USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 50 ASN : amide:sc= -0.908 K(o=-0.66,f=-1.9) USER MOD Set 1.2: A 89 ASN : amide:sc= 0.247 K(o=-0.66,f=-3) USER MOD Set 2.1: A 58 SER OG : rot -46:sc= 0.0813 USER MOD Set 2.2: A 101 PGM O1 : rot -125:sc= 0.00287 USER MOD Set 3.1: A 17 TYR OH : rot -62:sc=0.000779 USER MOD Set 3.2: A 66 ASN : amide:sc= -3.25 K(o=-3.3,f=-2.2) USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.0945 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 103:sc= 0.489 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 18:sc= 0.86 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0855 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.52) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.38! USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.408 USER MOD Single : A 46 GLN : amide:sc= -2.22 K(o=-2.2,f=-5.9!) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -2.33 (180deg=-3.42!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -2.95 K(o=-3,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0525 X(o=-0.053,f=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0445 K(o=-0.045,f=-0.72) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0566 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -33:sc= 0.407 USER MOD Single : A 86 THR OG1 : rot 140:sc= -0.0676 USER MOD Single : A 87 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.2!) USER MOD Single : A 90 THR OG1 : rot -59:sc= 0.824 USER MOD Single : A 92 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00621) USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -133:sc= -0.378 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.053 -0.464 0.531 1.00 32.02 N ATOM 2 CA ALA A 1 2.732 -0.630 -0.881 1.00 12.11 C ATOM 3 C ALA A 1 3.302 -1.936 -1.424 1.00 10.12 C ATOM 4 O ALA A 1 4.174 -2.548 -0.806 1.00 14.24 O ATOM 5 CB ALA A 1 3.256 0.551 -1.684 1.00 4.33 C ATOM 0 H1 ALA A 1 2.197 -0.617 1.102 1.00 32.02 H new ATOM 0 H2 ALA A 1 3.780 -1.155 0.805 1.00 32.02 H new ATOM 0 H3 ALA A 1 3.411 0.499 0.695 1.00 32.02 H new ATOM 0 HA ALA A 1 1.647 -0.669 -0.979 1.00 12.11 H new ATOM 0 HB1 ALA A 1 3.009 0.413 -2.737 1.00 4.33 H new ATOM 0 HB2 ALA A 1 2.797 1.470 -1.321 1.00 4.33 H new ATOM 0 HB3 ALA A 1 4.338 0.617 -1.571 1.00 4.33 H new ATOM 11 N ILE A 2 2.804 -2.357 -2.581 1.00 63.34 N ATOM 12 CA ILE A 2 3.265 -3.591 -3.207 1.00 2.33 C ATOM 13 C ILE A 2 4.542 -3.358 -4.007 1.00 2.51 C ATOM 14 O ILE A 2 5.085 -2.253 -4.021 1.00 50.22 O ATOM 15 CB ILE A 2 2.191 -4.186 -4.137 1.00 4.23 C ATOM 16 CG1 ILE A 2 1.990 -3.288 -5.359 1.00 15.41 C ATOM 17 CG2 ILE A 2 0.882 -4.368 -3.385 1.00 34.43 C ATOM 18 CD1 ILE A 2 0.946 -3.806 -6.324 1.00 2.32 C ATOM 0 H ILE A 2 2.082 -1.863 -3.104 1.00 63.34 H new ATOM 0 HA ILE A 2 3.468 -4.297 -2.401 1.00 2.33 H new ATOM 0 HB ILE A 2 2.529 -5.164 -4.480 1.00 4.23 H new ATOM 0 HG12 ILE A 2 1.701 -2.292 -5.024 1.00 15.41 H new ATOM 0 HG13 ILE A 2 2.939 -3.185 -5.884 1.00 15.41 H new ATOM 0 HG21 ILE A 2 0.133 -4.789 -4.055 1.00 34.43 H new ATOM 0 HG22 ILE A 2 1.037 -5.043 -2.543 1.00 34.43 H new ATOM 0 HG23 ILE A 2 0.537 -3.402 -3.016 1.00 34.43 H new ATOM 0 HD11 ILE A 2 0.856 -3.120 -7.166 1.00 2.32 H new ATOM 0 HD12 ILE A 2 1.243 -4.790 -6.688 1.00 2.32 H new ATOM 0 HD13 ILE A 2 -0.014 -3.882 -5.814 1.00 2.32 H new ATOM 30 N SER A 3 5.016 -4.405 -4.674 1.00 31.34 N ATOM 31 CA SER A 3 6.231 -4.316 -5.475 1.00 54.34 C ATOM 32 C SER A 3 5.894 -4.163 -6.956 1.00 24.42 C ATOM 33 O SER A 3 5.377 -5.087 -7.585 1.00 40.22 O ATOM 34 CB SER A 3 7.100 -5.557 -5.263 1.00 52.42 C ATOM 35 OG SER A 3 7.240 -5.852 -3.884 1.00 53.42 O ATOM 0 H SER A 3 4.577 -5.326 -4.676 1.00 31.34 H new ATOM 0 HA SER A 3 6.786 -3.435 -5.153 1.00 54.34 H new ATOM 0 HB2 SER A 3 6.655 -6.409 -5.777 1.00 52.42 H new ATOM 0 HB3 SER A 3 8.083 -5.396 -5.705 1.00 52.42 H new ATOM 0 HG SER A 3 7.798 -6.650 -3.775 1.00 53.42 H new ATOM 41 N CYS A 4 6.192 -2.991 -7.506 1.00 70.10 N ATOM 42 CA CYS A 4 5.922 -2.715 -8.912 1.00 31.02 C ATOM 43 C CYS A 4 6.500 -3.811 -9.802 1.00 71.32 C ATOM 44 O CYS A 4 5.860 -4.253 -10.756 1.00 43.40 O ATOM 45 CB CYS A 4 6.508 -1.359 -9.309 1.00 10.45 C ATOM 46 SG CYS A 4 5.753 -0.629 -10.797 1.00 61.34 S ATOM 0 H CYS A 4 6.621 -2.217 -6.999 1.00 70.10 H new ATOM 0 HA CYS A 4 4.841 -2.691 -9.051 1.00 31.02 H new ATOM 0 HB2 CYS A 4 6.388 -0.666 -8.476 1.00 10.45 H new ATOM 0 HB3 CYS A 4 7.579 -1.473 -9.477 1.00 10.45 H new ATOM 51 N GLY A 5 7.715 -4.247 -9.483 1.00 10.44 N ATOM 52 CA GLY A 5 8.359 -5.287 -10.262 1.00 60.35 C ATOM 53 C GLY A 5 7.512 -6.540 -10.369 1.00 42.12 C ATOM 54 O GLY A 5 7.612 -7.283 -11.345 1.00 33.21 O ATOM 0 H GLY A 5 8.265 -3.898 -8.698 1.00 10.44 H new ATOM 0 HA2 GLY A 5 8.571 -4.909 -11.262 1.00 60.35 H new ATOM 0 HA3 GLY A 5 9.317 -5.538 -9.806 1.00 60.35 H new ATOM 58 N ALA A 6 6.678 -6.776 -9.362 1.00 55.42 N ATOM 59 CA ALA A 6 5.810 -7.947 -9.347 1.00 51.32 C ATOM 60 C ALA A 6 4.518 -7.683 -10.113 1.00 50.31 C ATOM 61 O ALA A 6 3.848 -8.614 -10.559 1.00 54.24 O ATOM 62 CB ALA A 6 5.502 -8.357 -7.915 1.00 20.22 C ATOM 0 H ALA A 6 6.585 -6.172 -8.546 1.00 55.42 H new ATOM 0 HA ALA A 6 6.335 -8.764 -9.843 1.00 51.32 H new ATOM 0 HB1 ALA A 6 4.853 -9.233 -7.919 1.00 20.22 H new ATOM 0 HB2 ALA A 6 6.431 -8.596 -7.397 1.00 20.22 H new ATOM 0 HB3 ALA A 6 5.001 -7.536 -7.401 1.00 20.22 H new ATOM 68 N VAL A 7 4.173 -6.407 -10.262 1.00 25.45 N ATOM 69 CA VAL A 7 2.962 -6.021 -10.974 1.00 54.20 C ATOM 70 C VAL A 7 3.061 -6.368 -12.455 1.00 54.32 C ATOM 71 O VAL A 7 2.184 -7.033 -13.009 1.00 44.32 O ATOM 72 CB VAL A 7 2.682 -4.513 -10.829 1.00 32.23 C ATOM 73 CG1 VAL A 7 1.358 -4.150 -11.484 1.00 31.13 C ATOM 74 CG2 VAL A 7 2.689 -4.109 -9.362 1.00 70.40 C ATOM 0 H VAL A 7 4.716 -5.624 -9.899 1.00 25.45 H new ATOM 0 HA VAL A 7 2.140 -6.580 -10.527 1.00 54.20 H new ATOM 0 HB VAL A 7 3.474 -3.963 -11.338 1.00 32.23 H new ATOM 0 HG11 VAL A 7 1.177 -3.081 -11.371 1.00 31.13 H new ATOM 0 HG12 VAL A 7 1.395 -4.402 -12.544 1.00 31.13 H new ATOM 0 HG13 VAL A 7 0.551 -4.706 -11.007 1.00 31.13 H new ATOM 0 HG21 VAL A 7 2.490 -3.041 -9.278 1.00 70.40 H new ATOM 0 HG22 VAL A 7 1.919 -4.665 -8.828 1.00 70.40 H new ATOM 0 HG23 VAL A 7 3.664 -4.331 -8.928 1.00 70.40 H new ATOM 84 N THR A 8 4.135 -5.913 -13.093 1.00 72.34 N ATOM 85 CA THR A 8 4.349 -6.175 -14.511 1.00 40.41 C ATOM 86 C THR A 8 4.793 -7.614 -14.744 1.00 24.12 C ATOM 87 O THR A 8 4.413 -8.239 -15.734 1.00 13.03 O ATOM 88 CB THR A 8 5.403 -5.221 -15.105 1.00 23.40 C ATOM 89 OG1 THR A 8 6.682 -5.474 -14.511 1.00 53.32 O ATOM 90 CG2 THR A 8 5.010 -3.770 -14.877 1.00 1.33 C ATOM 0 H THR A 8 4.870 -5.361 -12.650 1.00 72.34 H new ATOM 0 HA THR A 8 3.395 -6.008 -15.011 1.00 40.41 H new ATOM 0 HB THR A 8 5.459 -5.400 -16.179 1.00 23.40 H new ATOM 0 HG1 THR A 8 7.347 -4.865 -14.895 1.00 53.32 H new ATOM 0 HG21 THR A 8 5.769 -3.116 -15.305 1.00 1.33 H new ATOM 0 HG22 THR A 8 4.050 -3.574 -15.355 1.00 1.33 H new ATOM 0 HG23 THR A 8 4.928 -3.579 -13.807 1.00 1.33 H new ATOM 98 N SER A 9 5.601 -8.135 -13.825 1.00 73.24 N ATOM 99 CA SER A 9 6.100 -9.501 -13.933 1.00 34.23 C ATOM 100 C SER A 9 4.946 -10.499 -13.979 1.00 41.33 C ATOM 101 O SER A 9 4.965 -11.450 -14.760 1.00 72.14 O ATOM 102 CB SER A 9 7.021 -9.824 -12.755 1.00 32.13 C ATOM 103 OG SER A 9 8.354 -9.429 -13.027 1.00 22.02 O ATOM 0 H SER A 9 5.923 -7.632 -12.998 1.00 73.24 H new ATOM 0 HA SER A 9 6.666 -9.583 -14.861 1.00 34.23 H new ATOM 0 HB2 SER A 9 6.663 -9.316 -11.860 1.00 32.13 H new ATOM 0 HB3 SER A 9 6.990 -10.894 -12.548 1.00 32.13 H new ATOM 0 HG SER A 9 8.553 -8.597 -12.549 1.00 22.02 H new ATOM 109 N ASP A 10 3.944 -10.274 -13.137 1.00 54.32 N ATOM 110 CA ASP A 10 2.780 -11.151 -13.082 1.00 21.23 C ATOM 111 C ASP A 10 2.097 -11.235 -14.443 1.00 63.03 C ATOM 112 O ASP A 10 1.397 -12.204 -14.740 1.00 64.22 O ATOM 113 CB ASP A 10 1.788 -10.652 -12.030 1.00 22.43 C ATOM 114 CG ASP A 10 2.264 -10.916 -10.615 1.00 33.24 C ATOM 115 OD1 ASP A 10 3.022 -11.888 -10.415 1.00 23.23 O ATOM 116 OD2 ASP A 10 1.878 -10.150 -9.707 1.00 61.21 O ATOM 0 H ASP A 10 3.914 -9.492 -12.483 1.00 54.32 H new ATOM 0 HA ASP A 10 3.121 -12.149 -12.805 1.00 21.23 H new ATOM 0 HB2 ASP A 10 1.629 -9.582 -12.163 1.00 22.43 H new ATOM 0 HB3 ASP A 10 0.825 -11.139 -12.183 1.00 22.43 H new ATOM 121 N LEU A 11 2.304 -10.214 -15.267 1.00 2.51 N ATOM 122 CA LEU A 11 1.708 -10.171 -16.598 1.00 12.34 C ATOM 123 C LEU A 11 2.724 -10.568 -17.663 1.00 63.40 C ATOM 124 O LEU A 11 2.530 -10.304 -18.850 1.00 23.44 O ATOM 125 CB LEU A 11 1.166 -8.770 -16.891 1.00 24.35 C ATOM 126 CG LEU A 11 -0.126 -8.386 -16.170 1.00 75.21 C ATOM 127 CD1 LEU A 11 -0.631 -7.038 -16.661 1.00 23.02 C ATOM 128 CD2 LEU A 11 -1.187 -9.459 -16.370 1.00 30.15 C ATOM 0 H LEU A 11 2.880 -9.404 -15.037 1.00 2.51 H new ATOM 0 HA LEU A 11 0.885 -10.885 -16.623 1.00 12.34 H new ATOM 0 HB2 LEU A 11 1.935 -8.043 -16.629 1.00 24.35 H new ATOM 0 HB3 LEU A 11 0.999 -8.684 -17.965 1.00 24.35 H new ATOM 0 HG LEU A 11 0.086 -8.306 -15.104 1.00 75.21 H new ATOM 0 HD11 LEU A 11 -1.551 -6.781 -16.137 1.00 23.02 H new ATOM 0 HD12 LEU A 11 0.122 -6.275 -16.467 1.00 23.02 H new ATOM 0 HD13 LEU A 11 -0.826 -7.091 -17.732 1.00 23.02 H new ATOM 0 HD21 LEU A 11 -2.100 -9.169 -15.850 1.00 30.15 H new ATOM 0 HD22 LEU A 11 -1.395 -9.571 -17.434 1.00 30.15 H new ATOM 0 HD23 LEU A 11 -0.826 -10.406 -15.969 1.00 30.15 H new ATOM 140 N SER A 12 3.807 -11.207 -17.231 1.00 43.23 N ATOM 141 CA SER A 12 4.855 -11.640 -18.148 1.00 25.02 C ATOM 142 C SER A 12 4.280 -12.516 -19.256 1.00 72.23 C ATOM 143 O SER A 12 4.379 -12.205 -20.443 1.00 52.13 O ATOM 144 CB SER A 12 5.941 -12.405 -17.389 1.00 63.52 C ATOM 145 OG SER A 12 6.463 -13.463 -18.175 1.00 4.11 O ATOM 0 H SER A 12 3.981 -11.436 -16.252 1.00 43.23 H new ATOM 0 HA SER A 12 5.295 -10.753 -18.603 1.00 25.02 H new ATOM 0 HB2 SER A 12 6.745 -11.723 -17.112 1.00 63.52 H new ATOM 0 HB3 SER A 12 5.529 -12.805 -16.463 1.00 63.52 H new ATOM 0 HG SER A 12 7.156 -13.936 -17.669 1.00 4.11 H new ATOM 151 