USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 35 THR OG1 : rot -176:sc= -0.432 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 90:sc= -1.62 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 159:sc= 0.339 (180deg=-0.831!) USER MOD Set 3.1: A 28 MET CE :methyl -145:sc= -0.0544 (180deg=0) USER MOD Set 3.2: A 30 THR OG1 : rot 140:sc=-0.000909 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.641 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.615 (180deg=-0.378) USER MOD Single : A 5 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-4.5!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.6) USER MOD Single : A 13 ASN : amide:sc= -3.94! K(o=-3.9!,f=-3.2) USER MOD Single : A 16 ASN : amide:sc=-0.00257 K(o=-0.0026,f=-1.4) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 88:sc= 0.0589 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -47:sc= 0.772 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.48) USER MOD Single : A 62 SER OG : rot 30:sc= 0.913 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.413 K(o=-0.41,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.613 -3.440 -1.691 1.00 25.11 N ATOM 2 CA MET A 1 -1.580 -4.054 -2.518 1.00 2.14 C ATOM 3 C MET A 1 -0.320 -4.326 -1.701 1.00 73.13 C ATOM 4 O MET A 1 -0.211 -3.902 -0.550 1.00 21.31 O ATOM 5 CB MET A 1 -1.246 -3.152 -3.707 1.00 44.22 C ATOM 6 CG MET A 1 -2.224 -3.283 -4.863 1.00 12.20 C ATOM 7 SD MET A 1 -3.756 -2.373 -4.583 1.00 22.42 S ATOM 8 CE MET A 1 -4.873 -3.711 -4.169 1.00 3.02 C ATOM 0 H1 MET A 1 -3.209 -2.824 -2.280 1.00 25.11 H new ATOM 0 H2 MET A 1 -3.201 -4.183 -1.262 1.00 25.11 H new ATOM 0 H3 MET A 1 -2.167 -2.875 -0.940 1.00 25.11 H new ATOM 0 HA MET A 1 -1.964 -5.005 -2.889 1.00 2.14 H new ATOM 0 HB2 MET A 1 -1.229 -2.115 -3.372 1.00 44.22 H new ATOM 0 HB3 MET A 1 -0.243 -3.389 -4.062 1.00 44.22 H new ATOM 0 HG2 MET A 1 -1.752 -2.920 -5.776 1.00 12.20 H new ATOM 0 HG3 MET A 1 -2.455 -4.336 -5.021 1.00 12.20 H new ATOM 0 HE1 MET A 1 -5.631 -3.350 -3.473 1.00 3.02 H new ATOM 0 HE2 MET A 1 -5.356 -4.075 -5.076 1.00 3.02 H new ATOM 0 HE3 MET A 1 -4.312 -4.523 -3.706 1.00 3.02 H new ATOM 18 N LEU A 2 0.628 -5.035 -2.304 1.00 32.25 N ATOM 19 CA LEU A 2 1.880 -5.364 -1.632 1.00 24.21 C ATOM 20 C LEU A 2 2.980 -4.380 -2.018 1.00 30.12 C ATOM 21 O LEU A 2 3.005 -3.870 -3.138 1.00 22.00 O ATOM 22 CB LEU A 2 2.310 -6.790 -1.982 1.00 3.12 C ATOM 23 CG LEU A 2 3.575 -7.299 -1.289 1.00 10.30 C ATOM 24 CD1 LEU A 2 3.393 -7.298 0.221 1.00 64.31 C ATOM 25 CD2 LEU A 2 3.931 -8.693 -1.785 1.00 13.31 C ATOM 0 H LEU A 2 0.554 -5.393 -3.256 1.00 32.25 H new ATOM 0 HA LEU A 2 1.716 -5.294 -0.557 1.00 24.21 H new ATOM 0 HB2 LEU A 2 1.490 -7.465 -1.739 1.00 3.12 H new ATOM 0 HB3 LEU A 2 2.462 -6.848 -3.060 1.00 3.12 H new ATOM 0 HG LEU A 2 4.397 -6.627 -1.536 1.00 10.30 H new ATOM 0 HD11 LEU A 2 4.303 -7.663 0.697 1.00 64.31 H new ATOM 0 HD12 LEU A 2 3.187 -6.283 0.562 1.00 64.31 H new ATOM 0 HD13 LEU A 2 2.559 -7.947 0.487 1.00 64.31 H new ATOM 0 HD21 LEU A 2 4.834 -9.039 -1.281 1.00 13.31 H new ATOM 0 HD22 LEU A 2 3.110 -9.377 -1.569 1.00 13.31 H new ATOM 0 HD23 LEU A 2 4.105 -8.663 -2.861 1.00 13.31 H new ATOM 37 N ASP A 3 3.888 -4.120 -1.084 1.00 10.33 N ATOM 38 CA ASP A 3 4.993 -3.199 -1.327 1.00 33.22 C ATOM 39 C ASP A 3 6.320 -3.948 -1.393 1.00 32.54 C ATOM 40 O ASP A 3 6.598 -4.814 -0.562 1.00 60.45 O ATOM 41 CB ASP A 3 5.048 -2.134 -0.230 1.00 72.24 C ATOM 42 CG ASP A 3 4.246 -0.897 -0.584 1.00 62.02 C ATOM 43 OD1 ASP A 3 4.562 -0.260 -1.610 1.00 53.45 O ATOM 44 OD2 ASP A 3 3.304 -0.566 0.166 1.00 51.34 O ATOM 0 H ASP A 3 3.881 -4.534 -0.152 1.00 10.33 H new ATOM 0 HA ASP A 3 4.823 -2.712 -2.287 1.00 33.22 H new ATOM 0 HB2 ASP A 3 4.669 -2.555 0.701 1.00 72.24 H new ATOM 0 HB3 ASP A 3 6.086 -1.852 -0.053 1.00 72.24 H new ATOM 49 N CYS A 4 7.136 -3.611 -2.386 1.00 14.44 N ATOM 50 CA CYS A 4 8.433 -4.252 -2.562 1.00 1.51 C ATOM 51 C CYS A 4 9.384 -3.349 -3.342 1.00 4.43 C ATOM 52 O CYS A 4 8.983 -2.306 -3.860 1.00 62.25 O ATOM 53 CB CYS A 4 8.271 -5.588 -3.288 1.00 75.14 C ATOM 54 SG CYS A 4 8.022 -7.012 -2.179 1.00 55.25 S ATOM 0 H CYS A 4 6.921 -2.897 -3.082 1.00 14.44 H new ATOM 0 HA CYS A 4 8.858 -4.432 -1.575 1.00 1.51 H new ATOM 0 HB2 CYS A 4 7.423 -5.519 -3.969 1.00 75.14 H new ATOM 0 HB3 CYS A 4 9.156 -5.767 -3.899 1.00 75.14 H new ATOM 59 N HIS A 5 10.647 -3.756 -3.420 1.00 62.24 N ATOM 60 CA HIS A 5 11.656 -2.985 -4.138 1.00 3.14 C ATOM 61 C HIS A 5 11.622 -3.301 -5.630 1.00 4.21 C ATOM 62 O HIS A 5 12.003 -4.393 -6.053 1.00 13.34 O ATOM 63 CB HIS A 5 13.047 -3.277 -3.574 1.00 44.42 C ATOM 64 CG HIS A 5 13.282 -2.682 -2.220 1.00 33.13 C ATOM 65 ND1 HIS A 5 13.679 -1.375 -2.030 1.00 35.22 N ATOM 66 CD2 HIS A 5 13.171 -3.223 -0.984 1.00 63.50 C ATOM 67 CE1 HIS A 5 13.804 -1.139 -0.736 1.00 53.11 C ATOM 68 NE2 HIS A 5 13.501 -2.244 -0.079 1.00 62.35 N ATOM 0 H HIS A 5 10.996 -4.615 -2.995 1.00 62.24 H new ATOM 0 HA HIS A 5 11.432 -1.927 -4.004 1.00 3.14 H new ATOM 0 HB2 HIS A 5 13.187 -4.356 -3.517 1.00 44.42 H new ATOM 0 HB3 HIS A 5 13.798 -2.894 -4.265 1.00 44.42 H new ATOM 0 HD2 HIS A 5 12.877 -4.236 -0.753 1.00 63.50 H new ATOM 0 HE1 HIS A 5 14.103 -0.202 -0.291 1.00 53.11 H new ATOM 0 HE2 HIS A 5 13.511 -2.353 0.935 1.00 62.35 H new ATOM 76 N VAL A 6 11.164 -2.338 -6.424 1.00 33.15 N ATOM 77 CA VAL A 6 11.080 -2.513 -7.869 1.00 23.45 C ATOM 78 C VAL A 6 12.127 -1.668 -8.586 1.00 33.11 C ATOM 79 O VAL A 6 11.971 -0.455 -8.726 1.00 53.34 O ATOM 80 CB VAL A 6 9.683 -2.141 -8.399 1.00 43.24 C ATOM 81 CG1 VAL A 6 9.635 -2.273 -9.914 1.00 12.30 C ATOM 82 CG2 VAL A 6 8.617 -3.007 -7.746 1.00 60.12 C ATOM 0 H VAL A 6 10.845 -1.428 -6.090 1.00 33.15 H new ATOM 0 HA VAL A 6 11.268 -3.567 -8.072 1.00 23.45 H new ATOM 0 HB VAL A 6 9.481 -1.101 -8.142 1.00 43.24 H new ATOM 0 HG11 VAL A 6 8.640 -2.006 -10.271 1.00 12.30 H new ATOM 0 HG12 VAL A 6 10.372 -1.606 -10.361 1.00 12.30 H new ATOM 0 HG13 VAL A 6 9.858 -3.302 -10.197 1.00 12.30 H new ATOM 0 HG21 VAL A 6 7.636 -2.730 -8.133 1.00 60.12 H new ATOM 0 HG22 VAL A 6 8.813 -4.056 -7.970 1.00 60.12 H new ATOM 0 HG23 VAL A 6 8.637 -2.857 -6.667 1.00 60.12 H new ATOM 92 N CYS A 7 13.194 -2.317 -9.039 1.00 40.12 N ATOM 93 CA CYS A 7 14.268 -1.626 -9.743 1.00 32.01 C ATOM 94 C CYS A 7 15.246 -2.624 -10.357 1.00 12.42 C ATOM 95 O CYS A 7 15.057 -3.836 -10.256 1.00 4.51 O ATOM 96 CB CYS A 7 15.010 -0.688 -8.789 1.00 23.20 C ATOM 97 SG CYS A 7 15.683 -1.512 -7.310 1.00 64.33 S ATOM 0 H CYS A 7 13.338 -3.321 -8.931 1.00 40.12 H new ATOM 0 HA CYS A 7 13.824 -1.039 -10.547 1.00 32.01 H new ATOM 0 HB2 CYS A 7 15.827 -0.210 -9.329 1.00 23.20 H new ATOM 0 HB3 CYS A 7 14.331 0.104 -8.473 1.00 23.20 H new ATOM 102 N ALA A 8 16.291 -2.104 -10.993 1.00 33.30 N ATOM 103 CA ALA A 8 17.299 -2.948 -11.621 1.00 65.41 C ATOM 104 C ALA A 8 18.647 -2.237 -11.686 1.00 71.55 C ATOM 105 O ALA A 8 18.725 -1.067 -12.062 1.00 31.52 O ATOM 106 CB ALA A 8 16.850 -3.360 -13.015 1.00 74.20 C ATOM 0 H ALA A 8 16.461 -1.103 -11.087 1.00 33.30 H new ATOM 0 HA ALA A 8 17.418 -3.843 -11.011 1.00 65.41 H new ATOM 0 HB1 ALA A 8 17.613 -3.990 -13.472 1.00 74.20 H new ATOM 0 HB2 ALA A 8 15.914 -3.915 -12.947 1.00 74.20 H new ATOM 0 HB3 ALA A 8 16.700 -2.470 -13.627 1.00 74.20 H new ATOM 112 N TYR A 9 19.705 -2.951 -11.318 1.00 42.14 N ATOM 113 CA TYR A 9 21.050 -2.387 -11.332 1.00 53.34 C ATOM 114 C TYR A 9 22.088 -3.461 -11.643 1.00 11.42 C ATOM 115 O TYR A 9 21.895 -4.635 -11.332 1.00 15.14 O ATOM 116 CB TYR A 9 21.364 -1.731 -9.987 1.00 23.23 C ATOM 117 CG TYR A 9 22.710 -1.043 -9.948 1.00 40.14 C ATOM 118 CD1 TYR A 9 22.982 0.040 -10.775 1.00 51.32 C ATOM 119 CD2 TYR A 9 23.710 -1.476 -9.086 1.00 71.04 C ATOM 120 CE1 TYR A 9 24.210 0.672 -10.744 1.00 41.03 C ATOM 121 CE2 TYR A 9 24.940 -0.850 -9.048 1.00 4.53 C ATOM 122 CZ TYR A 9 25.186 0.224 -9.879 1.00 32.35 C ATOM 123 OH TYR A 9 26.411 0.850 -9.844 1.00 31.40 O ATOM 0 H TYR A 9 19.658 -3.921 -11.006 1.00 42.14 H new ATOM 0 HA TYR A 