USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 19 ASN : amide:sc= -4.55! C(o=-8.4!,f=-9!) USER MOD Set 1.2: A 55 ASN : amide:sc= -3.84! C(o=-8.4!,f=-13!) USER MOD Set 2.1: A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -109:sc= -0.967 (180deg=-2.07!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -9.22! C(o=-9.2!,f=-8.9!) USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= -0.973 (180deg=-2.17) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0.599 (180deg=0.314) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -164:sc= -0.789 (180deg=-2.21!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= -0.282 (180deg=-1.95!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -103:sc= -0.0491 (180deg=-0.626) USER MOD Single : A 45 SER OG : rot 149:sc= -1.93! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.389) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 36:sc= -3.54! USER MOD Single : A 60 ASN : amide:sc= -5.8! C(o=-5.8!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.424 46.099 -25.266 1.00 1.26 N ATOM 2 CA LEU A 1 66.155 46.510 -26.673 1.00 0.65 C ATOM 3 C LEU A 1 64.648 46.510 -26.941 1.00 0.58 C ATOM 4 O LEU A 1 63.972 45.524 -26.730 1.00 0.77 O ATOM 5 CB LEU A 1 66.859 45.461 -27.531 1.00 1.19 C ATOM 6 CG LEU A 1 67.548 46.147 -28.712 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.529 46.989 -29.483 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.666 47.054 -28.193 1.00 1.53 C ATOM 0 H1 LEU A 1 67.450 46.102 -25.094 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.961 46.765 -24.615 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.049 45.142 -25.106 1.00 1.26 H new ATOM 0 HA LEU A 1 66.514 47.516 -26.890 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.592 44.919 -26.933 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.138 44.728 -27.893 1.00 1.19 H new ATOM 0 HG LEU A 1 67.968 45.390 -29.374 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.022 47.477 -30.324 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.731 46.345 -29.854 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.107 47.745 -28.821 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.158 47.543 -29.034 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.244 47.809 -27.530 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.394 46.456 -27.645 1.00 1.53 H new ATOM 22 N LYS A 2 64.118 47.610 -27.402 1.00 0.45 N ATOM 23 CA LYS A 2 62.651 47.676 -27.684 1.00 0.53 C ATOM 24 C LYS A 2 62.416 48.033 -29.155 1.00 0.43 C ATOM 25 O LYS A 2 63.051 48.914 -29.694 1.00 0.59 O ATOM 26 CB LYS A 2 62.114 48.787 -26.775 1.00 0.71 C ATOM 27 CG LYS A 2 61.238 48.180 -25.678 1.00 1.14 C ATOM 28 CD LYS A 2 62.096 47.844 -24.456 1.00 1.23 C ATOM 29 CE LYS A 2 62.637 49.134 -23.827 1.00 1.98 C ATOM 30 NZ LYS A 2 61.592 49.552 -22.852 1.00 2.63 N ATOM 0 H LYS A 2 64.635 48.467 -27.596 1.00 0.45 H new ATOM 0 HA LYS A 2 62.154 46.724 -27.498 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.943 49.337 -26.329 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.536 49.502 -27.361 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.451 48.880 -25.399 1.00 1.14 H new ATOM 0 HG3 LYS A 2 60.748 47.280 -26.048 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.504 47.293 -23.725 1.00 1.23 H new ATOM 0 HD3 LYS A 2 62.923 47.197 -24.748 1.00 1.23 H new ATOM 0 HE2 LYS A 2 63.593 48.962 -23.332 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.803 49.902 -24.582 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 61.889 50.429 -22.379 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 60.695 49.715 -23.353 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 61.461 48.804 -22.142 1.00 2.63 H new ATOM 44 N CYS A 3 61.514 47.354 -29.812 1.00 0.40 N ATOM 45 CA CYS A 3 61.258 47.667 -31.254 1.00 0.40 C ATOM 46 C CYS A 3 59.760 47.873 -31.518 1.00 0.40 C ATOM 47 O CYS A 3 58.924 47.164 -30.987 1.00 0.44 O ATOM 48 CB CYS A 3 61.771 46.447 -32.014 1.00 0.54 C ATOM 49 SG CYS A 3 63.575 46.373 -31.870 1.00 0.68 S ATOM 0 H CYS A 3 60.947 46.602 -29.420 1.00 0.40 H new ATOM 0 HA CYS A 3 61.752 48.588 -31.563 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.324 45.538 -31.611 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.480 46.508 -33.063 1.00 0.54 H new ATOM 54 N ASN A 4 59.415 48.831 -32.350 1.00 0.43 N ATOM 55 CA ASN A 4 57.972 49.065 -32.653 1.00 0.49 C ATOM 56 C ASN A 4 57.316 47.734 -32.999 1.00 0.49 C ATOM 57 O ASN A 4 57.804 47.000 -33.834 1.00 0.55 O ATOM 58 CB ASN A 4 57.936 49.981 -33.882 1.00 0.60 C ATOM 59 CG ASN A 4 58.491 51.363 -33.540 1.00 0.99 C ATOM 60 OD1 ASN A 4 57.789 52.194 -32.999 1.00 1.93 O ATOM 61 ND2 ASN A 4 59.728 51.650 -33.835 1.00 1.09 N ATOM 0 H ASN A 4 60.067 49.454 -32.826 1.00 0.43 H new ATOM 0 HA ASN A 4 57.447 49.508 -31.807 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.520 49.538 -34.689 1.00 0.60 H new ATOM 0 HB3 ASN A 4 56.912 50.074 -34.243 1.00 0.60 H new ATOM 0 HD21 ASN A 4 60.105 52.571 -33.612 1.00 1.09 H new ATOM 0 HD22 ASN A 4 60.319 50.953 -34.289 1.00 1.09 H new ATOM 68 N LYS A 5 56.216 47.407 -32.389 1.00 0.52 N ATOM 69 CA LYS A 5 55.563 46.126 -32.726 1.00 0.60 C ATOM 70 C LYS A 5 54.548 46.370 -33.844 1.00 0.71 C ATOM 71 O LYS A 5 54.370 47.482 -34.295 1.00 1.48 O ATOM 72 CB LYS A 5 54.910 45.661 -31.410 1.00 0.68 C ATOM 73 CG LYS A 5 53.417 45.408 -31.603 1.00 1.03 C ATOM 74 CD LYS A 5 52.736 45.230 -30.245 1.00 1.48 C ATOM 75 CE LYS A 5 53.563 44.288 -29.367 1.00 1.84 C ATOM 76 NZ LYS A 5 54.262 45.178 -28.397 1.00 2.49 N ATOM 0 H LYS A 5 55.747 47.968 -31.678 1.00 0.52 H new ATOM 0 HA LYS A 5 56.244 45.360 -33.097 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.395 44.750 -31.061 1.00 0.68 H new ATOM 0 HB3 LYS A 5 55.058 46.417 -30.639 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.965 46.242 -32.139 1.00 1.03 H new ATOM 0 HG3 LYS A 5 53.267 44.518 -32.214 1.00 1.03 H new ATOM 0 HD2 LYS A 5 52.627 46.197 -29.754 1.00 1.48 H new ATOM 0 HD3 LYS A 5 51.733 44.827 -30.382 1.00 1.48 H new ATOM 0 HE2 LYS A 5 52.927 43.567 -28.853 1.00 1.84 H new ATOM 0 HE3 LYS A 5 54.275 43.717 -29.963 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 55.224 44.821 -28.229 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 54.313 46.142 -28.785 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 53.737 45.193 -27.499 1.00 2.49 H new ATOM 90 N LEU A 6 53.895 45.337 -34.290 1.00 0.53 N ATOM 91 CA LEU A 6 52.898 45.484 -35.385 1.00 0.57 C ATOM 92 C LEU A 6 52.152 46.823 -35.300 1.00 0.62 C ATOM 93 O LEU A 6 51.983 47.499 -36.295 1.00 0.72 O ATOM 94 CB LEU A 6 51.951 44.309 -35.197 1.00 0.59 C ATOM 95 CG LEU A 6 51.856 43.526 -36.502 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.755 42.473 -36.384 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.530 44.482 -37.654 1.00 0.78 C ATOM 0 H LEU A 6 54.010 44.386 -33.939 1.00 0.53 H new ATOM 0 HA LEU A 6 53.369 45.483 -36.368 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.310 43.662 -34.396 1.00 0.59 H new ATOM 0 HB3 LEU A 6 50.965 44.666 -34.901 1.00 0.59 H new ATOM 0 HG LEU A 6 52.809 43.035 -36.700 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.686 41.913 -37.316 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.990 41.791 -35.567 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.802 42.964 -36.184 