N PRO A 13 3.663 -13.640 -18.861 1.00 1.20 N ATOM 152 CA PRO A 13 3.058 -14.585 -19.805 1.00 5.25 C ATOM 153 C PRO A 13 1.810 -14.018 -20.473 1.00 24.32 C ATOM 154 O PRO A 13 1.327 -14.559 -21.468 1.00 41.32 O ATOM 155 CB PRO A 13 2.696 -15.783 -18.923 1.00 42.14 C ATOM 156 CG PRO A 13 2.530 -15.212 -17.557 1.00 71.14 C ATOM 157 CD PRO A 13 3.508 -14.074 -17.462 1.00 50.14 C ATOM 0 HA PRO A 13 3.732 -14.830 -20.626 1.00 5.25 H new ATOM 0 HB2 PRO A 13 1.779 -16.264 -19.265 1.00 42.14 H new ATOM 0 HB3 PRO A 13 3.480 -16.540 -18.943 1.00 42.14 H new ATOM 0 HG2 PRO A 13 1.509 -14.863 -17.401 1.00 71.14 H new ATOM 0 HG3 PRO A 13 2.730 -15.963 -16.793 1.00 71.14 H new ATOM 0 HD2 PRO A 13 3.129 -13.270 -16.831 1.00 50.14 H new ATOM 0 HD3 PRO A 13 4.457 -14.395 -17.033 1.00 50.14 H new ATOM 165 N CYS A 14 1.293 -12.926 -19.920 1.00 33.50 N ATOM 166 CA CYS A 14 0.101 -12.286 -20.462 1.00 54.01 C ATOM 167 C CYS A 14 0.471 -11.268 -21.537 1.00 1.13 C ATOM 168 O CYS A 14 -0.316 -10.990 -22.442 1.00 73.04 O ATOM 169 CB CYS A 14 -0.688 -11.600 -19.345 1.00 33.32 C ATOM 170 SG CYS A 14 -1.234 -12.726 -18.021 1.00 22.42 S ATOM 0 H CYS A 14 1.681 -12.466 -19.097 1.00 33.50 H new ATOM 0 HA CYS A 14 -0.521 -13.058 -20.916 1.00 54.01 H new ATOM 0 HB2 CYS A 14 -0.071 -10.815 -18.908 1.00 33.32 H new ATOM 0 HB3 CYS A 14 -1.563 -11.114 -19.778 1.00 33.32 H new ATOM 175 N LEU A 15 1.674 -10.715 -21.430 1.00 63.12 N ATOM 176 CA LEU A 15 2.151 -9.728 -22.393 1.00 14.34 C ATOM 177 C LEU A 15 1.853 -10.172 -23.821 1.00 54.31 C ATOM 178 O LEU A 15 1.470 -9.363 -24.668 1.00 25.22 O ATOM 179 CB LEU A 15 3.654 -9.502 -22.220 1.00 14.33 C ATOM 180 CG LEU A 15 4.193 -8.161 -22.720 1.00 72.21 C ATOM 181 CD1 LEU A 15 3.460 -7.008 -22.052 1.00 73.23 C ATOM 182 CD2 LEU A 15 5.690 -8.061 -22.468 1.00 61.01 C ATOM 0 H LEU A 15 2.337 -10.933 -20.686 1.00 63.12 H new ATOM 0 HA LEU A 15 1.625 -8.792 -22.206 1.00 14.34 H new ATOM 0 HB2 LEU A 15 3.896 -9.596 -21.161 1.00 14.33 H new ATOM 0 HB3 LEU A 15 4.183 -10.300 -22.740 1.00 14.33 H new ATOM 0 HG LEU A 15 4.021 -8.100 -23.795 1.00 72.21 H new ATOM 0 HD11 LEU A 15 3.857 -6.062 -22.420 1.00 73.23 H new ATOM 0 HD12 LEU A 15 2.397 -7.070 -22.284 1.00 73.23 H new ATOM 0 HD13 LEU A 15 3.600 -7.065 -20.973 1.00 73.23 H new ATOM 0 HD21 LEU A 15 6.057 -7.100 -22.830 1.00 61.01 H new ATOM 0 HD22 LEU A 15 5.885 -8.144 -21.399 1.00 61.01 H new ATOM 0 HD23 LEU A 15 6.202 -8.866 -22.994 1.00 61.01 H new ATOM 194 N THR A 16 2.028 -11.463 -24.083 1.00 33.43 N ATOM 195 CA THR A 16 1.777 -12.016 -25.408 1.00 12.22 C ATOM 196 C THR A 16 0.352 -11.723 -25.865 1.00 22.34 C ATOM 197 O THR A 16 0.138 -10.986 -26.827 1.00 14.32 O ATOM 198 CB THR A 16 2.010 -13.538 -25.435 1.00 63.13 C ATOM 199 OG1 THR A 16 3.377 -13.830 -25.122 1.00 13.11 O ATOM 200 CG2 THR A 16 1.663 -14.114 -26.800 1.00 25.22 C ATOM 0 H THR A 16 2.343 -12.146 -23.394 1.00 33.43 H new ATOM 0 HA THR A 16 2.480 -11.536 -26.089 1.00 12.22 H new ATOM 0 HB THR A 16 1.361 -13.996 -24.689 1.00 63.13 H new ATOM 0 HG1 THR A 16 3.517 -14.800 -25.140 1.00 13.11 H new ATOM 0 HG21 THR A 16 1.835 -15.190 -26.795 1.00 25.22 H new ATOM 0 HG22 THR A 16 0.615 -13.915 -27.023 1.00 25.22 H new ATOM 0 HG23 THR A 16 2.290 -13.649 -27.561 1.00 25.22 H new ATOM 208 N TYR A 17 -0.618 -12.305 -25.169 1.00 33.03 N ATOM 209 CA TYR A 17 -2.023 -12.108 -25.504 1.00 54.25 C ATOM 210 C TYR A 17 -2.405 -10.634 -25.406 1.00 53.03 C ATOM 211 O TYR A 17 -3.265 -10.152 -26.146 1.00 25.22 O ATOM 212 CB TYR A 17 -2.912 -12.939 -24.578 1.00 74.32 C ATOM 213 CG TYR A 17 -4.382 -12.600 -24.684 1.00 1.32 C ATOM 214 CD1 TYR A 17 -5.111 -12.929 -25.820 1.00 11.11 C ATOM 215 CD2 TYR A 17 -5.041 -11.949 -23.648 1.00 51.13 C ATOM 216 CE1 TYR A 17 -6.454 -12.620 -25.921 1.00 62.03 C ATOM 217 CE2 TYR A 17 -6.384 -11.637 -23.740 1.00 62.43 C ATOM 218 CZ TYR A 17 -7.086 -11.975 -24.879 1.00 3.22 C ATOM 219 OH TYR A 17 -8.423 -11.665 -24.975 1.00 20.01 O ATOM 0 H TYR A 17 -0.457 -12.917 -24.369 1.00 33.03 H new ATOM 0 HA TYR A 17 -2.174 -12.437 -26.532 1.00 54.25 H new ATOM 0 HB2 TYR A 17 -2.774 -13.996 -24.808 1.00 74.32 H new ATOM 0 HB3 TYR A 17 -2.587 -12.792 -23.548 1.00 74.32 H new ATOM 0 HD1 TYR A 17 -4.620 -13.435 -26.638 1.00 11.11 H new ATOM 0 HD2 TYR A 17 -4.494 -11.682 -22.756 1.00 51.13 H new ATOM 0 HE1 TYR A 17 -7.006 -12.882 -26.812 1.00 62.03 H new ATOM 0 HE2 TYR A 17 -6.881 -11.132 -22.925 1.00 62.43 H new ATOM 0 HH TYR A 17 -8.562 -11.042 -25.719 1.00 20.01 H new ATOM 229 N LEU A 18 -1.760 -9.923 -24.488 1.00 53.44 N ATOM 230 CA LEU A 18 -2.030 -8.502 -24.292 1.00 72.51 C ATOM 231 C LEU A 18 -1.477 -7.678 -25.450 1.00 10.11 C ATOM 232 O LEU A 18 -1.956 -6.578 -25.728 1.00 43.21 O ATOM 233 CB LEU A 18 -1.420 -8.025 -22.973 1.00 42.33 C ATOM 234 CG LEU A 18 -2.086 -8.543 -21.699 1.00 32.25 C ATOM 235 CD1 LEU A 18 -1.422 -7.945 -20.468 1.00 14.10 C ATOM 236 CD2 LEU A 18 -3.575 -8.229 -21.709 1.00 71.24 C ATOM 0 H LEU A 18 -1.047 -10.306 -23.868 1.00 53.44 H new ATOM 0 HA LEU A 18 -3.111 -8.363 -24.256 1.00 72.51 H new ATOM 0 HB2 LEU A 18 -0.370 -8.317 -22.955 1.00 42.33 H new ATOM 0 HB3 LEU A 18 -1.448 -6.935 -22.956 1.00 42.33 H new ATOM 0 HG LEU A 18 -1.964 -9.626 -21.663 1.00 32.25 H new ATOM 0 HD11 LEU A 18 -1.910 -8.325 -19.571 1.00 14.10 H new ATOM 0 HD12 LEU A 18 -0.368 -8.221 -20.453 1.00 14.10 H new ATOM 0 HD13 LEU A 18 -1.512 -6.859 -20.497 1.00 14.10 H new ATOM 0 HD21 LEU A 18 -4.032 -8.605 -20.794 1.00 71.24 H new ATOM 0 HD22 LEU A 18 -3.719 -7.150 -21.769 1.00 71.24 H new ATOM 0 HD23 LEU A 18 -4.042 -8.706 -22.571 1.00 71.24 H new ATOM 248 N THR A 19 -0.466 -8.218 -26.124 1.00 54.45 N ATOM 249 CA THR A 19 0.151 -7.533 -27.253 1.00 5.10 C ATOM 250 C THR A 19 -0.457 -7.991 -28.574 1.00 3.43 C ATOM 251 O THR A 19 0.179 -7.905 -29.624 1.00 33.14 O ATOM 252 CB THR A 19 1.673 -7.773 -27.291 1.00 14.50 C ATOM 253 OG1 THR A 19 1.949 -9.176 -27.233 1.00 60.34 O ATOM 254 CG2 THR A 19 2.361 -7.067 -26.132 1.00 34.10 C ATOM 0 H THR A 19 -0.057 -9.127 -25.908 1.00 54.45 H new ATOM 0 HA THR A 19 -0.039 -6.468 -27.119 1.00 5.10 H new ATOM 0 HB THR A 19 2.060 -7.366 -28.225 1.00 14.50 H new ATOM 0 HG1 THR A 19 1.141 -9.678 -27.469 1.00 60.34 H new ATOM 0 HG21 THR A 19 3.434 -7.251 -26.180 1.00 34.10 H new ATOM 0 HG22 THR A 19 2.173 -5.995 -26.196 1.00 34.10 H new ATOM 0 HG23 THR A 19 1.969 -7.449 -25.189 1.00 34.10 H new ATOM 262 N GLY A 20 -1.693 -8.477 -28.514 1.00 0.31 N ATOM 263 CA GLY A 20 -2.367 -8.940 -29.713 1.00 25.31 C ATOM 264 C GLY A 20 -2.132 -10.414 -29.976 1.00 71.54 C ATOM 265 O GLY A 20 -2.735 -10.995 -30.879 1.00 4.54 O ATOM 0 H GLY A 20 -2.240 -8.558 -27.657 1.00 0.31 H new ATOM 0 HA2 GLY A 20 -3.437 -8.757 -29.618 1.00 25.31 H new ATOM 0 HA3 GLY A 20 -2.019 -8.361 -30.569 1.00 25.31 H new ATOM 269 N GLY A 21 -1.252 -11.023 -29.187 1.00 1.21 N ATOM 270 CA GLY A 21 -0.953 -12.433 -29.357 1.00 14.23 C ATOM 271 C GLY A 21 -2.116 -13.323 -28.966 1.00 13.25 C ATOM 272 O GLY A 21 -3.164 -12.852 -28.521 1.00 23.40 O ATOM 0 H GLY A 21 -0.741 -10.565 -28.433 1.00 1.21 H new ATOM 0 HA2 GLY A 21 -0.688 -12.622 -30.397 1.00 14.23 H new ATOM 0 HA3 GLY A 21 -0.083 -12.692 -28.754 1.00 14.23 H new ATOM 276 N PRO A 22 -1.939 -14.642 -29.132 1.00 53.15 N ATOM 277 CA PRO A 22 -2.972 -15.627 -28.801 1.00 35.44 C ATOM 278 C PRO A 22 -3.197 -15.749 -27.297 1.00 44.52 C ATOM 279 O PRO A 22 -2.281 -15.533 -26.504 1.00 33.10 O ATOM 280 CB PRO A 22 -2.410 -16.935 -29.364 1.00 42.44 C ATOM 281 CG PRO A 22 -0.934 -16.735 -29.382 1.00 64.13 C ATOM 282 CD PRO A 22 -0.717 -15.273 -29.657 1.00 43.35 C ATOM 0 HA PRO A 22 -3.943 -15.352 -29.213 1.00 35.44 H new ATOM 0 HB2 PRO A 22 -2.687 -17.786 -28.741 1.00 42.44 H new ATOM 0 HB3 PRO A 22 -2.795 -17.134 -30.364 1.00 42.44 H new ATOM 0 HG2 PRO A 22 -0.490 -17.023 -28.429 1.00 64.13 H new ATOM 0 HG3 PRO A 22 -0.466 -17.350 -30.151 1.00 64.13 H new ATOM 0 HD2 PRO A 22 0.176 -14.898 -29.156 1.00 43.35 H new ATOM 0 HD3 PRO A 22 -0.590 -15.079 -30.722 1.00 43.35 H new ATOM 290 N GLY A 23 -4.421 -16.095 -26.912 1.00 30.52 N ATOM 291 CA GLY A 23 -4.743 -16.240 -25.504 1.00 43.51 C ATOM 292 C GLY A 23 -6.165 -15.820 -25.188 1.00 63.15 C ATOM 293 O GLY A 23 -7.024 -15.752 -26.067 1.00 52.14 O ATOM 0 H GLY A 23 -5.196 -16.278 -27.550 1.00 30.52 H new ATOM 0 HA2 GLY A 23 -4.600 -17.279 -25.207 1.00 43.51 H new ATOM 0 HA3 GLY A 23 -4.051 -15.641 -24.913 1.00 43.51 H new ATOM 297 N PRO A 24 -6.430 -15.532 -23.906 1.00 2.43 N ATOM 298 CA PRO A 24 -5.415 -15.610 -22.851 1.00 10.33 C ATOM 299 C PRO A 24 -5.006 -17.047 -22.545 1.00 40.51 C ATOM 300 O PRO A 24 -5.855 -17.911 -22.329 1.00 71.24 O ATOM 301 CB PRO A 24 -6.112 -14.983 -21.641 1.00 35.44 C ATOM 302 CG PRO A 24 -7.566 -15.186 -21.895 1.00 14.53 C ATOM 303 CD PRO A 24 -7.741 -15.107 -23.386 1.00 62.42 C ATOM 0 HA PRO A 24 -4.491 -15.106 -23.136 1.00 10.33 H new ATOM 0 HB2 PRO A 24 -5.801 -15.462 -20.713 1.00 35.44 H new ATOM 0 HB3 PRO A 24 -5.870 -13.924 -21.549 1.00 35.44 H new ATOM 0 HG2 PRO A 24 -7.898 -16.152 -21.514 1.00 14.53 H new ATOM 0 HG3 PRO A 24 -8.160 -14.424 -21.391 1.00 14.53 H new ATOM 0 HD2 PRO A 24 -8.542 -15.761 -23.732 1.00 62.42 H new ATOM 0 HD3 PRO A 24 -7.993 -14.097 -23.708 1.00 62.42 H new ATOM 311 N SER A 25 -3.700 -17.294 -22.528 1.00 32.33 N ATOM 312 CA SER A 25 -3.179 -18.628 -22.252 1.00 2.25 C ATOM 313 C SER A 25 -3.488 -19.046 -20.817 1.00 42.41 C ATOM 314 O SER A 25 -3.828 -18.226 -19.964 1.00 42.51 O ATOM 315 CB SER A 25 -1.668 -18.668 -22.492 1.00 55.23 C ATOM 316 OG SER A 25 -1.083 -17.397 -22.269 1.00 43.15 O ATOM 0 H SER A 25 -2.984 -16.589 -22.702 1.00 32.33 H new ATOM 0 HA SER A 25 -3.667 -19.329 -22.930 1.00 2.25 H new ATOM 0 HB2 SER A 25 -1.211 -19.404 -21.830 1.00 55.23 H new ATOM 0 HB3 SER A 25 -1.467 -18.990 -23.514 1.00 55.23 H new ATOM 0 HG SER A 25 -0.117 -17.449 -22.427 1.00 43.15 H new ATOM 322 N PRO A 26 -3.367 -20.353 -20.544 1.00 32.24 N ATOM 323 CA PRO A 26 -3.628 -20.911 -19.213 1.00 73.04 C ATOM 324 C PRO A 26 -2.571 -20.500 -18.195 1.00 23.33 C