USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 651 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 62 ASN : amide:sc= 0 K(o=-2.4,f=-3.2) USER MOD Set 1.2: A 64 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.7!) USER MOD Set 2.1: A 1 MET N :NH3+ -177:sc= 1.25 (180deg=1.25) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.242 K(o=1.5,f=0.37) USER MOD Single : A 1 MET CE :methyl -128:sc= -4.05! (180deg=-4.94) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 9 ASN : amide:sc= -6.24! C(o=-6.2!,f=-9.2!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0541 F(o=-1.4!,f=-0.054) USER MOD Single : A 18 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.58) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0315 (180deg=-0.235) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 83:sc= 0.75 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -86:sc= 0.625 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 79:sc= 0.148 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.83) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= -0.0296 (180deg=-0.161) USER MOD Single : A 76 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.6) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 0.778 (180deg=-0.242!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -45:sc= 0.34 USER MOD Single : A 85 THR OG1 : rot -162:sc= 1.26 USER MOD Single : A 86 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.8) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 89 SER OG : rot -46:sc= 0.306 USER MOD Single : A 91 ASN : amide:sc= -3.33! C(o=-3.3!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.637 0.217 4.218 1.00 1.70 N ATOM 2 CA MET A 1 12.381 -0.459 4.605 1.00 1.61 C ATOM 3 C MET A 1 12.193 -0.505 6.104 1.00 0.88 C ATOM 4 O MET A 1 13.117 -0.748 6.879 1.00 1.16 O ATOM 5 CB MET A 1 12.331 -1.884 4.051 1.00 2.50 C ATOM 6 CG MET A 1 11.267 -2.745 4.715 1.00 2.77 C ATOM 7 SD MET A 1 9.588 -2.192 4.369 1.00 2.91 S ATOM 8 CE MET A 1 8.682 -3.206 5.535 1.00 2.61 C ATOM 0 H1 MET A 1 13.698 0.269 3.181 1.00 1.70 H new ATOM 0 H2 MET A 1 13.650 1.178 4.615 1.00 1.70 H new ATOM 0 H3 MET A 1 14.448 -0.320 4.586 1.00 1.70 H new ATOM 0 HA MET A 1 11.571 0.131 4.175 1.00 1.61 H new ATOM 0 HB2 MET A 1 12.140 -1.844 2.979 1.00 2.50 H new ATOM 0 HB3 MET A 1 13.305 -2.354 4.184 1.00 2.50 H new ATOM 0 HG2 MET A 1 11.380 -3.775 4.377 1.00 2.77 H new ATOM 0 HG3 MET A 1 11.428 -2.743 5.793 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.881 -3.731 5.015 1.00 2.61 H new ATOM 0 HE2 MET A 1 9.357 -3.932 5.987 1.00 2.61 H new ATOM 0 HE3 MET A 1 8.256 -2.573 6.313 1.00 2.61 H new ATOM 20 N THR A 2 10.966 -0.236 6.476 1.00 0.65 N ATOM 21 CA THR A 2 10.458 -0.476 7.797 1.00 1.13 C ATOM 22 C THR A 2 8.949 -0.561 7.661 1.00 1.10 C ATOM 23 O THR A 2 8.395 -0.042 6.691 1.00 1.86 O ATOM 24 CB THR A 2 10.879 0.640 8.791 1.00 1.75 C ATOM 25 OG1 THR A 2 10.071 0.592 9.974 1.00 2.36 O ATOM 26 CG2 THR A 2 10.780 2.022 8.162 1.00 2.63 C ATOM 0 H THR A 2 10.274 0.169 5.845 1.00 0.65 H new ATOM 0 HA THR A 2 10.869 -1.398 8.208 1.00 1.13 H new ATOM 0 HB THR A 2 11.921 0.459 9.055 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.351 1.301 10.590 1.00 2.36 H new ATOM 0 HG21 THR A 2 11.083 2.775 8.889 1.00 2.63 H new ATOM 0 HG22 THR A 2 11.435 2.074 7.292 1.00 2.63 H new ATOM 0 HG23 THR A 2 9.751 2.209 7.854 1.00 2.63 H new ATOM 34 N CYS A 3 8.279 -1.227 8.586 1.00 0.81 N ATOM 35 CA CYS A 3 6.822 -1.268 8.592 1.00 0.69 C ATOM 36 C CYS A 3 6.269 0.138 8.872 1.00 0.65 C ATOM 37 O CYS A 3 5.064 0.343 9.011 1.00 0.79 O ATOM 38 CB CYS A 3 6.336 -2.280 9.637 1.00 0.76 C ATOM 39 SG CYS A 3 4.676 -2.971 9.317 1.00 0.70 S ATOM 0 H CYS A 3 8.719 -1.748 9.344 1.00 0.81 H new ATOM 0 HA CYS A 3 6.456 -1.589 7.617 1.00 0.69 H new ATOM 0 HB2 CYS A 3 7.052 -3.100 9.689 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.332 -1.798 10.615 1.00 0.76 H new ATOM 44 N GLY A 4 7.181 1.109 8.926 1.00 0.57 N ATOM 45 CA GLY A 4 6.809 2.502 9.044 1.00 0.56 C ATOM 46 C GLY A 4 6.953 3.192 7.707 1.00 0.51 C ATOM 47 O GLY A 4 6.354 4.237 7.458 1.00 0.53 O ATOM 0 H GLY A 4 8.187 0.945 8.889 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.780 2.583 9.395 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.439 2.993 9.786 1.00 0.56 H new ATOM 51 N GLN A 5 7.748 2.580 6.832 1.00 0.52 N ATOM 52 CA GLN A 5 7.879 3.034 5.463 1.00 0.51 C ATOM 53 C GLN A 5 6.591 2.694 4.741 1.00 0.46 C ATOM 54 O GLN A 5 6.009 3.510 4.031 1.00 0.52 O ATOM 55 CB GLN A 5 9.069 2.332 4.796 1.00 0.60 C ATOM 56 CG GLN A 5 9.342 2.768 3.364 1.00 0.62 C ATOM 57 CD GLN A 5 10.452 1.961 2.717 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.628 2.299 2.831 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.089 0.882 2.038 1.00 0.96 N ATOM 0 H GLN A 5 8.313 1.761 7.057 1.00 0.52 H new ATOM 0 HA GLN A 5 8.057 4.109 5.426 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.962 2.514 5.394 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.892 1.257 4.807 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.430 2.665 2.775 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.610 3.824 3.353 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.103 0.633 1.965 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.796 0.301 1.588 1.00 0.96 H new ATOM 68 N VAL A 6 6.145 1.474 4.995 1.00 0.43 N ATOM 69 CA VAL A 6 4.909 0.944 4.447 1.00 0.44 C ATOM 70 C VAL A 6 3.712 1.704 5.000 1.00 0.44 C ATOM 71 O VAL A 6 2.759 2.000 4.282 1.00 0.49 O ATOM 72 CB VAL A 6 4.772 -0.541 4.825 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.612 -1.203 4.123 1.00 1.02 C ATOM 74 CG2 VAL A 6 6.052 -1.284 4.532 1.00 1.12 C ATOM 0 H VAL A 6 6.640 0.815 5.597 1.00 0.43 H new ATOM 0 HA VAL A 6 4.936 1.055 3.363 1.00 0.44 H new ATOM 0 HB VAL A 6 4.572 -0.581 5.896 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.556 -2.250 4.421 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.685 -0.698 4.395 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.756 -1.140 3.044 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.935 -2.332 4.806 1.00 1.12 H new ATOM 0 HG22 VAL A 6 6.280 -1.210 3.469 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.867 -0.847 5.109 1.00 1.12 H new ATOM 84 N GLN A 7 3.779 2.022 6.287 1.00 0.47 N ATOM 85 CA GLN A 7 2.713 2.751 6.954 1.00 0.54 C ATOM 86 C GLN A 7 2.538 4.130 6.327 1.00 0.58 C ATOM 87 O GLN A 7 1.437 4.673 6.311 1.00 0.70 O ATOM 88 CB GLN A 7 3.015 2.879 8.447 1.00 0.66 C ATOM 89 CG GLN A 7 1.872 3.463 9.258 1.00 0.98 C ATOM 90 CD GLN A 7 2.225 3.618 10.723 1.00 1.27 C ATOM 91 OE1 GLN A 7 3.384 3.840 11.075 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.231 3.497 11.585 1.00 1.69 N ATOM 0 H GLN A 7 4.566 1.784 6.891 1.00 0.47 H new ATOM 0 HA GLN A 7 1.783 2.196 6.832 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.263 1.894 8.843 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.897 3.506 8.577 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.598 4.435 8.848 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.997 2.820 9.164 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.285 3.313 11.250 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.409 3.588 12.585 1.00 1.69 H new ATOM 101 N GLY A 8 3.628 4.673 5.787 1.00 0.60 N ATOM 102 CA GLY A 8 3.577 5.968 5.124 1.00 0.70 C ATOM 103 C GLY A 8 2.628 5.972 3.939 1.00 0.66 C ATOM 104 O GLY A 8 2.152 7.025 3.520 1.00 0.82 O ATOM 0 H GLY A 8 4.550 4.237 5.797 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.264 6.728 5.840 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.577 6.241 4.787 1.00 0.70 H new ATOM 