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.463 43.920 -38.585 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.578 44.976 -37.459 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.317 45.231 -37.739 1.00 0.78 H new ATOM 109 N VAL A 7 51.711 47.232 -34.138 1.00 0.61 N ATOM 110 CA VAL A 7 50.997 48.535 -34.061 1.00 0.71 C ATOM 111 C VAL A 7 52.008 49.690 -34.003 1.00 0.70 C ATOM 112 O VAL A 7 53.023 49.585 -33.342 1.00 0.62 O ATOM 113 CB VAL A 7 50.174 48.486 -32.777 1.00 0.73 C ATOM 114 CG1 VAL A 7 49.299 49.737 -32.713 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.284 47.241 -32.781 1.00 0.79 C ATOM 0 H VAL A 7 51.813 46.729 -33.256 1.00 0.61 H new ATOM 0 HA VAL A 7 50.365 48.700 -34.934 1.00 0.71 H new ATOM 0 HB VAL A 7 50.837 48.446 -31.912 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.703 49.718 -31.800 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.932 50.624 -32.715 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.636 49.762 -33.578 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.698 47.210 -31.862 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.612 47.277 -33.639 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.907 46.349 -32.845 1.00 0.79 H new ATOM 125 N PRO A 8 51.699 50.766 -34.694 1.00 0.84 N ATOM 126 CA PRO A 8 52.594 51.956 -34.720 1.00 0.91 C ATOM 127 C PRO A 8 52.578 52.707 -33.374 1.00 0.92 C ATOM 128 O PRO A 8 52.639 53.920 -33.345 1.00 1.21 O ATOM 129 CB PRO A 8 51.940 52.833 -35.793 1.00 1.09 C ATOM 130 CG PRO A 8 50.680 52.120 -36.320 1.00 1.12 C ATOM 131 CD PRO A 8 50.456 50.850 -35.494 1.00 0.97 C ATOM 0 HA PRO A 8 53.635 51.695 -34.911 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.677 53.805 -35.376 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.639 53.015 -36.609 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.814 52.778 -36.245 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.800 51.870 -37.374 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.571 50.927 -34.862 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.320 49.973 -36.127 1.00 0.97 H new ATOM 139 N LEU A 9 52.491 52.019 -32.263 1.00 0.78 N ATOM 140 CA LEU A 9 52.463 52.727 -30.954 1.00 0.82 C ATOM 141 C LEU A 9 53.171 51.900 -29.885 1.00 0.72 C ATOM 142 O LEU A 9 53.927 52.416 -29.084 1.00 0.84 O ATOM 143 CB LEU A 9 50.981 52.865 -30.603 1.00 0.87 C ATOM 144 CG LEU A 9 50.525 54.305 -30.824 1.00 1.12 C ATOM 145 CD1 LEU A 9 49.809 54.408 -32.170 1.00 1.82 C ATOM 146 CD2 LEU A 9 49.561 54.700 -29.705 1.00 1.60 C ATOM 0 H LEU A 9 52.439 51.002 -32.209 1.00 0.78 H new ATOM 0 HA LEU A 9 52.969 53.691 -31.007 1.00 0.82 H new ATOM 0 HB2 LEU A 9 50.388 52.188 -31.219 1.00 0.87 H new ATOM 0 HB3 LEU A 9 50.816 52.578 -29.564 1.00 0.87 H new ATOM 0 HG LEU A 9 51.388 54.971 -30.819 1.00 1.12 H new ATOM 0 HD11 LEU A 9 49.482 55.435 -32.331 1.00 1.82 H new ATOM 0 HD12 LEU A 9 50.491 54.115 -32.968 1.00 1.82 H new ATOM 0 HD13 LEU A 9 48.942 53.747 -32.173 1.00 1.82 H new ATOM 0 HD21 LEU A 9 49.230 55.728 -29.855 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.697 54.035 -29.717 1.00 1.60 H new ATOM 0 HD23 LEU A 9 50.067 54.619 -28.743 1.00 1.60 H new ATOM 158 N PHE A 10 52.923 50.621 -29.854 1.00 0.57 N ATOM 159 CA PHE A 10 53.579 49.778 -28.821 1.00 0.55 C ATOM 160 C PHE A 10 54.741 49.004 -29.425 1.00 0.49 C ATOM 161 O PHE A 10 54.902 48.922 -30.627 1.00 0.52 O ATOM 162 CB PHE A 10 52.530 48.784 -28.293 1.00 0.62 C ATOM 163 CG PHE A 10 51.127 49.114 -28.771 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.621 50.413 -28.631 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.319 48.108 -29.321 1.00 0.75 C ATOM 166 CE1 PHE A 10 49.319 50.708 -29.044 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.012 48.405 -29.726 1.00 0.89 C ATOM 168 CZ PHE A 10 48.512 49.704 -29.589 1.00 0.94 C ATOM 0 H PHE A 10 52.300 50.128 -30.494 1.00 0.57 H new ATOM 0 HA PHE A 10 53.964 50.407 -28.019 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.793 47.777 -28.616 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.549 48.785 -27.203 1.00 0.62 H new ATOM 0 HD1 PHE A 10 51.239 51.188 -28.203 1.00 0.77 H new ATOM 0 HD2 PHE A 10 50.705 47.105 -29.432 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.935 51.712 -28.942 1.00 0.92 H new ATOM 0 HE2 PHE A 10 48.388 47.629 -30.145 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.504 49.931 -29.904 1.00 0.94 H new ATOM 178 N TYR A 11 55.544 48.433 -28.585 1.00 0.47 N ATOM 179 CA TYR A 11 56.702 47.636 -29.060 1.00 0.44 C ATOM 180 C TYR A 11 56.998 46.542 -28.052 1.00 0.49 C ATOM 181 O TYR A 11 56.513 46.562 -26.936 1.00 0.62 O ATOM 182 CB TYR A 11 57.875 48.611 -29.156 1.00 0.42 C ATOM 183 CG TYR A 11 57.793 49.628 -28.044 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.909 50.703 -28.157 1.00 0.69 C ATOM 185 CD2 TYR A 11 58.594 49.492 -26.907 1.00 0.70 C ATOM 186 CE1 TYR A 11 56.823 51.645 -27.131 1.00 0.80 C ATOM 187 CE2 TYR A 11 58.510 50.434 -25.878 1.00 0.76 C ATOM 188 CZ TYR A 11 57.624 51.513 -25.989 1.00 0.67 C ATOM 189 OH TYR A 11 57.541 52.444 -24.976 1.00 0.83 O ATOM 0 H TYR A 11 55.447 48.484 -27.571 1.00 0.47 H new ATOM 0 HA TYR A 11 56.512 47.162 -30.023 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.817 48.067 -29.093 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.862 49.115 -30.122 1.00 0.42 H new ATOM 0 HD1 TYR A 11 56.292 50.805 -29.038 1.00 0.69 H new ATOM 0 HD2 TYR A 11 59.277 48.660 -26.824 1.00 0.70 H new ATOM 0 HE1 TYR A 11 56.139 52.476 -27.217 1.00 0.80 H new ATOM 0 HE2 TYR A 11 59.128 50.330 -24.998 1.00 0.76 H new ATOM 0 HH TYR A 11 58.163 52.203 -24.258 1.00 0.83 H new ATOM 199 N LYS A 12 57.812 45.607 -28.411 1.00 0.50 N ATOM 200 CA LYS A 12 58.156 44.535 -27.446 1.00 0.59 C ATOM 201 C LYS A 12 59.659 44.551 -27.223 1.00 0.49 C ATOM 202 O LYS A 12 60.394 45.201 -27.939 1.00 0.49 O ATOM 203 CB LYS A 12 57.699 43.205 -28.062 1.00 0.74 C ATOM 204 CG LYS A 12 57.634 43.295 -29.592 1.00 1.20 C ATOM 205 CD LYS A 12 56.891 42.073 -30.131 1.00 1.50 C ATOM 206 CE LYS A 12 57.839 41.227 -30.984 1.00 1.68 C ATOM 207 NZ LYS A 12 56.983 40.660 -32.066 1.00 2.19 N ATOM 0 H LYS A 12 58.256 45.534 -29.327 1.00 0.50 H new ATOM 0 HA LYS A 12 57.667 44.676 -26.482 1.00 0.59 H new ATOM 0 HB2 LYS A 12 58.387 42.411 -27.771 1.00 0.74 H new ATOM 0 HB3 LYS A 12 56.718 42.937 -27.669 1.00 0.74 H new ATOM 0 HG2 LYS A 12 57.124 44.209 -29.894 1.00 1.20 H new ATOM 0 HG3 LYS A 12 58.640 43.339 -30.010 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.502 41.478 -29.305 1.00 1.50 H new ATOM 0 HD3 LYS A 12 56.035 42.390 -30.727 1.00 1.50 H new ATOM 0 HE2 LYS A 12 58.646 41.833 -31.396 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.303 40.437 -30.393 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 57.487 39.880 -32.535 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 56.097 40.302 -31.656 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 56.768 41.401 -32.763 1.00 2.19 H new ATOM 221 N THR A 13 60.131 43.862 -26.233 1.00 0.64 N ATOM 222 CA THR A 13 61.591 43.872 -25.986 1.00 0.62 C ATOM 223 C THR A 13 62.255 42.725 -26.737 1.00 0.66 C ATOM 224 O THR A 13 61.810 41.594 -26.686 1.00 0.75 O ATOM 225 CB THR A 13 61.750 43.686 -24.478 1.00 0.70 C ATOM 226 OG1 THR A 13 61.166 44.789 -23.798 1.00 1.06 O ATOM 227 CG2 THR A 13 63.237 43.601 -24.134 1.00 1.08 