ATOM 325 O PRO A 26 -2.859 -20.374 -17.005 1.00 2.11 O ATOM 326 CB PRO A 26 -3.586 -22.423 -19.448 1.00 61.03 C ATOM 327 CG PRO A 26 -2.722 -22.596 -20.650 1.00 55.40 C ATOM 328 CD PRO A 26 -2.966 -21.388 -21.512 1.00 11.42 C ATOM 0 HA PRO A 26 -4.572 -20.556 -18.800 1.00 73.04 H new ATOM 0 HB2 PRO A 26 -3.174 -22.946 -18.585 1.00 61.03 H new ATOM 0 HB3 PRO A 26 -4.585 -22.825 -19.617 1.00 61.03 H new ATOM 0 HG2 PRO A 26 -1.672 -22.669 -20.368 1.00 55.40 H new ATOM 0 HG3 PRO A 26 -2.974 -23.513 -21.183 1.00 55.40 H new ATOM 0 HD2 PRO A 26 -2.070 -21.099 -22.061 1.00 11.42 H new ATOM 0 HD3 PRO A 26 -3.747 -21.572 -22.250 1.00 11.42 H new ATOM 336 N GLN A 27 -1.347 -20.293 -18.670 1.00 22.21 N ATOM 337 CA GLN A 27 -0.247 -19.897 -17.799 1.00 3.31 C ATOM 338 C GLN A 27 -0.350 -18.421 -17.429 1.00 44.34 C ATOM 339 O GLN A 27 0.100 -18.004 -16.361 1.00 72.42 O ATOM 340 CB GLN A 27 1.095 -20.172 -18.480 1.00 2.13 C ATOM 341 CG GLN A 27 1.269 -21.616 -18.921 1.00 31.33 C ATOM 342 CD GLN A 27 2.543 -21.836 -19.712 1.00 51.45 C ATOM 343 OE1 GLN A 27 3.427 -22.584 -19.294 1.00 34.11 O ATOM 344 NE2 GLN A 27 2.644 -21.182 -20.864 1.00 64.41 N ATOM 0 H GLN A 27 -1.092 -20.393 -19.653 1.00 22.21 H new ATOM 0 HA GLN A 27 -0.310 -20.487 -16.885 1.00 3.31 H new ATOM 0 HB2 GLN A 27 1.192 -19.521 -19.349 1.00 2.13 H new ATOM 0 HB3 GLN A 27 1.901 -19.911 -17.794 1.00 2.13 H new ATOM 0 HG2 GLN A 27 1.275 -22.262 -18.043 1.00 31.33 H new ATOM 0 HG3 GLN A 27 0.413 -21.912 -19.528 1.00 31.33 H new ATOM 0 HE21 GLN A 27 1.887 -20.572 -21.172 1.00 64.41 H new ATOM 0 HE22 GLN A 27 3.479 -21.290 -21.440 1.00 64.41 H new ATOM 353 N CYS A 28 -0.944 -17.633 -18.320 1.00 23.04 N ATOM 354 CA CYS A 28 -1.105 -16.203 -18.088 1.00 54.34 C ATOM 355 C CYS A 28 -2.165 -15.940 -17.022 1.00 25.54 C ATOM 356 O CYS A 28 -1.928 -15.203 -16.064 1.00 71.02 O ATOM 357 CB CYS A 28 -1.490 -15.495 -19.389 1.00 42.11 C ATOM 358 SG CYS A 28 -2.481 -13.985 -19.149 1.00 61.43 S ATOM 0 H CYS A 28 -1.321 -17.961 -19.209 1.00 23.04 H new ATOM 0 HA CYS A 28 -0.153 -15.809 -17.734 1.00 54.34 H new ATOM 0 HB2 CYS A 28 -0.581 -15.238 -19.933 1.00 42.11 H new ATOM 0 HB3 CYS A 28 -2.051 -16.189 -20.016 1.00 42.11 H new ATOM 363 N CYS A 29 -3.333 -16.550 -17.194 1.00 1.55 N ATOM 364 CA CYS A 29 -4.429 -16.383 -16.247 1.00 72.01 C ATOM 365 C CYS A 29 -3.956 -16.631 -14.818 1.00 33.24 C ATOM 366 O CYS A 29 -4.420 -15.986 -13.878 1.00 61.23 O ATOM 367 CB CYS A 29 -5.576 -17.337 -16.590 1.00 4.45 C ATOM 368 SG CYS A 29 -6.643 -16.759 -17.948 1.00 64.04 S ATOM 0 H CYS A 29 -3.545 -17.164 -17.980 1.00 1.55 H new ATOM 0 HA CYS A 29 -4.786 -15.356 -16.319 1.00 72.01 H new ATOM 0 HB2 CYS A 29 -5.159 -18.308 -16.858 1.00 4.45 H new ATOM 0 HB3 CYS A 29 -6.188 -17.487 -15.700 1.00 4.45 H new ATOM 373 N GLY A 30 -3.029 -17.572 -14.662 1.00 12.44 N ATOM 374 CA GLY A 30 -2.509 -17.889 -13.345 1.00 5.33 C ATOM 375 C GLY A 30 -1.958 -16.670 -12.630 1.00 71.41 C ATOM 376 O GLY A 30 -2.171 -16.497 -11.431 1.00 1.41 O ATOM 0 H GLY A 30 -2.629 -18.120 -15.424 1.00 12.44 H new ATOM 0 HA2 GLY A 30 -3.301 -18.333 -12.742 1.00 5.33 H new ATOM 0 HA3 GLY A 30 -1.722 -18.638 -13.439 1.00 5.33 H new ATOM 380 N GLY A 31 -1.246 -15.824 -13.368 1.00 70.34 N ATOM 381 CA GLY A 31 -0.673 -14.628 -12.780 1.00 42.14 C ATOM 382 C GLY A 31 -1.708 -13.546 -12.541 1.00 64.34 C ATOM 383 O GLY A 31 -1.712 -12.901 -11.493 1.00 25.42 O ATOM 0 H GLY A 31 -1.056 -15.946 -14.363 1.00 70.34 H new ATOM 0 HA2 GLY A 31 -0.195 -14.885 -11.834 1.00 42.14 H new ATOM 0 HA3 GLY A 31 0.107 -14.242 -13.436 1.00 42.14 H new ATOM 387 N VAL A 32 -2.587 -13.345 -13.517 1.00 75.23 N ATOM 388 CA VAL A 32 -3.632 -12.334 -13.409 1.00 2.44 C ATOM 389 C VAL A 32 -4.400 -12.475 -12.100 1.00 31.35 C ATOM 390 O VAL A 32 -4.660 -11.490 -11.409 1.00 42.40 O ATOM 391 CB VAL A 32 -4.623 -12.421 -14.585 1.00 25.13 C ATOM 392 CG1 VAL A 32 -5.712 -11.368 -14.445 1.00 65.32 C ATOM 393 CG2 VAL A 32 -3.891 -12.271 -15.910 1.00 4.43 C ATOM 0 H VAL A 32 -2.596 -13.869 -14.392 1.00 75.23 H new ATOM 0 HA VAL A 32 -3.136 -11.364 -13.433 1.00 2.44 H new ATOM 0 HB VAL A 32 -5.097 -13.403 -14.567 1.00 25.13 H new ATOM 0 HG11 VAL A 32 -6.403 -11.445 -15.285 1.00 65.32 H new ATOM 0 HG12 VAL A 32 -6.255 -11.527 -13.513 1.00 65.32 H new ATOM 0 HG13 VAL A 32 -5.260 -10.376 -14.437 1.00 65.32 H new ATOM 0 HG21 VAL A 32 -4.606 -12.335 -16.730 1.00 4.43 H new ATOM 0 HG22 VAL A 32 -3.389 -11.304 -15.941 1.00 4.43 H new ATOM 0 HG23 VAL A 32 -3.153 -13.066 -16.010 1.00 4.43 H new ATOM 403 N LYS A 33 -4.761 -13.709 -11.763 1.00 15.34 N ATOM 404 CA LYS A 33 -5.499 -13.982 -10.535 1.00 30.01 C ATOM 405 C LYS A 33 -4.653 -13.656 -9.308 1.00 54.40 C ATOM 406 O LYS A 33 -5.139 -13.057 -8.348 1.00 21.54 O ATOM 407 CB LYS A 33 -5.934 -15.449 -10.492 1.00 44.24 C ATOM 408 CG LYS A 33 -6.766 -15.872 -11.691 1.00 5.43 C ATOM 409 CD LYS A 33 -6.580 -17.346 -12.006 1.00 64.32 C ATOM 410 CE LYS A 33 -7.680 -17.864 -12.920 1.00 42.22 C ATOM 411 NZ LYS A 33 -7.966 -19.306 -12.683 1.00 3.23 N ATOM 0 H LYS A 33 -4.554 -14.536 -12.323 1.00 15.34 H new ATOM 0 HA LYS A 33 -6.384 -13.346 -10.524 1.00 30.01 H new ATOM 0 HB2 LYS A 33 -5.048 -16.081 -10.434 1.00 44.24 H new ATOM 0 HB3 LYS A 33 -6.509 -15.622 -9.582 1.00 44.24 H new ATOM 0 HG2 LYS A 33 -7.819 -15.671 -11.493 1.00 5.43 H new ATOM 0 HG3 LYS A 33 -6.485 -15.275 -12.559 1.00 5.43 H new ATOM 0 HD2 LYS A 33 -5.610 -17.498 -12.480 1.00 64.32 H new ATOM 0 HD3 LYS A 33 -6.576 -17.919 -11.079 1.00 64.32 H new ATOM 0 HE2 LYS A 33 -8.588 -17.283 -12.760 1.00 42.22 H new ATOM 0 HE3 LYS A 33 -7.387 -17.718 -13.960 1.00 42.22 H new ATOM 0 HZ1 LYS A 33 -8.721 -19.620 -13.325 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 -7.106 -19.864 -12.860 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 -8.271 -19.442 -11.698 1.00 3.23 H new ATOM 425 N LYS A 34 -3.385 -14.051 -9.347 1.00 15.11 N ATOM 426 CA LYS A 34 -2.471 -13.798 -8.240 1.00 64.30 C ATOM 427 C LYS A 34 -2.257 -12.301 -8.042 1.00 22.14 C ATOM 428 O LYS A 34 -2.182 -11.819 -6.911 1.00 4.13 O ATOM 429 CB LYS A 34 -1.128 -14.487 -8.494 1.00 44.22 C ATOM 430 CG LYS A 34 -0.081 -14.189 -7.434 1.00 73.12 C ATOM 431 CD LYS A 34 0.877 -15.354 -7.254 1.00 63.22 C ATOM 432 CE LYS A 34 2.224 -14.891 -6.721 1.00 1.44 C ATOM 433 NZ LYS A 34 3.153 -16.032 -6.493 1.00 43.23 N ATOM 0 H LYS A 34 -2.967 -14.548 -10.134 1.00 15.11 H new ATOM 0 HA LYS A 34 -2.917 -14.206 -7.333 1.00 64.30 H new ATOM 0 HB2 LYS A 34 -1.286 -15.564 -8.544 1.00 44.22 H new ATOM 0 HB3 LYS A 34 -0.747 -14.175 -9.467 1.00 44.22 H new ATOM 0 HG2 LYS A 34 0.479 -13.297 -7.715 1.00 73.12 H new ATOM 0 HG3 LYS A 34 -0.573 -13.972 -6.486 1.00 73.12 H new ATOM 0 HD2 LYS A 34 0.443 -16.080 -6.567 1.00 63.22 H new ATOM 0 HD3 LYS A 34 1.017 -15.862 -8.208 1.00 63.22 H new ATOM 0 HE2 LYS A 34 2.673 -14.193 -7.427 1.00 1.44 H new ATOM 0 HE3 LYS A 34 2.078 -14.349 -5.786 1.00 1.44 H new ATOM 0 HZ1 LYS A 34 4.060 -15.674 -6.130 1.00 43.23 H new ATOM 0 HZ2 LYS A 34 2.736 -16.686 -5.800 1.00 43.23 H new ATOM 0 HZ3 LYS A 34 3.313 -16.534 -7.390 1.00 43.23 H new ATOM 447 N LEU A 35 -2.161 -11.570 -9.147 1.00 21.42 N ATOM 448 CA LEU A 35 -1.957 -10.127 -9.094 1.00 54.23 C ATOM 449 C LEU A 35 -3.177 -9.426 -8.504 1.00 70.12 C ATOM 450 O LEU A 35 -3.060 -8.641 -7.562 1.00 51.24 O ATOM 451 CB LEU A 35 -1.669 -9.581 -10.494 1.00 72.30 C ATOM 452 CG LEU A 35 -1.784 -8.066 -10.660 1.00 43.44 C ATOM 453 CD1 LEU A 35 -0.955 -7.349 -9.606 1.00 42.31 C ATOM 454 CD2 LEU A 35 -1.349 -7.648 -12.058 1.00 33.12 C ATOM 0 H LEU A 35 -2.221 -11.953 -10.090 1.00 21.42 H new ATOM 0 HA LEU A 35 -1.100 -9.929 -8.450 1.00 54.23 H new ATOM 0 HB2 LEU A 35 -0.661 -9.882 -10.779 1.00 72.30 H new ATOM 0 HB3 LEU A 35 -2.354 -10.056 -11.196 1.00 72.30 H new ATOM 0 HG LEU A 35 -2.828 -7.783 -10.526 1.00 43.44 H new ATOM 0 HD11 LEU A 35 -1.049 -6.271 -9.740 1.00 42.31 H new ATOM 0 HD12 LEU A 35 -1.312 -7.624 -8.613 1.00 42.31 H new ATOM 0 HD13 LEU A 35 0.091 -7.637 -9.708 1.00 42.31 H new ATOM 0 HD21 LEU A 35 -1.437 -6.566 -12.158 1.00 33.12 H new ATOM 0 HD22 LEU A 35 -0.313 -7.944 -12.220 1.00 33.12 H new ATOM 0 HD23 LEU A 35 -1.985 -8.134 -12.798 1.00 33.12 H new ATOM 466 N LEU A 36 -4.347 -9.716 -9.062 1.00 71.42 N ATOM 467 CA LEU A 36 -5.590 -9.116 -8.590 1.00 1.01 C ATOM 468 C LEU A 36 -5.903 -9.562 -7.165 1.00 73.24 C ATOM 469 O LEU A 36 -6.424 -8.788 -6.362 1.00 63.44 O ATOM 470 CB LEU A 36 -6.746 -9.490 -9.520 1.00 24.14 C ATOM 471 CG LEU A 36 -6.706 -8.877 -10.920 1.00 30.11 C ATOM 472 CD1 LEU A 36 -7.721 -9.554 -11.828 1.00 13.23 C ATOM 473 CD2 LEU A 36 -6.962 -7.379 -10.854 1.00 14.45 C ATOM 0 H LEU A 36 -4.461 -10.363 -9.842 1.00 71.42 H new ATOM 0 HA LEU A 36 -5.466 -8.033 -8.593 1.00 1.01 H new ATOM 0 HB2 LEU A 36 -6.768 -10.575 -9.621 1.00 24.14 H new ATOM 0 HB3 LEU A 36 -7.680 -9.195 -9.042 1.00 24.14 H new ATOM 0 HG LEU A 36 -5.712 -9.037 -11.338 1.00 30.11 H new ATOM 0 HD11 LEU A 36 -7.678 -9.105 -12.820 1.00 13.23 H new ATOM 0 HD12 LEU A 36 -7.492 -10.617 -11.901 1.00 13.23 H new ATOM 0 HD13 LEU A 36 -8.721 -9.426 -11.415 1.00 13.23 H new ATOM 0 HD21 LEU A 36 -6.930 -6.960 -11.860 1.00 14.45 H new ATOM 0 HD22 LEU A 36 -7.943 -7.197 -10.416 1.00 14.45 H new ATOM 0 HD23 LEU A 36 -6.197 -6.906 -10.239 1.00 14.45 H new ATOM 485 N ALA A 37 -5.581 -10.814 -6.859 1.00 22.44 N ATOM 486 CA ALA A 37 -5.824 -11.362 -5.530 1.00 21.21 C ATOM 487 C ALA A 37 -4.985 -10.644 -4.478 1.00 53.11 C ATOM 488 O ALA A 37 -5.325 -10.642 -3.295 1.00 51.54 O ATOM 489 CB ALA A 37 -5.530 -12.855 -5.513 1.00 12.03 C ATOM 0 H ALA A 37 -5.151 -11.468 -7.513 1.00 22.44 H new ATOM 0 HA ALA A 37 -6.875 -11.207 -5.287 1.00 21.21 H new ATOM 0 HB1 ALA A 37 -5.716 -13.251 -4.515 1.00 12.03 H new ATOM 0 HB2 ALA A 37 -6.176 -13.361 -6.230 1.00 12.03 H new ATOM 0 HB3 ALA A 37 -4.487 -13.024 -5.782 1.00 12.03 H new ATOM 495 N ALA A 38 -3.888 -10.036 -4.917 1.00 20.01 N ATOM 496 CA ALA A 38 -3.002 -9.313 -4.013 1.00 63.31 C ATOM 497 C ALA A 38 -3.486 -7.884 -3.796 1.00 42.42 C ATOM 