9 21.092 -1.631 -12.116 1.00 53.34 H new ATOM 0 HB2 TYR A 9 20.586 -1.003 -9.757 1.00 23.23 H new ATOM 0 HB3 TYR A 9 21.331 -2.490 -9.205 1.00 23.23 H new ATOM 0 HD1 TYR A 9 22.220 0.394 -11.454 1.00 51.32 H new ATOM 0 HD2 TYR A 9 23.522 -2.317 -8.435 1.00 71.04 H new ATOM 0 HE1 TYR A 9 24.405 1.512 -11.394 1.00 41.03 H new ATOM 0 HE2 TYR A 9 25.706 -1.199 -8.371 1.00 4.53 H new ATOM 0 HH TYR A 9 26.983 0.412 -9.180 1.00 31.40 H new ATOM 133 N ASN A 10 23.191 -3.047 -12.258 1.00 60.54 N ATOM 134 CA ASN A 10 24.261 -3.973 -12.612 1.00 4.03 C ATOM 135 C ASN A 10 25.350 -3.979 -11.543 1.00 43.32 C ATOM 136 O ASN A 10 26.492 -3.601 -11.803 1.00 71.03 O ATOM 137 CB ASN A 10 24.863 -3.596 -13.967 1.00 61.10 C ATOM 138 CG ASN A 10 23.849 -3.674 -15.092 1.00 32.13 C ATOM 139 OD1 ASN A 10 22.799 -4.303 -14.954 1.00 3.35 O ATOM 140 ND2 ASN A 10 24.159 -3.034 -16.213 1.00 73.02 N ATOM 0 H ASN A 10 23.367 -2.078 -12.521 1.00 60.54 H new ATOM 0 HA ASN A 10 23.835 -4.974 -12.678 1.00 4.03 H new ATOM 0 HB2 ASN A 10 25.266 -2.584 -13.914 1.00 61.10 H new ATOM 0 HB3 ASN A 10 25.698 -4.260 -14.188 1.00 61.10 H new ATOM 0 HD21 ASN A 10 23.516 -3.051 -17.004 1.00 73.02 H new ATOM 0 HD22 ASN A 10 25.040 -2.525 -16.283 1.00 73.02 H new ATOM 147 N GLY A 11 24.988 -4.411 -10.339 1.00 2.21 N ATOM 148 CA GLY A 11 25.945 -4.458 -9.249 1.00 63.31 C ATOM 149 C GLY A 11 25.482 -5.343 -8.109 1.00 22.40 C ATOM 150 O GLY A 11 25.003 -6.455 -8.332 1.00 71.15 O ATOM 0 H GLY A 11 24.049 -4.729 -10.099 1.00 2.21 H new ATOM 0 HA2 GLY A 11 26.901 -4.824 -9.624 1.00 63.31 H new ATOM 0 HA3 GLY A 11 26.115 -3.448 -8.875 1.00 63.31 H new ATOM 154 N ASP A 12 25.627 -4.851 -6.884 1.00 12.03 N ATOM 155 CA ASP A 12 25.220 -5.605 -5.704 1.00 23.34 C ATOM 156 C ASP A 12 23.706 -5.788 -5.670 1.00 41.15 C ATOM 157 O ASP A 12 23.191 -6.847 -6.025 1.00 21.44 O ATOM 158 CB ASP A 12 25.689 -4.896 -4.432 1.00 52.12 C ATOM 159 CG ASP A 12 25.165 -5.558 -3.173 1.00 53.02 C ATOM 160 OD1 ASP A 12 25.500 -6.738 -2.939 1.00 62.23 O ATOM 161 OD2 ASP A 12 24.420 -4.896 -2.421 1.00 53.22 O ATOM 0 H ASP A 12 26.023 -3.933 -6.682 1.00 12.03 H new ATOM 0 HA ASP A 12 25.685 -6.589 -5.755 1.00 23.34 H new ATOM 0 HB2 ASP A 12 26.779 -4.885 -4.407 1.00 52.12 H new ATOM 0 HB3 ASP A 12 25.360 -3.857 -4.456 1.00 52.12 H new ATOM 166 N ASN A 13 22.999 -4.747 -5.241 1.00 71.55 N ATOM 167 CA ASN A 13 21.544 -4.794 -5.160 1.00 55.23 C ATOM 168 C ASN A 13 20.956 -3.386 -5.118 1.00 20.44 C ATOM 169 O ASN A 13 21.320 -2.575 -4.266 1.00 24.21 O ATOM 170 CB ASN A 13 21.106 -5.579 -3.922 1.00 73.14 C ATOM 171 CG ASN A 13 21.248 -7.077 -4.108 1.00 21.41 C ATOM 172 OD1 ASN A 13 22.275 -7.662 -3.762 1.00 71.14 O ATOM 173 ND2 ASN A 13 20.215 -7.706 -4.656 1.00 60.33 N ATOM 0 H ASN A 13 23.410 -3.862 -4.945 1.00 71.55 H new ATOM 0 HA ASN A 13 21.171 -5.298 -6.052 1.00 55.23 H new ATOM 0 HB2 ASN A 13 21.702 -5.264 -3.066 1.00 73.14 H new ATOM 0 HB3 ASN A 13 20.067 -5.341 -3.693 1.00 73.14 H new ATOM 0 HD21 ASN A 13 20.253 -8.714 -4.805 1.00 60.33 H new ATOM 0 HD22 ASN A 13 19.384 -7.181 -4.928 1.00 60.33 H new ATOM 180 N CYS A 14 20.044 -3.104 -6.042 1.00 2.51 N ATOM 181 CA CYS A 14 19.405 -1.795 -6.111 1.00 61.11 C ATOM 182 C CYS A 14 18.335 -1.655 -5.032 1.00 43.50 C ATOM 183 O CYS A 14 17.835 -2.649 -4.505 1.00 42.41 O ATOM 184 CB CYS A 14 18.783 -1.580 -7.492 1.00 62.44 C ATOM 185 SG CYS A 14 17.280 -2.564 -7.792 1.00 35.32 S ATOM 0 H CYS A 14 19.731 -3.764 -6.754 1.00 2.51 H new ATOM 0 HA CYS A 14 20.169 -1.036 -5.942 1.00 61.11 H new ATOM 0 HB2 CYS A 14 18.542 -0.523 -7.610 1.00 62.44 H new ATOM 0 HB3 CYS A 14 19.523 -1.825 -8.254 1.00 62.44 H new ATOM 190 N PHE A 15 17.989 -0.413 -4.708 1.00 72.14 N ATOM 191 CA PHE A 15 16.979 -0.142 -3.692 1.00 1.51 C ATOM 192 C PHE A 15 15.945 0.857 -4.205 1.00 63.42 C ATOM 193 O PHE A 15 16.275 1.998 -4.525 1.00 74.12 O ATOM 194 CB PHE A 15 17.637 0.397 -2.420 1.00 43.31 C ATOM 195 CG PHE A 15 18.257 -0.672 -1.567 1.00 2.13 C ATOM 196 CD1 PHE A 15 17.477 -1.435 -0.713 1.00 11.42 C ATOM 197 CD2 PHE A 15 19.621 -0.914 -1.618 1.00 74.01 C ATOM 198 CE1 PHE A 15 18.044 -2.420 0.074 1.00 42.43 C ATOM 199 CE2 PHE A 15 20.193 -1.898 -0.834 1.00 43.14 C ATOM 200 CZ PHE A 15 19.404 -2.651 0.013 1.00 4.24 C ATOM 0 H PHE A 15 18.393 0.421 -5.134 1.00 72.14 H new ATOM 0 HA PHE A 15 16.471 -1.078 -3.462 1.00 1.51 H new ATOM 0 HB2 PHE A 15 18.404 1.121 -2.696 1.00 43.31 H new ATOM 0 HB3 PHE A 15 16.890 0.932 -1.833 1.00 43.31 H new ATOM 0 HD1 PHE A 15 16.413 -1.258 -0.662 1.00 11.42 H new ATOM 0 HD2 PHE A 15 20.243 -0.327 -2.277 1.00 74.01 H new ATOM 0 HE1 PHE A 15 17.424 -3.008 0.735 1.00 42.43 H new ATOM 0 HE2 PHE A 15 21.257 -2.078 -0.884 1.00 43.14 H new ATOM 0 HZ PHE A 15 19.850 -3.420 0.627 1.00 4.24 H new ATOM 210 N ASN A 16 14.694 0.417 -4.281 1.00 75.51 N ATOM 211 CA ASN A 16 13.611 1.270 -4.757 1.00 12.15 C ATOM 212 C ASN A 16 12.253 0.693 -4.369 1.00 32.10 C ATOM 213 O ASN A 16 11.610 -0.020 -5.140 1.00 43.14 O ATOM 214 CB ASN A 16 13.693 1.435 -6.275 1.00 72.14 C ATOM 215 CG ASN A 16 13.028 2.711 -6.755 1.00 63.13 C ATOM 216 OD1 ASN A 16 12.126 3.237 -6.104 1.00 30.13 O ATOM 217 ND2 ASN A 16 13.473 3.215 -7.901 1.00 31.43 N ATOM 0 H ASN A 16 14.405 -0.525 -4.019 1.00 75.51 H new ATOM 0 HA ASN A 16 13.718 2.247 -4.286 1.00 12.15 H new ATOM 0 HB2 ASN A 16 14.739 1.436 -6.582 1.00 72.14 H new ATOM 0 HB3 ASN A 16 13.221 0.579 -6.757 1.00 72.14 H new ATOM 0 HD21 ASN A 16 13.064 4.072 -8.274 1.00 31.43 H new ATOM 0 HD22 ASN A 16 14.223 2.745 -8.408 1.00 31.43 H new ATOM 224 N PRO A 17 11.804 1.007 -3.145 1.00 13.41 N ATOM 225 CA PRO A 17 10.517 0.532 -2.627 1.00 64.41 C ATOM 226 C PRO A 17 9.332 1.179 -3.335 1.00 43.02 C ATOM 227 O PRO A 17 9.112 2.384 -3.220 1.00 52.34 O ATOM 228 CB PRO A 17 10.552 0.947 -1.154 1.00 64.02 C ATOM 229 CG PRO A 17 11.483 2.109 -1.110 1.00 44.14 C ATOM 230 CD PRO A 17 12.517 1.852 -2.172 1.00 52.21 C ATOM 0 HA PRO A 17 10.387 -0.540 -2.779 1.00 64.41 H new ATOM 0 HB2 PRO A 17 9.560 1.221 -0.796 1.00 64.02 H new ATOM 0 HB3 PRO A 17 10.905 0.133 -0.521 1.00 64.02 H new ATOM 0 HG2 PRO A 17 10.952 3.042 -1.300 1.00 44.14 H new ATOM 0 HG3 PRO A 17 11.947 2.200 -0.128 1.00 44.14 H new ATOM 0 HD2 PRO A 17 12.866 2.780 -2.625 1.00 52.21 H new ATOM 0 HD3 PRO A 17 13.393 1.346 -1.766 1.00 52.21 H new ATOM 238 N MET A 18 8.572 0.371 -4.067 1.00 23.43 N ATOM 239 CA MET A 18 7.408 0.866 -4.792 1.00 20.20 C ATOM 240 C MET A 18 6.227 -0.087 -4.640 1.00 31.41 C ATOM 241 O MET A 18 6.399 -1.306 -4.622 1.00 63.23 O ATOM 242 CB MET A 18 7.743 1.049 -6.273 1.00 63.24 C ATOM 243 CG MET A 18 6.523 1.026 -7.180 1.00 3.01 C ATOM 244 SD MET A 18 6.750 2.009 -8.674 1.00 51.04 S ATOM 245 CE MET A 18 5.507 3.277 -8.438 1.00 30.34 C ATOM 0 H MET A 18 8.741 -0.629 -4.174 1.00 23.43 H new ATOM 0 HA MET A 18 7.130 1.831 -4.368 1.00 20.20 H new ATOM 0 HB2 MET A 18 8.265 1.997 -6.404 1.00 63.24 H new ATOM 0 HB3 MET A 18 8.430 0.261 -6.582 1.00 63.24 H new ATOM 0 HG2 MET A 18 6.301 -0.004 -7.458 1.00 3.01 H new ATOM 0 HG3 MET A 18 5.659 1.401 -6.631 1.00 3.01 H new ATOM 0 HE1 MET A 18 5.524 3.965 -9.283 1.00 30.34 H new ATOM 0 HE2 MET A 18 4.523 2.813 -8.367 1.00 30.34 H new ATOM 0 HE3 MET A 18 5.717 3.826 -7.520 1.00 30.34 H new ATOM 255 N ARG A 19 5.028 0.476 -4.530 1.00 61.31 N ATOM 256 CA ARG A 19 3.819 -0.325 -4.378 1.00 1.30 C ATOM 257 C ARG A 19 3.395 -0.929 -5.714 1.00 3.34 C ATOM 258 O ARG A 19 3.410 -0.255 -6.744 1.00 71.24 O ATOM 259 CB ARG A 19 2.684 0.530 -3.810 1.00 25.45 C ATOM 260 CG ARG A 19 1.362 -0.211 -3.697 1.00 21.35 C ATOM 261 CD ARG A 19 1.202 -0.859 -2.330 1.00 74.22 C ATOM 262 NE ARG A 19 0.522 0.021 -1.384 1.00 33.25 N ATOM 263 CZ ARG A 19 0.298 -0.298 -0.114 1.00 23.34 C ATOM 264 NH1 ARG A 19 0.699 -1.470 0.359 1.00 24.24 N ATOM 265 NH2 ARG A 19 -0.327 0.556 0.686 1.00 20.03 N ATOM 0 H ARG A 19 4.868 1.483 -4.543 1.00 61.31 H new ATOM 0 HA ARG A 19 4.036 -1.137 -3.684 1.00 1.30 H new ATOM 0 HB2 ARG A 19 2.973 0.893 -2.824 