108 N ASN A 9 2.368 4.784 3.402 1.00 0.58 N ATOM 109 CA ASN A 9 1.398 4.613 2.328 1.00 0.63 C ATOM 110 C ASN A 9 -0.011 4.852 2.872 1.00 0.62 C ATOM 111 O ASN A 9 -0.669 5.832 2.523 1.00 0.78 O ATOM 112 CB ASN A 9 1.535 3.194 1.739 1.00 0.75 C ATOM 113 CG ASN A 9 0.522 2.848 0.656 1.00 1.30 C ATOM 114 OD1 ASN A 9 -0.620 3.297 0.665 1.00 1.86 O ATOM 115 ND2 ASN A 9 0.940 2.014 -0.284 1.00 1.86 N ATOM 0 H ASN A 9 2.821 3.919 3.697 1.00 0.58 H new ATOM 0 HA ASN A 9 1.585 5.335 1.533 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.538 3.083 1.327 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.441 2.470 2.548 1.00 0.75 H new ATOM 0 HD21 ASN A 9 0.306 1.727 -1.030 1.00 1.86 H new ATOM 0 HD22 ASN A 9 1.896 1.659 -0.262 1.00 1.86 H new ATOM 122 N LEU A 10 -0.435 3.977 3.773 1.00 0.56 N ATOM 123 CA LEU A 10 -1.800 4.002 4.286 1.00 0.66 C ATOM 124 C LEU A 10 -2.076 5.251 5.112 1.00 0.65 C ATOM 125 O LEU A 10 -3.171 5.794 5.054 1.00 0.72 O ATOM 126 CB LEU A 10 -2.095 2.748 5.122 1.00 0.89 C ATOM 127 CG LEU A 10 -2.397 1.467 4.330 1.00 1.00 C ATOM 128 CD1 LEU A 10 -3.574 1.684 3.386 1.00 1.45 C ATOM 129 CD2 LEU A 10 -1.173 0.995 3.557 1.00 1.73 C ATOM 0 H LEU A 10 0.148 3.238 4.166 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.462 4.018 3.420 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.239 2.558 5.770 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.945 2.960 5.771 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.664 0.688 5.044 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.772 0.765 2.834 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -4.457 1.958 3.963 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -3.336 2.484 2.685 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -1.418 0.087 3.007 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -0.863 1.771 2.857 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -0.360 0.789 4.253 1.00 1.73 H new ATOM 141 N ALA A 11 -1.076 5.716 5.856 1.00 0.62 N ATOM 142 CA ALA A 11 -1.245 6.861 6.756 1.00 0.69 C ATOM 143 C ALA A 11 -1.790 8.087 6.028 1.00 0.63 C ATOM 144 O ALA A 11 -2.589 8.843 6.579 1.00 0.72 O ATOM 145 CB ALA A 11 0.072 7.207 7.434 1.00 0.77 C ATOM 0 H ALA A 11 -0.137 5.319 5.856 1.00 0.62 H new ATOM 0 HA ALA A 11 -1.975 6.569 7.511 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.073 8.059 8.098 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.419 6.351 8.013 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.815 7.459 6.678 1.00 0.77 H new ATOM 151 N GLN A 12 -1.361 8.273 4.791 1.00 0.56 N ATOM 152 CA GLN A 12 -1.794 9.416 3.996 1.00 0.53 C ATOM 153 C GLN A 12 -3.138 9.137 3.353 1.00 0.52 C ATOM 154 O GLN A 12 -3.964 10.031 3.175 1.00 0.60 O ATOM 155 CB GLN A 12 -0.777 9.695 2.896 1.00 0.56 C ATOM 156 CG GLN A 12 0.647 9.827 3.397 1.00 0.52 C ATOM 157 CD GLN A 12 0.890 11.107 4.172 1.00 1.30 C ATOM 158 OE1 GLN A 12 0.174 12.165 3.827 1.00 2.18 O flip ATOM 159 NE2 GLN A 12 1.719 11.141 5.080 1.00 1.88 N flip ATOM 0 H GLN A 12 -0.712 7.648 4.313 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.879 10.279 4.657 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.821 8.891 2.162 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.057 10.613 2.380 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.882 8.974 4.034 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.329 9.789 2.548 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.251 10.304 5.316 1.00 1.88 H new ATOM 0 HE22 GLN A 12 1.874 12.007 5.597 1.00 1.88 H new ATOM 168 N CYS A 13 -3.342 7.884 3.004 1.00 0.52 N ATOM 169 CA CYS A 13 -4.500 7.480 2.239 1.00 0.56 C ATOM 170 C CYS A 13 -5.718 7.262 3.117 1.00 0.53 C ATOM 171 O CYS A 13 -6.841 7.327 2.632 1.00 0.56 O ATOM 172 CB CYS A 13 -4.160 6.226 1.449 1.00 0.69 C ATOM 173 SG CYS A 13 -2.789 6.477 