498 O ALA A 38 -3.360 -7.335 -2.702 1.00 45.10 O ATOM 499 CB ALA A 38 -1.580 -9.315 -4.555 1.00 0.30 C ATOM 0 H ALA A 38 -3.592 -10.030 -5.893 1.00 20.01 H new ATOM 0 HA ALA A 38 -3.013 -9.822 -3.049 1.00 63.31 H new ATOM 0 HB1 ALA A 38 -0.929 -8.772 -3.870 1.00 0.30 H new ATOM 0 HB2 ALA A 38 -1.229 -10.342 -4.651 1.00 0.30 H new ATOM 0 HB3 ALA A 38 -1.562 -8.832 -5.532 1.00 0.30 H new ATOM 505 N ALA A 39 -4.040 -7.286 -4.846 1.00 3.30 N ATOM 506 CA ALA A 39 -4.544 -5.920 -4.769 1.00 63.23 C ATOM 507 C ALA A 39 -5.868 -5.865 -4.016 1.00 32.44 C ATOM 508 O ALA A 39 -6.918 -5.612 -4.605 1.00 32.55 O ATOM 509 CB ALA A 39 -4.704 -5.338 -6.166 1.00 15.22 C ATOM 0 H ALA A 39 -4.151 -7.726 -5.760 1.00 3.30 H new ATOM 0 HA ALA A 39 -3.818 -5.321 -4.218 1.00 63.23 H new ATOM 0 HB1 ALA A 39 -5.081 -4.318 -6.094 1.00 15.22 H new ATOM 0 HB2 ALA A 39 -3.738 -5.333 -6.671 1.00 15.22 H new ATOM 0 HB3 ALA A 39 -5.408 -5.946 -6.735 1.00 15.22 H new ATOM 515 N ASN A 40 -5.811 -6.105 -2.709 1.00 42.15 N ATOM 516 CA ASN A 40 -7.007 -6.084 -1.875 1.00 41.03 C ATOM 517 C ASN A 40 -7.106 -4.774 -1.099 1.00 22.41 C ATOM 518 O ASN A 40 -8.098 -4.517 -0.416 1.00 51.05 O ATOM 519 CB ASN A 40 -6.997 -7.266 -0.904 1.00 74.21 C ATOM 520 CG ASN A 40 -8.215 -7.282 -0.001 1.00 33.13 C ATOM 521 OD1 ASN A 40 -8.178 -6.772 1.119 1.00 51.40 O ATOM 522 ND2 ASN A 40 -9.303 -7.870 -0.485 1.00 30.44 N ATOM 0 H ASN A 40 -4.949 -6.316 -2.205 1.00 42.15 H new ATOM 0 HA ASN A 40 -7.877 -6.166 -2.527 1.00 41.03 H new ATOM 0 HB2 ASN A 40 -6.955 -8.197 -1.469 1.00 74.21 H new ATOM 0 HB3 ASN A 40 -6.095 -7.223 -0.293 1.00 74.21 H new ATOM 0 HD21 ASN A 40 -10.153 -7.912 0.077 1.00 30.44 H new ATOM 0 HD22 ASN A 40 -9.289 -8.280 -1.419 1.00 30.44 H new ATOM 529 N THR A 41 -6.070 -3.948 -1.208 1.00 22.30 N ATOM 530 CA THR A 41 -6.039 -2.666 -0.517 1.00 1.34 C ATOM 531 C THR A 41 -6.146 -1.507 -1.502 1.00 35.33 C ATOM 532 O THR A 41 -6.049 -1.698 -2.714 1.00 74.24 O ATOM 533 CB THR A 41 -4.749 -2.504 0.310 1.00 52.12 C ATOM 534 OG1 THR A 41 -3.737 -3.388 -0.184 1.00 21.22 O ATOM 535 CG2 THR A 41 -5.009 -2.793 1.781 1.00 40.14 C ATOM 0 H THR A 41 -5.241 -4.145 -1.769 1.00 22.30 H new ATOM 0 HA THR A 41 -6.897 -2.649 0.155 1.00 1.34 H new ATOM 0 HB THR A 41 -4.409 -1.473 0.214 1.00 52.12 H new ATOM 0 HG1 THR A 41 -3.054 -3.521 0.506 1.00 21.22 H new ATOM 0 HG21 THR A 41 -4.084 -2.672 2.345 1.00 40.14 H new ATOM 0 HG22 THR A 41 -5.759 -2.099 2.161 1.00 40.14 H new ATOM 0 HG23 THR A 41 -5.371 -3.815 1.893 1.00 40.14 H new ATOM 543 N THR A 42 -6.347 -0.304 -0.973 1.00 40.24 N ATOM 544 CA THR A 42 -6.468 0.886 -1.806 1.00 71.14 C ATOM 545 C THR A 42 -5.135 1.242 -2.454 1.00 22.20 C ATOM 546 O THR A 42 -5.027 1.385 -3.672 1.00 55.11 O ATOM 547 CB THR A 42 -6.969 2.094 -0.992 1.00 23.53 C ATOM 548 OG1 THR A 42 -8.399 2.084 -0.931 1.00 53.51 O ATOM 549 CG2 THR A 42 -6.490 3.399 -1.609 1.00 74.25 C ATOM 0 H THR A 42 -6.429 -0.128 0.028 1.00 40.24 H new ATOM 0 HA THR A 42 -7.196 0.654 -2.583 1.00 71.14 H new ATOM 0 HB THR A 42 -6.563 2.018 0.017 1.00 23.53 H new ATOM 0 HG1 THR A 42 -8.704 2.754 -0.284 1.00 53.51 H new ATOM 0 HG21 THR A 42 -6.856 4.238 -1.017 1.00 74.25 H new ATOM 0 HG22 THR A 42 -5.400 3.415 -1.626 1.00 74.25 H new ATOM 0 HG23 THR A 42 -6.870 3.481 -2.627 1.00 74.25 H new ATOM 557 N PRO A 43 -4.092 1.388 -1.623 1.00 34.45 N ATOM 558 CA PRO A 43 -2.746 1.727 -2.093 1.00 12.42 C ATOM 559 C PRO A 43 -2.096 0.584 -2.865 1.00 11.33 C ATOM 560 O PRO A 43 -1.031 0.751 -3.460 1.00 14.11 O ATOM 561 CB PRO A 43 -1.978 2.004 -0.798 1.00 65.32 C ATOM 562 CG PRO A 43 -2.699 1.223 0.245 1.00 34.20 C ATOM 563 CD PRO A 43 -4.148 1.231 -0.159 1.00 43.53 C ATOM 0 HA PRO A 43 -2.756 2.568 -2.787 1.00 12.42 H new ATOM 0 HB2 PRO A 43 -0.938 1.689 -0.880 1.00 65.32 H new ATOM 0 HB3 PRO A 43 -1.971 3.068 -0.562 1.00 65.32 H new ATOM 0 HG2 PRO A 43 -2.316 0.204 0.304 1.00 34.20 H new ATOM 0 HG3 PRO A 43 -2.566 1.671 1.230 1.00 34.20 H new ATOM 0 HD2 PRO A 43 -4.650 0.307 0.127 1.00 43.53 H new ATOM 0 HD3 PRO A 43 -4.692 2.049 0.313 1.00 43.53 H new ATOM 571 N ASP A 44 -2.743 -0.576 -2.851 1.00 11.21 N ATOM 572 CA ASP A 44 -2.228 -1.747 -3.551 1.00 53.34 C ATOM 573 C ASP A 44 -2.707 -1.768 -5.000 1.00 13.34 C ATOM 574 O ASP A 44 -1.957 -2.127 -5.907 1.00 23.22 O ATOM 575 CB ASP A 44 -2.665 -3.027 -2.838 1.00 72.21 C ATOM 576 CG ASP A 44 -1.660 -3.483 -1.799 1.00 1.32 C ATOM 577 OD1 ASP A 44 -0.968 -2.617 -1.223 1.00 24.11 O ATOM 578 OD2 ASP A 44 -1.566 -4.705 -1.561 1.00 1.25 O ATOM 0 H ASP A 44 -3.625 -0.731 -2.363 1.00 11.21 H new ATOM 0 HA ASP A 44 -1.139 -1.692 -3.548 1.00 53.34 H new ATOM 0 HB2 ASP A 44 -3.629 -2.861 -2.358 1.00 72.21 H new ATOM 0 HB3 ASP A 44 -2.807 -3.819 -3.574 1.00 72.21 H new ATOM 583 N ARG A 45 -3.962 -1.381 -5.208 1.00 64.23 N ATOM 584 CA ARG A 45 -4.541 -1.358 -6.546 1.00 14.02 C ATOM 585 C ARG A 45 -4.034 -0.156 -7.337 1.00 72.14 C ATOM 586 O ARG A 45 -3.678 -0.279 -8.509 1.00 51.30 O ATOM 587 CB ARG A 45 -6.068 -1.320 -6.462 1.00 54.53 C ATOM 588 CG ARG A 45 -6.650 -2.321 -5.477 1.00 42.44 C ATOM 589 CD ARG A 45 -7.602 -3.288 -6.163 1.00 63.22 C ATOM 590 NE ARG A 45 -8.723 -3.655 -5.303 1.00 32.14 N ATOM 591 CZ ARG A 45 -9.680 -4.503 -5.663 1.00 64.34 C ATOM 592 NH1 ARG A 45 -9.651 -5.070 -6.862 1.00 5.41 N ATOM 593 NH2 ARG A 45 -10.668 -4.787 -4.824 1.00 64.14 N ATOM 0 H ARG A 45 -4.596 -1.080 -4.468 1.00 64.23 H new ATOM 0 HA ARG A 45 -4.234 -2.267 -7.064 1.00 14.02 H new ATOM 0 HB2 ARG A 45 -6.383 -0.316 -6.175 1.00 54.53 H new ATOM 0 HB3 ARG A 45 -6.483 -1.514 -7.451 1.00 54.53 H new ATOM 0 HG2 ARG A 45 -5.842 -2.879 -5.003 1.00 42.44 H new ATOM 0 HG3 ARG A 45 -7.178 -1.789 -4.685 1.00 42.44 H new ATOM 0 HD2 ARG A 45 -7.981 -2.835 -7.079 1.00 63.22 H new ATOM 0 HD3 ARG A 45 -7.058 -4.187 -6.453 1.00 63.22 H new ATOM 0 HE ARG A 45 -8.774 -3.237 -4.374 1.00 32.14 H new ATOM 0 HH11 ARG A 45 -8.893 -4.855 -7.510 1.00 5.41 H new ATOM 0 HH12 ARG A 45 -10.387 -5.721 -7.136 1.00 5.41 H new ATOM 0 HH21 ARG A 45 -10.694 -4.354 -3.901 1.00 64.14 H new ATOM 0 HH22 ARG A 45 -11.402 -5.438 -5.102 1.00 64.14 H new ATOM 607 N GLN A 46 -4.005 1.004 -6.689 1.00 33.32 N ATOM 608 CA GLN A 46 -3.543 2.227 -7.333 1.00 50.31 C ATOM 609 C GLN A 46 -2.146 2.041 -7.916 1.00 1.43 C ATOM 610 O GLN A 46 -1.910 2.324 -9.090 1.00 2.21 O ATOM 611 CB GLN A 46 -3.542 3.386 -6.334 1.00 61.30 C ATOM 612 CG GLN A 46 -4.912 3.685 -5.748 1.00 54.34 C ATOM 613 CD GLN A 46 -4.839 4.541 -4.499 1.00 22.40 C ATOM 614 OE1 GLN A 46 -4.257 4.139 -3.491 1.00 65.11 O ATOM 615 NE2 GLN A 46 -5.430 5.728 -4.558 1.00 53.04 N ATOM 0 H GLN A 46 -4.296 1.122 -5.719 1.00 33.32 H new ATOM 0 HA GLN A 46 -4.229 2.460 -8.148 1.00 50.31 H new ATOM 0 HB2 GLN A 46 -2.852 3.155 -5.523 1.00 61.30 H new ATOM 0 HB3 GLN A 46 -3.164 4.281 -6.829 1.00 61.30 H new ATOM 0 HG2 GLN A 46 -5.520 4.193 -6.497 1.00 54.34 H new ATOM 0 HG3 GLN A 46 -5.414 2.747 -5.512 1.00 54.34 H new ATOM 0 HE21 GLN A 46 -5.901 6.021 -5.414 1.00 53.04 H new ATOM 0 HE22 GLN A 46 -5.413 6.347 -3.747 1.00 53.04 H new ATOM 624 N ALA A 47 -1.223 1.565 -7.087 1.00 30.33 N ATOM 625 CA ALA A 47 0.150 1.340 -7.520 1.00 63.42 C ATOM 626 C ALA A 47 0.211 0.303 -8.637 1.00 35.22 C ATOM 627 O ALA A 47 0.784 0.551 -9.697 1.00 53.41 O ATOM 628 CB ALA A 47 1.010 0.902 -6.344 1.00 20.42 C ATOM 0 H ALA A 47 -1.402 1.328 -6.111 1.00 30.33 H new ATOM 0 HA ALA A 47 0.540 2.280 -7.911 1.00 63.42 H new ATOM 0 HB1 ALA A 47 2.033 0.738 -6.683 1.00 20.42 H new ATOM 0 HB2 ALA A 47 1.001 1.678 -5.578 1.00 20.42 H new ATOM 0 HB3 ALA A 47 0.613 -0.024 -5.927 1.00 20.42 H new ATOM 634 N ALA A 48 -0.384 -0.860 -8.391 1.00 71.00 N ATOM 635 CA ALA A 48 -0.399 -1.934 -9.377 1.00 2.14 C ATOM 636 C ALA A 48 -0.915 -1.437 -10.722 1.00 54.34 C ATOM 637 O ALA A 48 -0.372 -1.780 -11.773 1.00 34.41 O ATOM 638 CB ALA A 48 -1.247 -3.095 -8.879 1.00 54.25 C ATOM 0 H ALA A 48 -0.862 -1.082 -7.518 1.00 71.00 H new ATOM 0 HA ALA A 48 0.625 -2.280 -9.517 1.00 2.14 H new ATOM 0 HB1 ALA A 48 -1.250 -3.890 -9.625 1.00 54.25 H new ATOM 0 HB2 ALA A 48 -0.832 -3.475 -7.945 1.00 54.25 H new ATOM 0 HB3 ALA A 48 -2.268 -2.753 -8.709 1.00 54.25 H new ATOM 644 N CYS A 49 -1.968 -0.627 -10.684 1.00 41.43 N ATOM 645 CA CYS A 49 -2.559 -0.083 -11.901 1.00 14.43 C ATOM 646 C CYS A 49 -1.591 0.869 -12.598 1.00 13.13 C ATOM 647 O CYS A 49 -1.124 0.596 -13.703 1.00 12.35 O ATOM 648 CB CYS A 49 -3.864 0.647 -11.576 1.00 53.21 C ATOM 649 SG CYS A 49 -4.875 1.049 -13.038 1.00 3.24 S ATOM 0 H CYS A 49 -2.430 -0.333 -9.823 1.00 41.43 H new ATOM 0 HA CYS A 49 -2.772 -0.913 -12.574 1.00 14.43 H new ATOM 0 HB2 CYS A 49 -4.454 0.030 -10.898 1.00 53.21 H new ATOM 0 HB3 CYS A 49 -3.629 1.569 -11.045 1.00 53.21 H new ATOM 654 N ASN A 50 -1.295 1.987 -11.943 1.00 1.12 N ATOM 655 CA ASN A 50 -0.383 2.980 -12.499 1.00 62.22 C ATOM 656 C ASN A 50 0.900 2.321 -12.998 1.00 53.01 C ATOM 657 O ASN A 50 1.426 2.680 -14.052 1.00 12.10 O ATOM 658 CB ASN A 50 -0.049 4.041 -11.449 1.00 50.42 C ATOM 659 CG ASN A 50 -1.288 4.726 -10.905 1.00 20.22 C ATOM 660 OD1 ASN A 50 -2.211 5.049 -11.652 1.00 50.43 O ATOM 661 ND2 ASN A 50 -1.313 4.950 -9.596 1.00 72.31 N ATOM 0 H ASN A 50 -1.673 2.228 -11.027 1.00 1.12 H new ATOM 0 HA ASN A 50 -0.878 3.458 -13.344 1.00 62.22 H new ATOM 0 HB2 ASN A 50 0.496 3.576 -10.627 1.00 50.42 H new ATOM 0 HB3 ASN A 50 0.612 4.788 -11.888 1.00 50.42 H new ATOM 0 HD21 ASN A 50 -2.120 5.407 -9.172 1.00 72.31 H new ATOM 0 HD22 ASN A 50 -0.525 4.665 -9.015 1.00 72.31 H new ATOM 668 N CYS A 51 1.398 1.355 -12.234 1.00 73.52 N ATOM 669 CA CYS A 51 2.618 0.644 -12.597 1.00 41.52 C ATOM 670 C CYS A 51 2.533 0.111 -14.024 1.00 70.04 C ATOM 671 O CYS A 51 3.351 0.456 -14.878 1.00 2.20 O ATOM 672 CB CYS A 51 2.871 -0.509 -11.624 1.00 54.12 C ATOM 673 SG CYS A 51 3.867 -0.050 -10.170 1.00 10.02 S ATOM 0 H CYS A 51 0.975 1.046 -11.359 1.00 73.52 H new ATOM 0 HA CYS A 51 3.449 1.347 -12.540 1.00 41.52 H new ATOM 0 HB2 CYS A 51 1.912 -0.901 -11.285 1.00 54.12 H new ATOM 0 HB3 CYS A 51 3.375 -1.316 -12.156 1.00 