1.00 25.45 H new ATOM 0 HB3 ARG A 19 2.547 1.405 -4.445 1.00 25.45 H new ATOM 0 HG2 ARG A 19 0.539 0.482 -3.871 1.00 21.35 H new ATOM 0 HG3 ARG A 19 1.304 -0.975 -4.472 1.00 21.35 H new ATOM 0 HD2 ARG A 19 0.638 -1.786 -2.432 1.00 74.22 H new ATOM 0 HD3 ARG A 19 2.184 -1.124 -1.937 1.00 74.22 H new ATOM 0 HE ARG A 19 0.201 0.930 -1.716 1.00 33.25 H new ATOM 0 HH11 ARG A 19 1.181 -2.129 -0.253 1.00 24.24 H new ATOM 0 HH12 ARG A 19 0.526 -1.713 1.334 1.00 24.24 H new ATOM 0 HH21 ARG A 19 -0.636 1.459 0.326 1.00 20.03 H new ATOM 0 HH22 ARG A 19 -0.498 0.310 1.661 1.00 20.03 H new ATOM 279 N CYS A 20 3.019 -2.203 -5.688 1.00 13.21 N ATOM 280 CA CYS A 20 2.592 -2.899 -6.896 1.00 13.04 C ATOM 281 C CYS A 20 1.176 -2.487 -7.289 1.00 31.41 C ATOM 282 O CYS A 20 0.385 -2.027 -6.465 1.00 72.52 O ATOM 283 CB CYS A 20 2.655 -4.413 -6.686 1.00 33.23 C ATOM 284 SG CYS A 20 4.148 -4.981 -5.810 1.00 50.03 S ATOM 0 H CYS A 20 3.001 -2.775 -4.843 1.00 13.21 H new ATOM 0 HA CYS A 20 3.269 -2.622 -7.704 1.00 13.04 H new ATOM 0 HB2 CYS A 20 1.775 -4.728 -6.125 1.00 33.23 H new ATOM 0 HB3 CYS A 20 2.607 -4.906 -7.657 1.00 33.23 H new ATOM 289 N PRO A 21 0.847 -2.656 -8.578 1.00 64.33 N ATOM 290 CA PRO A 21 -0.474 -2.310 -9.111 1.00 3.34 C ATOM 291 C PRO A 21 -1.566 -3.248 -8.608 1.00 44.01 C ATOM 292 O PRO A 21 -1.281 -4.259 -7.966 1.00 15.41 O ATOM 293 CB PRO A 21 -0.296 -2.458 -10.624 1.00 14.41 C ATOM 294 CG PRO A 21 0.819 -3.433 -10.781 1.00 51.41 C ATOM 295 CD PRO A 21 1.740 -3.199 -9.616 1.00 23.32 C ATOM 0 HA PRO A 21 -0.791 -1.314 -8.801 1.00 3.34 H new ATOM 0 HB2 PRO A 21 -1.209 -2.821 -11.096 1.00 14.41 H new ATOM 0 HB3 PRO A 21 -0.055 -1.502 -11.090 1.00 14.41 H new ATOM 0 HG2 PRO A 21 0.445 -4.457 -10.783 1.00 51.41 H new ATOM 0 HG3 PRO A 21 1.340 -3.282 -11.727 1.00 51.41 H new ATOM 0 HD2 PRO A 21 2.219 -4.122 -9.291 1.00 23.32 H new ATOM 0 HD3 PRO A 21 2.536 -2.498 -9.868 1.00 23.32 H new ATOM 303 N ALA A 22 -2.815 -2.907 -8.905 1.00 13.10 N ATOM 304 CA ALA A 22 -3.950 -3.721 -8.485 1.00 45.42 C ATOM 305 C ALA A 22 -4.103 -4.949 -9.376 1.00 13.05 C ATOM 306 O ALA A 22 -5.150 -5.155 -9.989 1.00 31.32 O ATOM 307 CB ALA A 22 -5.226 -2.893 -8.499 1.00 34.22 C ATOM 0 H ALA A 22 -3.067 -2.073 -9.435 1.00 13.10 H new ATOM 0 HA ALA A 22 -3.764 -4.064 -7.467 1.00 45.42 H new ATOM 0 HB1 ALA A 22 -6.065 -3.513 -8.183 1.00 34.22 H new ATOM 0 HB2 ALA A 22 -5.120 -2.050 -7.816 1.00 34.22 H new ATOM 0 HB3 ALA A 22 -5.408 -2.522 -9.508 1.00 34.22 H new ATOM 313 N MET A 23 -3.053 -5.761 -9.442 1.00 74.10 N ATOM 314 CA MET A 23 -3.073 -6.970 -10.258 1.00 11.33 C ATOM 315 C MET A 23 -2.035 -7.974 -9.767 1.00 44.42 C ATOM 316 O MET A 23 -2.262 -9.183 -9.801 1.00 24.14 O ATOM 317 CB MET A 23 -2.813 -6.625 -11.725 1.00 44.42 C ATOM 318 CG MET A 23 -1.374 -6.223 -12.009 1.00 71.30 C ATOM 319 SD MET A 23 -1.215 -5.214 -13.495 1.00 1.25 S ATOM 320 CE MET A 23 -0.042 -6.184 -14.439 1.00 2.33 C ATOM 0 H MET A 23 -2.178 -5.604 -8.941 1.00 74.10 H new ATOM 0 HA MET A 23 -4.061 -7.423 -10.169 1.00 11.33 H new ATOM 0 HB2 MET A 23 -3.070 -7.485 -12.343 1.00 44.42 H new ATOM 0 HB3 MET A 23 -3.474 -5.811 -12.021 1.00 44.42 H new ATOM 0 HG2 MET A 23 -0.980 -5.671 -11.156 1.00 71.30 H new ATOM 0 HG3 MET A 23 -0.765 -7.120 -12.117 1.00 71.30 H new ATOM 0 HE1 MET A 23 0.159 -5.688 -15.389 1.00 2.33 H new ATOM 0 HE2 MET A 23 0.887 -6.280 -13.876 1.00 2.33 H new ATOM 0 HE3 MET A 23 -0.457 -7.174 -14.627 1.00 2.33 H new ATOM 330 N VAL A 24 -0.894 -7.464 -9.312 1.00 72.23 N ATOM 331 CA VAL A 24 0.179 -8.316 -8.814 1.00 71.42 C ATOM 332 C VAL A 24 0.084 -8.492 -7.303 1.00 22.52 C ATOM 333 O VAL A 24 -0.480 -7.651 -6.604 1.00 30.42 O ATOM 334 CB VAL A 24 1.563 -7.740 -9.167 1.00 70.11 C ATOM 335 CG1 VAL A 24 2.653 -8.766 -8.897 1.00 3.30 C ATOM 336 CG2 VAL A 24 1.596 -7.285 -10.618 1.00 53.42 C ATOM 0 H VAL A 24 -0.690 -6.465 -9.278 1.00 72.23 H new ATOM 0 HA VAL A 24 0.064 -9.286 -9.298 1.00 71.42 H new ATOM 0 HB VAL A 24 1.749 -6.873 -8.534 1.00 70.11 H new ATOM 0 HG11 VAL A 24 3.624 -8.341 -9.152 1.00 3.30 H new ATOM 0 HG12 VAL A 24 2.642 -9.039 -7.842 1.00 3.30 H new ATOM 0 HG13 VAL A 24 2.475 -9.654 -9.503 1.00 3.30 H new ATOM 0 HG21 VAL A 24 2.581 -6.881 -10.850 1.00 53.42 H new ATOM 0 HG22 VAL A 24 1.389 -8.133 -11.270 1.00 53.42 H new ATOM 0 HG23 VAL A 24 0.841 -6.514 -10.775 1.00 53.42 H new ATOM 346 N ALA A 25 0.641 -9.592 -6.805 1.00 11.33 N ATOM 347 CA ALA A 25 0.622 -9.877 -5.375 1.00 73.35 C ATOM 348 C ALA A 25 1.830 -10.713 -4.966 1.00 73.24 C ATOM 349 O ALA A 25 1.768 -11.482 -4.007 1.00 23.50 O ATOM 350 CB ALA A 25 -0.668 -10.590 -4.997 1.00 53.00 C ATOM 0 H ALA A 25 1.110 -10.300 -7.370 1.00 11.33 H new ATOM 0 HA ALA A 25 0.671 -8.929 -4.839 1.00 73.35 H new ATOM 0 HB1 ALA A 25 -0.669 -10.797 -3.927 1.00 53.00 H new ATOM 0 HB2 ALA A 25 -1.520 -9.957 -5.245 1.00 53.00 H new ATOM 0 HB3 ALA A 25 -0.740 -11.528 -5.548 1.00 53.00 H new ATOM 356 N TYR A 26 2.926 -10.558 -5.700 1.00 2.01 N ATOM 357 CA TYR A 26 4.148 -11.301 -5.415 1.00 31.21 C ATOM 358 C TYR A 26 5.378 -10.523 -5.873 1.00 31.51 C ATOM 359 O TYR A 26 5.357 -9.859 -6.909 1.00 53.41 O ATOM 360 CB TYR A 26 4.110 -12.668 -6.101 1.00 1.20 C ATOM 361 CG TYR A 26 2.865 -13.467 -5.791 1.00 13.14 C ATOM 362 CD1 TYR A 26 2.811 -14.305 -4.684 1.00 13.34 C ATOM 363 CD2 TYR A 26 1.741 -13.383 -6.604 1.00 63.31 C ATOM 364 CE1 TYR A 26 1.675 -15.037 -4.397 1.00 22.22 C ATOM 365 CE2 TYR A 26 0.601 -14.111 -6.324 1.00 52.02 C ATOM 366 CZ TYR A 26 0.573 -14.937 -5.220 1.00 11.21 C ATOM 367 OH TYR A 26 -0.561 -15.664 -4.937 1.00 3.22 O ATOM 0 H TYR A 26 2.993 -9.925 -6.497 1.00 2.01 H new ATOM 0 HA TYR A 26 4.213 -11.445 -4.336 1.00 31.21 H new ATOM 0 HB2 TYR A 26 4.181 -12.526 -7.179 1.00 1.20 H new ATOM 0 HB3 TYR A 26 4.985 -13.242 -5.797 1.00 1.20 H new ATOM 0 HD1 TYR A 26 3.672 -14.386 -4.037 1.00 13.34 H new ATOM 0 HD2 TYR A 26 1.759 -12.737 -7.470 1.00 63.31 H new ATOM 0 HE1 TYR A 26 1.650 -15.684 -3.533 1.00 22.22 H new ATOM 0 HE2 TYR A 26 -0.264 -14.034 -6.966 1.00 52.02 H new ATOM 0 HH TYR A 26 -1.246 -15.479 -5.613 1.00 3.22 H new ATOM 377 N CYS A 27 6.450 -10.612 -5.093 1.00 21.40 N ATOM 378 CA CYS A 27 7.691 -9.919 -5.416 1.00 11.41 C ATOM 379 C CYS A 27 8.738 -10.894 -5.946 1.00 32.44 C ATOM 380 O CYS A 27 9.022 -11.915 -5.320 1.00 71.42 O ATOM 381 CB CYS A 27 8.231 -9.195 -4.181 1.00 42.41 C ATOM 382 SG CYS A 27 6.954 -8.342 -3.201 1.00 42.11 S ATOM 0 H CYS A 27 6.484 -11.158 -4.232 1.00 21.40 H new ATOM 0 HA CYS A 27 7.477 -9.187 -6.194 1.00 11.41 H new ATOM 0 HB2 CYS A 27 8.741 -9.917 -3.543 1.00 42.41 H new ATOM 0 HB3 CYS A 27 8.978 -8.467 -4.498 1.00 42.41 H new ATOM 387 N MET A 28 9.308 -10.572 -7.102 1.00 53.11 N ATOM 388 CA MET A 28 10.324 -11.419 -7.715 1.00 61.02 C ATOM 389 C MET A 28 11.663 -10.693 -7.791 1.00 44.14 C ATOM 390 O MET A 28 11.717 -9.495 -8.074 1.00 24.34 O ATOM 391 CB MET A 28 9.883 -11.849 -9.116 1.00 4.23 C ATOM 392 CG MET A 28 10.963 -12.583 -9.894 1.00 41.11 C ATOM 393 SD MET A 28 10.485 -12.914 -11.601 1.00 24.21 S ATOM 394 CE MET A 28 11.545 -11.767 -12.478 1.00 13.42 C ATOM 0 H MET A 28 9.084 -9.731 -7.633 1.00 53.11 H new ATOM 0 HA MET A 28 10.446 -12.305 -7.093 1.00 61.02 H new ATOM 0 HB2 MET A 28 9.007 -12.492 -9.031 1.00 4.23 H new ATOM 0 HB3 MET A 28 9.577 -10.967 -9.679 1.00 4.23 H new ATOM 0 HG2 MET A 28 11.878 -11.991 -9.885 1.00 41.11 H new ATOM 0 HG3 MET A 28 11.188 -13.525 -9.395 1.00 41.11 H new ATOM 0 HE1 MET A 28 11.019 -11.381 -13.351 1.00 13.42 H new ATOM 0 HE2 MET A 28 11.810 -10.940 -11.819 1.00 13.42 H new ATOM 0 HE3 MET A 28 12.451 -12.281 -12.798 1.00 13.42 H new ATOM 404 N THR A 29 12.744 -11.425 -7.538 1.00 11.24 N ATOM 405 CA THR A 29 14.083 -10.850 -7.576 1.00 73.11 C ATOM 406 C THR A 29 15.068 -11.797 -8.251 1.00 63.10 C ATOM 407 O THR A 29 15.340 -12.889 -7.750 1.00 13.21 O ATOM 408 CB THR A 29 14.593 -10.520 -6.161 1.00 11.52 C ATOM 409 OG1 THR A 29 13.775 -9.503 -5.570 1.00 63.12 O ATOM 410 CG2 THR A 29 16.040 -10.053 -6.203 1.00 1.43 C ATOM 0 H THR A 29 12.718 -12.418 -7.305 1.00 11.24 H new ATOM 0 HA THR A 29 14.015 -9.928 -8.153 1.00 73.11 H new ATOM 0 HB THR A 29 14.537 -11.426 -5.558 1.00 11.52 H new ATOM 0 HG1 THR A 29 13.033 -9.921 -5.085 1.00 63.12 H new ATOM 0 HG21 THR A 29 16.378 -9.826 -5.192 1.00 1.43 H new ATOM 0 HG22 THR A 29 16.664 -10.840 -6.626 1.00 1.43 H new ATOM 0 HG23 THR A 29 16.116 -9.158 -6.821 1.00 1.43 H new ATOM 418 N THR A 30 15.603 -11.373 -9.392 1.00 3.43 N ATOM 419 CA THR A 30 16.559 -12.183 -10.136 1.00 20.12 C ATOM 420 C THR A 30 17.980 -11.662 -9.955 1.00 22.33 C ATOM 421 O THR A 30 18.390 -10.708 -10.615 1.00 43.31 O ATOM 422 CB THR A 30 16.222 -12.211 -11.639 1.00 1.24 C ATOM 423 OG1 THR A 30 14.809 -12.075 -11.827 1.00 1.35 O ATOM 424 CG2 THR A 30 16.701 -13.506 -12.277 1.00 3.21 C ATOM 0 H THR A 30 15.390 -10.472 -9.821 1.00 3.43 H new ATOM 0 HA THR A 30 16.493 -13.195 -9.737 1.00 20.12 H new ATOM 0 HB THR A 30 16.734 -11.377 -12.119 1.00 1.24 H new ATOM 0 HG1 THR A 30 14.636 -11.490 -12.594 1.00 1.35 H new ATOM 0 HG21 THR A 30 16.452 -13.503 -13.338 1.00 3.21 H new ATOM 0 HG22 THR A 30 17.781 -13.592 -12.158 1.00 3.21 H new ATOM 0 HG23 THR A 30 16.214 -14.352 -11.793 1.00 3.21 H new ATOM 432 N ARG A 31 18.728 -12.296 -9.057 1.00 14.44 N ATOM 433 CA ARG A 31 20.104 -11.895 -8.789 1.00 34.03 C ATOM 434 C ARG A 31 21.083 -12.741 -9.597 1.00 2.10 C ATOM 435 O ARG A 31 21.414 -13.864 -9.215 1.00 12.14 O ATOM 436 CB ARG A 31 20.413 -12.023 -7.296 1.00 62.41 C ATOM 437 CG ARG A 31 19.922 -13.324 -6.682 1.00 12.02 C ATOM 438 CD ARG A 31 20.398 -13.477 -5.246 1.00 11.43 C ATOM 439 NE ARG A 31 20.161 -12.269 -4.459 1.00 71.03 N ATOM 440 CZ ARG A 31 20.608 -12.099 -3.220 1.00 65.41 C ATOM 441 NH1 ARG A 31 21.313 -13.055 -2.630 1.00 1.23 N ATOM 442 NH2 ARG A 31 20.352 -10.972 -2.569 1.00 52.02 N ATOM 0 H ARG A 31 18.404 -13.089 -8.503 1.00 14.44 H new ATOM 0 HA ARG A 31 20.218 -10.853 -9.088 1.00 34.03 H new ATOM 0 HB2 ARG A 31 21.490 -11.945 -7.149 1.00 62.41 H new ATOM 0 HB3 ARG A 31 19.958 -11.186 -6.766 1.00 62.41 H new ATOM 0 HG2 ARG A 31 18.833 -13.353 -6.710 1.00 12.02 H new ATOM 0 HG3 ARG A 31 20.279 -14.165 -7.276 1.00 12.02 H new ATOM 0 HD2 ARG A 31 19.884 -14.319 -4.782 1.00 11.43 H new ATOM 0 HD3 ARG A 31 21.463 -13.711 -5.240 1.00 11.43 H new ATOM 0 HE ARG A 31 19.622 -11.515 -4.885 1.00 71.03 H new ATOM 0 HH11 ARG A 31 21.513 -13.923 -3.128 1.00 1.23 H new ATOM 0 HH12 ARG A 31 21.656 -12.923 -1.678 1.00 1.23 H new ATOM 0 HH21 ARG A 31 19.811 -10.234 -3.020 1.00 52.02 H new ATOM 0 HH22 ARG A 31 20.696 -10.843 -1.617 1.00 52.02 H new ATOM 456 N THR A 32 21.544 -12.194 -10.718 1.00 24.42 N ATOM 457 CA THR A 32 22.484 -12.898 -11.581 1.00 22.51 C ATOM 458 C THR A 32 23.921 -12.680 -11.122 1.00 65.42 C ATOM 459 O THR A 32 24.284 -11.590 -10.681 1.00 13.45 O ATOM 460 CB THR A 32 22.350 -12.443 -13.046 1.00 64.34 C ATOM 461 OG1 THR A 32 21.020 -12.688 -13.516 1.00 20.30 O ATOM 462 CG2 THR A 32 23.349 -13.172 -13.933 1.00 32.42 C ATOM 0 H THR A 32 21.281 -11.266 -11.049 1.00 24.42 H new ATOM 0 HA THR A 32 22.241 -13.959 -11.514 1.00 22.51 H new ATOM 0 HB THR A 32 22.560 -11.374 -13.092 1.00 64.34 H new ATOM 0 HG1 THR A 32 20.943 -12.394 -14.448 1.00 20.30 H new ATOM 0 HG21 THR A 32 23.235 -12.834 -14.963 1.00 32.42 H new ATOM 0 HG22 THR A 32 24.362 -12.960 -13.591 1.00 32.42 H new ATOM 0 HG23 THR A 32 23.166 -14.245 -13.881 1.00 32.42 H new ATOM 470 N TYR A 33 24.737 -13.724 -11.230 1.00 55.41 N ATOM 471 CA TYR A 33 26.135 -13.646 -10.824 1.00 71.24 C ATOM 472 C TYR A 33 27.041 -14.299 -11.864 1.00 52.42 C ATOM 473 O TYR A 33 27.096 -15.524 -11.975 1.00 51.42 O ATOM 474 CB TYR A 33 26.332 -14.320 -9.466 1.00 34.45 C ATOM 475 CG TYR A 33 25.657 -15.669 -9.355 1.00 54.13 C ATOM 476 CD1 TYR A 33 24.299 -15.767 -9.074 1.00 63.25 C ATOM 477 CD2 TYR A 33 26.376 -16.844 -9.531 1.00 31.52 C ATOM 478 CE1 TYR A 33 23.678 -16.997 -8.972 1.00 63.11 C ATOM 479 CE2 TYR A 33 25.763 -18.078 -9.432 1.00 20.53 C ATOM 480 CZ TYR A 33 24.414 -18.150 -9.152 1.00 43.40 C ATOM 481 OH TYR A 33 23.800 -19.377 -9.051 1.00 64.01 O ATOM 0 H TYR A 33 24.454 -14.633 -11.595 1.00 55.41 H new ATOM 0 HA TYR A 33 26.405 -12.593 -10.742 1.00 71.24 H new ATOM 0 HB2 TYR A 33 27.399 -14.441 -9.281 1.00 34.45 H new ATOM 0 HB3 TYR A 33 25.946 -13.665 -8.685 1.00 34.45 H new ATOM 0 HD1 TYR A 33 23.720 -14.866 -8.933 1.00 63.25 H new ATOM 0 HD2 TYR A 33 27.432 -16.792 -9.749 1.00 31.52 H new ATOM 0 HE1 TYR A 33 22.622 -17.056 -8.753 1.00 63.11 H new ATOM 0 HE2 TYR A 33 26.337 -18.982 -9.573 1.00 20.53 H new ATOM 0 HH TYR A 33 23.441 -19.636 -9.925 1.00 64.01 H new ATOM 491 N TYR A 34 27.750 -13.471 -12.624 1.00 20.14 N ATOM 492 CA TYR A 34 28.653 -13.966 -13.656 1.00 52.32 C ATOM 493 C TYR A 34 30.090 -14.012 -13.147 1.00 20.45 C ATOM 494 O TYR A 34 30.664 -15.087 -12.966 1.00 74.21 O ATOM 495 CB TYR A 34 28.570 -13.081 -14.902 1.00 21.54 C ATOM 496 CG TYR A 34 27.413 -13.425 -15.812 1.00 53.40 C ATOM 497 CD1 TYR A 34 27.525 -14.433 -16.761 1.00 34.43 C ATOM 498 CD2 TYR A 34 26.207 -12.740 -15.723 1.00 34.33 C ATOM 499 CE1 TYR A 34 26.470 -14.750 -17.595 1.00 11.50 C ATOM 500 CE2 TYR A 34 25.146 -13.051 -16.552 1.00 1.42 C ATOM 501 CZ TYR A 34 25.283 -14.056 -17.487 1.00 12.44 C ATOM 502 OH TYR A 34 24.229 -14.369 -18.315 1.00 4.51 O ATOM 0 H TYR A 34 27.717 -12.455 -12.545 1.00 20.14 H new ATOM 0 HA TYR A 34 28.346 -14.979 -13.916 1.00 52.32 H new ATOM 0 HB2 TYR A 34 28.481 -12.040 -14.593 1.00 21.54 H new ATOM 0 HB3 TYR A 34 29.501 -13.169 -15.462 1.00 21.54 H new ATOM 0 HD1 TYR A 34 28.453 -14.979 -16.849 1.00 34.43 H new ATOM 0 HD2 TYR A 34 26.097 -11.951 -14.994 1.00 34.33 H new ATOM 0 HE1 TYR A 34 26.574 -15.537 -18.327 1.00 11.50 H new ATOM 0 HE2 TYR A 34 24.215 -12.510 -16.468 1.00 1.42 H new ATOM 0 HH TYR A 34 23.467 -13.788 -18.109 1.00 4.51 H new ATOM 512 N THR A 35 30.668 -12.837 -12.915 1.00 75.51 N ATOM 513 CA THR A 35 32.037 -12.742 -12.427 1.00 24.12 C ATOM 514 C THR A 35 32.089 -12.065 -11.062 1.00 53.52 C ATOM 515 O THR A 35 31.159 -11.370 -10.652 1.00 13.21 O ATOM 516 CB THR A 35 32.931 -11.961 -13.409 1.00 31.31 C ATOM 517 OG1 THR A 35 32.940 -10.572 -13.064 1.00 2.41 O ATOM 518 CG2 THR A 35 32.440 -12.131 -14.839 1.00 0.32 C ATOM 0 H THR A 35 30.208 -11.938 -13.058 1.00 75.51 H new ATOM 0 HA THR A 35 32.412 -13.762 -12.338 1.00 24.12 H new ATOM 0 HB THR A 35 33.944 -12.358 -13.340 1.00 31.31 H new ATOM 0 HG1 THR A 35 33.460 -10.073 -13.729 1.00 2.41 H new ATOM 0 HG21 THR A 35 33.086 -11.571 -15.515 1.00 0.32 H new ATOM 0 HG22 THR A 35 32.462 -13.187 -15.108 1.00 0.32 H new ATOM 0 HG23 THR A 35 31.419 -11.757 -14.920 1.00 0.32 H new ATOM 526 N PRO A 36 33.201 -12.269 -10.341 1.00 12.33 N ATOM 527 CA PRO A 36 33.400 -11.684 -9.011 1.00 62.41 C ATOM 528 C PRO A 36 33.595 -10.173 -9.065 1.00 63.15 C ATOM 529 O PRO A 36 33.703 -9.512 -8.032 1.00 21.43 O ATOM 530 CB PRO A 36 34.673 -12.370 -8.510 1.00 25.34 C ATOM 531 CG PRO A 36 35.405 -12.762 -9.747 1.00 2.12 C ATOM 532 CD PRO A 36 34.349 -13.085 -10.767 1.00 64.45 C ATOM 0 HA PRO A 36 32.535 -11.835 -8.365 1.00 62.41 H new ATOM 0 HB2 PRO A 36 35.269 -11.697 -7.894 1.00 25.34 H new ATOM 0 HB3 PRO A 36 34.439 -13.240 -7.896 1.00 25.34 H new ATOM 0 HG2 PRO A 36 36.048 -11.953 -10.093 1.00 2.12 H new ATOM 0 HG3 PRO A 36 36.048 -13.623 -9.564 1.00 2.12 H new ATOM 0 HD2 PRO A 36 34.673 -12.827 -11.775 1.00 64.45 H new ATOM 0 HD3 PRO A 36 34.107 -14.148 -10.772 1.00 64.45 H new ATOM 540 N THR A 37 33.640 -9.630 -10.278 1.00 54.21 N ATOM 541 CA THR A 37 33.822 -8.196 -10.467 1.00 63.32 C ATOM 542 C THR A 37 32.703 -7.607 -11.317 1.00 52.32 C ATOM 543 O THR A 37 32.652 -6.397 -11.542 1.00 23.32 O ATOM 544 CB THR A 37 35.176 -7.886 -11.134 1.00 13.41 C ATOM 545 OG1 THR A 37 35.200 -8.416 -12.464 1.00 21.44 O ATOM 546 CG2 THR A 37 36.324 -8.473 -10.327 1.00 11.31 C ATOM 0 H THR A 37 33.553 -10.162 -11.144 1.00 54.21 H new ATOM 0 HA THR A 37 33.800 -7.741 -9.477 1.00 63.32 H new ATOM 0 HB THR A 37 35.297 -6.803 -11.173 1.00 13.41 H new ATOM 0 HG1 THR A 37 36.063 -8.213 -12.881 1.00 21.44 H new ATOM 0 HG21 THR A 37 37.269 -8.241 -10.818 1.00 11.31 H new ATOM 0 HG22 THR A 37 36.321 -8.045 -9.325 1.00 11.31 H new ATOM 0 HG23 THR A 37 36.206 -9.554 -10.260 1.00 11.31 H new ATOM 554 N ARG A 38 31.806 -8.468 -11.787 1.00 64.11 N ATOM 555 CA ARG A 38 30.687 -8.032 -12.613 1.00 43.32 C ATOM 556 C ARG A 38 29.444 -8.870 -12.331 1.00 70.23 C ATOM 557 O ARG A 38 29.464 -10.093 -12.469 1.00 53.12 O ATOM 558 CB ARG A 38 31.053 -8.125 -14.096 1.00 21.33 C ATOM 559 CG ARG A 38 31.664 -6.850 -14.654 1.00 35.10 C ATOM 560 CD ARG A 38 31.970 -6.982 -16.138 1.00 33.34 C ATOM 561 NE ARG A 38 32.336 -5.702 -16.737 1.00 51.11 N ATOM 562 CZ ARG A 38 31.472 -4.715 -16.949 1.00 32.55 C ATOM 563 NH1 ARG A 38 30.198 -4.862 -16.611 1.00 1.34 N ATOM 564 NH2 ARG A 38 31.881 -3.580 -17.499 1.00 3.42 N ATOM 0 H ARG A 38 31.833 -9.472 -11.610 1.00 64.11 H new ATOM 0 HA ARG A 38 30.468 -6.994 -12.365 1.00 43.32 H new ATOM 0 HB2 ARG A 38 31.755 -8.946 -14.237 1.00 21.33 H new ATOM 0 HB3 ARG A 38 30.158 -8.369 -14.668 1.00 21.33 H new ATOM 0 HG2 ARG A 38 30.979 -6.017 -14.495 1.00 35.10 H new ATOM 0 HG3 ARG A 38 32.580 -6.617 -14.112 1.00 35.10 H new ATOM 0 HD2 ARG A 38 32.783 -7.694 -16.278 1.00 33.34 H new ATOM 0 HD3 ARG A 38 31.099 -7.387 -16.653 1.00 33.34 H new ATOM 0 HE ARG A 38 33.309 -5.557 -17.008 1.00 51.11 H new ATOM 0 HH11 ARG A 38 29.880 -5.734 -16.188 1.00 1.34 H new ATOM 0 HH12 ARG A 38 29.536 -4.103 -16.774 1.00 1.34 H new ATOM 0 HH21 ARG A 38 32.860 -3.464 -17.760 1.00 3.42 H new ATOM 0 HH22 ARG A 38 31.216 -2.823 -17.661 1.00 3.42 H new ATOM 578 N MET A 39 28.364 -8.204 -11.935 1.00 44.23 N ATOM 579 CA MET A 39 27.112 -8.888 -11.635 1.00 1.14 C ATOM 580 C MET A 39 25.915 -8.028 -12.027 1.00 0.43 C ATOM 581 O MET A 39 26.074 -6.897 -12.487 1.00 0.34 O ATOM 582 CB MET A 39 27.040 -9.235 -10.146 1.00 42.43 C ATOM 583 CG MET A 39 27.235 -8.035 -9.233 1.00 23.52 C ATOM 584 SD MET A 39 28.963 -7.774 -8.790 1.00 4.32 S ATOM 585 CE MET A 39 28.820 -7.470 -7.030 1.00 73.44 C ATOM 0 H MET A 39 28.331 -7.192 -11.815 1.00 44.23 H new ATOM 0 HA MET A 39 27.081 -9.809 -12.217 1.00 1.14 H new ATOM 0 HB2 MET A 39 26.072 -9.690 -9.933 1.00 42.43 H new ATOM 0 HB3 MET A 39 27.800 -9.982 -9.918 1.00 42.43 H new ATOM 0 HG2 MET A 39 26.851 -7.142 -9.726 1.00 23.52 H new ATOM 0 HG3 MET A 39 26.648 -8.175 -8.325 1.00 23.52 H new ATOM 0 HE1 MET A 39 29.810 -7.290 -6.610 1.00 73.44 H new ATOM 0 HE2 MET A 39 28.190 -6.596 -6.862 1.00 73.44 H new ATOM 0 HE3 MET A 39 28.373 -8.338 -6.546 1.00 73.44 H new ATOM 595 N LYS A 40 24.716 -8.570 -11.842 1.00 63.42 N ATOM 596 CA LYS A 40 23.492 -7.853 -12.175 1.00 55.14 C ATOM 597 C LYS A 40 22.329 -8.330 -11.310 1.00 42.34 C ATOM 598 O LYS A 40 22.285 -9.488 -10.896 1.00 72.22 O ATOM 599 CB LYS A 40 23.151 -8.043 -13.655 1.00 43.13 C ATOM 600 CG LYS A 40 24.150 -7.393 -14.597 1.00 52.13 C ATOM 601 CD LYS A 40 23.804 -7.666 -16.052 1.00 14.45 C ATOM 602 CE LYS A 40 24.599 -6.772 -16.991 1.00 21.02 C ATOM 603 NZ LYS A 40 24.416 -7.163 -18.416 1.00 54.31 N ATOM 0 H LYS A 40 24.566 -9.505 -11.463 1.00 63.42 H new ATOM 0 HA LYS A 40 23.657 -6.794 -11.979 1.00 55.14 H new ATOM 0 HB2 LYS A 40 23.099 -9.110 -13.873 1.00 43.13 H new ATOM 0 HB3 LYS A 40 22.161 -7.630 -13.847 1.00 43.13 H new ATOM 0 HG2 LYS A 40 24.169 -6.317 -14.422 1.00 52.13 H new ATOM 0 HG3 LYS A 40 25.151 -7.769 -14.383 1.00 52.13 H new ATOM 0 HD2 LYS A 40 24.006 -8.711 -16.285 1.00 14.45 H new ATOM 0 HD3 LYS A 40 22.738 -7.505 -16.210 1.00 14.45 H new ATOM 0 HE2 LYS A 40 24.288 -5.736 -16.856 1.00 21.02 H new ATOM 0 HE3 LYS A 40 25.657 -6.824 -16.733 1.00 21.02 H new ATOM 0 HZ1 LYS A 40 24.974 -6.530 -19.024 1.00 54.31 H new ATOM 0 HZ2 LYS A 40 24.736 -8.143 -18.551 1.00 54.31 H new ATOM 0 HZ3 LYS A 40 23.410 -7.089 -18.670 1.00 54.31 H new ATOM 617 N VAL A 41 21.389 -7.429 -11.042 1.00 73.41 N ATOM 618 CA VAL A 41 20.225 -7.759 -10.229 1.00 34.14 C ATOM 619 C VAL A 41 18.973 -7.065 -10.754 1.00 32.23 C ATOM 620 O VAL A 41 19.049 -5.987 -11.343 1.00 62.33 O ATOM 621 CB VAL A 41 20.439 -7.362 -8.756 1.00 35.52 C ATOM 622 CG1 VAL A 41 20.543 -5.851 -8.619 1.00 70.23 C ATOM 623 CG2 VAL A 41 19.314 -7.908 -7.889 1.00 13.22 C ATOM 0 H VAL A 41 21.411 -6.465 -11.376 1.00 73.41 H new ATOM 0 HA VAL A 41 20.091 -8.839 -10.291 1.00 34.14 H new ATOM 0 HB VAL A 41 21.377 -7.799 -8.413 1.00 35.52 H new ATOM 0 HG11 VAL A 41 20.694 -5.590 -7.571 1.00 70.23 H new ATOM 0 HG12 VAL A 41 21.386 -5.489 -9.208 1.00 70.23 H new ATOM 0 HG13 VAL A 41 19.624 -5.389 -8.979 1.00 70.23 H new ATOM 0 HG21 VAL A 41 19.481 -7.618 -6.852 1.00 13.22 H new ATOM 0 HG22 VAL A 41 18.362 -7.502 -8.230 1.00 13.22 H new ATOM 0 HG23 VAL A 41 19.292 -8.995 -7.963 1.00 13.22 H new ATOM 633 N SER A 42 17.820 -7.690 -10.535 1.00 64.41 N ATOM 634 CA SER A 42 16.551 -7.135 -10.989 1.00 41.43 C ATOM 635 C SER A 42 15.427 -7.483 -10.018 1.00 40.02 C ATOM 636 O SER A 42 15.293 -8.629 -9.590 1.00 25.43 O ATOM 637 CB SER A 42 16.213 -7.656 -12.387 1.00 73.21 C ATOM 638 OG SER A 42 15.604 -8.934 -12.321 1.00 73.10 O ATOM 0 H SER A 42 17.739 -8.581 -10.046 1.00 64.41 H new ATOM 0 HA SER A 42 16.651 -6.050 -11.028 1.00 41.43 H new ATOM 0 HB2 SER A 42 15.544 -6.956 -12.887 1.00 73.21 H new ATOM 0 HB3 SER A 42 17.121 -7.713 -12.987 1.00 73.21 H new ATOM 0 HG SER A 42 15.396 -9.245 -13.227 1.00 73.10 H new ATOM 644 N LYS A 43 14.620 -6.485 -9.675 1.00 1.23 N ATOM 645 CA LYS A 43 13.506 -6.683 -8.755 1.00 52.05 C ATOM 646 C LYS A 43 12.250 -5.983 -9.264 1.00 53.12 C ATOM 647 O LYS A 43 12.296 -4.822 -9.671 1.00 62.11 O ATOM 648 CB LYS A 43 13.867 -6.159 -7.364 1.00 15.43 C ATOM 649 CG LYS A 43 15.156 -6.740 -6.810 1.00 32.10 C ATOM 650 CD LYS A 43 15.760 -5.842 -5.743 1.00 73.04 C ATOM 651 CE LYS A 43 17.000 -6.468 -5.125 1.00 3.11 C ATOM 652 NZ LYS A 43 16.653 -7.518 -4.128 1.00 23.13 N ATOM 0 H LYS A 43 14.717 -5.530 -10.020 1.00 1.23 H new ATOM 0 HA LYS A 43 13.305 -7.752 -8.692 1.00 52.05 H new ATOM 0 HB2 LYS A 43 13.956 -5.073 -7.406 1.00 15.43 H new ATOM 0 HB3 LYS A 43 13.052 -6.385 -6.677 1.00 15.43 H new ATOM 0 HG2 LYS A 43 14.960 -7.726 -6.389 1.00 32.10 H new ATOM 0 HG3 LYS A 43 15.872 -6.876 -7.620 1.00 32.10 H new ATOM 0 HD2 LYS A 43 16.018 -4.878 -6.181 1.00 73.04 H new ATOM 0 HD3 LYS A 43 15.021 -5.652 -4.965 1.00 73.04 H new ATOM 0 HE2 LYS A 43 17.617 -6.903 -5.911 1.00 3.11 H new ATOM 0 HE3 LYS A 43 17.597 -5.693 -4.644 1.00 3.11 H new ATOM 0 HZ1 LYS A 43 17.466 -8.152 -3.995 1.00 23.13 H new ATOM 0 HZ2 LYS A 43 16.411 -7.070 -3.221 1.00 23.13 H new ATOM 0 HZ3 LYS A 43 15.839 -8.067 -4.471 1.00 23.13 H new ATOM 666 N SER A 44 11.128 -6.696 -9.237 1.00 1.21 N ATOM 667 CA SER A 44 9.860 -6.143 -9.698 1.00 33.24 C ATOM 668 C SER A 44 8.693 -7.022 -9.258 1.00 14.34 C ATOM 669 O SER A 44 8.882 -8.167 -8.848 1.00 25.32 O ATOM 670 CB SER A 44 9.863 -6.005 -11.221 1.00 52.02 C ATOM 671 OG SER A 44 10.432 -7.148 -11.836 1.00 35.22 O ATOM 0 H SER A 44 11.072 -7.657 -8.901 1.00 1.21 H new ATOM 0 HA SER A 44 9.738 -5.156 -9.252 1.00 33.24 H new ATOM 0 HB2 SER A 44 8.843 -5.866 -11.579 1.00 52.02 H new ATOM 0 HB3 SER A 44 10.425 -5.116 -11.508 1.00 52.02 H new ATOM 0 HG SER A 44 10.420 -7.036 -12.809 1.00 35.22 H new ATOM 677 N CYS A 45 7.484 -6.477 -9.345 1.00 40.44 N ATOM 678 CA CYS A 45 6.284 -7.208 -8.957 1.00 24.24 C ATOM 679 C CYS A 45 5.753 -8.040 -10.121 1.00 25.05 C ATOM 680 O CYS A 45 5.434 -7.508 -11.183 1.00 53.55 O ATOM 681 CB CYS A 45 5.204 -6.238 -8.474 1.00 61.20 C ATOM 682 SG CYS A 45 5.639 -5.339 -6.951 1.00 2.22 S ATOM 0 H CYS A 45 7.310 -5.530 -9.681 1.00 40.44 H new ATOM 0 HA CYS A 45 6.548 -7.882 -8.142 1.00 24.24 H new ATOM 0 HB2 CYS A 45 5.000 -5.515 -9.264 1.00 61.20 H new ATOM 0 HB3 CYS A 45 4.282 -6.793 -8.304 1.00 61.20 H new ATOM 687 N VAL A 46 5.662 -9.350 -9.912 1.00 1.44 N ATOM 688 CA VAL A 46 5.169 -10.256 -10.942 