C ATOM 0 H THR A 13 59.577 43.297 -25.589 1.00 0.64 H new ATOM 0 HA THR A 13 62.058 44.795 -26.329 1.00 0.62 H new ATOM 0 HB THR A 13 61.251 42.768 -24.169 1.00 0.70 H new ATOM 0 HG1 THR A 13 61.267 44.668 -22.831 1.00 1.06 H new ATOM 0 HG21 THR A 13 63.355 43.468 -23.059 1.00 1.08 H new ATOM 0 HG22 THR A 13 63.683 42.754 -24.655 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.735 44.520 -24.443 1.00 1.08 H new ATOM 235 N CYS A 14 63.325 43.001 -27.422 1.00 0.65 N ATOM 236 CA CYS A 14 64.023 41.913 -28.158 1.00 0.76 C ATOM 237 C CYS A 14 64.785 41.057 -27.142 1.00 0.87 C ATOM 238 O CYS A 14 65.209 41.552 -26.116 1.00 0.99 O ATOM 239 CB CYS A 14 64.984 42.601 -29.144 1.00 0.75 C ATOM 240 SG CYS A 14 64.260 44.123 -29.816 1.00 1.34 S ATOM 0 H CYS A 14 63.746 43.927 -27.505 1.00 0.65 H new ATOM 0 HA CYS A 14 63.338 41.263 -28.701 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.921 42.834 -28.639 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.222 41.918 -29.959 1.00 0.75 H new ATOM 245 N PRO A 15 64.905 39.789 -27.440 1.00 1.06 N ATOM 246 CA PRO A 15 65.587 38.847 -26.519 1.00 1.31 C ATOM 247 C PRO A 15 67.002 39.331 -26.179 1.00 1.16 C ATOM 248 O PRO A 15 67.316 40.491 -26.324 1.00 1.40 O ATOM 249 CB PRO A 15 65.602 37.549 -27.330 1.00 1.54 C ATOM 250 CG PRO A 15 64.936 37.802 -28.695 1.00 1.54 C ATOM 251 CD PRO A 15 64.385 39.231 -28.711 1.00 1.24 C ATOM 0 HA PRO A 15 65.095 38.740 -25.552 1.00 1.31 H new ATOM 0 HB2 PRO A 15 66.627 37.204 -27.469 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.072 36.763 -26.792 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.658 37.666 -29.500 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.133 37.085 -28.863 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.739 39.793 -29.576 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.296 39.246 -28.745 1.00 1.24 H new ATOM 259 N ALA A 16 67.854 38.458 -25.705 1.00 1.32 N ATOM 260 CA ALA A 16 69.243 38.885 -25.347 1.00 1.21 C ATOM 261 C ALA A 16 70.189 38.745 -26.550 1.00 0.92 C ATOM 262 O ALA A 16 70.126 37.786 -27.292 1.00 1.02 O ATOM 263 CB ALA A 16 69.667 37.947 -24.218 1.00 1.58 C ATOM 0 H ALA A 16 67.650 37.471 -25.550 1.00 1.32 H new ATOM 0 HA ALA A 16 69.280 39.932 -25.048 1.00 1.21 H new ATOM 0 HB1 ALA A 16 70.679 38.196 -23.898 1.00 1.58 H new ATOM 0 HB2 ALA A 16 68.983 38.058 -23.377 1.00 1.58 H new ATOM 0 HB3 ALA A 16 69.642 36.917 -24.572 1.00 1.58 H new ATOM 269 N GLY A 17 71.075 39.690 -26.733 1.00 0.84 N ATOM 270 CA GLY A 17 72.032 39.616 -27.880 1.00 0.75 C ATOM 271 C GLY A 17 71.341 40.118 -29.142 1.00 0.63 C ATOM 272 O GLY A 17 71.379 39.490 -30.183 1.00 0.83 O ATOM 0 H GLY A 17 71.178 40.511 -26.137 1.00 0.84 H new ATOM 0 HA2 GLY A 17 72.916 40.218 -27.671 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.371 38.590 -28.020 1.00 0.75 H new ATOM 276 N LYS A 18 70.701 41.245 -29.053 1.00 0.60 N ATOM 277 CA LYS A 18 69.986 41.799 -30.234 1.00 0.58 C ATOM 278 C LYS A 18 69.954 43.329 -30.189 1.00 0.59 C ATOM 279 O LYS A 18 69.931 43.933 -29.134 1.00 0.88 O ATOM 280 CB LYS A 18 68.569 41.216 -30.176 1.00 0.71 C ATOM 281 CG LYS A 18 68.142 40.958 -28.713 1.00 1.60 C ATOM 282 CD LYS A 18 67.995 42.278 -27.935 1.00 2.39 C ATOM 283 CE LYS A 18 69.053 42.355 -26.828 1.00 2.98 C ATOM 284 NZ LYS A 18 68.340 42.890 -25.632 1.00 3.59 N ATOM 0 H LYS A 18 70.641 41.812 -28.207 1.00 0.60 H new ATOM 0 HA LYS A 18 70.488 41.532 -31.164 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.868 41.904 -30.648 1.00 0.71 H new ATOM 0 HB3 LYS A 18 68.531 40.284 -30.741 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.196 40.416 -28.698 1.00 1.60 H new ATOM 0 HG3 LYS A 18 68.880 40.324 -28.222 1.00 1.60 H new ATOM 0 HD2 LYS A 18 68.105 43.124 -28.614 1.00 2.39 H new ATOM 0 HD3 LYS A 18 66.997 42.345 -27.501 1.00 2.39 H new ATOM 0 HE2 LYS A 18 69.480 41.373 -26.624 1.00 2.98 H new ATOM 0 HE3 LYS A 18 69.877 43.007 -27.118 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 68.655 43.864 -25.447 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 67.315 42.885 -25.808 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 68.552 42.294 -24.806 1.00 3.59 H new ATOM 298 N ASN A 19 69.930 43.955 -31.328 1.00 0.40 N ATOM 299 CA ASN A 19 69.871 45.438 -31.392 1.00 0.50 C ATOM 300 C ASN A 19 69.127 45.821 -32.666 1.00 0.47 C ATOM 301 O ASN A 19 69.343 46.873 -33.237 1.00 0.60 O ATOM 302 CB ASN A 19 71.330 45.901 -31.442 1.00 0.65 C ATOM 303 CG ASN A 19 71.401 47.423 -31.270 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.883 48.165 -32.081 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.030 47.922 -30.241 1.00 1.75 N ATOM 0 H ASN A 19 69.949 43.491 -32.236 1.00 0.40 H new ATOM 0 HA ASN A 19 69.355 45.893 -30.547 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.903 45.410 -30.656 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.780 45.612 -32.392 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.086 48.933 -30.119 1.00 1.75 H new ATOM 0 HD22 ASN A 19 72.465 47.301 -29.559 1.00 1.75 H new ATOM 312 N LEU A 20 68.274 44.950 -33.144 1.00 0.40 N ATOM 313 CA LEU A 20 67.545 45.241 -34.400 1.00 0.48 C ATOM 314 C LEU A 20 66.031 45.159 -34.210 1.00 0.38 C ATOM 315 O LEU A 20 65.527 44.603 -33.253 1.00 0.56 O ATOM 316 CB LEU A 20 67.992 44.147 -35.372 1.00 0.64 C ATOM 317 CG LEU A 20 68.696 44.775 -36.566 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.195 44.514 -36.478 1.00 1.13 C ATOM 319 CD2 LEU A 20 68.160 44.172 -37.861 1.00 1.34 C ATOM 0 H LEU A 20 68.056 44.052 -32.713 1.00 0.40 H new ATOM 0 HA LEU A 20 67.761 46.250 -34.752 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.662 43.451 -34.868 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.129 43.572 -35.708 1.00 0.64 H new ATOM 0 HG LEU A 20 68.510 45.849 -36.559 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.694 44.966 -37.335 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.587 44.950 -35.559 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.378 43.439 -36.477 1.00 1.13 H new ATOM 0 HD21 LEU A 20 68.668 44.626 -38.712 1.00 1.34 H new ATOM 0 HD22 LEU A 20 68.339 43.097 -37.863 1.00 1.34 H new ATOM 0 HD23 LEU A 20 67.089 44.362 -37.935 1.00 1.34 H new ATOM 331 N CYS A 21 65.324 45.681 -35.160 1.00 0.29 N ATOM 332 CA CYS A 21 63.838 45.633 -35.146 1.00 0.31 C ATOM 333 C CYS A 21 63.428 45.245 -36.561 1.00 0.32 C ATOM 334 O CYS A 21 63.739 45.944 -37.508 1.00 0.49 O ATOM 335 CB CYS A 21 63.389 47.053 -34.798 1.00 0.44 C ATOM 336 SG CYS A 21 64.246 47.614 -33.311 1.00 0.57 S ATOM 0 H CYS A 21 65.722 46.154 -35.971 1.00 0.29 H new ATOM 0 HA CYS A 21 63.402 44.929 -34.437 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.602 47.726 -35.628 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.311 47.075 -34.639 1.00 0.44 H new ATOM 341 N TYR A 22 62.808 44.114 -36.745 1.00 0.30 N ATOM 342 CA TYR A 22 62.497 43.711 -38.140 1.00 0.31 C ATOM 343 C TYR A 22 61.006 43.833 -38.493 1.00 0.31 C ATOM 344 O TYR A 22 60.139 43.847 -37.642 1.00 0.41 O ATOM 345 CB TYR A 22 62.999 42.268 -38.264 1.00 0.36 C ATOM 346 CG TYR A 22 61.910 41.288 -37.919 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.613 41.014 -36.582 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.213 40.645 -38.942 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.613 40.089 -36.268 