54.12 H new ATOM 678 N LEU A 52 1.538 -0.732 -14.276 1.00 73.04 N ATOM 679 CA LEU A 52 1.344 -1.314 -15.600 1.00 43.32 C ATOM 680 C LEU A 52 1.127 -0.226 -16.647 1.00 12.54 C ATOM 681 O LEU A 52 1.665 -0.295 -17.752 1.00 10.02 O ATOM 682 CB LEU A 52 0.152 -2.272 -15.589 1.00 11.24 C ATOM 683 CG LEU A 52 0.358 -3.591 -14.843 1.00 61.04 C ATOM 684 CD1 LEU A 52 -0.954 -4.351 -14.730 1.00 54.13 C ATOM 685 CD2 LEU A 52 1.410 -4.440 -15.543 1.00 35.10 C ATOM 0 H LEU A 52 0.853 -1.028 -13.581 1.00 73.04 H new ATOM 0 HA LEU A 52 2.245 -1.869 -15.861 1.00 43.32 H new ATOM 0 HB2 LEU A 52 -0.699 -1.756 -15.145 1.00 11.24 H new ATOM 0 HB3 LEU A 52 -0.116 -2.499 -16.621 1.00 11.24 H new ATOM 0 HG LEU A 52 0.711 -3.366 -13.837 1.00 61.04 H new ATOM 0 HD11 LEU A 52 -0.788 -5.287 -14.196 1.00 54.13 H new ATOM 0 HD12 LEU A 52 -1.679 -3.746 -14.185 1.00 54.13 H new ATOM 0 HD13 LEU A 52 -1.337 -4.565 -15.728 1.00 54.13 H new ATOM 0 HD21 LEU A 52 1.544 -5.375 -14.999 1.00 35.10 H new ATOM 0 HD22 LEU A 52 1.085 -4.656 -16.561 1.00 35.10 H new ATOM 0 HD23 LEU A 52 2.355 -3.898 -15.571 1.00 35.10 H new ATOM 697 N LYS A 53 0.336 0.781 -16.290 1.00 72.14 N ATOM 698 CA LYS A 53 0.049 1.887 -17.196 1.00 70.12 C ATOM 699 C LYS A 53 1.339 2.516 -17.713 1.00 21.41 C ATOM 700 O LYS A 53 1.412 2.949 -18.863 1.00 25.03 O ATOM 701 CB LYS A 53 -0.799 2.946 -16.489 1.00 32.15 C ATOM 702 CG LYS A 53 -2.028 2.380 -15.798 1.00 70.54 C ATOM 703 CD LYS A 53 -3.307 2.982 -16.354 1.00 53.31 C ATOM 704 CE LYS A 53 -3.774 2.248 -17.602 1.00 24.44 C ATOM 705 NZ LYS A 53 -3.259 2.885 -18.845 1.00 73.24 N ATOM 0 H LYS A 53 -0.118 0.854 -15.379 1.00 72.14 H new ATOM 0 HA LYS A 53 -0.508 1.492 -18.046 1.00 70.12 H new ATOM 0 HB2 LYS A 53 -0.182 3.460 -15.752 1.00 32.15 H new ATOM 0 HB3 LYS A 53 -1.114 3.693 -17.218 1.00 32.15 H new ATOM 0 HG2 LYS A 53 -2.050 1.297 -15.923 1.00 70.54 H new ATOM 0 HG3 LYS A 53 -1.968 2.577 -14.728 1.00 70.54 H new ATOM 0 HD2 LYS A 53 -4.088 2.944 -15.595 1.00 53.31 H new ATOM 0 HD3 LYS A 53 -3.143 4.034 -16.589 1.00 53.31 H new ATOM 0 HE2 LYS A 53 -3.440 1.211 -17.560 1.00 24.44 H new ATOM 0 HE3 LYS A 53 -4.864 2.231 -17.627 1.00 24.44 H new ATOM 0 HZ1 LYS A 53 -3.315 2.207 -19.631 1.00 73.24 H new ATOM 0 HZ2 LYS A 53 -3.833 3.723 -19.069 1.00 73.24 H new ATOM 0 HZ3 LYS A 53 -2.269 3.171 -18.704 1.00 73.24 H new ATOM 719 N SER A 54 2.355 2.561 -16.856 1.00 75.33 N ATOM 720 CA SER A 54 3.641 3.139 -17.226 1.00 23.50 C ATOM 721 C SER A 54 4.386 2.229 -18.199 1.00 55.54 C ATOM 722 O SER A 54 4.868 2.678 -19.239 1.00 22.32 O ATOM 723 CB SER A 54 4.495 3.376 -15.979 1.00 14.43 C ATOM 724 OG SER A 54 5.615 4.192 -16.275 1.00 53.30 O ATOM 0 H SER A 54 2.312 2.204 -15.901 1.00 75.33 H new ATOM 0 HA SER A 54 3.454 4.094 -17.718 1.00 23.50 H new ATOM 0 HB2 SER A 54 3.891 3.849 -15.205 1.00 14.43 H new ATOM 0 HB3 SER A 54 4.833 2.420 -15.579 1.00 14.43 H new ATOM 0 HG SER A 54 6.143 4.330 -15.461 1.00 53.30 H new ATOM 730 N ALA A 55 4.474 0.949 -17.854 1.00 11.23 N ATOM 731 CA ALA A 55 5.157 -0.024 -18.697 1.00 30.24 C ATOM 732 C ALA A 55 4.398 -0.250 -20.000 1.00 45.21 C ATOM 733 O ALA A 55 4.940 -0.804 -20.956 1.00 52.13 O ATOM 734 CB ALA A 55 5.331 -1.339 -17.950 1.00 54.25 C ATOM 0 H ALA A 55 4.081 0.562 -16.996 1.00 11.23 H new ATOM 0 HA ALA A 55 6.141 0.374 -18.945 1.00 30.24 H new ATOM 0 HB1 ALA A 55 5.843 -2.057 -18.591 1.00 54.25 H new ATOM 0 HB2 ALA A 55 5.922 -1.171 -17.050 1.00 54.25 H new ATOM 0 HB3 ALA A 55 4.353 -1.732 -17.673 1.00 54.25 H new ATOM 740 N ALA A 56 3.142 0.183 -20.031 1.00 21.43 N ATOM 741 CA ALA A 56 2.310 0.029 -21.218 1.00 30.35 C ATOM 742 C ALA A 56 2.581 1.140 -22.226 1.00 65.32 C ATOM 743 O ALA A 56 2.456 0.939 -23.434 1.00 4.55 O ATOM 744 CB ALA A 56 0.838 0.012 -20.832 1.00 23.44 C ATOM 0 H ALA A 56 2.678 0.643 -19.248 1.00 21.43 H new ATOM 0 HA ALA A 56 2.563 -0.922 -21.688 1.00 30.35 H new ATOM 0 HB1 ALA A 56 0.228 -0.104 -21.728 1.00 23.44 H new ATOM 0 HB2 ALA A 56 0.649 -0.821 -20.155 1.00 23.44 H new ATOM 0 HB3 ALA A 56 0.581 0.948 -20.336 1.00 23.44 H new ATOM 750 N GLY A 57 2.953 2.313 -21.722 1.00 63.32 N ATOM 751 CA GLY A 57 3.236 3.438 -22.593 1.00 54.44 C ATOM 752 C GLY A 57 4.402 3.173 -23.524 1.00 43.00 C ATOM 753 O GLY A 57 4.515 3.793 -24.581 1.00 42.23 O ATOM 0 H GLY A 57 3.063 2.504 -20.726 1.00 63.32 H new ATOM 0 HA2 GLY A 57 2.349 3.668 -23.183 1.00 54.44 H new ATOM 0 HA3 GLY A 57 3.452 4.317 -21.986 1.00 54.44 H new ATOM 757 N SER A 58 5.274 2.250 -23.130 1.00 35.21 N ATOM 758 CA SER A 58 6.441 1.908 -23.934 1.00 71.30 C ATOM 759 C SER A 58 6.123 0.767 -24.895 1.00 73.54 C ATOM 760 O SER A 58 7.003 0.269 -25.598 1.00 21.42 O ATOM 761 CB SER A 58 7.612 1.517 -23.031 1.00 21.04 C ATOM 762 OG SER A 58 8.847 1.641 -23.714 1.00 41.33 O ATOM 0 H SER A 58 5.194 1.726 -22.259 1.00 35.21 H new ATOM 0 HA SER A 58 6.719 2.785 -24.518 1.00 71.30 H new ATOM 0 HB2 SER A 58 7.618 2.150 -22.144 1.00 21.04 H new ATOM 0 HB3 SER A 58 7.484 0.490 -22.688 1.00 21.04 H new ATOM 0 HG SER A 58 8.772 1.234 -24.602 1.00 41.33 H new ATOM 768 N ILE A 59 4.859 0.358 -24.921 1.00 32.45 N ATOM 769 CA ILE A 59 4.423 -0.724 -25.796 1.00 5.32 C ATOM 770 C ILE A 59 3.622 -0.186 -26.977 1.00 20.35 C ATOM 771 O ILE A 59 2.637 0.531 -26.798 1.00 72.23 O ATOM 772 CB ILE A 59 3.568 -1.754 -25.035 1.00 53.31 C ATOM 773 CG1 ILE A 59 4.163 -2.021 -23.651 1.00 73.11 C ATOM 774 CG2 ILE A 59 3.463 -3.046 -25.831 1.00 75.01 C ATOM 775 CD1 ILE A 59 3.398 -3.055 -22.854 1.00 65.23 C ATOM 0 H ILE A 59 4.118 0.760 -24.346 1.00 32.45 H new ATOM 0 HA ILE A 59 5.324 -1.215 -26.165 1.00 5.32 H new ATOM 0 HB ILE A 59 2.565 -1.347 -24.906 1.00 53.31 H new ATOM 0 HG12 ILE A 59 5.195 -2.353 -23.766 1.00 73.11 H new ATOM 0 HG13 ILE A 59 4.189 -1.087 -23.089 1.00 73.11 H new ATOM 0 HG21 ILE A 59 2.856 -3.764 -25.280 1.00 75.01 H new ATOM 0 HG22 ILE A 59 2.998 -2.842 -26.796 1.00 75.01 H new ATOM 0 HG23 ILE A 59 4.460 -3.459 -25.988 1.00 75.01 H new ATOM 0 HD11 ILE A 59 3.876 -3.194 -21.884 1.00 65.23 H new ATOM 0 HD12 ILE A 59 2.372 -2.716 -22.708 1.00 65.23 H new ATOM 0 HD13 ILE A 59 3.394 -4.001 -23.395 1.00 65.23 H new ATOM 787 N THR A 60 4.050 -0.539 -28.185 1.00 32.11 N ATOM 788 CA THR A 60 3.372 -0.093 -29.396 1.00 23.42 C ATOM 789 C THR A 60 2.370 -1.135 -29.880 1.00 12.31 C ATOM 790 O THR A 60 1.369 -0.801 -30.515 1.00 1.54 O ATOM 791 CB THR A 60 4.377 0.200 -30.526 1.00 70.20 C ATOM 792 OG1 THR A 60 3.755 0.999 -31.539 1.00 25.22 O ATOM 793 CG2 THR A 60 4.894 -1.093 -31.139 1.00 42.21 C ATOM 0 H THR A 60 4.863 -1.132 -28.351 1.00 32.11 H new ATOM 0 HA THR A 60 2.843 0.826 -29.143 1.00 23.42 H new ATOM 0 HB THR A 60 5.220 0.744 -30.101 1.00 70.20 H new ATOM 0 HG1 THR A 60 4.401 1.182 -32.253 1.00 25.22 H new ATOM 0 HG21 THR A 60 5.602 -0.861 -31.935 1.00 42.21 H new ATOM 0 HG22 THR A 60 5.392 -1.686 -30.372 1.00 42.21 H new ATOM 0 HG23 THR A 60 4.059 -1.660 -31.551 1.00 42.21 H new ATOM 801 N LYS A 61 2.644 -2.399 -29.576 1.00 53.11 N ATOM 802 CA LYS A 61 1.765 -3.491 -29.978 1.00 52.43 C ATOM 803 C LYS A 61 0.761 -3.815 -28.877 1.00 12.23 C ATOM 804 O LYS A 61 0.154 -4.887 -28.871 1.00 42.24 O ATOM 805 CB LYS A 61 2.587 -4.736 -30.317 1.00 32.35 C ATOM 806 CG LYS A 61 3.126 -4.742 -31.736 1.00 65.03 C ATOM 807 CD LYS A 61 3.518 -6.142 -32.178 1.00 61.04 C ATOM 808 CE LYS A 61 3.880 -6.179 -33.655 1.00 61.32 C ATOM 809 NZ LYS A 61 4.655 -7.402 -34.006 1.00 14.03 N ATOM 0 H LYS A 61 3.468 -2.693 -29.052 1.00 53.11 H new ATOM 0 HA LYS A 61 1.215 -3.174 -30.864 1.00 52.43 H new ATOM 0 HB2 LYS A 61 3.422 -4.811 -29.620 1.00 32.35 H new ATOM 0 HB3 LYS A 61 1.968 -5.621 -30.169 1.00 32.35 H new ATOM 0 HG2 LYS A 61 2.372 -4.343 -32.414 1.00 65.03 H new ATOM 0 HG3 LYS A 61 3.992 -4.083 -31.800 1.00 65.03 H new ATOM 0 HD2 LYS A 61 4.365 -6.488 -31.586 1.00 61.04 H new ATOM 0 HD3 LYS A 61 2.694 -6.829 -31.987 1.00 61.04 H new ATOM 0 HE2 LYS A 61 2.969 -6.142 -34.253 1.00 61.32 H new ATOM 0 HE3 LYS A 61 4.464 -5.294 -33.908 1.00 61.32 H new ATOM 0 HZ1 LYS A 61 4.882 -7.390 -35.021 1.00 14.03 H new ATOM 0 HZ2 LYS A 61 5.536 -7.425 -33.454 1.00 14.03 H new ATOM 0 HZ3 LYS A 61 4.088 -8.246 -33.788 1.00 14.03 H new ATOM 823 N LEU A 62 0.589 -2.882 -27.946 1.00 72.43 N ATOM 824 CA LEU A 62 -0.344 -3.068 -26.840 1.00 24.41 C ATOM 825 C LEU A 62 -1.780 -3.147 -27.346 1.00 74.30 C ATOM 826 O LEU A 62 -2.263 -2.237 -28.017 1.00 51.45 O ATOM 827 CB LEU A 62 -0.207 -1.924 -25.834 1.00 52.23 C ATOM 828 CG LEU A 62 -1.234 -1.900 -24.702 1.00 12.44 C ATOM 829 CD1 LEU A 62 -0.916 -2.971 -23.670 1.00 12.42 C ATOM 830 CD2 LEU A 62 -1.277 -0.525 -24.050 1.00 54.02 C ATOM 0 H LEU A 62 1.083 -1.990 -27.935 1.00 72.43 H new ATOM 0 HA LEU A 62 -0.101 -4.009 -26.346 1.00 24.41 H new ATOM 0 HB2 LEU A 62 0.789 -1.972 -25.393 1.00 52.23 H new ATOM 0 HB3 LEU A 62 -0.271 -0.980 -26.376 1.00 52.23 H new ATOM 0 HG LEU A 62 -2.217 -2.111 -25.124 1.00 12.44 H new ATOM 0 HD11 LEU A 62 -1.658 -2.939 -22.872 1.00 12.42 H new ATOM 0 HD12 LEU A 62 -0.937 -3.952 -24.145 1.00 12.42 H new ATOM 0 HD13 LEU A 62 0.075 -2.791 -23.252 1.00 12.42 H new ATOM 0 HD21 LEU A 62 -2.013 -0.526 -23.246 1.00 54.02 H new ATOM 0 HD22 LEU A 62 -0.295 -0.285 -23.642 1.00 54.02 H new ATOM 0 HD23 LEU A 62 -1.553 0.222 -24.794 1.00 54.02 H new ATOM 842 N ASN A 63 -2.459 -4.242 -27.017 1.00 0.30 N ATOM 843 CA ASN A 63 -3.842 -4.439 -27.437 1.00 4.21 C ATOM 844 C ASN A 63 -4.800 -4.231 -26.268 1.00 50.32 C ATOM 845 O ASN A 63 -5.084 -5.159 -25.510 1.00 2.41 O ATOM 846 CB ASN A 63 -4.025 -5.842 -28.018 1.00 21.54 C ATOM 847 CG ASN A 63 -3.360 -5.999 -29.372 1.00 34.33 C ATOM 848 OD1 ASN A 63 -2.136 -5.945 -29.485 1.00 3.14 O ATOM 849 ND2 ASN A 63 -4.168 -6.195 -30.408 1.00 1.23 N ATOM 0 H ASN A 63 -2.074 -5.006 -26.461 1.00 0.30 H new ATOM 0 HA ASN A 63 -4.071 -3.702 -28.207 1.00 4.21 H new ATOM 0 HB2 ASN A 63 -3.611 -6.576 -27.326 1.00 21.54 H new ATOM 0 HB3 ASN A 63 -5.089 -6.057 -28.112 1.00 21.54 H new ATOM 0 HD21 ASN A 63 -3.779 -6.308 -31.344 1.00 1.23 H new ATOM 0 HD22 ASN A 63 -5.178 -6.233 -30.267 1.00 1.23 H new ATOM 856 N THR A 64 -5.297 -3.006 -26.128 1.00 51.45 N ATOM 857 CA THR A 64 -6.223 -2.675 -25.053 1.00 10.52 C ATOM 858 C THR A 64 -7.418 -3.621 -25.045 1.00 53.45 C ATOM 859 O THR A 64 -8.040 -3.842 -24.007 1.00 70.14 O ATOM 860 CB THR A 64 -6.731 -1.225 -25.174 1.00 64.35 C ATOM 861 OG1 THR A 64 -7.585 -1.100 -26.317 1.00 11.24 O ATOM 862 CG2 THR A 64 -5.567 -0.253 -25.296 1.00 11.20 C ATOM 0 H THR A 64 -5.073 -2.226 -26.746 1.00 51.45 H new ATOM 0 HA THR A 64 -5.672 -2.782 -24.119 1.00 10.52 H new ATOM 0 HB THR A 64 -7.293 -0.983 -24.272 1.00 64.35 H new ATOM 0 HG1 THR A 64 -7.905 -0.176 -26.387 1.00 11.24 H new ATOM 0 HG21 THR A 64 -5.950 0.764 -25.380 1.00 11.20 H new ATOM 0 HG22 THR A 64 -4.934 -0.331 -24.412 1.00 11.20 H new ATOM 0 HG23 THR A 64 -4.982 -0.495 -26.183 1.00 11.20 H new ATOM 870 N ASN A 65 -7.734 -4.177 -26.211 1.00 1.24 N ATOM 871 CA ASN A 65 -8.856 -5.100 -26.338 1.00 24.22 C ATOM 872 C ASN A 65 -8.608 -6.371 -25.531 1.00 33.12 C ATOM 873 O ASN A 65 -9.503 -6.870 -24.851 1.00 34.45 O ATOM 874 CB ASN A 65 -9.088 -5.453 -27.808 1.00 71.52 C ATOM 875 CG ASN A 65 -10.062 -4.507 -28.483 1.00 60.02 C ATOM 876 OD1 ASN A 65 -11.128 -4.207 -27.945 1.00 21.51 O ATOM 877 ND2 ASN A 65 -9.699 -4.032 -29.669 1.00 11.52 N ATOM 0 H ASN A 65 -7.229 -4.004 -27.080 1.00 1.24 H new ATOM 0 HA ASN A 65 -9.746 -4.609 -25.944 1.00 24.22 H new ATOM 0 HB2 ASN A 65 -8.136 -5.430 -28.339 1.00 71.52 H new ATOM 0 HB3 ASN A 65 -9.468 -6.472 -27.879 1.00 71.52 H new ATOM 0 HD21 ASN A 65 -10.313 -3.391 -30.172 1.00 11.52 H new ATOM 0 HD22 ASN A 65 -8.806 -4.308 -30.077 1.00 11.52 H new ATOM 884 N ASN A 66 -7.387 -6.888 -25.612 1.00 23.54 N ATOM 885 CA ASN A 66 -7.021 -8.101 -24.889 1.00 21.22 C ATOM 886 C ASN A 66 -6.822 -7.811 -23.404 1.00 44.44 C ATOM 887 O ASN A 66 -6.929 -8.705 -22.566 1.00 72.35 O ATOM 888 CB ASN A 66 -5.744 -8.705 -25.478 1.00 35.44 C ATOM 889 CG ASN A 66 -5.962 -9.278 -26.865 1.00 34.44 C ATOM 890 OD1 ASN A 66 -6.917 -10.020 -27.099 1.00 63.11 O ATOM 891 ND2 ASN A 66 -5.076 -8.936 -27.792 1.00 63.20 N ATOM 0 H ASN A 66 -6.634 -6.486 -26.171 1.00 23.54 H new ATOM 0 HA ASN A 66 -7.836 -8.817 -24.995 1.00 21.22 H new ATOM 0 HB2 ASN A 66 -4.970 -7.939 -25.522 1.00 35.44 H new ATOM 0 HB3 ASN A 66 -5.378 -9.490 -24.817 1.00 35.44 H new ATOM 0 HD21 ASN A 66 -5.171 -9.291 -28.744 1.00 63.20 H new ATOM 0 HD22 ASN A 66 -4.300 -8.318 -27.553 1.00 63.20 H new ATOM 898 N ALA A 67 -6.531 -6.553 -23.087 1.00 72.11 N ATOM 899 CA ALA A 67 -6.320 -6.144 -21.704 1.00 44.43 C ATOM 900 C ALA A 67 -7.638 -6.089 -20.940 1.00 20.41 C ATOM 901 O ALA A 67 -7.691 -6.405 -19.752 1.00 23.03 O ATOM 902 CB ALA A 67 -5.623 -4.792 -21.655 1.00 3.01 C ATOM 0 H ALA A 67 -6.436 -5.800 -23.769 1.00 72.11 H new ATOM 0 HA ALA A 67 -5.683 -6.887 -21.224 1.00 44.43 H new ATOM 0 HB1 ALA A 67 -5.471 -4.498 -20.616 1.00 3.01 H new ATOM 0 HB2 ALA A 67 -4.658 -4.862 -22.157 1.00 3.01 H new ATOM 0 HB3 ALA A 67 -6.240 -4.046 -22.157 1.00 3.01 H new ATOM 908 N ALA A 68 -8.700 -5.687 -21.629 1.00 53.45 N ATOM 909 CA ALA A 68 -10.019 -5.592 -21.015 1.00 61.44 C ATOM 910 C ALA A 68 -10.640 -6.973 -20.835 1.00 75.23 C ATOM 911 O ALA A 68 -11.266 -7.254 -19.813 1.00 63.23 O ATOM 912 CB ALA A 68 -10.929 -4.707 -21.853 1.00 52.22 C ATOM 0 H ALA A 68 -8.673 -5.422 -22.613 1.00 53.45 H new ATOM 0 HA ALA A 68 -9.903 -5.143 -20.029 1.00 61.44 H new ATOM 0 HB1 ALA A 68 -11.910 -4.645 -21.383 1.00 52.22 H new ATOM 0 HB2 ALA A 68 -10.498 -3.708 -21.927 1.00 52.22 H new ATOM 0 HB3 ALA A 68 -11.031 -5.132 -22.851 1.00 52.22 H new ATOM 918 N ALA A 69 -10.465 -7.831 -21.835 1.00 40.01 N ATOM 919 CA ALA A 69 -11.008 -9.183 -21.786 1.00 42.20 C ATOM 920 C ALA A 69 -10.047 -10.135 -21.082 1.00 10.10 C ATOM 921 O ALA A 69 -10.389 -11.285 -20.805 1.00 23.44 O ATOM 922 CB ALA A 69 -11.312 -9.681 -23.191 1.00 52.32 C ATOM 0 H ALA A 69 -9.951 -7.614 -22.689 1.00 40.01 H new ATOM 0 HA ALA A 69 -11.935 -9.155 -21.214 1.00 42.20 H new ATOM 0 HB1 ALA A 69 -11.717 -10.692 -23.139 1.00 52.32 H new ATOM 0 HB2 ALA A 69 -12.042 -9.022 -23.661 1.00 52.32 H new ATOM 0 HB3 ALA A 69 -10.396 -9.687 -23.781 1.00 52.32 H new ATOM 928 N LEU A 70 -8.844 -9.649 -20.796 1.00 31.41 N ATOM 929 CA LEU A 70 -7.833 -10.458 -20.124 1.00 44.11 C ATOM 930 C LEU A 70 -8.360 -10.999 -18.799 1.00 5.52 C ATOM 931 O LEU A 70 -8.426 -12.208 -18.576 1.00 12.52 O ATOM 932 CB LEU A 70 -6.568 -9.632 -19.884 1.00 43.23 C ATOM 933 CG LEU A 70 -5.729 -10.027 -18.669 1.00 5.24 C ATOM 934 CD1 LEU A 70 -5.220 -11.453 -18.812 1.00 2.13 C ATOM 935 CD2 LEU A 70 -4.567 -9.060 -18.485 1.00 75.42 C ATOM 0 H LEU A 70 -8.545 -8.700 -21.019 1.00 31.41 H new ATOM 0 HA LEU A 70 -7.591 -11.303 -20.769 1.00 44.11 H new ATOM 0 HB2 LEU A 70 -5.940 -9.700 -20.772 1.00 43.23 H new ATOM 0 HB3 LEU A 70 -6.856 -8.586 -19.777 1.00 43.23 H new ATOM 0 HG LEU A 70 -6.362 -9.976 -17.783 1.00 5.24 H new ATOM 0 HD11 LEU A 70 -4.625 -11.716 -17.938 1.00 2.13 H new ATOM 0 HD12 LEU A 70 -6.066 -12.135 -18.894 1.00 2.13 H new ATOM 0 HD13 LEU A 70 -4.603 -11.531 -19.707 1.00 2.13 H new ATOM 0 HD21 LEU A 70 -3.981 -9.357 -17.615 1.00 75.42 H new ATOM 0 HD22 LEU A 70 -3.934 -9.078 -19.372 1.00 75.42 H new ATOM 0 HD23 LEU A 70 -4.953 -8.052 -18.335 1.00 75.42 H new ATOM 947 N PRO A 71 -8.745 -10.083 -17.897 1.00 73.25 N ATOM 948 CA PRO A 71 -9.276 -10.444 -16.580 1.00 31.53 C ATOM 949 C PRO A 71 -10.658 -11.084 -16.667 1.00 24.14 C ATOM 950 O PRO A 71 -11.045 -11.868 -15.801 1.00 12.52 O ATOM 951 CB PRO A 71 -9.353 -9.102 -15.848 1.00 75.02 C ATOM 952 CG PRO A 71 -9.479 -8.087 -16.932 1.00 22.15 C ATOM 953 CD PRO A 71 -8.694 -8.625 -18.096 1.00 3.13 C ATOM 0 HA PRO A 71 -8.652 -11.183 -16.078 1.00 31.53 H new ATOM 0 HB2 PRO A 71 -10.208 -9.068 -15.172 1.00 75.02 H new ATOM 0 HB3 PRO A 71 -8.462 -8.928 -15.244 1.00 75.02 H new ATOM 0 HG2 PRO A 71 -10.523 -7.933 -17.203 1.00 22.15 H new ATOM 0 HG3 PRO A 71 -9.088 -7.122 -16.610 1.00 22.15 H new ATOM 0 HD2 PRO A 71 -9.137 -8.334 -19.048 1.00 3.13 H new ATOM 0 HD3 PRO A 71 -7.669 -8.255 -18.095 1.00 3.13 H new ATOM 961 N GLY A 72 -11.397 -10.745 -17.718 1.00 42.05 N ATOM 962 CA GLY A 72 -12.727 -11.296 -17.899 1.00 12.12 C ATOM 963 C GLY A 72 -12.700 -12.750 -18.326 1.00 45.03 C ATOM 964 O GLY A 72 -13.373 -13.593 -17.733 1.00 53.42 O ATOM 0 H GLY A 72 -11.098 -10.098 -18.448 1.00 42.05 H new ATOM 0 HA2 GLY A 72 -13.284 -11.205 -16.967 1.00 12.12 H new ATOM 0 HA3 GLY A 72 -13.260 -10.711 -18.648 1.00 12.12 H new ATOM 968 N LYS A 73 -11.919 -13.046 -19.360 1.00 73.22 N ATOM 969 CA LYS A 73 -11.806 -14.408 -19.868 1.00 61.22 C ATOM 970 C LYS A 73 -11.197 -15.332 -18.818 1.00 40.30 C ATOM 971 O LYS A 73 -11.414 -16.544 -18.841 1.00 50.43 O ATOM 972 CB LYS A 73 -10.953 -14.431 -21.139 1.00 33.21 C ATOM 973 CG LYS A 73 -11.596 -13.717 -22.316 1.00 21.35 C ATOM 974 CD LYS A 73 -12.602 -14.607 -23.026 1.00 20.31 C ATOM 975 CE LYS A 73 -13.323 -13.858 -24.135 1.00 54.25 C ATOM 976 NZ LYS A 73 -14.084 -14.779 -25.024 1.00 33.53 N ATOM 0 H LYS A 73 -11.355 -12.361 -19.862 1.00 73.22 H new ATOM 0 HA LYS A 73 -12.808 -14.765 -20.103 1.00 61.22 H new ATOM 0 HB2 LYS A 73 -9.988 -13.969 -20.928 1.00 33.21 H new ATOM 0 HB3 LYS A 73 -10.757 -15.467 -21.416 1.00 33.21 H new ATOM 0 HG2 LYS A 73 -12.093 -12.812 -21.966 1.00 21.35 H new ATOM 0 HG3 LYS A 73 -10.824 -13.406 -23.020 1.00 21.35 H new ATOM 0 HD2 LYS A 73 -12.091 -15.474 -23.444 1.00 20.31 H new ATOM 0 HD3 LYS A 73 -13.329 -14.982 -22.306 1.00 20.31 H new ATOM 0 HE2 LYS A 73 -14.006 -13.130 -23.697 1.00 54.25 H new ATOM 0 HE3 LYS A 73 -12.598 -13.299 -24.727 1.00 54.25 H new ATOM 0 HZ1 LYS A 73 -14.561 -14.229 -25.767 1.00 33.53 H new ATOM 0 HZ2 LYS A 73 -13.429 -15.458 -25.462 1.00 33.53 H new ATOM 0 HZ3 LYS A 73 -14.794 -15.294 -24.465 1.00 33.53 H new ATOM 990 N CYS A 74 -10.435 -14.752 -17.897 1.00 11.51 N ATOM 991 CA CYS A 74 -9.795 -15.522 -16.837 1.00 54.41 C ATOM 992 C CYS A 74 -10.737 -15.699 -15.650 1.00 32.54 C ATOM 993 O CYS A 74 -10.346 -16.222 -14.606 1.00 53.55 O ATOM 994 CB CYS A 74 -8.508 -14.831 -16.382 1.00 71.11 C ATOM 995 SG CYS A 74 -7.169 -14.868 -17.616 1.00 44.12 S ATOM 0 H CYS A 74 -10.245 -13.750 -17.863 1.00 11.51 H new ATOM 0 HA CYS A 74 -9.550 -16.507 -17.234 1.00 54.41 H new ATOM 0 HB2 CYS A 74 -8.733 -13.793 -16.136 1.00 71.11 H new ATOM 0 HB3 CYS A 74 -8.157 -15.307 -15.466 1.00 71.11 H new ATOM 1000 N GLY A 75 -11.981 -15.261 -15.817 1.00 73.21 N ATOM 1001 CA GLY A 75 -12.960 -15.381 -14.752 1.00 3.11 C ATOM 1002 C GLY A 75 -12.584 -14.571 -13.526 1.00 74.54 C ATOM 1003 O GLY A 75 -12.206 -15.130 -12.497 1.00 1.24 O ATOM 0 H GLY A 75 -12.329 -14.825 -16.671 1.00 73.21 H new ATOM 0 HA2 GLY A 75 -13.933 -15.051 -15.118 1.00 3.11 H new ATOM 0 HA3 GLY A 75 -13.063 -16.430 -14.473 1.00 3.11 H new ATOM 1007 N VAL A 76 -12.688 -13.251 -13.637 1.00 4.20 N ATOM 1008 CA VAL A 76 -12.356 -12.363 -12.529 1.00 44.34 C ATOM 1009 C VAL A 76 -13.395 -11.257 -12.381 1.00 31.55 C ATOM 1010 O VAL A 76 -14.000 -10.824 -13.360 1.00 64.14 O ATOM 1011 CB VAL A 76 -10.967 -11.724 -12.719 1.00 21.01 C ATOM 1012 CG1 VAL A 76 -10.529 -11.010 -11.449 1.00 33.41 C ATOM 1013 CG2 VAL A 76 -9.948 -12.777 -13.127 1.00 23.24 C ATOM 0 H VAL A 76 -12.999 -12.773 -14.482 1.00 4.20 H new ATOM 0 HA VAL A 76 -12.347 -12.973 -11.626 1.00 44.34 H new ATOM 0 HB VAL A 76 -11.032 -10.985 -13.518 1.00 21.01 H new ATOM 0 HG11 VAL A 76 -9.546 -10.565 -11.602 1.00 33.41 H new ATOM 0 HG12 VAL A 76 -11.248 -10.227 -11.205 1.00 33.41 H new ATOM 0 HG13 VAL A 76 -10.479 -11.725 -10.628 1.00 33.41 H new ATOM 0 HG21 VAL A 76 -8.973 -12.308 -13.257 1.00 23.24 H new ATOM 0 HG22 VAL A 76 -9.883 -13.540 -12.352 1.00 23.24 H new ATOM 0 HG23 VAL A 76 -10.257 -13.238 -14.065 1.00 23.24 H new ATOM 1023 N ASN A 77 -13.598 -10.805 -11.147 1.00 65.32 N ATOM 1024 CA ASN A 77 -14.565 -9.750 -10.869 1.00 43.44 C ATOM 1025 C ASN A 77 -13.882 -8.386 -10.818 1.00 30.21 C ATOM 1026 O ASN A 77 -13.310 -8.005 -9.796 1.00 34.30 O ATOM 1027 CB ASN A 77 -15.283 -10.023 -9.547 1.00 13.14 C ATOM 1028 CG ASN A 77 -15.835 -11.433 -9.469 1.00 72.30 C ATOM 1029 OD1 ASN A 77 -16.056 -12.083 -10.491 1.00 43.45 O ATOM 1030 ND2 ASN A 77 -16.061 -11.914 -8.252 1.00 13.11 N ATOM 0 H ASN A 77 -13.106 -11.153 -10.324 1.00 65.32 H new ATOM 0 HA ASN A 77 -15.297 -9.740 -11.677 1.00 43.44 H new ATOM 0 HB2 ASN A 77 -14.591 -9.861 -8.721 1.00 13.14 H new ATOM 0 HB3 ASN A 77 -16.098 -9.309 -9.425 1.00 13.14 H new ATOM 0 HD21 ASN A 77 -16.432 -12.857 -8.137 1.00 13.11 H new ATOM 0 HD22 ASN A 77 -15.863 -11.340 -7.432 1.00 13.11 H new ATOM 1037 N ILE A 78 -13.947 -7.656 -11.926 1.00 64.22 N ATOM 1038 CA ILE A 78 -13.337 -6.335 -12.007 1.00 5.23 C ATOM 1039 C ILE A 78 -14.322 -5.306 -12.550 1.00 75.20 C ATOM 1040 O ILE A 78 -14.326 -4.980 -13.737 1.00 74.12 O ATOM 1041 CB ILE A 78 -12.081 -6.348 -12.899 1.00 54.32 C ATOM 1042 CG1 ILE A 78 -11.052 -7.340 -12.355 1.00 21.03 C ATOM 1043 CG2 ILE A 78 -11.483 -4.952 -12.991 1.00 62.13 C ATOM 1044 CD1 ILE A 78 -9.787 -7.413 -13.181 1.00 72.23 C ATOM 0 H ILE A 78 -14.416 -7.957 -12.780 1.00 64.22 H new ATOM 0 HA ILE A 78 -13.049 -6.058 -10.993 1.00 5.23 H new ATOM 0 HB ILE A 78 -12.368 -6.666 -13.901 1.00 54.32 H new ATOM 0 HG12 ILE A 78 -10.794 -7.060 -11.334 1.00 21.03 H new ATOM 0 HG13 ILE A 78 -11.504 -8.331 -12.309 1.00 21.03 H new ATOM 0 HG21 ILE A 78 -10.596 -4.977 -13.624 1.00 62.13 H new ATOM 0 HG22 ILE A 78 -12.217 -4.270 -13.420 1.00 62.13 H new ATOM 0 HG23 ILE A 78 -11.207 -4.608 -11.994 1.00 62.13 H new ATOM 0 HD11 ILE A 78 -9.103 -8.136 -12.736 1.00 72.23 H new ATOM 0 HD12 ILE A 78 -10.033 -7.723 -14.197 1.00 72.23 H new ATOM 0 HD13 ILE A 78 -9.312 -6.432 -13.206 1.00 72.23 H new ATOM 1056 N PRO A 79 -15.179 -4.780 -11.661 1.00 65.34 N ATOM 1057 CA PRO A 79 -16.184 -3.779 -12.028 1.00 50.41 C ATOM 1058 C PRO A 79 -15.560 -2.430 -12.373 1.00 34.45 C ATOM 1059 O PRO A 79 -16.251 -1.510 -12.812 1.00 65.43 O ATOM 1060 CB PRO A 79 -17.045 -3.663 -10.768 1.00 55.01 C ATOM 1061 CG PRO A 79 -16.146 -4.078 -9.655 1.00 54.11 C ATOM 1062 CD PRO A 79 -15.231 -5.123 -10.230 1.00 45.32 C ATOM 0 HA PRO A 79 -16.743 -4.069 -12.918 1.00 50.41 H new ATOM 0 HB2 PRO A 79 -17.405 -2.644 -10.627 1.00 55.01 H new ATOM 0 HB3 PRO A 79 -17.923 -4.306 -10.828 1.00 55.01 H new ATOM 0 HG2 PRO A 79 -15.578 -3.229 -9.275 1.00 54.11 H new ATOM 0 HG3 PRO A 79 -16.719 -4.479 -8.819 1.00 54.11 H new ATOM 0 HD2 PRO A 79 -14.243 -5.088 -9.772 1.00 45.32 H new ATOM 0 HD3 PRO A 79 -15.620 -6.129 -10.072 1.00 45.32 H new ATOM 1070 N TYR A 80 -14.252 -2.320 -12.170 1.00 72.24 N ATOM 1071 CA TYR A 80 -13.536 -1.083 -12.458 1.00 21.11 C ATOM 1072 C TYR A 80 -13.366 -0.889 -13.962 1.00 13.34 C ATOM 1073 O TYR A 80 -13.598 -1.807 -14.749 1.00 0.52 O ATOM 1074 CB TYR A 80 -12.167 -1.092 -11.776 1.00 2.51 C ATOM 1075 CG TYR A 80 -12.193 -0.566 -10.359 1.00 12.54 C ATOM 1076 CD1 TYR A 80 -12.280 -1.433 -9.276 1.00 55.15 C ATOM 1077 CD2 TYR A 80 -12.132 0.798 -10.101 1.00 42.43 C ATOM 1078 CE1 TYR A 80 -12.306 -0.957 -7.980 1.00 4.02 C ATOM 1079 CE2 TYR A 80 -12.155 1.283 -8.808 1.00 43.10 C ATOM 1080 CZ TYR A 80 -12.242 0.402 -7.751 1.00 21.33 C ATOM 1081 OH TYR A 80 -12.267 0.881 -6.461 1.00 24.31 O ATOM 0 H TYR A 80 -13.666 -3.072 -11.807 1.00 72.24 H new ATOM 0 HA TYR A 80 -14.124 -0.253 -12.067 1.00 21.11 H new ATOM 0 HB2 TYR A 80 -11.781 -2.111 -11.769 1.00 2.51 H new ATOM 0 HB3 TYR A 80 -11.473 -0.492 -12.365 1.00 2.51 H new ATOM 0 HD1 TYR A 80 -12.328 -2.498 -9.451 1.00 55.15 H new ATOM 0 HD2 TYR A 80 -12.065 1.491 -10.926 1.00 42.43 H new ATOM 0 HE1 TYR A 80 -12.376 -1.645 -7.150 1.00 4.02 H new ATOM 0 HE2 TYR A 80 -12.105 2.346 -8.626 1.00 43.10 H new ATOM 0 HH TYR A 80 -12.213 1.859 -6.474 1.00 24.31 H new ATOM 1091 N LYS A 81 -12.959 0.314 -14.354 1.00 34.23 N ATOM 1092 CA LYS A 81 -12.756 0.632 -15.762 1.00 63.41 C ATOM 1093 C LYS A 81 -11.362 0.212 -16.219 1.00 31.34 C ATOM 1094 O LYS A 81 -10.368 0.499 -15.551 1.00 62.53 O ATOM 1095 CB LYS A 81 -12.952 2.130 -16.002 1.00 14.23 C ATOM 1096 CG LYS A 81 -14.270 2.664 -15.468 1.00 35.42 C ATOM 1097 CD LYS A 81 -14.673 3.953 -16.164 1.00 11.03 C ATOM 1098 CE LYS A 81 -15.802 4.656 -15.425 1.00 4.10 C ATOM 1099 NZ LYS A 81 -15.906 6.091 -15.808 1.00 41.33 N ATOM 0 H LYS A 81 -12.763 1.085 -13.715 1.00 34.23 H new ATOM 0 HA LYS A 81 -13.493 0.078 -16.343 1.00 63.41 H new ATOM 0 HB2 LYS A 81 -12.132 2.675 -15.534 1.00 14.23 H new ATOM 0 HB3 LYS A 81 -12.896 2.328 -17.072 1.00 14.23 H new ATOM 0 HG2 LYS A 81 -15.050 1.915 -15.607 1.00 35.42 H new ATOM 0 HG3 LYS A 81 -14.185 2.840 -14.396 1.00 35.42 H new ATOM 0 HD2 LYS A 81 -13.811 4.617 -16.230 1.00 11.03 H new ATOM 0 HD3 LYS A 81 -14.986 3.734 -17.185 1.00 11.03 H new ATOM 0 HE2 LYS A 81 -16.745 4.153 -15.640 1.00 4.10 H new ATOM 0 HE3 LYS A 81 -15.637 4.578 -14.350 1.00 4.10 H new ATOM 0 HZ1 LYS A 81 -16.687 6.535 -15.283 1.00 41.33 H new ATOM 0 HZ2 LYS A 81 -15.015 6.577 -15.580 1.00 41.33 H new ATOM 0 HZ3 LYS A 81 -16.089 6.165 -16.829 1.00 41.33 H new ATOM 1113 N ILE A 82 -11.298 -0.467 -17.359 1.00 24.20 N ATOM 1114 CA ILE A 82 -10.025 -0.923 -17.905 1.00 34.42 C ATOM 1115 C ILE A 82 -9.404 0.135 -18.810 1.00 74.12 C ATOM 1116 O ILE A 82 -8.198 0.127 -19.054 1.00 40.25 O ATOM 1117 CB ILE A 82 -10.191 -2.231 -18.701 1.00 72.14 C ATOM 1118 CG1 ILE A 82 -10.038 -3.440 -17.776 1.00 74.24 C ATOM 1119 CG2 ILE A 82 -9.178 -2.293 -19.835 1.00 11.03 C ATOM 1120 CD1 ILE A 82 -8.620 -3.659 -17.297 1.00 74.35 C ATOM 0 H ILE A 82 -12.112 -0.714 -17.922 1.00 24.20 H new ATOM 0 HA ILE A 82 -9.365 -1.104 -17.057 1.00 34.42 H new ATOM 0 HB ILE A 82 -11.192 -2.252 -19.132 1.00 72.14 H new ATOM 0 HG12 ILE A 82 -10.689 -3.310 -16.911 1.00 74.24 H new ATOM 0 HG13 ILE A 82 -10.378 -4.333 -18.300 1.00 74.24 H new ATOM 0 HG21 ILE A 82 -9.308 -3.223 -20.388 1.00 11.03 H new ATOM 0 HG22 ILE A 82 -9.330 -1.447 -20.506 1.00 11.03 H new ATOM 0 HG23 ILE A 82 -8.169 -2.253 -19.424 1.00 11.03 H new ATOM 0 HD11 ILE A 82 -8.587 -4.533 -16.646 1.00 74.35 H new ATOM 0 HD12 ILE A 82 -7.967 -3.821 -18.155 1.00 74.35 H new ATOM 0 HD13 ILE A 82 -8.283 -2.782 -16.745 1.00 74.35 H new ATOM 1132 N SER A 83 -10.237 1.046 -19.304 1.00 20.11 N ATOM 1133 CA SER A 83 -9.770 2.111 -20.184 1.00 73.42 C ATOM 1134 C SER A 83 -8.460 2.702 -19.674 1.00 0.44 C ATOM 1135 O SER A 83 -8.378 3.175 -18.539 1.00 61.42 O ATOM 1136 CB SER A 83 -10.829 3.209 -20.297 1.00 33.11 C ATOM 1137 OG SER A 83 -12.132 2.656 -20.369 1.00 60.23 O ATOM 0 H SER A 83 -11.238 1.068 -19.110 1.00 20.11 H new ATOM 0 HA SER A 83 -9.595 1.683 -21.171 1.00 73.42 H new ATOM 0 HB2 SER A 83 -10.760 3.875 -19.437 1.00 33.11 H new ATOM 0 HB3 SER A 83 -10.638 3.813 -21.184 1.00 33.11 H new ATOM 0 HG SER A 83 -12.791 3.378 -20.439 1.00 60.23 H new ATOM 1143 N THR A 84 -7.435 2.673 -20.520 1.00 52.31 N ATOM 1144 CA THR A 84 -6.128 3.205 -20.156 1.00 61.11 C ATOM 1145 C THR A 84 -6.221 4.676 -19.768 1.00 52.24 C ATOM 1146 O THR A 84 -5.340 5.208 -19.093 1.00 0.55 O ATOM 1147 CB THR A 84 -5.119 3.053 -21.310 1.00 24.33 C ATOM 1148 OG1 THR A 84 -5.646 3.643 -22.503 1.00 4.41 O ATOM 1149 CG2 THR A 84 -4.801 1.586 -21.561 1.00 52.32 C ATOM 0 H THR A 84 -7.485 2.286 -21.463 1.00 52.31 H new ATOM 0 HA THR A 84 -5.779 2.628 -19.299 1.00 61.11 H new ATOM 0 HB THR A 84 -4.199 3.565 -21.028 1.00 24.33 H new ATOM 0 HG1 THR A 84 -4.998 3.544 -23.231 1.00 4.41 H new ATOM 0 HG21 THR A 84 -4.087 1.504 -22.380 1.00 52.32 H new ATOM 0 HG22 THR A 84 -4.372 1.147 -20.660 1.00 52.32 H new ATOM 0 HG23 THR A 84 -5.716 1.055 -21.823 1.00 52.32 H new ATOM 1157 N THR A 85 -7.295 5.330 -20.200 1.00 13.33 N ATOM 1158 CA THR A 85 -7.504 6.741 -19.898 1.00 25.20 C ATOM 1159 C THR A 85 -8.084 6.924 -18.501 1.00 13.25 C ATOM 1160 O THR A 85 -8.255 8.049 -18.030 1.00 1.41 O ATOM 1161 CB THR A 85 -8.444 7.402 -20.923 1.00 71.33 C ATOM 1162 OG1 THR A 85 -8.457 8.821 -20.733 1.00 22.12 O ATOM 1163 CG2 THR A 85 -9.857 6.855 -20.792 1.00 75.33 C ATOM 0 H THR A 85 -8.034 4.905 -20.760 1.00 13.33 H new ATOM 0 HA THR A 85 -6.528 7.223 -19.949 1.00 25.20 H new ATOM 0 HB THR A 85 -8.074 7.174 -21.922 1.00 71.33 H new ATOM 0 HG1 THR A 85 -8.348 9.025 -19.781 1.00 22.12 H new ATOM 0 HG21 THR A 85 -10.503 7.337 -21.526 1.00 75.33 H new ATOM 0 HG22 THR A 85 -9.848 5.779 -20.967 1.00 75.33 H new ATOM 0 HG23 THR A 85 -10.234 7.057 -19.789 1.00 75.33 H new ATOM 1171 N THR A 86 -8.387 5.811 -17.839 1.00 44.14 N ATOM 1172 CA THR A 86 -8.949 5.849 -16.495 1.00 42.24 C ATOM 1173 C THR A 86 -7.878 6.176 -15.461 1.00 32.14 C ATOM 1174 O THR A 86 -6.737 5.730 -15.573 1.00 11.25 O ATOM 1175 CB THR A 86 -9.612 4.509 -16.126 1.00 30.04 C ATOM 1176 OG1 THR A 86 -10.734 4.265 -16.981 1.00 13.30 O ATOM 1177 CG2 THR A 86 -10.066 4.512 -14.674 1.00 1.23 C ATOM 0 H THR A 86 -8.252 4.872 -18.213 1.00 44.14 H new ATOM 0 HA THR A 86 -9.706 6.633 -16.490 1.00 42.24 H new ATOM 0 HB THR A 86 -8.876 3.716 -16.259 1.00 30.04 H new ATOM 0 HG1 THR A 86 -10.757 3.317 -17.228 1.00 13.30 H new ATOM 0 HG21 THR A 86 -10.531 3.555 -14.436 1.00 1.23 H new ATOM 0 HG22 THR A 86 -9.205 4.668 -14.024 1.00 1.23 H new ATOM 0 HG23 THR A 86 -10.787 5.315 -14.520 1.00 1.23 H new ATOM 1185 N ASN A 87 -8.254 6.956 -14.453 1.00 14.52 N ATOM 1186 CA ASN A 87 -7.325 7.343 -13.397 1.00 73.31 C ATOM 1187 C ASN A 87 -7.383 6.357 -12.234 1.00 12.10 C ATOM 1188 O ASN A 87 -8.362 6.318 -11.487 1.00 64.43 O ATOM 1189 CB ASN A 87 -7.644 8.754 -12.900 1.00 44.42 C ATOM 1190 CG ASN A 87 -6.411 9.484 -12.402 1.00 63.25 C ATOM 1191 OD1 ASN A 87 -5.285 9.143 -12.766 1.00 51.14 O ATOM 1192 ND2 ASN A 87 -6.619 10.493 -11.565 1.00 44.42 N ATOM 0 H ASN A 87 -9.196 7.333 -14.345 1.00 14.52 H new ATOM 0 HA ASN A 87 -6.317 7.330 -13.811 1.00 73.31 H new ATOM 0 HB2 ASN A 87 -8.100 9.326 -13.708 1.00 44.42 H new ATOM 0 HB3 ASN A 87 -8.378 8.696 -12.096 1.00 44.42 H new ATOM 0 HD21 ASN A 87 -5.828 11.021 -11.196 1.00 44.42 H new ATOM 0 HD22 ASN A 87 -7.570 10.740 -11.291 1.00 44.42 H new ATOM 1199 N CYS A 88 -6.328 5.563 -12.086 1.00 34.32 N ATOM 1200 CA CYS