1.00 11.41 C ATOM 689 C VAL A 46 3.997 -11.085 -10.429 1.00 70.12 C ATOM 690 O VAL A 46 3.874 -11.360 -9.235 1.00 64.55 O ATOM 691 CB VAL A 46 6.279 -11.204 -11.434 1.00 15.14 C ATOM 692 CG1 VAL A 46 7.435 -10.412 -12.024 1.00 41.11 C ATOM 693 CG2 VAL A 46 6.757 -12.097 -10.299 1.00 3.43 C ATOM 0 H VAL A 46 5.923 -9.807 -9.038 1.00 1.44 H new ATOM 0 HA VAL A 46 4.835 -9.637 -11.775 1.00 11.41 H new ATOM 0 HB VAL A 46 5.869 -11.840 -12.219 1.00 15.14 H new ATOM 0 HG11 VAL A 46 8.209 -11.099 -12.366 1.00 41.11 H new ATOM 0 HG12 VAL A 46 7.078 -9.819 -12.866 1.00 41.11 H new ATOM 0 HG13 VAL A 46 7.848 -9.749 -11.263 1.00 41.11 H new ATOM 0 HG21 VAL A 46 7.541 -12.761 -10.664 1.00 3.43 H new ATOM 0 HG22 VAL A 46 7.151 -11.480 -9.491 1.00 3.43 H new ATOM 0 HG23 VAL A 46 5.922 -12.691 -9.928 1.00 3.43 H new ATOM 703 N PRO A 47 3.113 -11.494 -11.352 1.00 24.44 N ATOM 704 CA PRO A 47 1.935 -12.300 -11.017 1.00 3.23 C ATOM 705 C PRO A 47 2.303 -13.719 -10.598 1.00 3.05 C ATOM 706 O PRO A 47 1.834 -14.215 -9.573 1.00 3.11 O ATOM 707 CB PRO A 47 1.136 -12.318 -12.322 1.00 35.22 C ATOM 708 CG PRO A 47 2.150 -12.102 -13.391 1.00 2.31 C ATOM 709 CD PRO A 47 3.197 -11.203 -12.793 1.00 31.04 C ATOM 0 HA PRO A 47 1.386 -11.888 -10.170 1.00 3.23 H new ATOM 0 HB2 PRO A 47 0.617 -13.267 -12.455 1.00 35.22 H new ATOM 0 HB3 PRO A 47 0.377 -11.535 -12.332 1.00 35.22 H new ATOM 0 HG2 PRO A 47 2.585 -13.048 -13.713 1.00 2.31 H new ATOM 0 HG3 PRO A 47 1.698 -11.644 -14.271 1.00 2.31 H new ATOM 0 HD2 PRO A 47 4.188 -11.421 -13.190 1.00 31.04 H new ATOM 0 HD3 PRO A 47 2.993 -10.153 -13.004 1.00 31.04 H new ATOM 717 N ARG A 48 3.145 -14.367 -11.396 1.00 24.24 N ATOM 718 CA ARG A 48 3.576 -15.730 -11.107 1.00 75.00 C ATOM 719 C ARG A 48 5.027 -15.754 -10.636 1.00 14.13 C ATOM 720 O ARG A 48 5.845 -14.942 -11.068 1.00 54.55 O ATOM 721 CB ARG A 48 3.416 -16.611 -12.347 1.00 64.24 C ATOM 722 CG ARG A 48 2.148 -16.330 -13.136 1.00 14.14 C ATOM 723 CD ARG A 48 0.912 -16.420 -12.253 1.00 43.44 C ATOM 724 NE ARG A 48 0.842 -17.691 -11.538 1.00 1.44 N ATOM 725 CZ ARG A 48 0.560 -18.849 -12.123 1.00 32.11 C ATOM 726 NH1 ARG A 48 0.323 -18.897 -13.427 1.00 1.44 N ATOM 727 NH2 ARG A 48 0.514 -19.963 -11.404 1.00 24.50 N ATOM 0 H ARG A 48 3.542 -13.971 -12.248 1.00 24.24 H new ATOM 0 HA ARG A 48 2.947 -16.121 -10.308 1.00 75.00 H new ATOM 0 HB2 ARG A 48 4.278 -16.467 -12.998 1.00 64.24 H new ATOM 0 HB3 ARG A 48 3.419 -17.657 -12.041 1.00 64.24 H new ATOM 0 HG2 ARG A 48 2.207 -15.337 -13.581 1.00 14.14 H new ATOM 0 HG3 ARG A 48 2.063 -17.042 -13.957 1.00 14.14 H new ATOM 0 HD2 ARG A 48 0.919 -15.600 -11.535 1.00 43.44 H new ATOM 0 HD3 ARG A 48 0.019 -16.299 -12.866 1.00 43.44 H new ATOM 0 HE ARG A 48 1.020 -17.689 -10.534 1.00 1.44 H new ATOM 0 HH11 ARG A 48 0.357 -18.043 -13.983 1.00 1.44 H new ATOM 0 HH12 ARG A 48 0.107 -19.788 -13.874 1.00 1.44 H new ATOM 0 HH21 ARG A 48 0.695 -19.930 -10.401 1.00 24.50 H new ATOM 0 HH22 ARG A 48 0.297 -20.852 -11.854 1.00 24.50 H new ATOM 741 N CYS A 49 5.339 -16.690 -9.746 1.00 30.10 N ATOM 742 CA CYS A 49 6.690 -16.820 -9.214 1.00 62.24 C ATOM 743 C CYS A 49 7.563 -17.655 -10.147 1.00 24.35 C ATOM 744 O CYS A 49 7.140 -18.700 -10.642 1.00 15.21 O ATOM 745 CB CYS A 49 6.655 -17.457 -7.824 1.00 34.41 C ATOM 746 SG CYS A 49 8.266 -18.087 -7.253 1.00 71.12 S ATOM 0 H CYS A 49 4.674 -17.370 -9.378 1.00 30.10 H new ATOM 0 HA CYS A 49 7.121 -15.822 -9.137 1.00 62.24 H new ATOM 0 HB2 CYS A 49 6.291 -16.721 -7.108 1.00 34.41 H new ATOM 0 HB3 CYS A 49 5.938 -18.278 -7.830 1.00 34.41 H new ATOM 751 N PHE A 50 8.785 -17.188 -10.381 1.00 0.33 N ATOM 752 CA PHE A 50 9.718 -17.890 -11.254 1.00 23.35 C ATOM 753 C PHE A 50 11.020 -18.201 -10.520 1.00 40.24 C ATOM 754 O PHE A 50 12.051 -17.578 -10.774 1.00 75.33 O ATOM 755 CB PHE A 50 10.010 -17.055 -12.502 1.00 14.12 C ATOM 756 CG PHE A 50 8.903 -17.087 -13.516 1.00 55.23 C ATOM 757 CD1 PHE A 50 8.389 -18.294 -13.963 1.00 50.42 C ATOM 758 CD2 PHE A 50 8.376 -15.910 -14.024 1.00 13.15 C ATOM 759 CE1 PHE A 50 7.370 -18.327 -14.896 1.00 51.55 C ATOM 760 CE2 PHE A 50 7.356 -15.937 -14.956 1.00 44.45 C ATOM 761 CZ PHE A 50 6.854 -17.146 -15.394 1.00 73.34 C ATOM 0 H PHE A 50 9.152 -16.326 -9.978 1.00 0.33 H new ATOM 0 HA PHE A 50 9.257 -18.831 -11.555 1.00 23.35 H new ATOM 0 HB2 PHE A 50 10.190 -16.022 -12.204 1.00 14.12 H new ATOM 0 HB3 PHE A 50 10.927 -17.417 -12.966 1.00 14.12 H new ATOM 0 HD1 PHE A 50 8.790 -19.220 -13.578 1.00 50.42 H new ATOM 0 HD2 PHE A 50 8.767 -14.961 -13.688 1.00 13.15 H new ATOM 0 HE1 PHE A 50 6.978 -19.274 -15.235 1.00 51.55 H new ATOM 0 HE2 PHE A 50 6.952 -15.013 -15.342 1.00 44.45 H new ATOM 0 HZ PHE A 50 6.059 -17.169 -16.125 1.00 73.34 H new ATOM 771 N GLU A 51 10.963 -19.168 -9.610 1.00 2.54 N ATOM 772 CA GLU A 51 12.137 -19.560 -8.839 1.00 1.45 C ATOM 773 C GLU A 51 13.222 -20.126 -9.750 1.00 4.32 C ATOM 774 O GLU A 51 12.985 -20.389 -10.929 1.00 73.21 O ATOM 775 CB GLU A 51 11.756 -20.594 -7.778 1.00 32.23 C ATOM 776 CG GLU A 51 12.546 -20.462 -6.487 1.00 2.13 C ATOM 777 CD GLU A 51 11.871 -19.550 -5.480 1.00 63.33 C ATOM 778 OE1 GLU A 51 11.943 -18.316 -5.656 1.00 33.14 O ATOM 779 OE2 GLU A 51 11.271 -20.072 -4.517 1.00 63.12 O ATOM 0 H GLU A 51 10.118 -19.694 -9.389 1.00 2.54 H new ATOM 0 HA GLU A 51 12.529 -18.671 -8.345 1.00 1.45 H new ATOM 0 HB2 GLU A 51 10.693 -20.498 -7.555 1.00 32.23 H new ATOM 0 HB3 GLU A 51 11.907 -21.593 -8.186 1.00 32.23 H new ATOM 0 HG2 GLU A 51 12.680 -21.449 -6.045 1.00 2.13 H new ATOM 0 HG3 GLU A 51 13.540 -20.076 -6.712 1.00 2.13 H new ATOM 786 N THR A 52 14.416 -20.310 -9.195 1.00 4.03 N ATOM 787 CA THR A 52 15.539 -20.843 -9.956 1.00 42.41 C ATOM 788 C THR A 52 15.361 -22.332 -10.230 1.00 11.51 C ATOM 789 O THR A 52 15.225 -23.131 -9.304 1.00 23.50 O ATOM 790 CB THR A 52 16.873 -20.624 -9.217 1.00 70.22 C ATOM 791 OG1 THR A 52 17.946 -21.215 -9.958 1.00 62.15 O ATOM 792 CG2 THR A 52 16.823 -21.226 -7.821 1.00 11.32 C ATOM 0 H THR A 52 14.630 -20.098 -8.221 1.00 4.03 H new ATOM 0 HA THR A 52 15.564 -20.303 -10.903 1.00 42.41 H new ATOM 0 HB THR A 52 17.041 -19.551 -9.127 1.00 70.22 H new ATOM 0 HG1 THR A 52 18.791 -21.070 -9.483 1.00 62.15 H new ATOM 0 HG21 THR A 52 17.776 -21.059 -7.318 1.00 11.32 H new ATOM 0 HG22 THR A 52 16.024 -20.754 -7.250 1.00 11.32 H new ATOM 0 HG23 THR A 52 16.634 -22.297 -7.893 1.00 11.32 H new ATOM 800 N VAL A 53 15.363 -22.698 -11.508 1.00 14.03 N ATOM 801 CA VAL A 53 15.203 -24.092 -11.903 1.00 71.14 C ATOM 802 C VAL A 53 15.940 -24.382 -13.206 1.00 4.42 C ATOM 803 O VAL A 53 15.364 -24.293 -14.290 1.00 64.45 O ATOM 804 CB VAL A 53 13.717 -24.460 -12.075 1.00 21.12 C ATOM 805 CG1 VAL A 53 13.573 -25.910 -12.512 1.00 51.23 C ATOM 806 CG2 VAL A 53 12.953 -24.206 -10.784 1.00 43.32 C ATOM 0 H VAL A 53 15.474 -22.049 -12.287 1.00 14.03 H new ATOM 0 HA VAL A 53 15.630 -24.698 -11.104 1.00 71.14 H new ATOM 0 HB VAL A 53 13.291 -23.827 -12.853 1.00 21.12 H new ATOM 0 HG11 VAL A 53 12.517 -26.152 -12.628 1.00 51.23 H new ATOM 0 HG12 VAL A 53 14.086 -26.056 -13.463 1.00 51.23 H new ATOM 0 HG13 VAL A 53 14.014 -26.563 -11.758 1.00 51.23 H new ATOM 0 HG21 VAL A 53 11.905 -24.471 -10.923 1.00 43.32 H new ATOM 0 HG22 VAL A 53 13.378 -24.813 -9.984 1.00 43.32 H new ATOM 0 HG23 VAL A 53 13.028 -23.152 -10.518 1.00 43.32 H new ATOM 816 N TYR A 54 17.218 -24.728 -13.091 1.00 74.14 N ATOM 817 CA TYR A 54 18.036 -25.029 -14.260 1.00 74.23 C ATOM 818 C TYR A 54 19.032 -26.143 -13.955 1.00 62.34 C ATOM 819 O TYR A 54 19.547 -26.243 -12.842 1.00 22.33 O ATOM 820 CB TYR A 54 18.780 -23.776 -14.724 1.00 64.20 C ATOM 821 CG TYR A 54 17.912 -22.804 -15.491 1.00 20.54 C ATOM 822 CD1 TYR A 54 17.238 -23.201 -16.639 1.00 43.22 C ATOM 823 CD2 TYR A 54 17.765 -21.490 -15.065 1.00 55.24 C ATOM 824 CE1 TYR A 54 16.445 -22.316 -17.343 1.00 35.00 C ATOM 825 CE2 TYR A 54 16.972 -20.598 -15.762 1.00 74.51 C ATOM 826 CZ TYR A 54 16.314 -21.016 -16.900 1.00 62.24 C ATOM 827 OH TYR A 54 15.523 -20.132 -17.598 1.00 22.11 O ATOM 0 H TYR A 54 17.709 -24.807 -12.201 1.00 74.14 H new ATOM 0 HA TYR A 54 17.375 -25.367 -15.058 1.00 74.23 H new ATOM 0 HB2 TYR A 54 19.197 -23.269 -13.854 1.00 64.20 H new ATOM 0 HB3 TYR A 54 19.619 -24.074 -15.352 1.00 64.20 H new ATOM 0 HD1 TYR A 54 17.336 -24.219 -16.987 1.00 43.22 H new ATOM 0 HD2 TYR A 54 18.279 -21.160 -14.174 1.00 55.24 H new ATOM 0 HE1 TYR A 54 15.930 -22.640 -18.235 1.00 35.00 H new ATOM 0 HE2 TYR A 54 16.868 -19.580 -15.418 1.00 74.51 H new ATOM 0 HH TYR A 54 15.537 -19.259 -17.153 1.00 22.11 H new ATOM 837 N ASP A 55 19.299 -26.978 -14.954 1.00 24.25 N ATOM 838 CA ASP A 55 20.236 -28.085 -14.795 1.00 34.03 C ATOM 839 C ASP A 55 20.605 -28.683 -16.149 1.00 1.23 C ATOM 840 O ASP A 55 19.913 -29.562 -16.660 1.00 62.20 O ATOM 841 CB ASP A 55 19.634 -29.165 -13.894 1.00 11.43 C ATOM 842 CG ASP A 55 18.211 -29.515 -14.281 1.00 14.31 C ATOM 843 OD1 ASP A 55 17.279 -28.855 -13.775 1.00 22.15 O ATOM 844 OD2 ASP A 55 18.028 -30.449 -15.090 1.00 10.14 O ATOM 0 H ASP A 55 18.880 -26.909 -15.882 1.00 24.25 H new ATOM 0 HA ASP A 55 21.142 -27.698 -14.330 1.00 34.03 H new ATOM 0 HB2 ASP A 55 20.252 -30.062 -13.944 1.00 11.43 H new ATOM 0 HB3 ASP A 55 19.652 -28.823 -12.859 1.00 11.43 H new ATOM 849 N GLY A 56 21.701 -28.198 -16.725 1.00 52.11 N ATOM 850 CA GLY A 56 22.142 -28.695 -18.015 1.00 44.00 C ATOM 851 C GLY A 56 23.595 -28.365 -18.297 1.00 73.03 C ATOM 852 O GLY A 56 24.403 -29.258 -18.553 1.00 50.13 O ATOM 0 H GLY A 56 22.291 -27.470 -16.321 1.00 52.11 H new ATOM 0 HA2 GLY A 56 22.004 -29.776 -18.051 1.00 44.00 H new ATOM 0 HA3 GLY A 56 21.517 -28.268 -18.799 1.00 44.00 H new ATOM 856 N TYR A 57 23.927 -27.080 -18.252 1.00 41.23 N ATOM 857 CA TYR A 57 25.291 -26.634 -18.509 1.00 43.34 C ATOM 858 C TYR A 57 25.729 -25.598 -17.479 1.00 1.34 C ATOM 859 O TYR A 57 26.448 -25.914 -16.531 1.00 13.04 O ATOM 860 CB TYR A 57 25.401 -26.046 -19.918 1.00 23.54 C ATOM 861 CG TYR A 57 25.757 -27.068 -20.974 1.00 31.43 C ATOM 862 CD1 TYR A 57 27.065 -27.509 -21.130 1.00 43.31 C ATOM 863 CD2 TYR A 57 24.784 -27.594 -21.815 1.00 33.54 C ATOM 864 CE1 TYR A 57 27.395 -28.442 -22.094 1.00 55.43 C ATOM 865 CE2 TYR A 57 25.104 -28.529 -22.781 1.00 14.15 C ATOM 866 CZ TYR A 57 26.410 -28.949 -22.917 1.00 4.22 C ATOM 867 OH TYR A 57 26.734 -29.879 -23.877 1.00 61.45 O ATOM 0 H TYR A 57 23.270 -26.329 -18.040 1.00 41.23 H new ATOM 0 HA TYR A 57 25.949 -27.499 -18.430 1.00 43.34 H new ATOM 0 HB2 TYR A 57 24.453 -25.578 -20.182 1.00 23.54 H new ATOM 0 HB3 TYR A 57 26.155 -25.259 -19.917 1.00 23.54 H new ATOM 0 HD1 TYR A 57 27.838 -27.115 -20.486 1.00 43.31 H new ATOM 0 HD2 TYR A 57 23.760 -27.266 -21.712 1.00 33.54 H new ATOM 0 HE1 TYR A 57 28.417 -28.773 -22.203 1.00 55.43 H new ATOM 0 HE2 TYR A 57 24.335 -28.928 -23.426 1.00 14.15 H new ATOM 0 HH TYR A 57 25.927 -30.135 -24.370 1.00 61.45 H new ATOM 877 N SER A 58 25.289 -24.358 -17.672 1.00 25.25 N ATOM 878 CA SER A 58 25.638 -23.273 -16.761 1.00 75.43 C ATOM 879 C SER A 58 24.646 -22.120 -16.886 1.00 63.33 C ATOM 880 O SER A 58 24.968 -20.973 -16.577 1.00 12.15 O ATOM 881 CB SER A 58 27.056 -22.775 -17.047 1.00 35.03 C ATOM 882 OG SER A 58 27.467 -21.826 -16.079 1.00 11.54 O ATOM 0 H SER A 58 24.691 -24.080 -18.450 1.00 25.25 H new ATOM 0 HA SER A 58 25.595 -23.658 -15.742 1.00 75.43 H new ATOM 0 HB2 SER A 58 27.747 -23.618 -17.051 1.00 35.03 H new ATOM 0 HB3 SER A 58 27.094 -22.327 -18.040 1.00 35.03 H new ATOM 0 HG SER A 58 26.756 -21.164 -15.948 1.00 11.54 H new ATOM 888 N LYS A 59 23.438 -22.434 -17.343 1.00 4.23 N ATOM 889 CA LYS A 59 22.397 -21.426 -17.508 1.00 65.35 C ATOM 890 C LYS A 59 21.726 -21.113 -16.175 1.00 61.01 C ATOM 891 O LYS A 59 20.803 -20.301 -16.109 1.00 50.42 O ATOM 892 CB LYS A 59 21.352 -21.905 -18.518 1.00 72.20 C ATOM 893 CG LYS A 59 20.262 -22.766 -17.903 1.00 13.42 C ATOM 894 CD LYS A 59 20.684 -24.223 -17.817 1.00 14.24 C ATOM 895 CE LYS A 59 20.730 -24.872 -19.191 1.00 42.25 C ATOM 896 NZ LYS A 59 19.427 -25.494 -19.556 1.00 1.23 N ATOM 0 H LYS A 59 23.156 -23.378 -17.606 1.00 4.23 H new ATOM 0 HA LYS A 59 22.864 -20.515 -17.881 1.00 65.35 H new ATOM 0 HB2 LYS A 59 20.894 -21.038 -18.993 1.00 72.20 H new ATOM 0 HB3 LYS A 59 21.851 -22.472 -19.304 1.00 72.20 H new ATOM 0 HG2 LYS A 59 20.024 -22.396 -16.906 1.00 13.42 H new ATOM 0 HG3 LYS A 59 19.353 -22.684 -18.499 1.00 13.42 H new ATOM 0 HD2 LYS A 59 21.666 -24.291 -17.348 1.00 14.24 H new ATOM 0 HD3 LYS A 59 19.988 -24.768 -17.179 1.00 14.24 H new ATOM 0 HE2 LYS A 59 20.996 -24.123 -19.937 1.00 42.25 H new ATOM 0 HE3 LYS A 59 21.512 -25.631 -19.208 1.00 42.25 H new ATOM 0 HZ1 LYS A 59 19.500 -25.925 -20.499 1.00 1.23 H new ATOM 0 HZ2 LYS A 59 19.184 -26.226 -18.858 1.00 1.23 H new ATOM 0 HZ3 LYS A 59 18.685 -24.765 -19.565 1.00 1.23 H new ATOM 910 N HIS A 60 22.196 -21.761 -15.114 1.00 64.21 N ATOM 911 CA HIS A 60 21.642 -21.550 -13.782 1.00 4.35 C ATOM 912 C HIS A 60 22.461 -20.519 -13.010 1.00 42.01 C ATOM 913 O HIS A 60 22.583 -20.597 -11.788 1.00 72.41 O ATOM 914 CB HIS A 60 21.601 -22.868 -13.008 1.00 43.01 C ATOM 915 CG HIS A 60 22.956 -23.384 -12.631 1.00 11.52 C ATOM 916 ND1 HIS A 60 23.742 -24.129 -13.484 1.00 41.51 N ATOM 917 CD2 HIS A 60 23.664 -23.256 -11.484 1.00 72.21 C ATOM 918 CE1 HIS A 60 24.874 -24.439 -12.878 1.00 43.31 C ATOM 919 NE2 HIS A 60 24.852 -23.921 -11.663 1.00 40.22 N ATOM 0 H HIS A 60 22.959 -22.437 -15.151 1.00 64.21 H new ATOM 0 HA HIS A 60 20.626 -21.172 -13.894 1.00 4.35 H new ATOM 0 HB2 HIS A 60 21.009 -22.730 -12.103 1.00 43.01 H new ATOM 0 HB3 HIS A 60 21.091 -23.618 -13.612 1.00 43.01 H new ATOM 0 HD2 HIS A 60 23.352 -22.729 -10.594 1.00 72.21 H new ATOM 0 HE1 HIS A 60 25.681 -25.018 -13.304 1.00 43.31 H new ATOM 0 HE2 HIS A 60 25.596 -24.002 -10.970 1.00 40.22 H new ATOM 927 N ALA A 61 23.021 -19.554 -13.733 1.00 21.24 N ATOM 928 CA ALA A 61 23.827 -18.508 -13.116 1.00 0.10 C ATOM 929 C ALA A 61 22.959 -17.333 -12.677 1.00 62.32 C ATOM 930 O ALA A 61 23.434 -16.202 -12.575 1.00 23.44 O ATOM 931 CB ALA A 61 24.908 -18.038 -14.079 1.00 15.45 C ATOM 0 H ALA A 61 22.931 -19.475 -14.746 1.00 21.24 H new ATOM 0 HA ALA A 61 24.303 -18.926 -12.229 1.00 0.10 H new ATOM 0 HB1 ALA A 61 25.503 -17.257 -13.605 1.00 15.45 H new ATOM 0 HB2 ALA A 61 25.553 -18.877 -14.340 1.00 15.45 H new ATOM 0 HB3 ALA A 61 24.444 -17.643 -14.983 1.00 15.45 H new ATOM 937 N SER A 62 21.685 -17.609 -12.420 1.00 55.11 N ATOM 938 CA SER A 62 20.749 -16.574 -11.997 1.00 0.54 C ATOM 939 C SER A 62 19.755 -17.123 -10.978 1.00 21.21 C ATOM 940 O SER A 62 18.913 -17.960 -11.303 1.00 74.41 O ATOM 941 CB SER A 62 19.999 -16.009 -13.205 1.00 31.24 C ATOM 942 OG SER A 62 19.153 -16.988 -13.783 1.00 22.33 O ATOM 0 H SER A 62 21.277 -18.541 -12.497 1.00 55.11 H new ATOM 0 HA SER A 62 21.320 -15.774 -11.526 1.00 0.54 H new ATOM 0 HB2 SER A 62 19.407 -15.147 -12.899 1.00 31.24 H new ATOM 0 HB3 SER A 62 20.714 -15.657 -13.949 1.00 31.24 H new ATOM 0 HG SER A 62 18.848 -17.608 -13.088 1.00 22.33 H new ATOM 948 N THR A 63 19.860 -16.646 -9.741 1.00 54.24 N ATOM 949 CA THR A 63 18.972 -17.089 -8.674 1.00 2.14 C ATOM 950 C THR A 63 17.740 -16.197 -8.577 1.00 51.30 C ATOM 951 O THR A 63 17.845 -14.970 -8.593 1.00 44.23 O ATOM 952 CB THR A 63 19.693 -17.099 -7.312 1.00 53.12 C ATOM 953 OG1 THR A 63 20.906 -17.854 -7.405 1.00 52.15 O ATOM 954 CG2 THR A 63 18.801 -17.693 -6.232 1.00 61.34 C ATOM 0 H THR A 63 20.551 -15.953 -9.454 1.00 54.24 H new ATOM 0 HA THR A 63 18.663 -18.104 -8.922 1.00 2.14 H new ATOM 0 HB THR A 63 19.927 -16.069 -7.042 1.00 53.12 H new ATOM 0 HG1 THR A 63 21.359 -17.854 -6.536 1.00 52.15 H new ATOM 0 HG21 THR A 63 19.331 -17.690 -5.280 1.00 61.34 H new ATOM 0 HG22 THR A 63 17.892 -17.098 -6.143 1.00 61.34 H new ATOM 0 HG23 THR A 63 18.540 -18.717 -6.498 1.00 61.34 H new ATOM 962 N THR A 64 16.570 -16.820 -8.476 1.00 30.03 N ATOM 963 CA THR A 64 15.317 -16.082 -8.377 1.00 30.31 C ATOM 964 C THR A 64 14.602 -16.386 -7.065 1.00 71.54 C