 4.830 1.00 4.21 C ATOM 947 C MET A 94 10.005 -8.011 3.934 1.00 44.31 C ATOM 948 O MET A 94 9.601 -9.067 4.423 1.00 15.21 O ATOM 949 CB MET A 94 9.310 -6.200 5.538 1.00 20.34 C ATOM 950 CG MET A 94 9.711 -5.076 6.485 1.00 52.01 C ATOM 951 SD MET A 94 10.839 -5.623 7.786 1.00 60.13 S ATOM 952 CE MET A 94 9.815 -6.809 8.658 1.00 35.12 C ATOM 0 H MET A 94 10.696 -5.082 3.721 1.00 1.15 H new ATOM 0 HA MET A 94 11.171 -7.277 5.581 1.00 4.21 H new ATOM 0 HB2 MET A 94 8.626 -5.804 4.787 1.00 20.34 H new ATOM 0 HB3 MET A 94 8.764 -6.959 6.099 1.00 20.34 H new ATOM 0 HG2 MET A 94 10.183 -4.277 5.913 1.00 52.01 H new ATOM 0 HG3 MET A 94 8.815 -4.655 6.941 1.00 52.01 H new ATOM 0 HE1 MET A 94 10.202 -6.952 9.667 1.00 35.12 H new ATOM 0 HE2 MET A 94 8.792 -6.437 8.712 1.00 35.12 H new ATOM 0 HE3 MET A 94 9.827 -7.761 8.126 1.00 35.12 H new ATOM 962 N GLY A 95 10.049 -7.803 2.619 1.00 43.52 N ATOM 963 CA GLY A 95 9.596 -8.822 1.678 1.00 23.32 C ATOM 964 C GLY A 95 10.452 -8.897 0.415 1.00 52.12 C ATOM 965 O GLY A 95 11.051 -7.904 0.002 1.00 3.13 O ATOM 0 H GLY A 95 10.391 -6.945 2.185 1.00 43.52 H new ATOM 0 HA2 GLY A 95 9.604 -9.793 2.173 1.00 23.32 H new ATOM 0 HA3 GLY A 95 8.563 -8.615 1.398 1.00 23.32 H new ATOM 969 N LYS A 96 10.502 -10.077 -0.203 1.00 4.52 N ATOM 970 CA LYS A 96 11.290 -10.280 -1.426 1.00 72.34 C ATOM 971 C LYS A 96 10.520 -9.829 -2.674 1.00 42.42 C ATOM 972 O LYS A 96 9.290 -9.896 -2.718 1.00 41.23 O ATOM 973 CB LYS A 96 11.696 -11.753 -1.566 1.00 62.30 C ATOM 974 CG LYS A 96 12.609 -12.249 -0.448 1.00 40.44 C ATOM 975 CD LYS A 96 13.901 -11.438 -0.369 1.00 4.11 C ATOM 976 CE LYS A 96 14.829 -11.946 0.730 1.00 25.01 C ATOM 977 NZ LYS A 96 14.200 -11.881 2.077 1.00 62.33 N ATOM 0 H LYS A 96 10.008 -10.909 0.120 1.00 4.52 H new ATOM 0 HA LYS A 96 12.188 -9.667 -1.342 1.00 72.34 H new ATOM 0 HB2 LYS A 96 10.796 -12.368 -1.587 1.00 62.30 H new ATOM 0 HB3 LYS A 96 12.200 -11.892 -2.523 1.00 62.30 H new ATOM 0 HG2 LYS A 96 12.083 -12.188 0.505 1.00 40.44 H new ATOM 0 HG3 LYS A 96 12.849 -13.299 -0.613 1.00 40.44 H new ATOM 0 HD2 LYS A 96 14.417 -11.483 -1.328 1.00 4.11 H new ATOM 0 HD3 LYS A 96 13.661 -10.391 -0.185 1.00 4.11 H new ATOM 0 HE2 LYS A 96 15.114 -12.976 0.514 1.00 25.01 H new ATOM 0 HE3 LYS A 96 15.745 -11.355 0.731 1.00 25.01 H new ATOM 0 HZ1 LYS A 96 14.918 -12.073 2.805 1.00 62.33 H new ATOM 0 HZ2 LYS A 96 13.799 -10.933 2.228 1.00 62.33 H new ATOM 0 HZ3 LYS A 96 13.443 -12.591 2.141 1.00 62.33 H new ATOM 991 N SER A 97 11.254 -9.398 -3.694 1.00 32.31 N ATOM 992 CA SER A 97 10.647 -8.815 -4.902 1.00 60.05 C ATOM 993 C SER A 97 10.040 -9.871 -5.838 1.00 3.24 C ATOM 994 O SER A 97 10.398 -11.051 -5.788 1.00 62.23 O ATOM 995 CB SER A 97 11.685 -7.986 -5.672 1.00 15.03 C ATOM 996 OG SER A 97 12.776 -8.789 -6.103 1.00 72.34 O ATOM 0 H SER A 97 12.273 -9.438 -3.716 1.00 32.31 H new ATOM 0 HA SER A 97 9.832 -8.176 -4.561 1.00 60.05 H new ATOM 0 HB2 SER A 97 11.212 -7.519 -6.536 1.00 15.03 H new ATOM 0 HB3 SER A 97 12.053 -7.181 -5.037 1.00 15.03 H new ATOM 0 HG SER A 97 13.419 -8.233 -6.591 1.00 72.34 H new ATOM 1002 N VAL A 98 9.111 -9.426 -6.687 1.00 34.01 N ATOM 1003 CA VAL A 98 8.488 -10.278 -7.711 1.00 33.04 C ATOM 1004 C VAL A 98 8.175 -9.492 -8.993 1.00 14.33 C ATOM 1005 O VAL A 98 8.345 -8.272 -9.055 1.00 41.14 O ATOM 1006 CB VAL A 98 7.178 -10.940 -7.205 1.00 52.35 C ATOM 1007 CG1 VAL A 98 7.477 -12.192 -6.389 1.00 42.54 C ATOM 1008 CG2 VAL A 98 6.348 -9.948 -6.389 1.00 10.35 C ATOM 0 H VAL A 98 8.767 -8.466 -6.687 1.00 34.01 H new ATOM 0 HA VAL A 98 9.219 -11.056 -7.931 1.00 33.04 H new ATOM 0 HB VAL A 98 6.595 -11.237 -8.077 1.00 52.35 H new ATOM 0 HG11 VAL A 98 6.542 -12.635 -6.047 1.00 42.54 H new ATOM 0 HG12 VAL A 98 8.014 -12.910 -7.008 1.00 42.54 H new ATOM 0 HG13 VAL A 98 8.089 -11.927 -5.527 1.00 42.54 H new ATOM 0 HG21 VAL A 98 5.435 -10.434 -6.045 1.00 10.35 H new ATOM 0 HG22 VAL A 98 6.926 -9.611 -5.529 1.00 10.35 H new ATOM 0 HG23 VAL A 98 6.090 -9.091 -7.011 1.00 10.35 H new ATOM 1018 N SER A 99 7.722 -10.212 -10.018 1.00 24.33 N ATOM 1019 CA SER A 99 7.346 -9.606 -11.306 1.00 54.21 C ATOM 1020 C SER A 99 5.831 -9.689 -11.546 1.00 75.11 C ATOM 1021 O SER A 99 5.093 -10.244 -10.732 1.00 54.22 O ATOM 1022 CB SER A 99 8.084 -10.311 -12.450 1.00 21.52 C ATOM 1023 OG SER A 99 7.771 -9.730 -13.707 1.00 21.24 O ATOM 0 H SER A 99 7.604 -11.225 -9.986 1.00 24.33 H new ATOM 0 HA SER A 99 7.630 -8.554 -11.275 1.00 54.21 H new ATOM 0 HB2 SER A 99 9.159 -10.255 -12.280 1.00 21.52 H new ATOM 0 HB3 SER A 99 7.817 -11.368 -12.460 1.00 21.52 H new ATOM 0 HG SER A 99 8.258 -10.200 -14.415 1.00 21.24 H new ATOM 1029 N ARG A 100 5.379 -9.160 -12.688 1.00 4.42 N ATOM 1030 CA ARG A 100 3.948 -9.152 -13.052 1.00 20.11 C ATOM 1031 C ARG A 100 3.299 -10.546 -12.908 1.00 2.32 C ATOM 1032 O ARG A 100 2.118 -10.665 -12.576 1.00 11.14 O ATOM 1033 CB ARG A 100 3.775 -8.667 -14.500 1.00 1.32 C ATOM 1034 CG ARG A 100 4.220 -7.227 -14.750 1.00 51.32 C ATOM 1035 CD ARG A 100 3.322 -6.213 -14.046 1.00 72.30 C ATOM 1036 NE ARG A 100 3.537 -4.855 -14.548 1.00 22.11 N ATOM 1037 CZ ARG A 100 2.750 -3.843 -14.301 1.00 61.23 C ATOM 1038 NH1 ARG A 100 1.739 -3.972 -13.504 1.00 4.43 N ATOM 1039 NH2 ARG A 100 2.984 -2.699 -14.853 1.00 45.51 N ATOM 0 H ARG A 100 5.985 -8.727 -13.385 1.00 4.42 H new ATOM 0 HA ARG A 100 3.448 -8.473 -12.361 1.00 20.11 H new ATOM 0 HB2 ARG A 100 4.339 -9.327 -15.159 1.00 1.32 H new ATOM 0 HB3 ARG A 100 2.725 -8.761 -14.777 1.00 1.32 H new ATOM 0 HG2 ARG A 100 5.246 -7.101 -14.405 1.00 51.32 H new ATOM 0 HG3 ARG A 100 4.217 -7.029 -15.822 1.00 51.32 H new ATOM 0 HD2 ARG A 100 2.278 -6.492 -14.188 1.00 72.30 H new ATOM 0 HD3 ARG A 100 3.516 -6.239 -12.974 1.00 72.30 H new ATOM 0 HE ARG A 100 4.358 -4.688 -15.130 1.00 22.11 H new ATOM 0 HH11 ARG A 100 1.550 -4.871 -13.061 1.00 4.43 H new ATOM 0 HH12 ARG A 100 1.131 -3.174 -13.318 1.00 4.43 H new ATOM 0 HH21 ARG A 100 3.781 -2.589 -15.479 1.00 45.51 H new ATOM 0 HH22 ARG A 100 2.371 -1.906 -14.663 1.00 45.51 H new ATOM 1053 N SER A 101 4.084 -11.587 -13.164 1.00 70.31 N ATOM 1054 CA SER A 101 3.599 -12.978 -13.132 1.00 73.32 C ATOM 1055 C SER A 101 3.442 -13.516 -11.702 1.00 54.54 C ATOM 1056 O SER A 101 2.587 -14.361 -11.437 1.00 73.53 O ATOM 1057 CB SER A 101 4.577 -13.876 -13.900 1.00 63.00 C ATOM 1058 OG SER A 101 5.891 -13.749 -13.376 1.00 24.03 O ATOM 0 H SER A 101 5.073 -11.500 -13.400 1.00 70.31 H new ATOM 0 HA SER A 101 2.614 -12.987 -13.598 1.00 73.32 H new ATOM 0 HB2 SER A 101 4.253 -14.915 -13.835 1.00 63.00 H new ATOM 0 HB3 SER A 101 4.573 -13.607 -14.956 1.00 63.00 H new ATOM 0 HG SER A 101 5.953 -14.236 -12.528 1.00 24.03 H new ATOM 1064 N ASN A 102 4.264 -13.018 -10.782 1.00 45.51 N ATOM 1065 CA ASN A 102 4.307 -13.544 -9.410 1.00 43.32 C ATOM 1066 C ASN A 102 3.719 -12.560 -8.384 1.00 63.32 C ATOM 1067 O ASN A 102 3.981 -12.677 -7.186 1.00 24.34 O ATOM 1068 CB ASN A 102 5.754 -13.900 -9.044 1.00 43.43 C ATOM 1069 CG ASN A 102 6.267 -15.105 -9.812 1.00 35.14 C ATOM 1070 OD1 ASN A 102 6.842 -14.873 -10.973 1.00 14.23 O flip ATOM 1071 ND2 ASN A 102 6.140 -16.242 -9.365 1.00 74.14 N flip ATOM 0 H ASN