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.210 39.722 -38.630 1.00 0.63 C ATOM 351 CZ TYR A 22 59.910 39.443 -37.293 1.00 0.55 C ATOM 352 OH TYR A 22 58.922 38.527 -36.988 1.00 0.66 O ATOM 0 H TYR A 22 62.511 43.469 -36.013 1.00 0.30 H new ATOM 0 HA TYR A 22 62.986 44.378 -38.850 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.348 42.086 -39.280 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.852 42.118 -37.602 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.154 41.515 -35.793 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.448 40.860 -39.974 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.382 39.872 -35.235 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.668 39.225 -39.421 1.00 0.63 H new ATOM 0 HH TYR A 22 58.536 38.175 -37.817 1.00 0.66 H new ATOM 362 N LYS A 23 60.734 43.914 -39.771 1.00 0.39 N ATOM 363 CA LYS A 23 59.335 44.026 -40.279 1.00 0.44 C ATOM 364 C LYS A 23 59.221 43.152 -41.540 1.00 0.45 C ATOM 365 O LYS A 23 59.671 43.524 -42.606 1.00 0.54 O ATOM 366 CB LYS A 23 59.166 45.514 -40.612 1.00 0.56 C ATOM 367 CG LYS A 23 57.683 45.877 -40.664 1.00 1.11 C ATOM 368 CD LYS A 23 57.478 47.285 -40.094 1.00 1.49 C ATOM 369 CE LYS A 23 58.128 48.313 -41.025 1.00 1.72 C ATOM 370 NZ LYS A 23 57.679 49.638 -40.513 1.00 2.18 N ATOM 0 H LYS A 23 61.445 43.907 -40.502 1.00 0.39 H new ATOM 0 HA LYS A 23 58.572 43.695 -39.574 1.00 0.44 H new ATOM 0 HB2 LYS A 23 59.671 46.122 -39.861 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.636 45.736 -41.570 1.00 0.56 H new ATOM 0 HG2 LYS A 23 57.324 45.834 -41.692 1.00 1.11 H new ATOM 0 HG3 LYS A 23 57.101 45.154 -40.092 1.00 1.11 H new ATOM 0 HD2 LYS A 23 56.414 47.495 -39.990 1.00 1.49 H new ATOM 0 HD3 LYS A 23 57.916 47.353 -39.098 1.00 1.49 H new ATOM 0 HE2 LYS A 23 59.215 48.231 -41.006 1.00 1.72 H new ATOM 0 HE3 LYS A 23 57.815 48.163 -42.058 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 58.085 50.393 -41.102 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 56.641 49.691 -40.549 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 57.997 49.756 -39.530 1.00 2.18 H new ATOM 384 N MET A 24 58.675 41.968 -41.413 1.00 0.47 N ATOM 385 CA MET A 24 58.593 41.044 -42.596 1.00 0.53 C ATOM 386 C MET A 24 57.250 41.132 -43.317 1.00 0.53 C ATOM 387 O MET A 24 56.213 40.877 -42.740 1.00 0.59 O ATOM 388 CB MET A 24 58.757 39.650 -41.995 1.00 0.63 C ATOM 389 CG MET A 24 59.260 38.683 -43.065 1.00 0.99 C ATOM 390 SD MET A 24 58.797 36.993 -42.605 1.00 1.69 S ATOM 391 CE MET A 24 59.142 37.132 -40.831 1.00 2.37 C ATOM 0 H MET A 24 58.283 41.599 -40.547 1.00 0.47 H new ATOM 0 HA MET A 24 59.348 41.297 -43.341 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.459 39.683 -41.162 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.805 39.302 -41.595 1.00 0.63 H new ATOM 0 HG2 MET A 24 58.832 38.939 -44.034 1.00 0.99 H new ATOM 0 HG3 MET A 24 60.343 38.762 -43.164 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.199 36.136 -40.392 1.00 2.37 H new ATOM 0 HE2 MET A 24 60.091 37.648 -40.684 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.344 37.696 -40.348 1.00 2.37 H new ATOM 401 N PHE A 25 57.251 41.470 -44.583 1.00 0.53 N ATOM 402 CA PHE A 25 55.956 41.533 -45.315 1.00 0.58 C ATOM 403 C PHE A 25 56.100 41.209 -46.802 1.00 0.50 C ATOM 404 O PHE A 25 57.089 40.661 -47.247 1.00 0.49 O ATOM 405 CB PHE A 25 55.447 42.945 -45.108 1.00 0.70 C ATOM 406 CG PHE A 25 56.533 43.960 -45.377 1.00 0.61 C ATOM 407 CD1 PHE A 25 56.772 44.418 -46.681 1.00 0.84 C ATOM 408 CD2 PHE A 25 57.279 44.468 -44.311 1.00 0.78 C ATOM 409 CE1 PHE A 25 57.757 45.386 -46.907 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.266 45.432 -44.538 1.00 0.83 C ATOM 411 CZ PHE A 25 58.503 45.893 -45.836 1.00 0.70 C ATOM 0 H PHE A 25 58.080 41.701 -45.131 1.00 0.53 H new ATOM 0 HA PHE A 25 55.262 40.784 -44.934 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.600 43.130 -45.769 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.084 43.058 -44.086 1.00 0.70 H new ATOM 0 HD1 PHE A 25 56.198 44.025 -47.507 1.00 0.84 H new ATOM 0 HD2 PHE A 25 57.093 44.115 -43.308 1.00 0.78 H new ATOM 0 HE1 PHE A 25 57.942 45.743 -47.909 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.844 45.820 -43.712 1.00 0.83 H new ATOM 0 HZ PHE A 25 59.262 46.641 -46.013 1.00 0.70 H new ATOM 421 N MET A 26 55.100 41.555 -47.569 1.00 0.56 N ATOM 422 CA MET A 26 55.139 41.285 -49.032 1.00 0.61 C ATOM 423 C MET A 26 55.525 42.560 -49.786 1.00 0.69 C ATOM 424 O MET A 26 55.174 43.657 -49.395 1.00 1.30 O ATOM 425 CB MET A 26 53.714 40.857 -49.385 1.00 0.72 C ATOM 426 CG MET A 26 53.217 39.837 -48.357 1.00 0.91 C ATOM 427 SD MET A 26 54.281 38.373 -48.399 1.00 1.46 S ATOM 428 CE MET A 26 53.085 37.199 -47.717 1.00 1.96 C ATOM 0 H MET A 26 54.252 42.017 -47.240 1.00 0.56 H new ATOM 0 HA MET A 26 55.871 40.523 -49.301 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.055 41.725 -49.399 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.691 40.423 -50.384 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.224 40.277 -47.360 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.186 39.557 -48.575 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.541 36.211 -47.654 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.783 37.524 -46.721 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.209 37.154 -48.365 1.00 1.96 H new ATOM 438 N VAL A 27 56.247 42.428 -50.864 1.00 0.76 N ATOM 439 CA VAL A 27 56.660 43.636 -51.642 1.00 0.80 C ATOM 440 C VAL A 27 55.428 44.459 -52.030 1.00 0.91 C ATOM 441 O VAL A 27 55.459 45.673 -52.051 1.00 1.08 O ATOM 442 CB VAL A 27 57.353 43.104 -52.901 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.185 44.220 -53.535 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.274 41.934 -52.539 1.00 1.06 C ATOM 0 H VAL A 27 56.570 41.537 -51.242 1.00 0.76 H new ATOM 0 HA VAL A 27 57.318 44.283 -51.061 1.00 0.80 H new ATOM 0 HB VAL A 27 56.595 42.761 -53.605 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.678 43.842 -54.431 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.534 45.052 -53.803 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.937 44.562 -52.824 1.00 1.11 H new ATOM 0 HG21 VAL A 27 58.762 41.563 -53.440 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.030 42.272 -51.830 1.00 1.06 H new ATOM 0 HG23 VAL A 27 57.686 41.134 -52.089 1.00 1.06 H new ATOM 454 N ALA A 28 54.350 43.802 -52.353 1.00 0.94 N ATOM 455 CA ALA A 28 53.113 44.530 -52.760 1.00 1.10 C ATOM 456 C ALA A 28 52.743 45.616 -51.742 1.00 1.12 C ATOM 457 O ALA A 28 52.132 46.608 -52.086 1.00 1.33 O ATOM 458 CB ALA A 28 52.027 43.457 -52.807 1.00 1.15 C ATOM 0 H ALA A 28 54.271 42.785 -52.353 1.00 0.94 H new ATOM 0 HA ALA A 28 53.243 45.039 -53.715 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.080 43.910 -53.100 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.303 42.692 -53.533 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.922 43.002 -51.822 1.00 1.15 H new ATOM 464 N THR A 29 53.089 45.445 -50.496 1.00 1.00 N ATOM 465 CA THR A 29 52.730 46.484 -49.484 1.00 1.09 C ATOM 466 C THR A 29 53.983 46.992 -48.759 1.00 0.90 C ATOM 467 O THR A 29 54.336 46.490 -47.709 1.00 0.93 O ATOM 468 CB THR A 29 51.782 45.787 -48.505 1.00 1.33 C ATOM 469 OG1 THR A 29 51.726 44.397 -48.807 1.00 1.93 O ATOM 470 CG2 THR A 29 50.385 46.401 -48.630 1.00 