ATOM 965 O THR A 64 14.418 -17.548 -6.703 1.00 30.24 O ATOM 966 CB THR A 64 14.376 -16.414 -9.550 1.00 51.34 C ATOM 967 OG1 THR A 64 15.142 -16.759 -10.710 1.00 33.41 O ATOM 968 CG2 THR A 64 13.470 -15.233 -9.868 1.00 25.21 C ATOM 0 H THR A 64 16.464 -17.834 -8.461 1.00 30.03 H new ATOM 0 HA THR A 64 15.570 -15.022 -8.412 1.00 30.31 H new ATOM 0 HB THR A 64 13.755 -17.261 -9.260 1.00 51.34 H new ATOM 0 HG1 THR A 64 14.536 -16.970 -11.451 1.00 33.41 H new ATOM 0 HG21 THR A 64 12.814 -15.491 -10.700 1.00 25.21 H new ATOM 0 HG22 THR A 64 12.867 -14.991 -8.993 1.00 25.21 H new ATOM 0 HG23 THR A 64 14.078 -14.370 -10.140 1.00 25.21 H new ATOM 976 N SER A 65 14.200 -15.335 -6.358 1.00 72.23 N ATOM 977 CA SER A 65 13.507 -15.490 -5.085 1.00 30.43 C ATOM 978 C SER A 65 12.140 -14.813 -5.124 1.00 23.24 C ATOM 979 O SER A 65 12.004 -13.692 -5.614 1.00 74.00 O ATOM 980 CB SER A 65 14.347 -14.904 -3.948 1.00 70.23 C ATOM 981 OG SER A 65 15.658 -15.443 -3.953 1.00 12.41 O ATOM 0 H SER A 65 14.342 -14.367 -6.645 1.00 72.23 H new ATOM 0 HA SER A 65 13.360 -16.555 -4.907 1.00 30.43 H new ATOM 0 HB2 SER A 65 14.396 -13.820 -4.049 1.00 70.23 H new ATOM 0 HB3 SER A 65 13.868 -15.114 -2.992 1.00 70.23 H new ATOM 0 HG SER A 65 16.175 -15.052 -3.218 1.00 12.41 H new ATOM 987 N CYS A 66 11.131 -15.503 -4.603 1.00 55.52 N ATOM 988 CA CYS A 66 9.774 -14.970 -4.578 1.00 35.43 C ATOM 989 C CYS A 66 9.277 -14.815 -3.143 1.00 71.31 C ATOM 990 O CYS A 66 9.649 -15.587 -2.259 1.00 33.33 O ATOM 991 CB CYS A 66 8.830 -15.886 -5.360 1.00 15.13 C ATOM 992 SG CYS A 66 9.449 -16.361 -7.006 1.00 15.41 S ATOM 0 H CYS A 66 11.227 -16.432 -4.193 1.00 55.52 H new ATOM 0 HA CYS A 66 9.787 -13.986 -5.048 1.00 35.43 H new ATOM 0 HB2 CYS A 66 8.651 -16.789 -4.776 1.00 15.13 H new ATOM 0 HB3 CYS A 66 7.869 -15.386 -5.476 1.00 15.13 H new ATOM 997 N CYS A 67 8.434 -13.812 -2.920 1.00 23.42 N ATOM 998 CA CYS A 67 7.886 -13.555 -1.594 1.00 11.51 C ATOM 999 C CYS A 67 6.611 -12.720 -1.685 1.00 64.22 C ATOM 1000 O CYS A 67 6.224 -12.278 -2.766 1.00 71.44 O ATOM 1001 CB CYS A 67 8.918 -12.835 -0.723 1.00 61.32 C ATOM 1002 SG CYS A 67 9.856 -11.541 -1.597 1.00 55.23 S ATOM 0 H CYS A 67 8.116 -13.164 -3.641 1.00 23.42 H new ATOM 0 HA CYS A 67 7.641 -14.514 -1.138 1.00 11.51 H new ATOM 0 HB2 CYS A 67 8.408 -12.386 0.129 1.00 61.32 H new ATOM 0 HB3 CYS A 67 9.618 -13.570 -0.325 1.00 61.32 H new ATOM 1007 N GLN A 68 5.966 -12.509 -0.543 1.00 33.42 N ATOM 1008 CA GLN A 68 4.735 -11.729 -0.494 1.00 41.32 C ATOM 1009 C GLN A 68 4.739 -10.780 0.700 1.00 41.01 C ATOM 1010 O GLN A 68 3.703 -10.226 1.069 1.00 22.41 O ATOM 1011 CB GLN A 68 3.521 -12.656 -0.420 1.00 53.20 C ATOM 1012 CG GLN A 68 2.273 -12.077 -1.067 1.00 51.21 C ATOM 1013 CD GLN A 68 1.418 -11.294 -0.090 1.00 5.22 C ATOM 1014 OE1 GLN A 68 1.172 -11.739 1.032 1.00 53.44 O ATOM 1015 NE2 GLN A 68 0.962 -10.120 -0.511 1.00 35.32 N ATOM 0 H GLN A 68 6.275 -12.867 0.361 1.00 33.42 H new ATOM 0 HA GLN A 68 4.674 -11.136 -1.406 1.00 41.32 H new ATOM 0 HB2 GLN A 68 3.766 -13.601 -0.904 1.00 53.20 H new ATOM 0 HB3 GLN A 68 3.308 -12.879 0.625 1.00 53.20 H new ATOM 0 HG2 GLN A 68 2.565 -11.426 -1.891 1.00 51.21 H new ATOM 0 HG3 GLN A 68 1.681 -12.886 -1.494 1.00 51.21 H new ATOM 0 HE21 GLN A 68 1.191 -9.791 -1.449 1.00 35.32 H new ATOM 0 HE22 GLN A 68 0.383 -9.548 0.103 1.00 35.32 H new ATOM 1024 N TYR A 69 5.910 -10.597 1.300 1.00 61.22 N ATOM 1025 CA TYR A 69 6.048 -9.717 2.454 1.00 22.43 C ATOM 1026 C TYR A 69 6.535 -8.335 2.031 1.00 61.04 C ATOM 1027 O TYR A 69 7.296 -8.199 1.072 1.00 34.20 O ATOM 1028 CB TYR A 69 7.018 -10.323 3.470 1.00 4.11 C ATOM 1029 CG TYR A 69 7.528 -9.328 4.488 1.00 44.11 C ATOM 1030 CD1 TYR A 69 6.664 -8.723 5.392 1.00 75.33 C ATOM 1031 CD2 TYR A 69 8.876 -8.993 4.546 1.00 32.14 C ATOM 1032 CE1 TYR A 69 7.125 -7.813 6.323 1.00 62.24 C ATOM 1033 CE2 TYR A 69 9.347 -8.085 5.475 1.00 35.10 C ATOM 1034 CZ TYR A 69 8.467 -7.497 6.361 1.00 63.54 C ATOM 1035 OH TYR A 69 8.931 -6.592 7.287 1.00 23.44 O ATOM 0 H TYR A 69 6.777 -11.046 1.006 1.00 61.22 H new ATOM 0 HA TYR A 69 5.067 -9.610 2.917 1.00 22.43 H new ATOM 0 HB2 TYR A 69 6.521 -11.141 3.991 1.00 4.11 H new ATOM 0 HB3 TYR A 69 7.867 -10.753 2.938 1.00 4.11 H new ATOM 0 HD1 TYR A 69 5.613 -8.969 5.366 1.00 75.33 H new ATOM 0 HD2 TYR A 69 9.567 -9.450 3.853 1.00 32.14 H new ATOM 0 HE1 TYR A 69 6.439 -7.351 7.017 1.00 62.24 H new ATOM 0 HE2 TYR A 69 10.398 -7.837 5.508 1.00 35.10 H new ATOM 0 HH TYR A 69 9.899 -6.482 7.181 1.00 23.44 H new ATOM 1045 N ASP A 70 6.091 -7.312 2.753 1.00 64.04 N ATOM 1046 CA ASP A 70 6.482 -5.939 2.454 1.00 22.12 C ATOM 1047 C ASP A 70 8.001 -5.801 2.422 1.00 61.34 C ATOM 1048 O ASP A 70 8.693 -6.215 3.353 1.00 11.31 O ATOM 1049 CB ASP A 70 5.893 -4.982 3.491 1.00 1.34 C ATOM 1050 CG ASP A 70 4.424 -4.696 3.247 1.00 44.21 C ATOM 1051 OD1 ASP A 70 4.052 -4.461 2.078 1.00 33.50 O ATOM 1052 OD2 ASP A 70 3.648 -4.707 4.224 1.00 34.24 O ATOM 0 H ASP A 70 5.460 -7.407 3.549 1.00 64.04 H new ATOM 0 HA ASP A 70 6.091 -5.682 1.470 1.00 22.12 H new ATOM 0 HB2 ASP A 70 6.017 -5.409 4.486 1.00 1.34 H new ATOM 0 HB3 ASP A 70 6.450 -4.045 3.474 1.00 1.34 H new ATOM 1057 N LEU A 71 8.514 -5.219 1.343 1.00 21.23 N ATOM 1058 CA LEU A 71 9.952 -5.028 1.188 1.00 11.41 C ATOM 1059 C LEU A 71 10.708 -6.320 1.478 1.00 30.15 C ATOM 1060 O LEU A 71 11.811 -6.297 2.026 1.00 33.51 O ATOM 1061 CB LEU A 71 10.442 -3.917 2.119 1.00 53.22 C ATOM 1062 CG LEU A 71 9.781 -2.550 1.938 1.00 0.30 C ATOM 1063 CD1 LEU A 71 10.517 -1.491 2.744 1.00 14.42 C ATOM 1064 CD2 LEU A 71 9.739 -2.168 0.465 1.00 21.25 C ATOM 0 H LEU A 71 7.956 -4.871 0.563 1.00 21.23 H new ATOM 0 HA LEU A 71 10.146 -4.740 0.155 1.00 11.41 H new ATOM 0 HB2 LEU A 71 10.288 -4.239 3.149 1.00 53.22 H new ATOM 0 HB3 LEU A 71 11.517 -3.800 1.979 1.00 53.22 H new ATOM 0 HG LEU A 71 8.757 -2.611 2.306 1.00 0.30 H new ATOM 0 HD11 LEU A 71 10.033 -0.525 2.603 1.00 14.42 H new ATOM 0 HD12 LEU A 71 10.495 -1.757 3.801 1.00 14.42 H new ATOM 0 HD13 LEU A 71 11.552 -1.431 2.407 1.00 14.42 H new ATOM 0 HD21 LEU A 71 9.265 -1.192 0.355 1.00 21.25 H new ATOM 0 HD22 LEU A 71 10.754 -2.125 0.071 1.00 21.25 H new ATOM 0 HD23 LEU A 71 9.167 -2.913 -0.088 1.00 21.25 H new ATOM 1076 N CYS A 72 10.109 -7.446 1.106 1.00 31.31 N ATOM 1077 CA CYS A 72 10.725 -8.749 1.324 1.00 24.33 C ATOM 1078 C CYS A 72 11.997 -8.895 0.494 1.00 25.12 C ATOM 1079 O CYS A 72 12.917 -9.621 0.871 1.00 55.04 O ATOM 1080 CB CYS A 72 9.742 -9.867 0.972 1.00 63.31 C ATOM 1081 SG CYS A 72 9.191 -9.852 -0.764 1.00 73.42 S ATOM 0 H CYS A 72 9.197 -7.482 0.652 1.00 31.31 H new ATOM 0 HA CYS A 72 10.989 -8.826 2.379 1.00 24.33 H new ATOM 0 HB2 CYS A 72 10.210 -10.828 1.185 1.00 63.31 H new ATOM 0 HB3 CYS A 72 8.869 -9.786 1.620 1.00 63.31 H new ATOM 1086 N ASN A 73 12.042 -8.199 -0.637 1.00 61.12 N ATOM 1087 CA ASN A 73 13.201 -8.251 -1.521 1.00 51.13 C ATOM 1088 C ASN A 73 14.159 -7.100 -1.230 1.00 50.23 C ATOM 1089 O ASN A 73 14.918 -6.675 -2.100 1.00 54.35 O ATOM 1090 CB ASN A 73 12.755 -8.201 -2.984 1.00 41.11 C ATOM 1091 CG ASN A 73 12.115 -6.875 -3.348 1.00 72.33 C ATOM 1092 OD1 ASN A 73 11.920 -6.012 -2.493 1.00 41.50 O ATOM 1093 ND2 ASN A 73 11.784 -6.709 -4.624 1.00 12.04 N ATOM 0 H ASN A 73 11.290 -7.592 -0.963 1.00 61.12 H new ATOM 0 HA ASN A 73 13.724 -9.190 -1.339 1.00 51.13 H new ATOM 0 HB2 ASN A 73 13.616 -8.375 -3.630 1.00 41.11 H new ATOM 0 HB3 ASN A 73 12.046 -9.007 -3.173 1.00 41.11 H new ATOM 0 HD21 ASN A 73 11.349 -5.838 -4.929 1.00 12.04 H new ATOM 0 HD22 ASN A 73 11.965 -7.452 -5.299 1.00 12.04 H new ATOM 1100 N GLY A 74 14.118 -6.600 0.001 1.00 4.21 N ATOM 1101 CA GLY A 74 14.988 -5.503 0.386 1.00 74.25 C ATOM 1102 C GLY A 74 16.355 -5.978 0.836 1.00 11.42 C ATOM 1103 O GLY A 74 16.514 -6.455 1.960 1.00 45.43 O ATOM 0 H GLY A 74 13.498 -6.935 0.739 1.00 4.21 H new ATOM 0 HA2 GLY A 74 15.103 -4.821 -0.457 1.00 74.25 H new ATOM 0 HA3 GLY A 74 14.520 -4.938 1.192 1.00 74.25 H new TER 1107 GLY A 74