A 102 4.912 -12.250 -10.957 1.00 45.51 H new ATOM 0 HA ASN A 102 3.686 -14.439 -9.377 1.00 43.32 H new ATOM 0 HB2 ASN A 102 6.398 -13.044 -9.245 1.00 43.43 H new ATOM 0 HB3 ASN A 102 5.816 -14.101 -7.975 1.00 43.43 H new ATOM 0 HD21 ASN A 102 5.689 -16.387 -8.462 1.00 74.14 H new ATOM 0 HD22 ASN A 102 6.485 -17.041 -9.897 1.00 74.14 H new ATOM 1078 N LEU A 103 2.901 -11.615 -8.850 1.00 21.30 N ATOM 1079 CA LEU A 103 2.240 -10.654 -7.958 1.00 14.13 C ATOM 1080 C LEU A 103 1.297 -11.368 -6.977 1.00 33.21 C ATOM 1081 O LEU A 103 0.545 -12.268 -7.358 1.00 51.54 O ATOM 1082 CB LEU A 103 1.453 -9.618 -8.778 1.00 21.43 C ATOM 1083 CG LEU A 103 2.303 -8.719 -9.689 1.00 60.22 C ATOM 1084 CD1 LEU A 103 1.418 -7.757 -10.481 1.00 44.03 C ATOM 1085 CD2 LEU A 103 3.340 -7.955 -8.871 1.00 43.10 C ATOM 0 H LEU A 103 2.679 -11.492 -9.838 1.00 21.30 H new ATOM 0 HA LEU A 103 3.013 -10.144 -7.383 1.00 14.13 H new ATOM 0 HB2 LEU A 103 0.723 -10.144 -9.393 1.00 21.43 H new ATOM 0 HB3 LEU A 103 0.893 -8.984 -8.090 1.00 21.43 H new ATOM 0 HG LEU A 103 2.830 -9.354 -10.401 1.00 60.22 H new ATOM 0 HD11 LEU A 103 2.041 -7.131 -11.119 1.00 44.03 H new ATOM 0 HD12 LEU A 103 0.724 -8.326 -11.099 1.00 44.03 H new ATOM 0 HD13 LEU A 103 0.857 -7.127 -9.791 1.00 44.03 H new ATOM 0 HD21 LEU A 103 3.933 -7.324 -9.533 1.00 43.10 H new ATOM 0 HD22 LEU A 103 2.834 -7.333 -8.133 1.00 43.10 H new ATOM 0 HD23 LEU A 103 3.995 -8.662 -8.362 1.00 43.10 H new ATOM 1097 N ARG A 104 1.351 -10.981 -5.707 1.00 61.45 N ATOM 1098 CA ARG A 104 0.521 -11.607 -4.668 1.00 13.20 C ATOM 1099 C ARG A 104 -0.593 -10.656 -4.188 1.00 51.20 C ATOM 1100 O ARG A 104 -0.418 -9.440 -4.179 1.00 75.51 O ATOM 1101 CB ARG A 104 1.400 -12.005 -3.472 1.00 42.23 C ATOM 1102 CG ARG A 104 2.622 -12.865 -3.821 1.00 42.12 C ATOM 1103 CD ARG A 104 2.250 -14.270 -4.300 1.00 32.15 C ATOM 1104 NE ARG A 104 1.848 -14.306 -5.707 1.00 3.33 N ATOM 1105 CZ ARG A 104 1.932 -15.369 -6.465 1.00 3.41 C ATOM 1106 NH1 ARG A 104 2.387 -16.483 -5.986 1.00 0.42 N ATOM 1107 NH2 ARG A 104 1.564 -15.317 -7.705 1.00 12.40 N ATOM 0 H ARG A 104 1.959 -10.237 -5.366 1.00 61.45 H new ATOM 0 HA ARG A 104 0.054 -12.492 -5.100 1.00 13.20 H new ATOM 0 HB2 ARG A 104 1.743 -11.098 -2.975 1.00 42.23 H new ATOM 0 HB3 ARG A 104 0.786 -12.548 -2.754 1.00 42.23 H new ATOM 0 HG2 ARG A 104 3.201 -12.365 -4.597 1.00 42.12 H new ATOM 0 HG3 ARG A 104 3.265 -12.945 -2.944 1.00 42.12 H new ATOM 0 HD2 ARG A 104 3.101 -14.935 -4.154 1.00 32.15 H new ATOM 0 HD3 ARG A 104 1.436 -14.654 -3.685 1.00 32.15 H new ATOM 0 HE ARG A 104 1.480 -13.450 -6.122 1.00 3.33 H new ATOM 0 HH11 ARG A 104 2.683 -16.536 -5.011 1.00 0.42 H new ATOM 0 HH12 ARG A 104 2.449 -17.307 -6.583 1.00 0.42 H new ATOM 0 HH21 ARG A 104 1.207 -14.445 -8.095 1.00 12.40 H new ATOM 0 HH22 ARG A 104 1.631 -16.148 -8.292 1.00 12.40 H new ATOM 1121 N THR A 105 -1.739 -11.204 -3.788 1.00 35.25 N ATOM 1122 CA THR A 105 -2.800 -10.382 -3.187 1.00 15.51 C ATOM 1123 C THR A 105 -2.358 -9.878 -1.808 1.00 41.14 C ATOM 1124 O THR A 105 -2.232 -10.658 -0.865 1.00 14.20 O ATOM 1125 CB THR A 105 -4.133 -11.157 -3.039 1.00 41.23 C ATOM 1126 OG1 THR A 105 -4.558 -11.666 -4.313 1.00 33.10 O ATOM 1127 CG2 THR A 105 -5.228 -10.261 -2.460 1.00 72.11 C ATOM 0 H THR A 105 -1.960 -12.197 -3.865 1.00 35.25 H new ATOM 0 HA THR A 105 -2.971 -9.542 -3.861 1.00 15.51 H new ATOM 0 HB THR A 105 -3.961 -11.987 -2.354 1.00 41.23 H new ATOM 0 HG1 THR A 105 -5.400 -12.155 -4.205 1.00 33.10 H new ATOM 0 HG21 THR A 105 -6.153 -10.830 -2.367 1.00 72.11 H new ATOM 0 HG22 THR A 105 -4.922 -9.902 -1.477 1.00 72.11 H new ATOM 0 HG23 THR A 105 -5.391 -9.411 -3.123 1.00 72.11 H new ATOM 1135 N GLY A 106 -2.119 -8.575 -1.701 1.00 31.43 N ATOM 1136 CA GLY A 106 -1.542 -8.004 -0.487 1.00 33.40 C ATOM 1137 C GLY A 106 -0.045 -7.745 -0.625 1.00 72.50 C ATOM 1138 O GLY A 106 0.658 -7.545 0.368 1.00 33.42 O ATOM 0 H GLY A 106 -2.315 -7.896 -2.437 1.00 31.43 H new ATOM 0 HA2 GLY A 106 -2.050 -7.069 -0.251 1.00 33.40 H new ATOM 0 HA3 GLY A 106 -1.716 -8.682 0.349 1.00 33.40 H new ATOM 1142 N ASP A 107 0.435 -7.760 -1.867 1.00 43.52 N ATOM 1143 CA ASP A 107 1.843 -7.492 -2.176 1.00 41.42 C ATOM 1144 C ASP A 107 2.143 -5.982 -2.087 1.00 71.40 C ATOM 1145 O ASP A 107 1.255 -5.150 -2.299 1.00 22.22 O ATOM 1146 CB ASP A 107 2.157 -8.018 -3.585 1.00 4.01 C ATOM 1147 CG ASP A 107 3.642 -8.163 -3.844 1.00 20.12 C ATOM 1148 OD1 ASP A 107 4.323 -7.132 -3.990 1.00 44.30 O ATOM 1149 OD2 ASP A 107 4.126 -9.315 -3.894 1.00 3.11 O ATOM 0 H ASP A 107 -0.138 -7.958 -2.688 1.00 43.52 H new ATOM 0 HA ASP A 107 2.473 -8.002 -1.448 1.00 41.42 H new ATOM 0 HB2 ASP A 107 1.674 -8.985 -3.722 1.00 4.01 H new ATOM 0 HB3 ASP A 107 1.729 -7.340 -4.324 1.00 4.01 H new ATOM 1154 N LEU A 108 3.390 -5.627 -1.781 1.00 71.33 N ATOM 1155 CA LEU A 108 3.778 -4.217 -1.663 1.00 65.50 C ATOM 1156 C LEU A 108 4.482 -3.725 -2.930 1.00 4.22 C ATOM 1157 O LEU A 108 5.630 -4.081 -3.204 1.00 62.11 O ATOM 1158 CB LEU A 108 4.681 -3.995 -0.440 1.00 43.52 C ATOM 1159 CG LEU A 108 4.073 -4.396 0.915 1.00 21.41 C ATOM 1160 CD1 LEU A 108 4.905 -3.834 2.065 1.00 32.02 C ATOM 1161 CD2 LEU A 108 2.619 -3.937 1.022 1.00 3.11 C ATOM 0 H LEU A 108 4.147 -6.289 -1.611 1.00 71.33 H new ATOM 0 HA LEU A 108 2.863 -3.639 -1.532 1.00 65.50 H new ATOM 0 HB2 LEU A 108 5.604 -4.557 -0.585 1.00 43.52 H new ATOM 0 HB3 LEU A 108 4.953 -2.940 -0.398 1.00 43.52 H new ATOM 0 HG LEU A 108 4.086 -5.484 0.982 1.00 21.41 H new ATOM 0 HD11 LEU A 108 4.459 -4.129 3.015 1.00 32.02 H new ATOM 0 HD12 LEU A 108 5.921 -4.225 2.004 1.00 32.02 H new ATOM 0 HD13 LEU A 108 4.931 -2.746 1.998 1.00 32.02 H new ATOM 0 HD21 LEU A 108 2.214 -4.234 1.990 1.00 3.11 H new ATOM 0 HD22 LEU A 108 2.572 -2.852 0.926 1.00 3.11 H new ATOM 0 HD23 LEU A 108 2.033 -4.397 0.227 1.00 3.11 H new ATOM 1173 N VAL A 109 3.792 -2.886 -3.694 1.00 23.32 N ATOM 1174 CA VAL A 109 4.323 -2.381 -4.960 1.00 3.43 C ATOM 1175 C VAL A 109 4.984 -1.000 -4.788 1.00 21.43 C ATOM 1176 O VAL A 109 4.367 -0.050 -4.300 1.00 63.35 O ATOM 1177 CB VAL A 109 3.221 -2.321 -6.050 1.00 10.14 C ATOM 1178 CG1 VAL A 109 2.785 -3.732 -6.449 1.00 13.31 C ATOM 1179 CG2 VAL A 109 2.017 -1.512 -5.574 1.00 2.54 C ATOM 0 H VAL A 109 2.862 -2.539 -3.460 1.00 23.32 H new ATOM 0 HA VAL A 109 5.090 -3.083 -5.287 1.00 3.43 H new ATOM 0 HB VAL A 109 3.642 -1.822 -6.923 1.00 10.14 H new ATOM 0 HG11 VAL A 109 2.011 -3.671 -7.215 1.00 13.31 H new ATOM 0 HG12 VAL A 109 3.642 -4.280 -6.841 1.00 13.31 H new ATOM 0 HG13 VAL A 109 2.391 -4.252 -5.576 1.00 13.31 H new ATOM 0 HG21 VAL A 109 1.261 -1.488 -6.359 1.00 2.54 H new ATOM 0 HG22 VAL A 109 1.597 -1.975 -4.681 1.00 2.54 H new ATOM 0 HG23 VAL A 109 2.331 -0.495 -5.341 1.00 2.54 H new ATOM 1189 N LEU A 110 6.253 -0.914 -5.189 1.00 55.55 N ATOM 1190 CA LEU A 110 7.058 0.304 -5.026 1.00 4.43 C ATOM 1191 C LEU A 110 6.956 1.228 -6.250 1.00 60.33 C ATOM 1192 O LEU A 110 7.049 0.780 -7.396 1.00 13.50 O ATOM 1193 CB LEU A 110 8.527 -0.076 -4.786 1.00 14.13 C ATOM 1194 CG LEU A 110 8.782 -0.963 -3.558 1.00 15.45 C ATOM 1195 CD1 LEU A 110 10.229 -1.448 -3.537 1.00 3.20 C ATOM 1196 CD2 LEU A 110 8.436 -0.214 -2.269 1.00 61.14 C ATOM 0 H LEU A 110 6.753 -1.683 -5.635 1.00 55.55 H new ATOM 0 HA LEU A 110 6.667 0.848 -4.166 1.00 4.43 H new ATOM 0 HB2 LEU A 110 8.901 -0.592 -5.670 1.00 14.13 H new ATOM 0 HB3 LEU A 110 9.110 0.839 -4.680 1.00 14.13 H new ATOM 0 HG LEU A 110 8.134 -1.837 -3.624 1.00 15.45 H new ATOM 0 HD11 LEU A 110 10.390 -2.075 -2.660 1.00 3.20 H new ATOM 0 HD12 LEU A 110 10.432 -2.026 -4.438 1.00 3.20 H new ATOM 0 HD13 LEU A 110 10.900 -0.590 -3.498 1.00 3.20 H new ATOM 0 HD21 LEU A 110 8.624 -0.860 -1.411 1.00 61.14 H new ATOM 0 HD22 LEU A 110 9.053 0.681 -2.191 1.00 61.14 H new ATOM 0 HD23 LEU A 110 7.384 0.071 -2.285 1.00 61.14 H new ATOM 1208 N PHE A 111 6.784 2.526 -5.998 1.00 73.12 N ATOM 1209 CA PHE A 111 6.649 3.517 -7.069 1.00 52.02 C ATOM 1210 C PHE A 111 7.749 4.588 -7.003 1.00 20.45 C ATOM 1211 O PHE A 111 8.149 5.027 -5.921 1.00 53.13 O ATOM 1212 CB PHE A 111 5.273 4.189 -6.996 1.00 21.15 C ATOM 1213 CG PHE A 111 4.128 3.223 -7.139 1.00 24.44 C ATOM 1214 CD1 PHE A 111 3.773 2.733 -8.387 1.00 72.42 C ATOM 1215 CD2 PHE A 111 3.412 2.801 -6.028 1.00 42.34 C ATOM 1216 CE1 PHE A 111 2.729 1.841 -8.524 1.00 21.54 C ATOM 1217 CE2 PHE A 111 2.368 1.909 -6.162 1.00 53.21 C ATOM 1218 CZ PHE A 111 2.026 1.429 -7.412 1.00 4.53 C ATOM 0 H PHE A 111 6.735 2.918 -5.058 1.00 73.12 H new ATOM 0 HA PHE A 111 6.752 2.988 -8.016 1.00 52.02 H new ATOM 0 HB2 PHE A 111 5.182 4.711 -6.043 1.00 21.15 H new ATOM 0 HB3 PHE A 111 5.203 4.943 -7.780 1.00 21.15 H new ATOM 0 HD1 PHE A 111 4.320 3.053 -9.262 1.00 72.42 H new ATOM 0 HD2 PHE A 111 3.674 3.174 -5.049 1.00 42.34 H new ATOM 0 HE1 PHE A 111 2.463 1.466 -9.501 1.00 21.54 H new ATOM 0 HE2 PHE A 111 1.818 1.586 -5.290 1.00 53.21 H new ATOM 0 HZ PHE A 111 1.208 0.731 -7.518 1.00 4.53 H new ATOM 1228 N ARG A 112 8.226 4.999 -8.176 1.00 23.33 N ATOM 1229 CA ARG A 112 9.220 6.070 -8.294 1.00 64.33 C ATOM 1230 C ARG A 112 8.588 7.439 -7.993 1.00 72.40 C ATOM 1231 O ARG A 112 7.962 8.042 -8.860 1.00 70.22 O ATOM 1232 CB ARG A 112 9.808 6.072 -9.715 1.00 12.42 C ATOM 1233 CG ARG A 112 10.435 4.744 -10.127 1.00 4.35 C ATOM 1234 CD ARG A 112 10.768 4.708 -11.615 1.00 4.04 C ATOM 1235 NE ARG A 112 11.414 3.453 -11.998 1.00 75.41 N ATOM 1236 CZ ARG A 112 10.944 2.614 -12.884 1.00 33.23 C ATOM 1237 NH1 ARG A 112 9.813 2.833 -13.480 1.00 65.10 N ATOM 1238 NH2 ARG A 112 11.608 1.543 -13.172 1.00 72.13 N ATOM 0 H ARG A 112 7.937 4.602 -9.070 1.00 23.33 H new ATOM 0 HA ARG A 112 10.012 5.889 -7.568 1.00 64.33 H new ATOM 0 HB2 ARG A 112 9.019 6.325 -10.423 1.00 12.42 H new ATOM 0 HB3 ARG A 112 10.562 6.856 -9.784 1.00 12.42 H new ATOM 0 HG2 ARG A 112 11.343 4.576 -9.548 1.00 4.35 H new ATOM 0 HG3 ARG A 112 9.750 3.930 -9.889 1.00 4.35 H new ATOM 0 HD2 ARG A 112 9.854 4.838 -12.195 1.00 4.04 H new ATOM 0 HD3 ARG A 112 11.423 5.544 -11.861 1.00 4.04 H new ATOM 0 HE ARG A 112 12.294 3.215 -11.541 1.00 75.41 H new ATOM 0 HH11 ARG A 112 9.275 3.671 -13.260 1.00 65.10 H new ATOM 0 HH12 ARG A 112 9.462 2.167 -14.169 1.00 65.10 H new ATOM 0 HH21 ARG A 112 12.497 1.354 -12.708 1.00 72.13 H new ATOM 0 HH22 ARG A 112 11.243 0.887 -13.863 1.00 72.13 H new ATOM 1252 N ALA A 113 8.729 7.913 -6.758 1.00 30.54 N ATOM 1253 CA ALA A 113 8.159 9.204 -6.353 1.00 54.21 C ATOM 1254 C ALA A 113 9.220 10.111 -5.720 1.00 13.41 C ATOM 1255 O ALA A 113 9.639 9.891 -4.585 1.00 35.30 O ATOM 1256 CB ALA A 113 7.001 8.983 -5.385 1.00 62.21 C ATOM 0 H ALA A 113 9.232 7.426 -6.017 1.00 30.54 H new ATOM 0 HA ALA A 113 7.787 9.705 -7.247 1.00 54.21 H new ATOM 0 HB1 ALA A 113 6.584 9.946 -5.090 1.00 62.21 H new ATOM 0 HB2 ALA A 113 6.229 8.387 -5.872 1.00 62.21 H new ATOM 0 HB3 ALA A 113 7.361 8.457 -4.501 1.00 62.21 H new ATOM 1301 N ARG A 118 10.775 6.615 -2.352 1.00 1.22 N ATOM 1302 CA ARG A 118 10.043 5.356 -2.508 1.00 15.42 C ATOM 1303 C ARG A 118 8.598 5.476 -1.996 1.00 4.34 C ATOM 1304 O ARG A 118 8.365 5.733 -0.814 1.00 4.03 O ATOM 1305 CB ARG A 118 10.757 4.225 -1.753 1.00 50.23 C ATOM 1306 CG ARG A 118 12.083 3.795 -2.366 1.00 13.42 C ATOM 1307 CD ARG A 118 11.907 3.290 -3.794 1.00 13.42 C ATOM 1308 NE ARG A 118 13.115 2.648 -4.304 1.00 73.42 N ATOM 1309 CZ ARG A 118 13.803 3.074 -5.326 1.00 41.42 C ATOM 1310 NH1 ARG A 118 13.512 4.197 -5.901 1.00 44.21 N ATOM 1311 NH2 ARG A 118 14.810 2.386 -5.750 1.00 25.02 N ATOM 0 HA ARG A 118 10.014 5.126 -3.573 1.00 15.42 H new ATOM 0 HB2 ARG A 118 10.933 4.545 -0.726 1.00 50.23 H new ATOM 0 HB3 ARG A 118 10.095 3.361 -1.708 1.00 50.23 H new ATOM 0 HG2 ARG A 118 12.776 4.636 -2.360 1.00 13.42 H new ATOM 0 HG3 ARG A 118 12.529 3.010 -1.755 1.00 13.42 H new ATOM 0 HD2 ARG A 118 11.079 2.582 -3.828 1.00 13.42 H new ATOM 0 HD3 ARG A 118 11.639 4.124 -4.442 1.00 13.42 H new ATOM 0 HE ARG A 118 13.443 1.808 -3.828 1.00 73.42 H new ATOM 0 HH11 ARG A 118 12.736 4.761 -5.555 1.00 44.21 H new ATOM 0 HH12 ARG A 118 14.059 4.518 -6.700 1.00 44.21 H new ATOM 0 HH21 ARG A 118 15.064 1.514 -5.286 1.00 25.02 H new ATOM 0 HH22 ARG A 118 15.352 2.715 -6.549 1.00 25.02 H new ATOM 1325 N HIS A 119 7.636 5.297 -2.895 1.00 24.22 N ATOM 1326 CA HIS A 119 6.222 5.210 -2.515 1.00 10.35 C ATOM 1327 C HIS A 119 5.778 3.737 -2.532 1.00 30.34 C ATOM 1328 O HIS A 119 6.330 2.934 -3.282 1.00 32.43 O ATOM 1329 CB HIS A 119 5.363 6.043 -3.479 1.00 3.04 C ATOM 1330 CG HIS A 119 3.921 6.157 -3.076 1.00 15.02 C ATOM 1331 ND1 HIS A 119 3.477 7.182 -2.272 1.00 51.41 N ATOM 1332 CD2 HIS A 119 2.867 5.367 -3.397 1.00 12.43 C ATOM 1333 CE1 HIS A 119 2.179 6.992 -2.125 1.00 0.41 C ATOM 1334 NE2 HIS A 119 1.768 5.907 -2.785 1.00 22.32 N ATOM 0 H HIS A 119 7.806 5.209 -3.897 1.00 24.22 H new ATOM 0 HA HIS A 119 6.092 5.609 -1.509 1.00 10.35 H new ATOM 0 HB2 HIS A 119 5.788 7.044 -3.554 1.00 3.04 H new ATOM 0 HB3 HIS A 119 5.417 5.598 -4.473 1.00 3.04 H new ATOM 0 HD2 HIS A 119 2.890 4.482 -4.016 1.00 12.43 H new ATOM 0 HE1 HIS A 119 1.532 7.633 -1.545 1.00 0.41 H new ATOM 0 HE2 HIS A 119 0.814 5.548 -2.826 1.00 22.32 H new ATOM 1342 N VAL A 120 4.794 3.377 -1.710 1.00 42.35 N ATOM 1343 CA VAL A 120 4.342 1.980 -1.628 1.00 75.55 C ATOM 1344 C VAL A 120 2.808 1.866 -1.569 1.00 52.41 C ATOM 1345 O VAL A 120 2.139 2.634 -0.873 1.00 25.40 O ATOM 1346 CB VAL A 120 4.964 1.261 -0.400 1.00 12.52 C ATOM 1347 CG1 VAL A 120 4.559 1.945 0.905 1.00 52.24 C ATOM 1348 CG2 VAL A 120 4.586 -0.222 -0.380 1.00 43.20 C ATOM 0 H VAL A 120 4.296 4.021 -1.096 1.00 42.35 H new ATOM 0 HA VAL A 120 4.683 1.492 -2.541 1.00 75.55 H new ATOM 0 HB VAL A 120 6.048 1.330 -0.491 1.00 12.52 H new ATOM 0 HG11 VAL A 120 5.010 1.419 1.747 1.00 52.24 H new ATOM 0 HG12 VAL A 120 4.904 2.979 0.896 1.00 52.24 H new ATOM 0 HG13 VAL A 120 3.474 1.926 1.004 1.00 52.24 H new ATOM 0 HG21 VAL A 120 5.035 -0.700 0.490 1.00 43.20 H new ATOM 0 HG22 VAL A 120 3.502 -0.320 -0.329 1.00 43.20 H new ATOM 0 HG23 VAL A 120 4.952 -0.703 -1.287 1.00 43.20 H new ATOM 1358 N GLY A 121 2.264 0.904 -2.311 1.00 60.51 N ATOM 1359 CA GLY A 121 0.825 0.659 -2.307 1.00 12.12 C ATOM 1360 C GLY A 121 0.484 -0.814 -2.114 1.00 64.11 C ATOM 1361 O GLY A 121 1.273 -1.695 -2.465 1.00 12.13 O ATOM 0 H GLY A 121 2.797 0.283 -2.921 1.00 60.51 H new ATOM 