1.85 C ATOM 0 H THR A 29 53.600 44.640 -50.135 1.00 1.00 H new ATOM 0 HA THR A 29 52.265 47.355 -49.946 1.00 1.09 H new ATOM 0 HB THR A 29 52.145 45.918 -47.486 1.00 1.33 H new ATOM 0 HG1 THR A 29 51.120 43.950 -48.179 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.707 45.907 -47.934 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.433 47.465 -48.397 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.019 46.269 -49.648 1.00 1.85 H new ATOM 478 N PRO A 30 54.619 47.981 -49.346 1.00 0.99 N ATOM 479 CA PRO A 30 55.846 48.572 -48.756 1.00 1.03 C ATOM 480 C PRO A 30 55.530 49.324 -47.456 1.00 0.85 C ATOM 481 O PRO A 30 56.412 49.871 -46.823 1.00 0.90 O ATOM 482 CB PRO A 30 56.295 49.561 -49.838 1.00 1.44 C ATOM 483 CG PRO A 30 55.291 49.508 -51.006 1.00 1.67 C ATOM 484 CD PRO A 30 54.152 48.552 -50.632 1.00 1.36 C ATOM 0 HA PRO A 30 56.596 47.825 -48.496 1.00 1.03 H new ATOM 0 HB2 PRO A 30 56.346 50.570 -49.429 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.296 49.308 -50.189 1.00 1.44 H new ATOM 0 HG2 PRO A 30 54.897 50.503 -51.211 1.00 1.67 H new ATOM 0 HG3 PRO A 30 55.787 49.168 -51.915 1.00 1.67 H new ATOM 0 HD2 PRO A 30 53.203 49.076 -50.522 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.005 47.781 -51.388 1.00 1.36 H new ATOM 492 N LYS A 31 54.285 49.377 -47.059 1.00 0.96 N ATOM 493 CA LYS A 31 53.946 50.121 -45.810 1.00 1.02 C ATOM 494 C LYS A 31 52.846 49.414 -45.016 1.00 0.94 C ATOM 495 O LYS A 31 52.236 49.993 -44.138 1.00 1.09 O ATOM 496 CB LYS A 31 53.457 51.480 -46.289 1.00 1.39 C ATOM 497 CG LYS A 31 53.962 52.554 -45.331 1.00 1.90 C ATOM 498 CD LYS A 31 54.493 53.744 -46.131 1.00 2.38 C ATOM 499 CE LYS A 31 54.308 55.023 -45.315 1.00 2.81 C ATOM 500 NZ LYS A 31 52.834 55.166 -45.172 1.00 3.08 N ATOM 0 H LYS A 31 53.497 48.943 -47.539 1.00 0.96 H new ATOM 0 HA LYS A 31 54.805 50.192 -45.142 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.818 51.676 -47.299 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.368 51.495 -46.331 1.00 1.39 H new ATOM 0 HG2 LYS A 31 53.156 52.876 -44.672 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.750 52.149 -44.696 1.00 1.90 H new ATOM 0 HD2 LYS A 31 55.547 53.598 -46.366 1.00 2.38 H new ATOM 0 HD3 LYS A 31 53.963 53.824 -47.080 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.795 54.947 -44.343 1.00 2.81 H new ATOM 0 HE3 LYS A 31 54.743 55.884 -45.823 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 52.565 56.159 -45.326 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 52.357 54.565 -45.874 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 52.548 54.874 -44.216 1.00 3.08 H new ATOM 514 N VAL A 32 52.602 48.166 -45.292 1.00 0.83 N ATOM 515 CA VAL A 32 51.558 47.424 -44.527 1.00 0.87 C ATOM 516 C VAL A 32 52.128 46.061 -44.143 1.00 0.69 C ATOM 517 O VAL A 32 51.643 45.036 -44.578 1.00 0.70 O ATOM 518 CB VAL A 32 50.366 47.279 -45.475 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.205 46.617 -44.731 1.00 1.65 C ATOM 520 CG2 VAL A 32 49.923 48.662 -45.959 1.00 1.72 C ATOM 0 H VAL A 32 53.079 47.625 -46.014 1.00 0.83 H new ATOM 0 HA VAL A 32 51.253 47.933 -43.613 1.00 0.87 H new ATOM 0 HB VAL A 32 50.657 46.668 -46.329 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.354 46.512 -45.404 1.00 1.65 H new ATOM 0 HG12 VAL A 32 49.513 45.632 -44.379 1.00 1.65 H new ATOM 0 HG13 VAL A 32 48.920 47.234 -43.879 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.074 48.556 -46.634 1.00 1.72 H new ATOM 0 HG22 VAL A 32 49.633 49.271 -45.103 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.747 49.145 -46.485 1.00 1.72 H new ATOM 530 N PRO A 33 53.178 46.105 -43.365 1.00 0.67 N ATOM 531 CA PRO A 33 53.869 44.873 -42.945 1.00 0.65 C ATOM 532 C PRO A 33 52.945 43.916 -42.182 1.00 0.67 C ATOM 533 O PRO A 33 52.073 44.331 -41.445 1.00 0.79 O ATOM 534 CB PRO A 33 54.995 45.404 -42.059 1.00 0.82 C ATOM 535 CG PRO A 33 54.908 46.939 -42.003 1.00 0.91 C ATOM 536 CD PRO A 33 53.731 47.390 -42.866 1.00 0.84 C ATOM 0 HA PRO A 33 54.224 44.279 -43.787 1.00 0.65 H new ATOM 0 HB2 PRO A 33 54.914 44.986 -41.056 1.00 0.82 H new ATOM 0 HB3 PRO A 33 55.963 45.096 -42.455 1.00 0.82 H new ATOM 0 HG2 PRO A 33 54.773 47.273 -40.974 1.00 0.91 H new ATOM 0 HG3 PRO A 33 55.835 47.384 -42.364 1.00 0.91 H new ATOM 0 HD2 PRO A 33 52.996 47.949 -42.287 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.052 48.036 -43.683 1.00 0.84 H new ATOM 544 N VAL A 34 53.135 42.629 -42.356 1.00 0.64 N ATOM 545 CA VAL A 34 52.275 41.646 -41.646 1.00 0.72 C ATOM 546 C VAL A 34 52.933 41.199 -40.334 1.00 0.63 C ATOM 547 O VAL A 34 52.257 40.871 -39.379 1.00 0.79 O ATOM 548 CB VAL A 34 52.115 40.461 -42.604 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.275 40.879 -43.813 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.486 40.006 -43.080 1.00 1.19 C ATOM 0 H VAL A 34 53.850 42.223 -42.960 1.00 0.64 H new ATOM 0 HA VAL A 34 51.310 42.077 -41.381 1.00 0.72 H new ATOM 0 HB VAL A 34 51.616 39.645 -42.082 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.165 40.032 -44.490 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.291 41.205 -43.477 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.770 41.698 -44.334 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.373 39.163 -43.762 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.982 40.827 -43.597 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.086 39.702 -42.223 1.00 1.19 H new ATOM 560 N LYS A 35 54.239 41.189 -40.264 1.00 0.46 N ATOM 561 CA LYS A 35 54.904 40.767 -38.996 1.00 0.45 C ATOM 562 C LYS A 35 55.803 41.886 -38.462 1.00 0.39 C ATOM 563 O LYS A 35 56.590 42.468 -39.185 1.00 0.51 O ATOM 564 CB LYS A 35 55.751 39.549 -39.354 1.00 0.59 C ATOM 565 CG LYS A 35 54.881 38.288 -39.355 1.00 0.90 C ATOM 566 CD LYS A 35 55.081 37.519 -38.046 1.00 1.38 C ATOM 567 CE LYS A 35 53.714 37.187 -37.441 1.00 1.90 C ATOM 568 NZ LYS A 35 53.751 37.747 -36.061 1.00 2.50 N ATOM 0 H LYS A 35 54.868 41.452 -41.022 1.00 0.46 H new ATOM 0 HA LYS A 35 54.171 40.540 -38.222 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.206 39.688 -40.335 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.565 39.439 -38.638 1.00 0.59 H new ATOM 0 HG2 LYS A 35 53.832 38.559 -39.472 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.143 37.655 -40.203 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.642 36.603 -38.231 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.666 38.115 -37.346 1.00 1.38 H new ATOM 0 HE2 LYS A 35 52.907 37.630 -38.024 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.541 36.111 -37.425 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 52.846 37.557 -35.585 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.524 37.302 -35.526 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 53.909 38.774 -36.107 1.00 2.50 H new ATOM 582 N ARG A 36 55.699 42.166 -37.195 1.00 0.34 N ATOM 583 CA ARG A 36 56.548 43.228 -36.575 1.00 0.33 C ATOM 584 C ARG A 36 57.233 42.665 -35.326 1.00 0.36 C ATOM 585 O ARG A 36 56.579 42.329 -34.359 1.00 0.42 O ATOM 586 CB ARG A 36 55.583 44.357 -36.210 1.00 0.37 C ATOM 587 CG ARG A 36 55.370 45.242 -37.441 1.00 0.54 C ATOM 588 CD ARG A 36 55.337 46.714 -37.021 1.00 0.83 C ATOM 589 NE ARG A 36 55.047 47.467 -38.275 1.00 0.89 N ATOM 590 CZ ARG A 36 55.073 48.773 -38.275 1.00 1.07 C ATOM 591 NH1 ARG A 36 56.121 49.404 -37.819 1.00 1.27 N ATOM 592 NH2 ARG A 36 54.052 49.447 -38.732 1.00 1.76 N ATOM 0 H ARG A 36 55.057 41.702 -36.553 1.00 0.34 H new ATOM 0 HA ARG A 36 57.333 43.583 -37.242 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.632 43.946 -35.872 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.986 44.947 -35.387 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.171 45.078 -38.162 1.00 0.54 H new ATOM 0 HG3 ARG A 36 54.436 44.974 -37.936 1.00 0.54 H new ATOM 0 HD2 ARG A 36 54.570 46.892 -36.267 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.288 47.022 -36.587 1.00 0.83 H new ATOM 0 HE ARG A 36 54.828 46.962 -39.134 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.919 48.877 -37.463 1.00 1.27 H new ATOM 0 HH12 ARG A 36 56.142 50.424 -37.819 1.00 1.27 H new ATOM 0 HH21 ARG A 36 53.234 48.954 -39.089 1.00 1.76 H new ATOM 0 HH22 ARG A 36 54.073 50.467 -38.732 1.00 1.76 H new ATOM 606 N GLY A 37 58.538 42.533 -35.331 1.00 0.34 N ATOM 607 CA GLY A 37 59.208 41.960 -34.125 1.00 0.39 C ATOM 608 C GLY A 37 60.626 42.509 -33.941 1.00 0.38 C ATOM 609 O GLY A 37 60.939 43.628 -34.307 1.00 0.44 O ATOM 0 H GLY A 37 59.155 42.791 -36.101 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.614 42.185 -33.239 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.248 40.874 -34.214 1.00 0.39 H new ATOM 613 N CYS A 38 61.479 41.712 -33.350 1.00 0.40 N ATOM 614 CA CYS A 38 62.883 42.137 -33.092 1.00 0.41 C ATOM 615 C CYS A 38 63.872 41.185 -33.764 1.00 0.39 C ATOM 616 O CYS A 38 63.673 39.986 -33.773 1.00 0.42 O ATOM 617 CB CYS A 38 63.035 42.004 -31.582 1.00 0.52 C ATOM 618 SG CYS A 38 62.577 43.548 -30.770 1.00 1.14 S ATOM 0 H CYS A 38 61.255 40.769 -33.031 1.00 0.40 H new ATOM 0 HA CYS A 38 63.080 43.139 -33.473 1.00 0.41 H new ATOM 0 HB2 CYS A 38 62.406 41.192 -31.216 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.065 41.746 -31.334 1.00 0.52 H new ATOM 623 N ILE A 39 64.953 41.688 -34.299 1.00 0.38 N ATOM 624 CA ILE A 39 65.936 40.770 -34.921 1.00 0.39 C ATOM 625 C ILE A 39 67.342 41.110 -34.426 1.00 0.43 C ATOM 626 O ILE A 39 67.584 42.150 -33.851 1.00 0.48 O ATOM 627 CB ILE A 39 65.824 41.013 -36.441 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.777 40.064 -37.037 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.180 40.755 -37.110 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.937 39.965 -38.563 1.00 0.42 C ATOM 0 H ILE A 39 65.191 42.679 -34.330 1.00 0.38 H new ATOM 0 HA ILE A 39 65.744 39.727 -34.669 1.00 0.39 H new ATOM 0 HB ILE A 39 65.524 42.046 -36.616 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.880 39.075 -36.591 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.776 40.420 -36.794 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.095 40.928 -38.183 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.926 41.430 -36.691 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.483 39.723 -36.932 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.184 39.287 -38.965 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.810 40.952 -39.007 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.931 39.586 -38.801 1.00 0.42 H new ATOM 642 N ASP A 40 68.264 40.242 -34.690 1.00 0.48 N ATOM 643 CA ASP A 40 69.680 40.490 -34.322 1.00 0.56 C ATOM 644 C ASP A 40 70.451 40.641 -35.641 1.00 0.58 C ATOM 645 O ASP A 40 71.405 41.386 -35.752 1.00 0.67 O ATOM 646 CB ASP A 40 70.119 39.251 -33.542 1.00 0.67 C ATOM 647 CG ASP A 40 71.634 39.280 -33.350 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.079 39.896 -32.395 1.00 2.02 O ATOM 649 OD2 ASP A 40 72.326 38.680 -34.155 1.00 1.94 O ATOM 0 H ASP A 40 68.096 39.350 -35.156 1.00 0.48 H new ATOM 0 HA ASP A 40 69.847 41.381 -33.717 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.620 39.222 -32.574 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.827 38.348 -34.078 1.00 0.67 H new ATOM 654 N VAL A 41 69.975 39.955 -36.654 1.00 0.56 N ATOM 655 CA VAL A 41 70.573 40.036 -38.017 1.00 0.63 C ATOM 656 C VAL A 41 69.444 39.891 -39.039 1.00 0.58 C ATOM 657 O VAL A 41 68.595 39.028 -38.923 1.00 0.68 O ATOM 658 CB VAL A 41 71.544 38.865 -38.130 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.500 39.116 -39.296 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.341 38.739 -36.836 1.00 1.57 C ATOM 0 H VAL A 41 69.175 39.326 -36.586 1.00 0.56 H new ATOM 0 HA VAL A 41 71.090 40.979 -38.194 1.00 0.63 H new ATOM 0 HB VAL A 41 70.989 37.943 -38.303 1.00 0.76 H new ATOM 0 HG11 VAL A 41 73.197 38.282 -39.381 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.930 39.209 -40.220 1.00 1.54 H new ATOM 0 HG13 VAL A 41 73.056 40.036 -39.119 1.00 1.54 H new ATOM 0 HG21 VAL A 41 73.035 37.902 -36.916 1.00 1.57 H new ATOM 0 HG22 VAL A 41 72.900 39.659 -36.662 1.00 1.57 H new ATOM 0 HG23 VAL A 41 71.659 38.566 -36.004 1.00 1.57 H new ATOM 670 N CYS A 42 69.412 40.736 -40.022 1.00 0.72 N ATOM 671 CA CYS A 42 68.318 40.660 -41.034 1.00 0.76 C ATOM 672 C CYS A 42 68.699 39.723 -42.187 1.00 0.76 C ATOM 673 O CYS A 42 69.631 39.995 -42.917 1.00 0.90 O ATOM 674 CB CYS A 42 68.158 42.099 -41.533 1.00 1.00 C ATOM 675 SG CYS A 42 66.548 42.296 -42.345 1.00 1.13 S ATOM 0 H CYS A 42 70.094 41.479 -40.174 1.00 0.72 H new ATOM 0 HA CYS A 42 67.395 40.260 -40.614 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.241 42.794 -40.698 1.00 1.00 H new ATOM 0 HB3 CYS A 42 68.959 42.342 -42.231 1.00 1.00 H new ATOM 680 N PRO A 43 67.953 38.651 -42.331 1.00 0.70 N ATOM 681 CA PRO A 43 68.217 37.691 -43.427 1.00 0.80 C ATOM 682 C PRO A 43 68.097 38.410 -44.777 1.00 0.89 C ATOM 683 O PRO A 43 67.967 39.617 -44.830 1.00 0.97 O ATOM 684 CB PRO A 43 67.094 36.663 -43.243 1.00 0.80 C ATOM 685 CG PRO A 43 66.228 37.073 -42.040 1.00 0.72 C ATOM 686 CD PRO A 43 66.820 38.342 -41.421 1.00 0.65 C ATOM 0 HA PRO A 43 69.210 37.242 -43.407 1.00 0.80 H new ATOM 0 HB2 PRO A 43 66.483 36.608 -44.144 1.00 0.80 H new ATOM 0 HB3 PRO A 43 67.515 35.671 -43.082 1.00 0.80 H new ATOM 0 HG2 PRO A 43 65.200 37.251 -42.357 1.00 0.72 H new ATOM 0 HG3 PRO A 43 66.200 36.270 -41.303 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.093 39.154 -41.389 1.00 0.65 H new ATOM 0 HD3 PRO A 43 67.156 38.175 -40.398 1.00 0.65 H new ATOM 694 N LYS A 44 68.119 37.692 -45.870 1.00 1.04 N ATOM 695 CA LYS A 44 67.983 38.369 -47.199 1.00 1.19 C ATOM 696 C LYS A 44 66.558 38.191 -47.723 1.00 1.07 C ATOM 697 O LYS A 44 65.976 37.128 -47.620 1.00 1.52 O ATOM 698 CB LYS A 44 69.001 37.705 -48.135 1.00 1.53 C ATOM 699 CG LYS A 44 69.016 36.192 -47.919 1.00 2.08 C ATOM 700 CD LYS A 44 69.841 35.536 -49.029 1.00 2.77 C ATOM 701 CE LYS A 44 69.437 34.067 -49.180 1.00 3.61 C ATOM 702 NZ LYS A 44 68.112 34.100 -49.858 1.00 4.19 N ATOM 0 H LYS A 44 68.224 36.678 -45.903 1.00 1.04 H new ATOM 0 HA LYS A 44 68.173 39.440 -47.129 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.750 37.928 -49.172 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.994 38.115 -47.952 1.00 1.53 H new ATOM 0 HG2 LYS A 44 69.442 35.956 -46.944 1.00 2.08 H new ATOM 0 HG3 LYS A 44 67.999 35.801 -47.926 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.685 36.064 -49.970 1.00 2.77 H new ATOM 0 HD3 LYS A 44 70.903 35.608 -48.795 1.00 2.77 H new ATOM 0 HE2 LYS A 44 70.169 33.515 -49.770 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.372 33.574 -48.210 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 