A 88 -6.258 4.577 -11.014 1.00 64.32 C ATOM 1201 C CYS A 88 -6.057 5.256 -9.662 1.00 75.14 C ATOM 1202 O CYS A 88 -6.115 4.610 -8.617 1.00 71.32 O ATOM 1203 CB CYS A 88 -5.118 3.590 -11.275 1.00 42.02 C ATOM 1204 SG CYS A 88 -4.994 3.038 -13.007 1.00 35.42 S ATOM 0 H CYS A 88 -5.510 5.583 -12.695 1.00 34.32 H new ATOM 0 HA CYS A 88 -7.203 4.034 -10.991 1.00 64.32 H new ATOM 0 HB2 CYS A 88 -4.176 4.055 -10.985 1.00 42.02 H new ATOM 0 HB3 CYS A 88 -5.253 2.718 -10.636 1.00 42.02 H new ATOM 1209 N ASN A 89 -5.822 6.564 -9.693 1.00 34.34 N ATOM 1210 CA ASN A 89 -5.613 7.331 -8.470 1.00 54.11 C ATOM 1211 C ASN A 89 -6.941 7.626 -7.779 1.00 54.14 C ATOM 1212 O ASN A 89 -6.983 7.900 -6.579 1.00 70.23 O ATOM 1213 CB ASN A 89 -4.887 8.641 -8.783 1.00 64.52 C ATOM 1214 CG ASN A 89 -3.464 8.413 -9.257 1.00 10.20 C ATOM 1215 OD1 ASN A 89 -2.855 7.386 -8.957 1.00 43.42 O ATOM 1216 ND2 ASN A 89 -2.928 9.374 -10.001 1.00 61.41 N ATOM 0 H ASN A 89 -5.772 7.114 -10.550 1.00 34.34 H new ATOM 0 HA ASN A 89 -4.998 6.734 -7.797 1.00 54.11 H new ATOM 0 HB2 ASN A 89 -5.439 9.186 -9.549 1.00 64.52 H new ATOM 0 HB3 ASN A 89 -4.874 9.268 -7.892 1.00 64.52 H new ATOM 0 HD21 ASN A 89 -1.974 9.278 -10.349 1.00 61.41 H new ATOM 0 HD22 ASN A 89 -3.471 10.208 -10.225 1.00 61.41 H new ATOM 1223 N THR A 90 -8.026 7.568 -8.545 1.00 75.13 N ATOM 1224 CA THR A 90 -9.356 7.829 -8.008 1.00 41.03 C ATOM 1225 C THR A 90 -10.015 6.543 -7.523 1.00 11.23 C ATOM 1226 O THR A 90 -11.202 6.527 -7.198 1.00 34.42 O ATOM 1227 CB THR A 90 -10.266 8.494 -9.059 1.00 25.32 C ATOM 1228 OG1 THR A 90 -10.487 7.597 -10.153 1.00 62.10 O ATOM 1229 CG2 THR A 90 -9.646 9.785 -9.572 1.00 21.21 C ATOM 0 H THR A 90 -8.010 7.342 -9.540 1.00 75.13 H new ATOM 0 HA THR A 90 -9.229 8.509 -7.166 1.00 41.03 H new ATOM 0 HB THR A 90 -11.219 8.730 -8.585 1.00 25.32 H new ATOM 0 HG1 THR A 90 -9.628 7.360 -10.560 1.00 62.10 H new ATOM 0 HG21 THR A 90 -10.306 10.236 -10.313 1.00 21.21 H new ATOM 0 HG22 THR A 90 -9.506 10.477 -8.741 1.00 21.21 H new ATOM 0 HG23 THR A 90 -8.681 9.568 -10.030 1.00 21.21 H new ATOM 1237 N VAL A 91 -9.237 5.466 -7.475 1.00 11.43 N ATOM 1238 CA VAL A 91 -9.745 4.175 -7.026 1.00 54.45 C ATOM 1239 C VAL A 91 -9.533 3.991 -5.528 1.00 51.41 C ATOM 1240 O VAL A 91 -9.613 2.877 -5.010 1.00 54.23 O ATOM 1241 CB VAL A 91 -9.067 3.014 -7.777 1.00 24.15 C ATOM 1242 CG1 VAL A 91 -8.916 3.347 -9.253 1.00 73.10 C ATOM 1243 CG2 VAL A 91 -7.716 2.695 -7.153 1.00 71.33 C ATOM 0 H VAL A 91 -8.252 5.462 -7.742 1.00 11.43 H new ATOM 0 HA VAL A 91 -10.813 4.163 -7.242 1.00 54.45 H new ATOM 0 HB VAL A 91 -9.700 2.131 -7.693 1.00 24.15 H new ATOM 0 HG11 VAL A 91 -8.435 2.515 -9.766 1.00 73.10 H new ATOM 0 HG12 VAL A 91 -9.900 3.523 -9.689 1.00 73.10 H new ATOM 0 HG13 VAL A 91 -8.305 4.243 -9.363 1.00 73.10 H new ATOM 0 HG21 VAL A 91 -7.250 1.872 -7.695 1.00 71.33 H new ATOM 0 HG22 VAL A 91 -7.074 3.574 -7.206 1.00 71.33 H new ATOM 0 HG23 VAL A 91 -7.855 2.410 -6.110 1.00 71.33 H new ATOM 1253 N LYS A 92 -9.262 5.092 -4.835 1.00 1.10 N ATOM 1254 CA LYS A 92 -9.039 5.054 -3.394 1.00 53.45 C ATOM 1255 C LYS A 92 -10.346 4.807 -2.648 1.00 74.33 C ATOM 1256 O LYS A 92 -11.254 5.639 -2.672 1.00 62.43 O ATOM 1257 CB LYS A 92 -8.410 6.366 -2.920 1.00 42.35 C ATOM 1258 CG LYS A 92 -8.344 6.498 -1.409 1.00 30.03 C ATOM 1259 CD LYS A 92 -9.209 7.643 -0.911 1.00 14.34 C ATOM 1260 CE LYS A 92 -8.421 8.941 -0.825 1.00 10.21 C ATOM 1261 NZ LYS A 92 -8.309 9.610 -2.150 1.00 44.55 N ATOM 0 H LYS A 92 -9.191 6.022 -5.248 1.00 1.10 H new ATOM 0 HA LYS A 92 -8.357 4.232 -3.179 1.00 53.45 H new ATOM 0 HB2 LYS A 92 -7.402 6.444 -3.327 1.00 42.35 H new ATOM 0 HB3 LYS A 92 -8.983 7.201 -3.324 1.00 42.35 H new ATOM 0 HG2 LYS A 92 -8.671 5.566 -0.947 1.00 30.03 H new ATOM 0 HG3 LYS A 92 -7.311 6.661 -1.102 1.00 30.03 H new ATOM 0 HD2 LYS A 92 -10.059 7.776 -1.580 1.00 14.34 H new ATOM 0 HD3 LYS A 92 -9.612 7.395 0.071 1.00 14.34 H new ATOM 0 HE2 LYS A 92 -8.906 9.614 -0.118 1.00 10.21 H new ATOM 0 HE3 LYS A 92 -7.424 8.735 -0.436 1.00 10.21 H new ATOM 0 HZ1 LYS A 92 -7.794 10.507 -2.043 1.00 44.55 H new ATOM 0 HZ2 LYS A 92 -7.794 8.992 -2.809 1.00 44.55 H new ATOM 0 HZ3 LYS A 92 -9.260 9.799 -2.525 1.00 44.55 H new ATOM 1275 N PHE A 93 -10.435 3.659 -1.985 1.00 75.30 N ATOM 1276 CA PHE A 93 -11.632 3.302 -1.231 1.00 43.11 C ATOM 1277 C PHE A 93 -11.703 4.084 0.077 1.00 30.24 C ATOM 1278 O PHE A 93 -10.768 4.013 0.874 1.00 51.24 O ATOM 1279 CB PHE A 93 -11.649 1.800 -0.942 1.00 73.43 C ATOM 1280 CG PHE A 93 -12.673 1.398 0.081 1.00 63.20 C ATOM 1281 CD1 PHE A 93 -12.307 0.655 1.191 1.00 23.55 C ATOM 1282 CD2 PHE A 93 -14.001 1.763 -0.068 1.00 70.10 C ATOM 1283 CE1 PHE A 93 -13.246 0.283 2.135 1.00 1.43 C ATOM 1284 CE2 PHE A 93 -14.944 1.395 0.873 1.00 55.14 C ATOM 1285 CZ PHE A 93 -14.567 0.653 1.975 1.00 42.51 C ATOM 0 H PHE A 93 -9.693 2.960 -1.954 1.00 75.30 H new ATOM 0 HA PHE A 93 -12.502 3.558 -1.835 1.00 43.11 H new ATOM 0 HB2 PHE A 93 -11.843 1.262 -1.870 1.00 73.43 H new ATOM 0 HB3 PHE A 93 -10.662 1.493 -0.596 1.00 73.43 H new ATOM 0 HD1 PHE A 93 -11.275 0.363 1.321 1.00 23.55 H new ATOM 0 HD2 PHE A 93 -14.303 2.341 -0.929 1.00 70.10 H new ATOM 0 HE1 PHE A 93 -12.947 -0.296 2.996 1.00 1.43 H new ATOM 0 HE2 PHE A 93 -15.976 1.688 0.746 1.00 55.14 H new ATOM 0 HZ PHE A 93 -15.303 0.363 2.710 1.00 42.51 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.606 -0.393 -20.323 1.00 11.13 C HETATM 1297 O1 PGM A 101 10.512 -0.116 -21.394 1.00 54.30 O HETATM 1298 C2 PGM A 101 10.174 0.072 -18.973 1.00 4.24 C HETATM 1299 O2 PGM A 101 9.930 1.471 -18.854 1.00 42.21 O HETATM 1300 C3 PGM A 101 9.322 -0.608 -17.901 1.00 44.44 C HETATM 1301 O4 PGM A 101 9.642 -1.994 -17.723 1.00 24.41 O HETATM 1302 P5 PGM A 101 8.703 -2.716 -16.625 1.00 22.14 P HETATM 1303 O5A PGM A 101 7.971 -1.906 -15.631 1.00 42.51 O HETATM 1304 O5B PGM A 101 9.430 -3.865 -16.059 1.00 22.23 O HETATM 1305 O6 PGM A 101 7.484 -3.305 -17.500 1.00 71.32 O HETATM 1306 C7 PGM A 101 7.922 -4.135 -18.567 1.00 74.24 C HETATM 1307 C8 PGM A 101 6.883 -4.508 -19.626 1.00 22.14 C HETATM 1308 O8 PGM A 101 6.397 -3.395 -20.391 1.00 11.53 O HETATM 1309 C9 PGM A 101 5.713 -5.180 -18.912 1.00 33.32 C HETATM 1310 OQ1 PGM A 101 3.419 -4.049 -18.135 1.00 0.54 O HETATM 1311 OQ2 PGM A 101 4.554 -5.134 -19.761 1.00 15.54 O HETATM 1312 CA PGM A 101 3.414 -4.592 -19.226 1.00 42.21 C HETATM 1313 CB PGM A 101 2.108 -4.604 -20.022 1.00 41.42 C HETATM 1314 CC PGM A 101 1.496 -3.198 -20.160 1.00 42.24 C HETATM 1315 CD PGM A 101 0.397 -3.128 -19.098 1.00 45.33 C HETATM 1316 CE PGM A 101 -0.953 -3.638 -19.625 1.00 14.34 C HETATM 1317 CF PGM A 101 -2.131 -2.713 -19.332 1.00 42.25 C HETATM 1318 CG PGM A 101 -3.436 -3.368 -18.863 1.00 1.15 C HETATM 1319 CH PGM A 101 -4.385 -2.396 -18.165 1.00 71.02 C HETATM 1320 CI PGM A 101 -5.312 -3.280 -17.319 1.00 30.45 C HETATM 1321 CJ PGM A 101 -5.832 -2.522 -16.099 1.00 50.31 C HETATM 1322 CK PGM A 101 -4.738 -2.240 -15.069 1.00 54.33 C HETATM 1323 CL PGM A 101 -4.709 -3.372 -14.040 1.00 54.22 C HETATM 1324 CM PGM A 101 -5.748 -2.951 -12.997 1.00 2.21 C HETATM 1325 CN PGM A 101 -6.261 -4.266 -12.428 1.00 32.12 C HETATM 1326 CO PGM A 101 -5.206 -4.746 -11.420 1.00 31.41 C HETATM 1327 CP PGM A 101 -4.197 -5.810 -11.857 1.00 14.44 C HETATM 0 HCP3 PGM A 101 -4.728 -6.716 -12.151 1.00 14.44 H new HETATM 0 HCP2 PGM A 101 -3.619 -5.438 -12.703 1.00 14.44 H new HETATM 0 HCP1 PGM A 101 -3.525 -6.036 -11.029 1.00 14.44 H new HETATM 0 HCO2 PGM A 101 -4.643 -3.873 -11.091 1.00 31.41 H new HETATM 0 HCO1 PGM A 101 -5.734 -5.131 -10.548 1.00 31.41 H new HETATM 0 HCN2 PGM A 101 -7.227 -4.128 -11.942 1.00 32.12 H new HETATM 0 HCN1 PGM A 101 -6.404 -5.002 -13.220 1.00 32.12 H new HETATM 0 HCM2 PGM A 101 -5.303 -2.328 -12.221 1.00 2.21 H new HETATM 0 HCM1 PGM A 101 -6.553 -2.371 -13.449 1.00 2.21 H new HETATM 0 HCL2 PGM A 101 -4.964 -4.330 -14.493 1.00 54.22 H new HETATM 0 HCL1 PGM A 101 -3.720 -3.483 -13.596 1.00 54.22 H new HETATM 0 HCK2 PGM A 101 -3.770 -2.157 -15.563 1.00 54.33 H new HETATM 0 HCK1 PGM A 101 -4.926 -1.287 -14.574 1.00 54.33 H new HETATM 0 HCJ2 PGM A 101 -6.272 -1.579 -16.423 1.00 50.31 H new HETATM 0 HCJ1 PGM A 101 -6.627 -3.100 -15.629 1.00 50.31 H new HETATM 0 HCI2 PGM A 101 -6.152 -3.618 -17.926 1.00 30.45 H new HETATM 0 HCI1 PGM A 101 -4.774 -4.171 -16.995 1.00 30.45 H new HETATM 0 HCH2 PGM A 101 -3.837 -1.689 -17.542 1.00 71.02 H new HETATM 0 HCH1 PGM A 101 -4.952 -1.810 -18.889 1.00 71.02 H new HETATM 0 HCG2 PGM A 101 -3.944 -3.806 -19.723 1.00 1.15 H new HETATM 0 HCG1 PGM A 101 -3.199 -4.186 -18.182 1.00 1.15 H new HETATM 0 HCF2 PGM A 101 -1.819 -1.999 -18.570 1.00 42.25 H new HETATM 0 HCF1 PGM A 101 -2.345 -2.142 -20.235 1.00 42.25 H new HETATM 0 HCE2 PGM A 101 -0.878 -3.782 -20.703 1.00 14.34 H new HETATM 0 HCE1 PGM A 101 -1.155 -4.615 -19.186 1.00 14.34 H new HETATM 0 HCD2 PGM A 101 0.693 -3.719 -18.231 1.00 45.33 H new HETATM 0 HCD1 PGM A 101 0.287 -2.098 -18.759 1.00 45.33 H new HETATM 0 HCC2 PGM A 101 2.247 -2.425 -20.000 1.00 42.24 H new HETATM 0 HCC1 PGM A 101 1.088 -3.043 -21.159 1.00 42.24 H new HETATM 0 HCB2 PGM A 101 2.293 -5.016 -21.014 1.00 41.42 H new HETATM 0 HCB1 PGM A 101 1.392 -5.263 -19.531 1.00 41.42 H new HETATM 0 HC92 PGM A 101 5.963 -6.214 -18.672 1.00 33.32 H new HETATM 0 HC91 PGM A 101 5.508 -4.674 -17.968 1.00 33.32 H new HETATM 0 HC72 PGM A 101 8.751 -3.635 -19.067 1.00 74.24 H new HETATM 0 HC71 PGM A 101 8.317 -5.057 -18.140 1.00 74.24 H new HETATM 0 HC32 PGM A 101 9.456 -0.086 -16.954 1.00 44.44 H new HETATM 0 HC31 PGM A 101 8.270 -0.516 -18.169 1.00 44.44 H new HETATM 0 HC12 PGM A 101 8.655 0.106 -20.511 1.00 11.13 H new HETATM 0 HC11 PGM A 101 9.402 -1.463 -20.284 1.00 11.13 H new HETATM 0 HO8 PGM A 101 5.419 -3.438 -20.446 1.00 11.53 H new HETATM 0 HO2 PGM A 101 10.282 1.793 -17.998 1.00 42.21 H new HETATM 0 HO1 PGM A 101 10.054 0.411 -22.082 1.00 54.30 H new HETATM 0 HC8 PGM A 101 7.370 -5.170 -20.343 1.00 22.14 H new HETATM 0 HC2 PGM A 101 11.236 -0.155 -18.882 1.00 4.24 H new