0 HA2 GLY A 121 0.363 1.243 -1.511 1.00 12.12 H new ATOM 0 HA3 GLY A 121 0.398 1.007 -3.247 1.00 12.12 H new ATOM 1365 N ILE A 122 -0.695 -1.085 -1.563 1.00 32.21 N ATOM 1366 CA ILE A 122 -1.128 -2.460 -1.297 1.00 24.43 C ATOM 1367 C ILE A 122 -1.846 -3.061 -2.517 1.00 42.11 C ATOM 1368 O ILE A 122 -3.006 -2.737 -2.796 1.00 0.05 O ATOM 1369 CB ILE A 122 -2.064 -2.524 -0.064 1.00 55.45 C ATOM 1370 CG1 ILE A 122 -1.417 -1.814 1.137 1.00 10.05 C ATOM 1371 CG2 ILE A 122 -2.397 -3.977 0.283 1.00 25.31 C ATOM 1372 CD1 ILE A 122 -2.313 -1.735 2.358 1.00 32.11 C ATOM 0 H ILE A 122 -1.371 -0.372 -1.290 1.00 32.21 H new ATOM 0 HA ILE A 122 -0.232 -3.045 -1.090 1.00 24.43 H new ATOM 0 HB ILE A 122 -2.994 -2.010 -0.308 1.00 55.45 H new ATOM 0 HG12 ILE A 122 -0.499 -2.337 1.405 1.00 10.05 H new ATOM 0 HG13 ILE A 122 -1.133 -0.804 0.840 1.00 10.05 H new ATOM 0 HG21 ILE A 122 -3.055 -4.002 1.151 1.00 25.31 H new ATOM 0 HG22 ILE A 122 -2.896 -4.448 -0.564 1.00 25.31 H new ATOM 0 HG23 ILE A 122 -1.478 -4.517 0.509 1.00 25.31 H new ATOM 0 HD11 ILE A 122 -1.787 -1.221 3.163 1.00 32.11 H new ATOM 0 HD12 ILE A 122 -3.220 -1.185 2.108 1.00 32.11 H new ATOM 0 HD13 ILE A 122 -2.576 -2.742 2.682 1.00 32.11 H new ATOM 1384 N TYR A 123 -1.141 -3.925 -3.244 1.00 20.33 N ATOM 1385 CA TYR A 123 -1.678 -4.565 -4.450 1.00 4.44 C ATOM 1386 C TYR A 123 -2.874 -5.474 -4.125 1.00 52.11 C ATOM 1387 O TYR A 123 -2.733 -6.473 -3.420 1.00 74.35 O ATOM 1388 CB TYR A 123 -0.566 -5.373 -5.136 1.00 0.51 C ATOM 1389 CG TYR A 123 -1.012 -6.139 -6.371 1.00 45.51 C ATOM 1390 CD1 TYR A 123 -1.075 -5.522 -7.617 1.00 72.15 C ATOM 1391 CD2 TYR A 123 -1.364 -7.483 -6.291 1.00 64.34 C ATOM 1392 CE1 TYR A 123 -1.474 -6.224 -8.739 1.00 34.03 C ATOM 1393 CE2 TYR A 123 -1.761 -8.190 -7.408 1.00 72.42 C ATOM 1394 CZ TYR A 123 -1.816 -7.556 -8.628 1.00 51.40 C ATOM 1395 OH TYR A 123 -2.212 -8.262 -9.743 1.00 41.32 O ATOM 0 H TYR A 123 -0.186 -4.202 -3.018 1.00 20.33 H new ATOM 0 HA TYR A 123 -2.035 -3.785 -5.122 1.00 4.44 H new ATOM 0 HB2 TYR A 123 0.239 -4.694 -5.417 1.00 0.51 H new ATOM 0 HB3 TYR A 123 -0.151 -6.079 -4.417 1.00 0.51 H new ATOM 0 HD1 TYR A 123 -0.808 -4.479 -7.709 1.00 72.15 H new ATOM 0 HD2 TYR A 123 -1.326 -7.983 -5.335 1.00 64.34 H new ATOM 0 HE1 TYR A 123 -1.518 -5.731 -9.699 1.00 34.03 H new ATOM 0 HE2 TYR A 123 -2.027 -9.234 -7.325 1.00 72.42 H new ATOM 0 HH TYR A 123 -2.045 -7.726 -10.546 1.00 41.32 H new ATOM 1405 N ILE A 124 -4.052 -5.132 -4.651 1.00 10.15 N ATOM 1406 CA ILE A 124 -5.267 -5.912 -4.377 1.00 22.41 C ATOM 1407 C ILE A 124 -5.661 -6.826 -5.550 1.00 24.04 C ATOM 1408 O ILE A 124 -6.284 -7.868 -5.338 1.00 52.10 O ATOM 1409 CB ILE A 124 -6.467 -4.999 -4.006 1.00 43.24 C ATOM 1410 CG1 ILE A 124 -6.819 -4.050 -5.167 1.00 33.53 C ATOM 1411 CG2 ILE A 124 -6.157 -4.205 -2.731 1.00 55.43 C ATOM 1412 CD1 ILE A 124 -8.006 -3.150 -4.889 1.00 31.31 C ATOM 0 H ILE A 124 -4.193 -4.329 -5.264 1.00 10.15 H new ATOM 0 HA ILE A 124 -5.024 -6.543 -3.522 1.00 22.41 H new ATOM 0 HB ILE A 124 -7.334 -5.633 -3.819 1.00 43.24 H new ATOM 0 HG12 ILE A 124 -5.951 -3.430 -5.392 1.00 33.53 H new ATOM 0 HG13 ILE A 124 -7.027 -4.643 -6.058 1.00 33.53 H new ATOM 0 HG21 ILE A 124 -7.007 -3.569 -2.483 1.00 55.43 H new ATOM 0 HG22 ILE A 124 -5.968 -4.896 -1.909 1.00 55.43 H new ATOM 0 HG23 ILE A 124 -5.275 -3.585 -2.894 1.00 55.43 H new ATOM 0 HD11 ILE A 124 -8.190 -2.513 -5.754 1.00 31.31 H new ATOM 0 HD12 ILE A 124 -8.888 -3.760 -4.694 1.00 31.31 H new ATOM 0 HD13 ILE A 124 -7.795 -2.529 -4.019 1.00 31.31 H new ATOM 1424 N GLY A 125 -5.318 -6.444 -6.786 1.00 14.13 N ATOM 1425 CA GLY A 125 -5.641 -7.300 -7.930 1.00 21.44 C ATOM 1426 C GLY A 125 -5.381 -6.671 -9.302 1.00 41.10 C ATOM 1427 O GLY A 125 -5.727 -5.512 -9.544 1.00 21.01 O ATOM 0 H GLY A 125 -4.833 -5.577 -7.015 1.00 14.13 H new ATOM 0 HA2 GLY A 125 -5.060 -8.219 -7.852 1.00 21.44 H new ATOM 0 HA3 GLY A 125 -6.692 -7.581 -7.869 1.00 21.44 H new ATOM 1431 N ASN A 126 -4.770 -7.459 -10.195 1.00 2.34 N ATOM 1432 CA ASN A 126 -4.527 -7.083 -11.594 1.00 50.52 C ATOM 1433 C ASN A 126 -3.557 -5.900 -11.695 1.00 51.44 C ATOM 1434 O ASN A 126 -2.357 -6.076 -11.917 1.00 5.04 O ATOM 1435 CB ASN A 126 -5.844 -6.761 -12.326 1.00 42.22 C ATOM 1436 CG ASN A 126 -6.881 -7.861 -12.184 1.00 34.11 C ATOM 1437 OD1 ASN A 126 -6.902 -8.822 -12.948 1.00 32.12 O ATOM 1438 ND2 ASN A 126 -7.769 -7.717 -11.222 1.00 12.13 N ATOM 0 H ASN A 126 -4.425 -8.390 -9.963 1.00 2.34 H new ATOM 0 HA ASN A 126 -4.067 -7.942 -12.082 1.00 50.52 H new ATOM 0 HB2 ASN A 126 -6.253 -5.830 -11.935 1.00 42.22 H new ATOM 0 HB3 ASN A 126 -5.636 -6.598 -13.384 1.00 42.22 H new ATOM 0 HD21 ASN A 126 -8.501 -8.416 -11.095 1.00 12.13 H new ATOM 0 HD22 ASN A 126 -7.724 -6.907 -10.604 1.00 12.13 H new ATOM 1445 N ASN A 127 -4.090 -4.699 -11.525 1.00 53.34 N ATOM 1446 CA ASN A 127 -3.298 -3.470 -11.586 1.00 54.04 C ATOM 1447 C ASN A 127 -3.757 -2.453 -10.534 1.00 74.20 C ATOM 1448 O ASN A 127 -3.168 -1.383 -10.402 1.00 40.44 O ATOM 1449 CB ASN A 127 -3.414 -2.849 -12.977 1.00 61.42 C ATOM 1450 CG ASN A 127 -2.807 -3.717 -14.062 1.00 31.44 C ATOM 1451 OD1 ASN A 127 -1.514 -3.587 -14.272 1.00 51.32 O flip ATOM 1452 ND2 ASN A 127 -3.495 -4.504 -14.701 1.00 73.24 N flip ATOM 0 H ASN A 127 -5.081 -4.544 -11.341 1.00 53.34 H new ATOM 0 HA ASN A 127 -2.260 -3.730 -11.379 1.00 54.04 H new ATOM 0 HB2 ASN A 127 -4.465 -2.673 -13.205 1.00 61.42 H new ATOM 0 HB3 ASN A 127 -2.921 -1.877 -12.978 1.00 61.42 H new ATOM 0 HD21 ASN A 127 -4.494 -4.578 -14.511 1.00 73.24 H new ATOM 0 HD22 ASN A 127 -3.068 -5.085 -15.423 1.00 73.24 H new ATOM 1459 N GLN A 128 -4.806 -2.791 -9.790 1.00 74.32 N ATOM 1460 CA GLN A 128 -5.367 -1.884 -8.789 1.00 74.51 C ATOM 1461 C GLN A 128 -4.766 -2.136 -7.399 1.00 55.31 C ATOM 1462 O GLN A 128 -4.480 -3.277 -7.020 1.00 64.14 O ATOM 1463 CB GLN A 128 -6.896 -2.010 -8.757 1.00 14.24 C ATOM 1464 CG GLN A 128 -7.570 -1.443 -10.006 1.00 52.23 C ATOM 1465 CD GLN A 128 -9.077 -1.638 -10.035 1.00 43.34 C ATOM 1466 OE1 GLN A 128 -9.703 -1.689 -8.876 1.00 5.12 O flip ATOM 1467 NE2 GLN A 128 -9.680 -1.733 -11.100 1.00 30.51 N flip ATOM 0 H GLN A 128 -5.287 -3.688 -9.860 1.00 74.32 H new ATOM 0 HA GLN A 128 -5.107 -0.865 -9.074 1.00 74.51 H new ATOM 0 HB2 GLN A 128 -7.166 -3.061 -8.651 1.00 14.24 H new ATOM 0 HB3 GLN A 128 -7.279 -1.492 -7.878 1.00 14.24 H new ATOM 0 HG2 GLN A 128 -7.350 -0.378 -10.074 1.00 52.23 H new ATOM 0 HG3 GLN A 128 -7.135 -1.915 -10.887 1.00 52.23 H new ATOM 0 HE21 GLN A 128 -9.168 -1.690 -11.981 1.00 30.51 H new ATOM 0 HE22 GLN A 128 -10.693 -1.855 -11.104 1.00 30.51 H new ATOM 1476 N PHE A 129 -4.580 -1.053 -6.652 1.00 55.12 N ATOM 1477 CA PHE A 129 -3.943 -1.097 -5.333 1.00 32.45 C ATOM 1478 C PHE A 129 -4.438 0.053 -4.444 1.00 42.23 C ATOM 1479 O PHE A 129 -4.716 1.150 -4.933 1.00 12.43 O ATOM 1480 CB PHE A 129 -2.413 -1.027 -5.491 1.00 30.22 C ATOM 1481 CG PHE A 129 -1.956 0.056 -6.440 1.00 10.41 C ATOM 1482 CD1 PHE A 129 -1.849 -0.203 -7.798 1.00 62.50 C ATOM 1483 CD2 PHE A 129 -1.649 1.330 -5.982 1.00 14.21 C ATOM 1484 CE1 PHE A 129 -1.446 0.780 -8.679 1.00 14.21 C ATOM 1485 CE2 PHE A 129 -1.243 2.317 -6.859 1.00 33.41 C ATOM 1486 CZ PHE A 129 -1.142 2.043 -8.211 1.00 3.51 C ATOM 0 H PHE A 129 -4.866 -0.117 -6.941 1.00 55.12 H new ATOM 0 HA PHE A 129 -4.213 -2.036 -4.850 1.00 32.45 H new ATOM 0 HB2 PHE A 129 -1.962 -0.857 -4.513 1.00 30.22 H new ATOM 0 HB3 PHE A 129 -2.048 -1.990 -5.848 1.00 30.22 H new ATOM 0 HD1 PHE A 129 -2.084 -1.188 -8.172 1.00 62.50 H new ATOM 0 HD2 PHE A 129 -1.728 1.552 -4.928 1.00 14.21 H new ATOM 0 HE1 PHE A 129 -1.368 0.561 -9.734 1.00 14.21 H new ATOM 0 HE2 PHE A 129 -1.004 3.303 -6.489 1.00 33.41 H new ATOM 0 HZ PHE A 129 -0.826 2.814 -8.898 1.00 3.51 H new ATOM 1496 N VAL A 130 -4.547 -0.198 -3.142 1.00 25.35 N ATOM 1497 CA VAL A 130 -4.979 0.834 -2.194 1.00 53.32 C ATOM 1498 C VAL A 130 -3.772 1.459 -1.476 1.00 35.12 C ATOM 1499 O VAL A 130 -2.869 0.755 -1.016 1.00 11.22 O ATOM 1500 CB VAL A 130 -5.986 0.272 -1.157 1.00 53.32 C ATOM 1501 CG1 VAL A 130 -5.358 -0.838 -0.317 1.00 30.24 C ATOM 1502 CG2 VAL A 130 -6.535 1.390 -0.270 1.00 64.05 C ATOM 0 H VAL A 130 -4.344 -1.103 -2.717 1.00 25.35 H new ATOM 0 HA VAL A 130 -5.485 1.609 -2.769 1.00 53.32 H new ATOM 0 HB VAL A 130 -6.821 -0.164 -1.706 1.00 53.32 H new ATOM 0 HG11 VAL A 130 -6.090 -1.210 0.400 1.00 30.24 H new ATOM 0 HG12 VAL A 130 -5.041 -1.653 -0.969 1.00 30.24 H new ATOM 0 HG13 VAL A 130 -4.494 -0.445 0.218 1.00 30.24 H new ATOM 0 HG21 VAL A 130 -7.239 0.971 0.449 1.00 64.05 H new ATOM 0 HG22 VAL A 130 -5.713 1.868 0.263 1.00 64.05 H new ATOM 0 HG23 VAL A 130 -7.045 2.128 -0.889 1.00 64.05 H new ATOM 1512 N HIS A 131 -3.755 2.784 -1.395 1.00 72.35 N ATOM 1513 CA HIS A 131 -2.629 3.506 -0.798 1.00 64.43 C ATOM 1514 C HIS A 131 -3.021 4.940 -0.434 1.00 64.31 C ATOM 1515 O HIS A 131 -4.145 5.374 -0.682 1.00 53.05 O ATOM 1516 CB HIS A 131 -1.451 3.536 -1.778 1.00 23.01 C ATOM 1517 CG HIS A 131 -1.722 4.356 -3.006 1.00 44.14 C ATOM 1518 ND1 HIS A 131 -0.982 5.475 -3.297 1.00 5.31 N ATOM 1519 CD2 HIS A 131 -2.657 4.185 -3.972 1.00 75.53 C ATOM 1520 CE1 HIS A 131 -1.476 5.956 -4.421 1.00 53.31 C ATOM 1521 NE2 HIS A 131 -2.491 5.209 -4.866 1.00 5.22 N ATOM 0 H HIS A 131 -4.507 3.384 -1.734 1.00 72.35 H new ATOM 0 HA HIS A 131 -2.340 2.983 0.114 1.00 64.43 H new ATOM 0 HB2 HIS A 131 -0.574 3.935 -1.269 1.00 23.01 H new ATOM 0 HB3 HIS A 131 -1.209 2.516 -2.077 1.00 23.01 H new ATOM 0 HD2 HIS A 131 -3.391 3.394 -4.026 1.00 75.53 H new ATOM 0 HE1 HIS A 131 -1.107 6.841 -4.919 1.00 53.31 H new ATOM 0 HE2 HIS A 131 -3.038 5.371 -5.711 1.00 5.22 H new ATOM 1529 N ALA A 132 -2.079 5.678 0.142 1.00 4.53 N ATOM 1530 CA ALA A 132 -2.299 7.084 0.479 1.00 14.21 C ATOM 1531 C ALA A 132 -1.716 8.012 -0.600 1.00 60.12 C ATOM 1532 O ALA A 132 -0.498 8.106 -0.760 1.00 43.52 O ATOM 1533 CB ALA A 132 -1.699 7.401 1.845 1.00 62.21 C ATOM 0 H ALA A 132 -1.153 5.327 0.387 1.00 4.53 H new ATOM 0 HA ALA A 132 -3.374 7.259 0.521 1.00 14.21 H new ATOM 0 HB1 ALA A 132 -1.870 8.451 2.083 1.00 62.21 H new ATOM 0 HB2 ALA A 132 -2.170 6.776 2.603 1.00 62.21 H new ATOM 0 HB3 ALA A 132 -0.627 7.203 1.826 1.00 62.21 H new ATOM 1539 N SER A 133 -2.588 8.684 -1.350 1.00 33.25 N ATOM 1540 CA SER A 133 -2.155 9.631 -2.391 1.00 71.13 C ATOM 1541 C SER A 133 -1.908 11.025 -1.803 1.00 55.22 C ATOM 1542 O SER A 133 -2.664 11.494 -0.952 1.00 12.10 O ATOM 1543 CB SER A 133 -3.196 9.717 -3.516 1.00 21.04 C ATOM 1544 OG SER A 133 -3.350 8.468 -4.172 1.00 63.11 O ATOM 0 H SER A 133 -3.600 8.594 -1.261 1.00 33.25 H new ATOM 0 HA SER A 133 -1.218 9.259 -2.804 1.00 71.13 H new ATOM 0 HB2 SER A 133 -4.154 10.035 -3.104 1.00 21.04 H new ATOM 0 HB3 SER A 133 -2.892 10.475 -4.238 1.00 21.04 H new ATOM 0 HG SER A 133 -3.284 8.597 -5.141 1.00 63.11 H new ATOM 1550 N THR A 134 -0.857 11.686 -2.288 1.00 32.32 N ATOM 1551 CA THR A 134 -0.404 12.984 -1.750 1.00 31.01 C ATOM 1552 C THR A 134 -1.544 13.998 -1.557 1.00 11.22 C ATOM 1553 O THR A 134 -1.712 14.557 -0.469 1.00 25.04 O ATOM 1554 CB THR A 134 0.664 13.621 -2.670 1.00 4.23 C ATOM 1555 OG1 THR A 134 0.123 13.817 -3.986 1.00 65.41 O ATOM 1556 CG2 THR A 134 1.910 12.743 -2.755 1.00 61.04 C ATOM 0 H THR A 134 -0.291 11.343 -3.064 1.00 32.32 H new ATOM 0 HA THR A 134 0.016 12.758 -0.770 1.00 31.01 H new ATOM 0 HB THR A 134 0.948 14.583 -2.243 1.00 4.23 H new ATOM 0 HG1 THR A 134 0.804 14.222 -4.563 1.00 65.41 H new ATOM 0 HG21 THR A 134 2.644 13.215 -3.408 1.00 61.04 H new ATOM 0 HG22 THR A 134 2.337 12.619 -1.760 1.00 61.04 H new ATOM 0 HG23 THR A 134 1.640 11.767 -3.158 1.00 61.04 H new ATOM 1564 N SER A 135 -2.310 14.240 -2.613 1.00 20.34 N ATOM 1565 CA SER A 135 -3.378 15.252 -2.590 1.00 55.31 C ATOM 1566 C SER A 135 -4.732 14.671 -2.143 1.00 13.25 C ATOM 1567 O SER A 135 -5.208 14.949 -1.038 1.00 64.21 O ATOM 1568 CB SER A 135 -3.518 15.882 -3.980 1.00 11.41 C ATOM 1569 OG SER A 135 -3.790 14.892 -4.963 1.00 12.14 O ATOM 0 H SER A 135 -2.217 13.751 -3.503 1.00 20.34 H new ATOM 0 HA SER A 135 -3.095 16.009 -1.858 1.00 55.31 H new ATOM 0 HB2 SER A 135 -4.321 16.620 -3.970 1.00 11.41 H new ATOM 0 HB3 SER A 135 -2.601 16.412 -4.237 1.00 11.41 H new ATOM 0 HG SER A 135 -3.877 15.318 -5.841 1.00 12.14 H new ATOM 1575 N SER A 136 -5.341 13.861 -3.008 1.00 51.43 N ATOM 1576 CA SER A 136 -6.688 13.310 -2.766 1.00 14.22 C ATOM 1577 C SER A 136 -6.773 12.484 -1.474 1.00 54.14 C ATOM 1578 O SER A 136 -7.840 12.375 -0.872 1.00 14.30 O ATOM 1579 CB SER A 136 -7.131 12.448 -3.957 1.00 31.22 C ATOM 1580 OG SER A 136 -7.177 13.208 -5.158 1.00 51.22 O ATOM 0 H SER A 136 -4.925 13.566 -3.891 1.00 51.43 H new ATOM 0 HA SER A 136 -7.357 14.163 -2.650 1.00 14.22 H new ATOM 0 HB2 SER A 136 -6.442 11.612 -4.080 1.00 31.22 H new ATOM 0 HB3 SER A 136 -8.114 12.024 -3.755 1.00 31.22 H new ATOM 0 HG SER A 136 -7.460 12.632 -5.899 1.00 51.22 H new ATOM 1586 N GLY A 137 -5.655 11.907 -1.046 1.00 44.14 N ATOM 1587 CA GLY A 137 -5.646 11.100 0.172 1.00 45.22 C ATOM 1588 C GLY A 137 -5.663 9.598 -0.101 1.00 33.10 C ATOM 1589 O GLY A 137 -5.321 9.155 -1.198 1.00 44.02 O ATOM 0 H GLY A 137 -4.753 11.980 -1.517 1.00 44.14 H new ATOM 0 HA2 GLY A 137 -4.760 11.346 0.757 1.00 45.22 H new ATOM 0 HA3 GLY A 137 -6.512 11.362 0.780 1.00 45.22 H new ATOM 1593 N VAL A 138 -6.061 8.812 0.899 1.00 42.53 N ATOM 1594 CA VAL A 138 -6.077 7.348 0.778 1.00 55.31 C ATOM 1595 C VAL A 138 -7.125 6.867 -0.244 1.00 2.44 C ATOM 1596 O VAL A 138 -8.332 6.939 0.001 1.00 24.33 O ATOM 1597 CB VAL A 138 -6.339 6.667 2.149 1.00 22.42 C ATOM 1598 CG1 VAL A 138 -6.132 5.156 2.051 1.00 62.44 C ATOM 1599 CG2 VAL A 138 -5.448 7.271 3.235 1.00 1.12 C ATOM 0 H VAL A 138 -6.377 9.161 1.804 1.00 42.53 H new ATOM 0 HA VAL A 138 -5.088 7.058 0.422 1.00 55.31 H new ATOM 0 HB VAL A 138 -7.377 6.849 2.426 1.00 22.42 H new ATOM 0 HG11 VAL A 138 -6.321 4.699 3.022 1.00 62.44 H new ATOM 0 HG12 VAL A 138 -6.821 4.741 1.315 1.00 62.44 H new ATOM 0 HG13 VAL A 138 -5.107 4.948 1.745 1.00 62.44 H new ATOM 0 HG21 VAL A 138 -5.649 6.778 4.186 1.00 1.12 H new ATOM 0 HG22 VAL A 138 -4.401 7.129 2.967 1.00 1.12 H new ATOM 0 HG23 VAL A 138 -5.658 8.337 3.327 1.00 1.12 H new ATOM 1609 N ILE A 139 -6.654 6.369 -1.393 1.00 43.43 N ATOM 1610 CA ILE A 139 -7.541 5.912 -2.476 1.00 23.42 C ATOM 