67.361 33.919 -49.162 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 67.966 35.035 -50.290 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 68.082 33.369 -50.597 1.00 4.19 H new ATOM 716 N SER A 45 65.984 39.229 -48.265 1.00 1.01 N ATOM 717 CA SER A 45 64.585 39.124 -48.770 1.00 0.93 C ATOM 718 C SER A 45 64.546 38.729 -50.242 1.00 0.94 C ATOM 719 O SER A 45 65.469 38.970 -50.996 1.00 1.20 O ATOM 720 CB SER A 45 63.991 40.519 -48.599 1.00 1.04 C ATOM 721 OG SER A 45 63.861 40.812 -47.216 1.00 1.64 O ATOM 0 H SER A 45 66.421 40.143 -48.380 1.00 1.01 H new ATOM 0 HA SER A 45 64.032 38.358 -48.226 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.630 41.259 -49.080 1.00 1.04 H new ATOM 0 HB3 SER A 45 63.018 40.574 -49.086 1.00 1.04 H new ATOM 0 HG SER A 45 63.969 41.776 -47.074 1.00 1.64 H new ATOM 727 N SER A 46 63.458 38.141 -50.651 1.00 0.84 N ATOM 728 CA SER A 46 63.303 37.737 -52.071 1.00 1.02 C ATOM 729 C SER A 46 62.088 38.463 -52.659 1.00 1.10 C ATOM 730 O SER A 46 61.671 39.492 -52.162 1.00 1.66 O ATOM 731 CB SER A 46 63.071 36.229 -52.028 1.00 1.08 C ATOM 732 OG SER A 46 63.562 35.644 -53.225 1.00 1.49 O ATOM 0 H SER A 46 62.661 37.921 -50.053 1.00 0.84 H new ATOM 0 HA SER A 46 64.166 37.986 -52.688 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.576 35.796 -51.164 1.00 1.08 H new ATOM 0 HB3 SER A 46 62.008 36.016 -51.915 1.00 1.08 H new ATOM 0 HG SER A 46 63.416 34.675 -53.200 1.00 1.49 H new ATOM 738 N LEU A 47 61.509 37.942 -53.705 1.00 1.13 N ATOM 739 CA LEU A 47 60.320 38.621 -54.300 1.00 1.25 C ATOM 740 C LEU A 47 59.032 38.109 -53.645 1.00 0.98 C ATOM 741 O LEU A 47 57.942 38.315 -54.142 1.00 1.23 O ATOM 742 CB LEU A 47 60.360 38.289 -55.798 1.00 1.60 C ATOM 743 CG LEU A 47 60.248 36.778 -56.021 1.00 2.09 C ATOM 744 CD1 LEU A 47 58.780 36.387 -56.193 1.00 2.75 C ATOM 745 CD2 LEU A 47 61.018 36.401 -57.289 1.00 2.50 C ATOM 0 H LEU A 47 61.803 37.084 -54.171 1.00 1.13 H new ATOM 0 HA LEU A 47 60.339 39.699 -54.139 1.00 1.25 H new ATOM 0 HB2 LEU A 47 59.544 38.799 -56.310 1.00 1.60 H new ATOM 0 HB3 LEU A 47 61.289 38.658 -56.233 1.00 1.60 H new ATOM 0 HG LEU A 47 60.663 36.254 -55.160 1.00 2.09 H new ATOM 0 HD11 LEU A 47 58.706 35.311 -56.351 1.00 2.75 H new ATOM 0 HD12 LEU A 47 58.223 36.661 -55.297 1.00 2.75 H new ATOM 0 HD13 LEU A 47 58.363 36.910 -57.054 1.00 2.75 H new ATOM 0 HD21 LEU A 47 60.943 35.326 -57.454 1.00 2.50 H new ATOM 0 HD22 LEU A 47 60.594 36.930 -58.143 1.00 2.50 H new ATOM 0 HD23 LEU A 47 62.066 36.678 -57.174 1.00 2.50 H new ATOM 757 N LEU A 48 59.154 37.459 -52.518 1.00 0.79 N ATOM 758 CA LEU A 48 57.944 36.946 -51.811 1.00 0.85 C ATOM 759 C LEU A 48 57.880 37.538 -50.396 1.00 0.71 C ATOM 760 O LEU A 48 56.909 38.160 -50.016 1.00 0.92 O ATOM 761 CB LEU A 48 58.125 35.427 -51.757 1.00 1.16 C ATOM 762 CG LEU A 48 57.709 34.810 -53.097 1.00 1.67 C ATOM 763 CD1 LEU A 48 58.789 33.836 -53.572 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.388 34.052 -52.926 1.00 2.47 C ATOM 0 H LEU A 48 60.041 37.261 -52.056 1.00 0.79 H new ATOM 0 HA LEU A 48 57.018 37.221 -52.316 1.00 0.85 H new ATOM 0 HB2 LEU A 48 59.165 35.182 -51.540 1.00 1.16 H new ATOM 0 HB3 LEU A 48 57.524 35.008 -50.950 1.00 1.16 H new ATOM 0 HG LEU A 48 57.583 35.604 -53.833 1.00 1.67 H new ATOM 0 HD11 LEU A 48 58.491 33.399 -54.525 1.00 2.36 H new ATOM 0 HD12 LEU A 48 59.731 34.370 -53.697 1.00 2.36 H new ATOM 0 HD13 LEU A 48 58.916 33.045 -52.833 1.00 2.36 H new ATOM 0 HD21 LEU A 48 56.094 33.614 -53.880 1.00 2.47 H new ATOM 0 HD22 LEU A 48 56.516 33.261 -52.187 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.614 34.741 -52.589 1.00 2.47 H new ATOM 776 N VAL A 49 58.915 37.354 -49.619 1.00 0.54 N ATOM 777 CA VAL A 49 58.923 37.913 -48.234 1.00 0.49 C ATOM 778 C VAL A 49 60.053 38.941 -48.101 1.00 0.42 C ATOM 779 O VAL A 49 61.124 38.769 -48.648 1.00 0.58 O ATOM 780 CB VAL A 49 59.177 36.712 -47.321 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.529 36.084 -47.665 1.00 0.99 C ATOM 782 CG2 VAL A 49 59.187 37.175 -45.862 1.00 1.13 C ATOM 0 H VAL A 49 59.756 36.841 -49.883 1.00 0.54 H new ATOM 0 HA VAL A 49 57.992 38.420 -47.981 1.00 0.49 H new ATOM 0 HB VAL A 49 58.388 35.974 -47.464 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.709 35.229 -47.014 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.523 35.754 -48.704 1.00 0.99 H new ATOM 0 HG13 VAL A 49 61.319 36.821 -47.522 1.00 0.99 H new ATOM 0 HG21 VAL A 49 59.368 36.320 -45.210 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.976 37.913 -45.720 1.00 1.13 H new ATOM 0 HG23 VAL A 49 58.224 37.622 -45.615 1.00 1.13 H new ATOM 792 N LYS A 50 59.824 40.016 -47.394 1.00 0.40 N ATOM 793 CA LYS A 50 60.893 41.048 -47.251 1.00 0.42 C ATOM 794 C LYS A 50 61.174 41.339 -45.775 1.00 0.44 C ATOM 795 O LYS A 50 60.321 41.808 -45.053 1.00 0.55 O ATOM 796 CB LYS A 50 60.333 42.289 -47.956 1.00 0.57 C ATOM 797 CG LYS A 50 61.396 43.391 -47.993 1.00 1.02 C ATOM 798 CD LYS A 50 61.208 44.244 -49.254 1.00 1.41 C ATOM 799 CE LYS A 50 59.947 45.103 -49.112 1.00 1.74 C ATOM 800 NZ LYS A 50 59.849 45.863 -50.392 1.00 2.40 N ATOM 0 H LYS A 50 58.949 40.224 -46.912 1.00 0.40 H new ATOM 0 HA LYS A 50 61.840 40.723 -47.682 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.025 42.034 -48.970 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.445 42.645 -47.434 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.317 44.016 -47.104 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.393 42.950 -47.985 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.079 44.881 -49.407 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.125 43.601 -50.131 1.00 1.41 H new ATOM 0 HE2 LYS A 50 59.064 44.484 -48.952 1.00 1.74 H new ATOM 0 HE3 LYS A 50 60.023 45.776 -48.258 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 58.861 46.143 -50.555 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 60.445 46.713 -50.337 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 60.173 45.263 -51.178 1.00 2.40 H new ATOM 814 N TYR A 51 62.378 41.076 -45.328 1.00 0.44 N ATOM 815 CA TYR A 51 62.710 41.347 -43.900 1.00 0.52 C ATOM 816 C TYR A 51 63.256 42.768 -43.756 1.00 0.45 C ATOM 817 O TYR A 51 64.401 43.034 -44.061 1.00 0.59 O ATOM 818 CB TYR A 51 63.826 40.363 -43.512 1.00 0.73 C ATOM 819 CG TYR A 51 63.327 38.938 -43.486 1.00 0.50 C ATOM 820 CD1 TYR A 51 63.177 38.225 -44.680 1.00 0.69 C ATOM 821 CD2 TYR A 51 63.047 38.321 -42.260 1.00 0.82 C ATOM 822 CE1 TYR A 51 62.741 36.896 -44.650 1.00 0.76 C ATOM 823 CE2 TYR A 51 62.613 36.992 -42.230 1.00 1.19 C ATOM 824 CZ TYR A 51 62.460 36.280 -43.425 1.00 1.05 C ATOM 825 OH TYR A 51 62.030 34.970 -43.394 1.00 1.47 O ATOM 0 H TYR A 51 63.138 40.688 -45.887 1.00 0.44 H new ATOM 0 HA TYR A 51 61.826 41.236 -43.272 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.649 40.448 -44.221 1.00 0.73 H new ATOM 0 HB3 TYR A 51 64.221 40.629 -42.532 1.00 0.73 H new ATOM 0 HD1 TYR A 51 63.398 38.700 -45.624 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.166 38.871 -41.338 1.00 0.82 H new ATOM 0 HE1 TYR A 51 62.621 36.346 -45.572 1.00 0.76 H new ATOM 0 HE2 TYR A 51 62.396 36.515 -41.285 1.00 1.19 H new ATOM 0 HH TYR A 51 61.881 34.696 -42.465 1.00 1.47 H new ATOM 835 N VAL A 52 62.469 43.671 -43.255 1.00 0.44 N ATOM 836 CA VAL A 52 62.986 45.048 -43.050 1.00 0.49 C ATOM 837 C VAL