1611 C ILE A 139 -7.040 4.602 -3.109 1.00 43.45 C ATOM 1612 O ILE A 139 -6.008 4.058 -2.710 1.00 14.21 O ATOM 1613 CB ILE A 139 -7.676 6.981 -3.596 1.00 52.15 C ATOM 1614 CG1 ILE A 139 -6.317 7.235 -4.271 1.00 21.21 C ATOM 1615 CG2 ILE A 139 -8.257 8.279 -3.039 1.00 24.11 C ATOM 1616 CD1 ILE A 139 -6.384 8.205 -5.435 1.00 5.31 C ATOM 0 H ILE A 139 -5.660 6.271 -1.600 1.00 43.43 H new ATOM 0 HA ILE A 139 -8.515 5.742 -2.017 1.00 23.42 H new ATOM 0 HB ILE A 139 -8.364 6.599 -4.350 1.00 52.15 H new ATOM 0 HG12 ILE A 139 -5.619 7.621 -3.528 1.00 21.21 H new ATOM 0 HG13 ILE A 139 -5.914 6.286 -4.624 1.00 21.21 H new ATOM 0 HG21 ILE A 139 -8.343 9.013 -3.840 1.00 24.11 H new ATOM 0 HG22 ILE A 139 -9.243 8.085 -2.618 1.00 24.11 H new ATOM 0 HG23 ILE A 139 -7.600 8.667 -2.260 1.00 24.11 H new ATOM 0 HD11 ILE A 139 -5.388 8.333 -5.859 1.00 5.31 H new ATOM 0 HD12 ILE A 139 -7.056 7.812 -6.198 1.00 5.31 H new ATOM 0 HD13 ILE A 139 -6.756 9.168 -5.085 1.00 5.31 H new ATOM 1628 N ILE A 140 -7.788 4.101 -4.092 1.00 32.44 N ATOM 1629 CA ILE A 140 -7.393 2.907 -4.853 1.00 31.33 C ATOM 1630 C ILE A 140 -7.016 3.285 -6.296 1.00 21.24 C ATOM 1631 O ILE A 140 -7.879 3.660 -7.091 1.00 62.22 O ATOM 1632 CB ILE A 140 -8.530 1.850 -4.881 1.00 43.35 C ATOM 1633 CG1 ILE A 140 -8.917 1.440 -3.448 1.00 74.44 C ATOM 1634 CG2 ILE A 140 -8.112 0.623 -5.700 1.00 32.41 C ATOM 1635 CD1 ILE A 140 -10.049 0.435 -3.380 1.00 71.33 C ATOM 0 H ILE A 140 -8.678 4.504 -4.384 1.00 32.44 H new ATOM 0 HA ILE A 140 -6.527 2.475 -4.351 1.00 31.33 H new ATOM 0 HB ILE A 140 -9.401 2.296 -5.360 1.00 43.35 H new ATOM 0 HG12 ILE A 140 -8.042 1.020 -2.952 1.00 74.44 H new ATOM 0 HG13 ILE A 140 -9.202 2.332 -2.890 1.00 74.44 H new ATOM 0 HG21 ILE A 140 -8.924 -0.104 -5.706 1.00 32.41 H new ATOM 0 HG22 ILE A 140 -7.890 0.927 -6.723 1.00 32.41 H new ATOM 0 HG23 ILE A 140 -7.225 0.173 -5.254 1.00 32.41 H new ATOM 0 HD11 ILE A 140 -10.262 0.197 -2.338 1.00 71.33 H new ATOM 0 HD12 ILE A 140 -10.939 0.858 -3.845 1.00 71.33 H new ATOM 0 HD13 ILE A 140 -9.761 -0.474 -3.908 1.00 71.33 H new ATOM 1647 N SER A 141 -5.731 3.183 -6.629 1.00 44.03 N ATOM 1648 CA SER A 141 -5.235 3.579 -7.960 1.00 24.34 C ATOM 1649 C SER A 141 -4.996 2.360 -8.864 1.00 22.42 C ATOM 1650 O SER A 141 -5.074 1.215 -8.416 1.00 33.15 O ATOM 1651 CB SER A 141 -3.937 4.387 -7.830 1.00 34.01 C ATOM 1652 OG SER A 141 -4.139 5.572 -7.074 1.00 21.04 O ATOM 0 H SER A 141 -5.009 2.830 -6.001 1.00 44.03 H new ATOM 0 HA SER A 141 -6.004 4.198 -8.421 1.00 24.34 H new ATOM 0 HB2 SER A 141 -3.172 3.775 -7.353 1.00 34.01 H new ATOM 0 HB3 SER A 141 -3.566 4.645 -8.822 1.00 34.01 H new ATOM 0 HG SER A 141 -3.446 6.227 -7.301 1.00 21.04 H new ATOM 1658 N SER A 142 -4.688 2.616 -10.137 1.00 13.03 N ATOM 1659 CA SER A 142 -4.477 1.539 -11.121 1.00 32.33 C ATOM 1660 C SER A 142 -3.182 1.739 -11.920 1.00 3.32 C ATOM 1661 O SER A 142 -2.858 2.849 -12.338 1.00 52.13 O ATOM 1662 CB SER A 142 -5.664 1.466 -12.091 1.00 62.42 C ATOM 1663 OG SER A 142 -5.481 0.444 -13.061 1.00 41.30 O ATOM 0 H SER A 142 -4.578 3.557 -10.516 1.00 13.03 H new ATOM 0 HA SER A 142 -4.393 0.606 -10.564 1.00 32.33 H new ATOM 0 HB2 SER A 142 -6.581 1.279 -11.532 1.00 62.42 H new ATOM 0 HB3 SER A 142 -5.786 2.427 -12.591 1.00 62.42 H new ATOM 0 HG SER A 142 -6.289 -0.108 -13.111 1.00 41.30 H new ATOM 1669 N MET A 143 -2.453 0.645 -12.152 1.00 54.01 N ATOM 1670 CA MET A 143 -1.200 0.689 -12.922 1.00 54.23 C ATOM 1671 C MET A 143 -1.452 0.977 -14.412 1.00 71.23 C ATOM 1672 O MET A 143 -0.508 1.167 -15.180 1.00 43.02 O ATOM 1673 CB MET A 143 -0.437 -0.634 -12.786 1.00 53.15 C ATOM 1674 CG MET A 143 -0.039 -0.982 -11.361 1.00 13.00 C ATOM 1675 SD MET A 143 0.746 -2.602 -11.255 1.00 12.53 S ATOM 1676 CE MET A 143 0.976 -2.752 -9.485 1.00 64.45 C ATOM 0 H MET A 143 -2.706 -0.285 -11.819 1.00 54.01 H new ATOM 0 HA MET A 143 -0.603 1.503 -12.511 1.00 54.23 H new ATOM 0 HB2 MET A 143 -1.054 -1.439 -13.185 1.00 53.15 H new ATOM 0 HB3 MET A 143 0.462 -0.587 -13.401 1.00 53.15 H new ATOM 0 HG2 MET A 143 0.644 -0.223 -10.980 1.00 13.00 H new ATOM 0 HG3 MET A 143 -0.923 -0.965 -10.723 1.00 13.00 H new ATOM 0 HE1 MET A 143 0.776 -3.778 -9.178 1.00 64.45 H new ATOM 0 HE2 MET A 143 2.002 -2.490 -9.228 1.00 64.45 H new ATOM 0 HE3 MET A 143 0.290 -2.079 -8.971 1.00 64.45 H new ATOM 1686 N ASN A 144 -2.719 0.976 -14.826 1.00 1.14 N ATOM 1687 CA ASN A 144 -3.074 1.342 -16.202 1.00 53.25 C ATOM 1688 C ASN A 144 -3.021 2.866 -16.387 1.00 5.24 C ATOM 1689 O ASN A 144 -2.929 3.366 -17.510 1.00 55.45 O ATOM 1690 CB ASN A 144 -4.464 0.810 -16.570 1.00 42.40 C ATOM 1691 CG ASN A 144 -4.543 -0.703 -16.480 1.00 11.03 C ATOM 1692 OD1 ASN A 144 -4.203 -1.415 -17.420 1.00 22.21 O ATOM 1693 ND2 ASN A 144 -4.999 -1.209 -15.354 1.00 23.42 N ATOM 0 H ASN A 144 -3.513 0.728 -14.236 1.00 1.14 H new ATOM 0 HA ASN A 144 -2.345 0.884 -16.870 1.00 53.25 H new ATOM 0 HB2 ASN A 144 -5.207 1.251 -15.905 1.00 42.40 H new ATOM 0 HB3 ASN A 144 -4.715 1.125 -17.583 1.00 42.40 H new ATOM 0 HD21 ASN A 144 -5.078 -2.220 -15.244 1.00 23.42 H new ATOM 0 HD22 ASN A 144 -5.273 -0.590 -14.591 1.00 23.42 H new ATOM 1700 N GLU A 145 -3.077 3.597 -15.276 1.00 3.44 N ATOM 1701 CA GLU A 145 -2.941 5.053 -15.300 1.00 22.30 C ATOM 1702 C GLU A 145 -1.481 5.448 -15.596 1.00 44.02 C ATOM 1703 O GLU A 145 -0.565 5.039 -14.877 1.00 64.54 O ATOM 1704 CB GLU A 145 -3.402 5.648 -13.959 1.00 13.21 C ATOM 1705 CG GLU A 145 -4.850 5.306 -13.607 1.00 35.22 C ATOM 1706 CD GLU A 145 -5.305 5.922 -12.292 1.00 24.11 C ATOM 1707 OE1 GLU A 145 -5.789 7.073 -12.304 1.00 63.53 O ATOM 1708 OE2 GLU A 145 -5.184 5.261 -11.238 1.00 12.15 O ATOM 0 H GLU A 145 -3.216 3.204 -14.345 1.00 3.44 H new ATOM 0 HA GLU A 145 -3.572 5.454 -16.093 1.00 22.30 H new ATOM 0 HB2 GLU A 145 -2.748 5.286 -13.166 1.00 13.21 H new ATOM 0 HB3 GLU A 145 -3.291 6.732 -13.994 1.00 13.21 H new ATOM 0 HG2 GLU A 145 -5.504 5.650 -14.408 1.00 35.22 H new ATOM 0 HG3 GLU A 145 -4.958 4.223 -13.551 1.00 35.22 H new ATOM 1715 N PRO A 146 -1.247 6.266 -16.646 1.00 31.12 N ATOM 1716 CA PRO A 146 0.110 6.579 -17.147 1.00 33.33 C ATOM 1717 C PRO A 146 1.104 6.995 -16.047 1.00 43.34 C ATOM 1718 O PRO A 146 2.278 6.619 -16.087 1.00 11.23 O ATOM 1719 CB PRO A 146 -0.124 7.739 -18.140 1.00 32.13 C ATOM 1720 CG PRO A 146 -1.537 8.182 -17.917 1.00 65.05 C ATOM 1721 CD PRO A 146 -2.279 6.973 -17.420 1.00 30.30 C ATOM 0 HA PRO A 146 0.570 5.698 -17.593 1.00 33.33 H new ATOM 0 HB2 PRO A 146 0.576 8.555 -17.961 1.00 32.13 H new ATOM 0 HB3 PRO A 146 0.026 7.411 -19.168 1.00 32.13 H new ATOM 0 HG2 PRO A 146 -1.581 8.993 -17.190 1.00 65.05 H new ATOM 0 HG3 PRO A 146 -1.978 8.558 -18.840 1.00 65.05 H new ATOM 0 HD2 PRO A 146 -3.134 7.247 -16.802 1.00 30.30 H new ATOM 0 HD3 PRO A 146 -2.660 6.364 -18.240 1.00 30.30 H new ATOM 1729 N TYR A 147 0.632 7.762 -15.065 1.00 30.11 N ATOM 1730 CA TYR A 147 1.490 8.229 -13.970 1.00 33.43 C ATOM 1731 C TYR A 147 2.029 7.050 -13.136 1.00 42.43 C ATOM 1732 O TYR A 147 3.222 6.982 -12.832 1.00 41.25 O ATOM 1733 CB TYR A 147 0.718 9.210 -13.073 1.00 45.43 C ATOM 1734 CG TYR A 147 1.589 9.939 -12.064 1.00 31.13 C ATOM 1735 CD1 TYR A 147 2.304 11.076 -12.433 1.00 25.45 C ATOM 1736 CD2 TYR A 147 1.697 9.498 -10.749 1.00 1.32 C ATOM 1737 CE1 TYR A 147 3.101 11.747 -11.523 1.00 24.12 C ATOM 1738 CE2 TYR A 147 2.490 10.166 -9.834 1.00 2.54 C ATOM 1739 CZ TYR A 147 3.189 11.289 -10.227 1.00 53.43 C ATOM 1740 OH TYR A 147 3.991 11.948 -9.319 1.00 20.24 O ATOM 0 H TYR A 147 -0.337 8.074 -15.003 1.00 30.11 H new ATOM 0 HA TYR A 147 2.344 8.745 -14.408 1.00 33.43 H new ATOM 0 HB2 TYR A 147 0.216 9.945 -13.703 1.00 45.43 H new ATOM 0 HB3 TYR A 147 -0.060 8.664 -12.539 1.00 45.43 H new ATOM 0 HD1 TYR A 147 2.235 11.440 -13.447 1.00 25.45 H new ATOM 0 HD2 TYR A 147 1.152 8.619 -10.437 1.00 1.32 H new ATOM 0 HE1 TYR A 147 3.651 12.625 -11.827 1.00 24.12 H new ATOM 0 HE2 TYR A 147 2.562 9.810 -8.817 1.00 2.54 H new ATOM 0 HH TYR A 147 3.940 11.497 -8.450 1.00 20.24 H new ATOM 1750 N TRP A 148 1.148 6.114 -12.789 1.00 72.20 N ATOM 1751 CA TRP A 148 1.525 4.958 -11.958 1.00 53.52 C ATOM 1752 C TRP A 148 2.203 3.864 -12.795 1.00 5.31 C ATOM 1753 O TRP A 148 3.035 3.107 -12.296 1.00 33.42 O ATOM 1754 CB TRP A 148 0.291 4.390 -11.245 1.00 51.14 C ATOM 1755 CG TRP A 148 -0.383 5.394 -10.355 1.00 64.02 C ATOM 1756 CD1 TRP A 148 -1.614 5.959 -10.532 1.00 61.41 C ATOM 1757 CD2 TRP A 148 0.157 5.970 -9.159 1.00 65.23 C ATOM 1758 NE1 TRP A 148 -1.876 6.839 -9.512 1.00 21.04 N ATOM 1759 CE2 TRP A 148 -0.805 6.865 -8.658 1.00 31.23 C ATOM 1760 CE3 TRP A 148 1.359 5.814 -8.460 1.00 0.14 C ATOM 1761 CZ2 TRP A 148 -0.605 7.601 -7.495 1.00 45.10 C ATOM 1762 CZ3 TRP A 148 1.556 6.543 -7.304 1.00 53.04 C ATOM 1763 CH2 TRP A 148 0.579 7.427 -6.831 1.00 61.12 C ATOM 0 H TRP A 148 0.167 6.128 -13.067 1.00 72.20 H new ATOM 0 HA TRP A 148 2.241 5.303 -11.212 1.00 53.52 H new ATOM 0 HB2 TRP A 148 -0.422 4.036 -11.990 1.00 51.14 H new ATOM 0 HB3 TRP A 148 0.587 3.526 -10.650 1.00 51.14 H new ATOM 0 HD1 TRP A 148 -2.282 5.745 -11.353 1.00 61.41 H new ATOM 0 HE1 TRP A 148 -2.731 7.386 -9.407 1.00 21.04 H new ATOM 0 HE3 TRP A 148 2.119 5.136 -8.818 1.00 0.14 H new ATOM 0 HZ2 TRP A 148 -1.357 8.285 -7.129 1.00 45.10 H new ATOM 0 HZ3 TRP A 148 2.479 6.429 -6.756 1.00 53.04 H new ATOM 0 HH2 TRP A 148 0.763 7.983 -5.924 1.00 61.12 H new ATOM 1774 N LYS A 149 1.846 3.804 -14.071 1.00 1.42 N ATOM 1775 CA LYS A 149 2.413 2.821 -14.999 1.00 71.40 C ATOM 1776 C LYS A 149 3.934 3.002 -15.156 1.00 33.13 C ATOM 1777 O LYS A 149 4.686 2.026 -15.190 1.00 1.45 O ATOM 1778 CB LYS A 149 1.708 2.936 -16.357 1.00 52.53 C ATOM 1779 CG LYS A 149 2.134 1.888 -17.378 1.00 20.11 C ATOM 1780 CD LYS A 149 1.204 1.879 -18.588 1.00 12.13 C ATOM 1781 CE LYS A 149 1.153 3.231 -19.287 1.00 43.33 C ATOM 1782 NZ LYS A 149 0.249 3.205 -20.465 1.00 32.10 N ATOM 0 H LYS A 149 1.160 4.429 -14.495 1.00 1.42 H new ATOM 0 HA LYS A 149 2.249 1.824 -14.590 1.00 71.40 H new ATOM 0 HB2 LYS A 149 0.632 2.858 -16.202 1.00 52.53 H new ATOM 0 HB3 LYS A 149 1.900 3.927 -16.770 1.00 52.53 H new ATOM 0 HG2 LYS A 149 3.155 2.089 -17.703 1.00 20.11 H new ATOM 0 HG3 LYS A 149 2.136 0.903 -16.911 1.00 20.11 H new ATOM 0 HD2 LYS A 149 1.538 1.119 -19.295 1.00 12.13 H new ATOM 0 HD3 LYS A 149 0.200 1.599 -18.270 1.00 12.13 H new ATOM 0 HE2 LYS A 149 0.813 3.992 -18.584 1.00 43.33 H new ATOM 0 HE3 LYS A 149 2.156 3.515 -19.604 1.00 43.33 H new ATOM 0 HZ1 LYS A 149 0.239 4.142 -20.916 1.00 32.10 H new ATOM 0 HZ2 LYS A 149 0.587 2.496 -21.147 1.00 32.10 H new ATOM 0 HZ3 LYS A 149 -0.714 2.958 -20.158 1.00 32.10 H new ATOM 1796 N LYS A 150 4.379 4.255 -15.253 1.00 21.01 N ATOM 1797 CA LYS A 150 5.816 4.563 -15.311 1.00 3.31 C ATOM 1798 C LYS A 150 6.434 4.627 -13.900 1.00 12.54 C ATOM 1799 O LYS A 150 7.649 4.488 -13.729 1.00 41.25 O ATOM 1800 CB LYS A 150 6.048 5.885 -16.060 1.00 52.05 C ATOM 1801 CG LYS A 150 5.365 7.096 -15.425 1.00 44.10 C ATOM 1802 CD LYS A 150 5.608 8.375 -16.228 1.00 63.42 C ATOM 1803 CE LYS A 150 5.084 8.266 -17.659 1.00 2.24 C ATOM 1804 NZ LYS A 150 5.376 9.487 -18.456 1.00 11.44 N ATOM 0 H LYS A 150 3.771 5.073 -15.293 1.00 21.01 H new ATOM 0 HA LYS A 150 6.311 3.758 -15.855 1.00 3.31 H new ATOM 0 HB2 LYS A 150 7.120 6.075 -16.115 1.00 52.05 H new ATOM 0 HB3 LYS A 150 5.691 5.776 -17.084 1.00 52.05 H new ATOM 0 HG2 LYS A 150 4.293 6.911 -15.352 1.00 44.10 H new ATOM 0 HG3 LYS A 150 5.735 7.230 -14.409 1.00 44.10 H new ATOM 0 HD2 LYS A 150 5.123 9.213 -15.728 1.00 63.42 H new ATOM 0 HD3 LYS A 150 6.676 8.591 -16.249 1.00 63.42 H new ATOM 0 HE2 LYS A 150 5.534 7.400 -18.145 1.00 2.24 H new ATOM 0 HE3 LYS A 150 4.008 8.096 -17.638 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 5.003 9.370 -19.420 1.00 11.44 H new ATOM 0 HZ2 LYS A 150 4.925 10.310 -18.008 1.00 11.44 H new ATOM 0 HZ3 LYS A 150 6.404 9.636 -18.498 1.00 11.44 H new ATOM 1818 N ARG A 151 5.588 4.845 -12.893 1.00 4.30 N ATOM 1819 CA ARG A 151 6.027 4.875 -11.490 1.00 60.43 C ATOM 1820 C ARG A 151 6.382 3.466 -10.976 1.00 60.23 C ATOM 1821 O ARG A 151 7.345 3.296 -10.230 1.00 62.32 O ATOM 1822 CB ARG A 151 4.926 5.496 -10.605 1.00 34.13 C ATOM 1823 CG ARG A 151 5.271 6.860 -10.007 1.00 11.43 C ATOM 1824 CD ARG A 151 5.634 7.901 -11.067 1.00 44.23 C ATOM 1825 NE ARG A 151 5.654 9.256 -10.505 1.00 15.34 N ATOM 1826 CZ ARG A 151 6.642 10.103 -10.626 1.00 31.31 C ATOM 1827 NH1 ARG A 151 7.732 9.772 -11.237 1.00 33.55 N ATOM 1828 NH2 ARG A 151 6.537 11.285 -10.118 1.00 44.22 N ATOM 0 H ARG A 151 4.589 5.005 -13.020 1.00 4.30 H new ATOM 0 HA ARG A 151 6.927 5.488 -11.436 1.00 60.43 H new ATOM 0 HB2 ARG A 151 4.017 5.596 -11.198 1.00 34.13 H new ATOM 0 HB3 ARG A 151 4.702 4.806 -9.792 1.00 34.13 H new ATOM 0 HG2 ARG A 151 4.422 7.221 -9.426 1.00 11.43 H new ATOM 0 HG3 ARG A 151 6.106 6.747 -9.315 1.00 11.43 H new ATOM 0 HD2 ARG A 151 6.611 7.667 -11.489 1.00 44.23 H new ATOM 0 HD3 ARG A 151 4.914 7.856 -11.885 1.00 44.23 H new ATOM 0 HE ARG A 151 4.834 9.560 -9.980 1.00 15.34 H new ATOM 0 HH11 ARG A 151 7.831 8.837 -11.634 1.00 33.55 H new ATOM 0 HH12 ARG A 151 8.493 10.445 -11.322 1.00 33.55 H new ATOM 0 HH21 ARG A 151 5.686 11.554 -9.625 1.00 44.22 H new ATOM 0 HH22 ARG A 151 7.305 11.950 -10.210 1.00 44.22 H new ATOM 1842 N TYR A 152 5.597 2.467 -11.379 1.00 63.40 N ATOM 1843 CA TYR A 152 5.779 1.083 -10.918 1.00 43.20 C ATOM 1844 C TYR A 152 7.198 0.560 -11.197 1.00 22.31 C ATOM 1845 O TYR A 152 7.546 0.234 -12.335 1.00 24.24 O ATOM 1846 CB TYR A 152 4.734 0.167 -11.578 1.00 1.13 C ATOM 1847 CG TYR A 152 4.856 -1.298 -11.183 1.00 13.51 C ATOM 1848 CD1 TYR A 152 4.740 -1.690 -9.853 1.00 42.22 C ATOM 1849 CD2 TYR A 152 5.096 -2.287 -12.137 1.00 12.52 C ATOM 1850 CE1 TYR A 152 4.860 -3.017 -9.486 1.00 33.24 C ATOM 1851 CE2 TYR A 152 5.218 -3.617 -11.773 1.00 10.23 C ATOM 1852 CZ TYR A 152 5.099 -3.976 -10.448 1.00 42.55 C ATOM 1853 OH TYR A 152 5.228 -5.297 -10.082 1.00 2.12 O ATOM 0 H TYR A 152 4.821 2.589 -12.030 1.00 63.40 H new ATOM 0 HA TYR A 152 5.639 1.076 -9.837 1.00 43.20 H new ATOM 0 HB2 TYR A 152 3.737 0.522 -11.315 1.00 1.13 H new ATOM 0 HB3 TYR A 152 4.826 0.249 -12.661 1.00 1.13 H new ATOM 0 HD1 TYR A 152 4.553 -0.944 -9.094 1.00 42.22 H new ATOM 0 HD2 TYR A 152 5.188 -2.010 -13.177 1.00 12.52 H new ATOM 0 HE1 TYR