A 52 63.578 45.076 -41.649 1.00 0.43 C ATOM 838 O VAL A 52 62.926 44.697 -40.706 1.00 0.56 O ATOM 839 CB VAL A 52 61.766 45.976 -43.148 1.00 0.69 C ATOM 840 CG1 VAL A 52 61.904 47.126 -42.144 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.669 46.559 -44.557 1.00 0.82 C ATOM 0 H VAL A 52 61.499 43.519 -42.980 1.00 0.44 H new ATOM 0 HA VAL A 52 63.743 45.354 -43.772 1.00 0.49 H new ATOM 0 HB VAL A 52 60.868 45.399 -42.926 1.00 0.69 H new ATOM 0 HG11 VAL A 52 61.036 47.780 -42.219 1.00 1.02 H new ATOM 0 HG12 VAL A 52 61.968 46.721 -41.134 1.00 1.02 H new ATOM 0 HG13 VAL A 52 62.807 47.695 -42.364 1.00 1.02 H new ATOM 0 HG21 VAL A 52 60.802 47.216 -44.620 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.572 47.128 -44.778 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.564 45.749 -45.279 1.00 0.82 H new ATOM 851 N CYS A 53 64.797 45.490 -41.495 1.00 0.44 N ATOM 852 CA CYS A 53 65.386 45.489 -40.126 1.00 0.47 C ATOM 853 C CYS A 53 66.391 46.629 -39.952 1.00 0.46 C ATOM 854 O CYS A 53 67.160 46.943 -40.839 1.00 0.68 O ATOM 855 CB CYS A 53 66.109 44.136 -39.962 1.00 0.73 C ATOM 856 SG CYS A 53 65.267 42.805 -40.865 1.00 1.39 S ATOM 0 H CYS A 53 65.407 45.825 -42.241 1.00 0.44 H new ATOM 0 HA CYS A 53 64.605 45.629 -39.379 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.134 44.226 -40.321 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.163 43.879 -38.904 1.00 0.73 H new ATOM 861 N CYS A 54 66.406 47.225 -38.794 1.00 0.39 N ATOM 862 CA CYS A 54 67.374 48.328 -38.520 1.00 0.51 C ATOM 863 C CYS A 54 68.100 48.024 -37.211 1.00 0.48 C ATOM 864 O CYS A 54 67.509 47.523 -36.280 1.00 0.46 O ATOM 865 CB CYS A 54 66.545 49.619 -38.403 1.00 0.68 C ATOM 866 SG CYS A 54 64.911 49.273 -37.693 1.00 1.08 S ATOM 0 H CYS A 54 65.785 46.995 -38.018 1.00 0.39 H new ATOM 0 HA CYS A 54 68.121 48.432 -39.307 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.073 50.340 -37.779 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.430 50.073 -39.387 1.00 0.68 H new ATOM 871 N ASN A 55 69.367 48.322 -37.124 1.00 0.52 N ATOM 872 CA ASN A 55 70.122 48.026 -35.869 1.00 0.55 C ATOM 873 C ASN A 55 70.024 49.229 -34.941 1.00 0.54 C ATOM 874 O ASN A 55 70.969 49.966 -34.743 1.00 0.61 O ATOM 875 CB ASN A 55 71.569 47.801 -36.320 1.00 0.67 C ATOM 876 CG ASN A 55 72.509 47.929 -35.118 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.122 47.658 -33.998 1.00 2.23 O ATOM 878 ND2 ASN A 55 73.738 48.329 -35.306 1.00 2.32 N ATOM 0 H ASN A 55 69.914 48.758 -37.866 1.00 0.52 H new ATOM 0 HA ASN A 55 69.737 47.161 -35.329 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.671 46.813 -36.770 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.839 48.529 -37.085 1.00 0.67 H new ATOM 0 HD21 ASN A 55 74.374 48.414 -34.513 1.00 2.32 H new ATOM 0 HD22 ASN A 55 74.062 48.556 -36.246 1.00 2.32 H new ATOM 885 N THR A 56 68.862 49.427 -34.389 1.00 0.49 N ATOM 886 CA THR A 56 68.647 50.587 -33.478 1.00 0.50 C ATOM 887 C THR A 56 67.586 50.265 -32.421 1.00 0.48 C ATOM 888 O THR A 56 67.177 49.132 -32.256 1.00 0.57 O ATOM 889 CB THR A 56 68.179 51.716 -34.393 1.00 0.54 C ATOM 890 OG1 THR A 56 67.329 51.187 -35.395 1.00 1.15 O ATOM 891 CG2 THR A 56 69.388 52.370 -35.057 1.00 1.16 C ATOM 0 H THR A 56 68.045 48.832 -34.530 1.00 0.49 H new ATOM 0 HA THR A 56 69.550 50.850 -32.928 1.00 0.50 H new ATOM 0 HB THR A 56 67.639 52.458 -33.805 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.793 50.458 -35.018 1.00 1.15 H new ATOM 0 HG21 THR A 56 69.053 53.176 -35.710 1.00 1.16 H new ATOM 0 HG22 THR A 56 70.049 52.775 -34.291 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.927 51.627 -35.645 1.00 1.16 H new ATOM 899 N ASP A 57 67.127 51.263 -31.714 1.00 0.58 N ATOM 900 CA ASP A 57 66.080 51.033 -30.678 1.00 0.60 C ATOM 901 C ASP A 57 64.736 51.552 -31.190 1.00 0.59 C ATOM 902 O ASP A 57 64.624 52.680 -31.629 1.00 0.72 O ATOM 903 CB ASP A 57 66.527 51.836 -29.458 1.00 0.71 C ATOM 904 CG ASP A 57 65.593 51.539 -28.283 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.789 50.631 -28.408 1.00 1.70 O ATOM 906 OD2 ASP A 57 65.698 52.225 -27.279 1.00 1.47 O ATOM 0 H ASP A 57 67.434 52.231 -31.810 1.00 0.58 H new ATOM 0 HA ASP A 57 65.960 49.976 -30.439 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.553 51.578 -29.195 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.515 52.902 -29.686 1.00 0.71 H new ATOM 911 N ARG A 58 63.717 50.741 -31.149 1.00 0.56 N ATOM 912 CA ARG A 58 62.397 51.203 -31.649 1.00 0.61 C ATOM 913 C ARG A 58 62.590 51.855 -33.018 1.00 0.60 C ATOM 914 O ARG A 58 62.321 53.026 -33.206 1.00 0.87 O ATOM 915 CB ARG A 58 61.923 52.231 -30.619 1.00 0.73 C ATOM 916 CG ARG A 58 60.598 51.774 -30.002 1.00 0.93 C ATOM 917 CD ARG A 58 59.464 52.099 -30.970 1.00 1.16 C ATOM 918 NE ARG A 58 58.400 52.762 -30.161 1.00 1.10 N ATOM 919 CZ ARG A 58 58.553 53.981 -29.700 1.00 1.34 C ATOM 920 NH1 ARG A 58 59.741 54.521 -29.591 1.00 1.52 N ATOM 921 NH2 ARG A 58 57.500 54.669 -29.350 1.00 1.91 N ATOM 0 H ARG A 58 63.742 49.785 -30.793 1.00 0.56 H new ATOM 0 HA ARG A 58 61.674 50.396 -31.766 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.675 52.352 -29.839 1.00 0.73 H new ATOM 0 HB3 ARG A 58 61.797 53.204 -31.094 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.626 50.703 -29.800 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.434 52.274 -29.048 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.811 52.755 -31.769 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.085 51.193 -31.443 1.00 1.16 H new ATOM 0 HE ARG A 58 57.536 52.257 -29.962 1.00 1.10 H new ATOM 0 HH11 ARG A 58 60.569 53.993 -29.867 1.00 1.52 H new ATOM 0 HH12 ARG A 58 59.839 55.470 -29.230 1.00 1.52 H new ATOM 0 HH21 ARG A 58 56.570 54.258 -29.436 1.00 1.91 H new ATOM 0 HH22 ARG A 58 57.607 55.617 -28.990 1.00 1.91 H new ATOM 935 N CYS A 59 63.077 51.105 -33.971 1.00 0.44 N ATOM 936 CA CYS A 59 63.312 51.684 -35.323 1.00 0.47 C ATOM 937 C CYS A 59 62.428 50.996 -36.380 1.00 0.60 C ATOM 938 O CYS A 59 62.179 51.550 -37.432 1.00 1.14 O ATOM 939 CB CYS A 59 64.803 51.444 -35.594 1.00 0.42 C ATOM 940 SG CYS A 59 65.118 49.668 -35.725 1.00 0.84 S ATOM 0 H CYS A 59 63.321 50.120 -33.871 1.00 0.44 H new ATOM 0 HA CYS A 59 63.056 52.742 -35.371 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.101 51.945 -36.515 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.402 51.872 -34.790 1.00 0.42 H new ATOM 945 N ASN A 60 61.934 49.807 -36.119 1.00 0.52 N ATOM 946 CA ASN A 60 61.055 49.138 -37.134 1.00 0.55 C ATOM 947 C ASN A 60 59.611 49.621 -36.978 1.00 0.71 C ATOM 948 O ASN A 60 58.714 48.829 -37.216 1.00 1.39 O ATOM 949 CB ASN A 60 61.139 47.632 -36.862 1.00 0.41 C ATOM 950 CG ASN A 60 60.266 47.260 -35.656 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.076 48.057 -34.756 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.724 46.069 -35.605 1.00 0.40 N ATOM 953 OXT ASN A 60 59.426 50.771 -36.615 1.00 1.25 O ATOM 0 H ASN A 60 62.097 49.278 -35.262 1.00 0.52 H new ATOM 0 HA ASN A 60 61.376 49.373 -38.149 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.812 47.078 -37.742 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.174 47.347 -36.672 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.141 45.808 -34.810 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.885 45.403 -36.360 1.00 0.40 H new TER 960 ASN A 60