A 152 4.767 -3.302 -8.449 1.00 33.24 H new ATOM 0 HE2 TYR A 152 5.406 -4.370 -12.524 1.00 10.23 H new ATOM 0 HH TYR A 152 5.392 -5.843 -10.879 1.00 2.12 H new ATOM 1863 N ASN A 153 8.011 0.490 -10.143 1.00 34.15 N ATOM 1864 CA ASN A 153 9.388 -0.004 -10.249 1.00 1.31 C ATOM 1865 C ASN A 153 9.438 -1.530 -10.068 1.00 63.41 C ATOM 1866 O ASN A 153 9.999 -2.250 -10.901 1.00 63.41 O ATOM 1867 CB ASN A 153 10.268 0.683 -9.193 1.00 13.54 C ATOM 1868 CG ASN A 153 11.749 0.390 -9.374 1.00 74.43 C ATOM 1869 OD1 ASN A 153 12.454 1.112 -10.070 1.00 21.03 O ATOM 1870 ND2 ASN A 153 12.239 -0.662 -8.751 1.00 3.24 N ATOM 0 H ASN A 153 7.740 0.770 -9.200 1.00 34.15 H new ATOM 0 HA ASN A 153 9.766 0.233 -11.244 1.00 1.31 H new ATOM 0 HB2 ASN A 153 10.108 1.760 -9.239 1.00 13.54 H new ATOM 0 HB3 ASN A 153 9.957 0.357 -8.201 1.00 13.54 H new ATOM 0 HD21 ASN A 153 13.228 -0.893 -8.841 1.00 3.24 H new ATOM 0 HD22 ASN A 153 11.629 -1.245 -8.178 1.00 3.24 H new ATOM 1877 N GLU A 154 8.839 -2.015 -8.979 1.00 34.11 N ATOM 1878 CA GLU A 154 8.839 -3.450 -8.652 1.00 14.32 C ATOM 1879 C GLU A 154 7.826 -3.769 -7.542 1.00 42.20 C ATOM 1880 O GLU A 154 7.256 -2.863 -6.932 1.00 12.01 O ATOM 1881 CB GLU A 154 10.242 -3.894 -8.211 1.00 4.43 C ATOM 1882 CG GLU A 154 10.733 -3.210 -6.937 1.00 45.10 C ATOM 1883 CD GLU A 154 12.188 -3.517 -6.625 1.00 74.23 C ATOM 1884 OE1 GLU A 154 13.073 -2.861 -7.207 1.00 44.35 O ATOM 1885 OE2 GLU A 154 12.455 -4.411 -5.797 1.00 31.31 O ATOM 0 H GLU A 154 8.344 -1.434 -8.302 1.00 34.11 H new ATOM 0 HA GLU A 154 8.549 -3.996 -9.550 1.00 14.32 H new ATOM 0 HB2 GLU A 154 10.239 -4.973 -8.055 1.00 4.43 H new ATOM 0 HB3 GLU A 154 10.947 -3.690 -9.017 1.00 4.43 H new ATOM 0 HG2 GLU A 154 10.608 -2.132 -7.038 1.00 45.10 H new ATOM 0 HG3 GLU A 154 10.112 -3.526 -6.099 1.00 45.10 H new ATOM 1892 N ALA A 155 7.610 -5.057 -7.283 1.00 44.42 N ATOM 1893 CA ALA A 155 6.706 -5.499 -6.212 1.00 71.51 C ATOM 1894 C ALA A 155 7.452 -6.369 -5.191 1.00 21.12 C ATOM 1895 O ALA A 155 8.459 -6.989 -5.528 1.00 72.12 O ATOM 1896 CB ALA A 155 5.532 -6.266 -6.807 1.00 64.33 C ATOM 0 H ALA A 155 8.049 -5.819 -7.800 1.00 44.42 H new ATOM 0 HA ALA A 155 6.328 -4.619 -5.692 1.00 71.51 H new ATOM 0 HB1 ALA A 155 4.866 -6.590 -6.007 1.00 64.33 H new ATOM 0 HB2 ALA A 155 4.986 -5.620 -7.494 1.00 64.33 H new ATOM 0 HB3 ALA A 155 5.903 -7.138 -7.346 1.00 64.33 H new ATOM 1902 N ARG A 156 6.961 -6.417 -3.950 1.00 45.14 N ATOM 1903 CA ARG A 156 7.625 -7.172 -2.871 1.00 62.31 C ATOM 1904 C ARG A 156 6.608 -7.742 -1.864 1.00 65.21 C ATOM 1905 O ARG A 156 5.888 -6.997 -1.196 1.00 73.35 O ATOM 1906 CB ARG A 156 8.642 -6.287 -2.131 1.00 24.13 C ATOM 1907 CG ARG A 156 9.793 -5.798 -3.007 1.00 2.54 C ATOM 1908 CD ARG A 156 10.851 -5.055 -2.205 1.00 35.33 C ATOM 1909 NE ARG A 156 11.975 -4.638 -3.042 1.00 62.42 N ATOM 1910 CZ ARG A 156 13.194 -4.472 -2.610 1.00 24.30 C ATOM 1911 NH1 ARG A 156 13.497 -4.698 -1.374 1.00 51.52 N ATOM 1912 NH2 ARG A 156 14.118 -4.084 -3.425 1.00 3.43 N ATOM 0 H ARG A 156 6.105 -5.943 -3.662 1.00 45.14 H new ATOM 0 HA ARG A 156 8.147 -8.006 -3.340 1.00 62.31 H new ATOM 0 HB2 ARG A 156 8.122 -5.423 -1.716 1.00 24.13 H new ATOM 0 HB3 ARG A 156 9.051 -6.847 -1.290 1.00 24.13 H new ATOM 0 HG2 ARG A 156 10.252 -6.650 -3.509 1.00 2.54 H new ATOM 0 HG3 ARG A 156 9.402 -5.142 -3.785 1.00 2.54 H new ATOM 0 HD2 ARG A 156 10.403 -4.179 -1.736 1.00 35.33 H new ATOM 0 HD3 ARG A 156 11.214 -5.696 -1.402 1.00 35.33 H new ATOM 0 HE ARG A 156 11.793 -4.465 -4.031 1.00 62.42 H new ATOM 0 HH11 ARG A 156 12.778 -5.011 -0.722 1.00 51.52 H new ATOM 0 HH12 ARG A 156 14.455 -4.564 -1.051 1.00 51.52 H new ATOM 0 HH21 ARG A 156 13.893 -3.908 -4.404 1.00 3.43 H new ATOM 0 HH22 ARG A 156 15.072 -3.953 -3.089 1.00 3.43 H new ATOM 1926 N ARG A 157 6.577 -9.066 -1.733 1.00 53.14 N ATOM 1927 CA ARG A 157 5.618 -9.733 -0.839 1.00 62.34 C ATOM 1928 C ARG A 157 6.151 -9.835 0.599 1.00 20.53 C ATOM 1929 O ARG A 157 7.082 -10.594 0.880 1.00 14.32 O ATOM 1930 CB ARG A 157 5.249 -11.139 -1.356 1.00 12.32 C ATOM 1931 CG ARG A 157 6.451 -12.047 -1.640 1.00 50.13 C ATOM 1932 CD ARG A 157 6.912 -11.949 -3.091 1.00 75.50 C ATOM 1933 NE ARG A 157 8.240 -12.527 -3.298 1.00 3.32 N ATOM 1934 CZ ARG A 157 8.490 -13.808 -3.383 1.00 32.11 C ATOM 1935 NH1 ARG A 157 7.546 -14.680 -3.225 1.00 13.45 N ATOM 1936 NH2 ARG A 157 9.690 -14.223 -3.630 1.00 63.42 N ATOM 0 H ARG A 157 7.201 -9.702 -2.231 1.00 53.14 H new ATOM 0 HA ARG A 157 4.721 -9.114 -0.830 1.00 62.34 H new ATOM 0 HB2 ARG A 157 4.607 -11.626 -0.621 1.00 12.32 H new ATOM 0 HB3 ARG A 157 4.665 -11.034 -2.270 1.00 12.32 H new ATOM 0 HG2 ARG A 157 7.274 -11.776 -0.979 1.00 50.13 H new ATOM 0 HG3 ARG A 157 6.187 -13.080 -1.413 1.00 50.13 H new ATOM 0 HD2 ARG A 157 6.193 -12.459 -3.732 1.00 75.50 H new ATOM 0 HD3 ARG A 157 6.924 -10.902 -3.395 1.00 75.50 H new ATOM 0 HE ARG A 157 9.028 -11.885 -3.382 1.00 3.32 H new ATOM 0 HH11 ARG A 157 6.593 -14.371 -3.032 1.00 13.45 H new ATOM 0 HH12 ARG A 157 7.755 -15.676 -3.294 1.00 13.45 H new ATOM 0 HH21 ARG A 157 10.446 -13.550 -3.759 1.00 63.42 H new ATOM 0 HH22 ARG A 157 9.880 -15.223 -3.695 1.00 63.42 H new ATOM 1950 N VAL A 158 5.560 -9.062 1.505 1.00 44.42 N ATOM 1951 CA VAL A 158 5.913 -9.133 2.929 1.00 43.50 C ATOM 1952 C VAL A 158 5.133 -10.244 3.655 1.00 15.23 C ATOM 1953 O VAL A 158 5.472 -10.625 4.776 1.00 73.43 O ATOM 1954 CB VAL A 158 5.670 -7.777 3.634 1.00 60.13 C ATOM 1955 CG1 VAL A 158 6.600 -6.709 3.066 1.00 64.12 C ATOM 1956 CG2 VAL A 158 4.208 -7.350 3.503 1.00 24.44 C ATOM 0 H VAL A 158 4.835 -8.379 1.285 1.00 44.42 H new ATOM 0 HA VAL A 158 6.975 -9.371 2.979 1.00 43.50 H new ATOM 0 HB VAL A 158 5.890 -7.897 4.695 1.00 60.13 H new ATOM 0 HG11 VAL A 158 6.417 -5.761 3.572 1.00 64.12 H new ATOM 0 HG12 VAL A 158 7.636 -7.009 3.221 1.00 64.12 H new ATOM 0 HG13 VAL A 158 6.412 -6.593 1.999 1.00 64.12 H new ATOM 0 HG21 VAL A 158 4.062 -6.394 4.006 1.00 24.44 H new ATOM 0 HG22 VAL A 158 3.952 -7.248 2.448 1.00 24.44 H new ATOM 0 HG23 VAL A 158 3.567 -8.103 3.961 1.00 24.44 H new ATOM 1966 N LEU A 159 4.088 -10.758 3.005 1.00 31.22 N ATOM 1967 CA LEU A 159 3.288 -11.861 3.555 1.00 64.05 C ATOM 1968 C LEU A 159 3.909 -13.222 3.212 1.00 24.04 C ATOM 1969 O LEU A 159 4.249 -13.488 2.056 1.00 31.12 O ATOM 1970 CB LEU A 159 1.852 -11.801 3.005 1.00 73.32 C ATOM 1971 CG LEU A 159 1.042 -10.557 3.404 1.00 65.14 C ATOM 1972 CD1 LEU A 159 -0.322 -10.557 2.717 1.00 4.10 C ATOM 1973 CD2 LEU A 159 0.881 -10.482 4.922 1.00 65.14 C ATOM 0 H LEU A 159 3.772 -10.429 2.093 1.00 31.22 H new ATOM 0 HA LEU A 159 3.270 -11.751 4.639 1.00 64.05 H new ATOM 0 HB2 LEU A 159 1.896 -11.851 1.917 1.00 73.32 H new ATOM 0 HB3 LEU A 159 1.315 -12.687 3.343 1.00 73.32 H new ATOM 0 HG LEU A 159 1.590 -9.674 3.074 1.00 65.14 H new ATOM 0 HD11 LEU A 159 -0.879 -9.668 3.013 1.00 4.10 H new ATOM 0 HD12 LEU A 159 -0.185 -10.556 1.636 1.00 4.10 H new ATOM 0 HD13 LEU A 159 -0.877 -11.448 3.011 1.00 4.10 H new ATOM 0 HD21 LEU A 159 0.305 -9.594 5.183 1.00 65.14 H new ATOM 0 HD22 LEU A 159 0.359 -11.371 5.277 1.00 65.14 H new ATOM 0 HD23 LEU A 159 1.864 -10.427 5.390 1.00 65.14 H new