0.285 1.00 1.23 S ATOM 0 H CYS A 13 -2.711 7.119 3.243 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.759 8.285 1.551 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.901 5.425 2.141 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.042 5.898 0.899 1.00 0.69 H new ATOM 178 N ILE A 14 -5.490 7.045 4.409 1.00 0.58 N ATOM 179 CA ILE A 14 -6.571 6.795 5.366 1.00 0.67 C ATOM 180 C ILE A 14 -7.686 7.848 5.264 1.00 0.67 C ATOM 181 O ILE A 14 -8.848 7.538 5.503 1.00 0.77 O ATOM 182 CB ILE A 14 -6.032 6.710 6.820 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.339 5.358 7.045 1.00 0.98 C ATOM 184 CG2 ILE A 14 -7.141 6.917 7.846 1.00 1.04 C ATOM 185 CD1 ILE A 14 -4.758 5.192 8.434 1.00 1.11 C ATOM 0 H ILE A 14 -4.558 7.037 4.823 1.00 0.58 H new ATOM 0 HA ILE A 14 -7.004 5.830 5.105 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.307 7.513 6.956 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.057 4.558 6.864 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.541 5.243 6.311 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.724 6.850 8.851 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.589 7.900 7.704 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.903 6.149 7.718 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -4.286 4.213 8.516 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.015 5.969 8.613 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.554 5.274 9.174 1.00 1.11 H new ATOM 197 N GLY A 15 -7.335 9.074 4.881 1.00 0.66 N ATOM 198 CA GLY A 15 -8.352 10.094 4.660 1.00 0.76 C ATOM 199 C GLY A 15 -9.385 9.659 3.645 1.00 0.86 C ATOM 200 O GLY A 15 -10.549 9.459 3.979 1.00 1.45 O ATOM 0 H GLY A 15 -6.375 9.379 4.721 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.846 10.322 5.604 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.875 11.013 4.319 1.00 0.76 H new ATOM 204 N PHE A 16 -8.948 9.508 2.405 1.00 0.61 N ATOM 205 CA PHE A 16 -9.809 9.039 1.328 1.00 0.60 C ATOM 206 C PHE A 16 -10.306 7.628 1.619 1.00 0.60 C ATOM 207 O PHE A 16 -11.451 7.286 1.338 1.00 0.69 O ATOM 208 CB PHE A 16 -9.033 9.075 0.011 1.00 0.59 C ATOM 209 CG PHE A 16 -9.607 8.191 -1.065 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.745 8.569 -1.758 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.011 6.978 -1.376 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.280 7.754 -2.736 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.541 6.158 -2.353 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.678 6.548 -3.036 1.00 0.91 C ATOM 0 H PHE A 16 -7.990 9.706 2.116 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.678 9.692 1.250 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.005 10.102 -0.354 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.002 8.776 0.201 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.220 9.512 -1.531 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.121 6.671 -0.847 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.170 8.060 -3.266 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.068 5.214 -2.583 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.094 5.911 -3.802 1.00 0.91 H new ATOM 224 N LEU A 17 -9.428 6.830 2.195 1.00 0.56 N ATOM 225 CA LEU A 17 -9.734 5.454 2.562 1.00 0.67 C ATOM 226 C LEU A 17 -10.889 5.387 3.569 1.00 0.79 C ATOM 227 O LEU A 17 -11.581 4.374 3.663 1.00 0.87 O ATOM 228 CB LEU A 17 -8.474 4.806 3.145 1.00 0.74 C ATOM 229 CG LEU A 17 -7.592 4.022 2.165 1.00 0.79 C ATOM 230 CD1 LEU A 17 -8.205 2.679 1.854 1.00 0.96 C ATOM 231 CD2 LEU A 17 -7.365 4.798 0.879 1.00 1.43 C ATOM 0 H LEU A 17 -8.476 7.116 2.424 1.00 0.56 H new ATOM 0 HA LEU A 17 -10.051 4.912 1.671 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.867 5.589 3.599 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.777 4.132 3.946 1.00 0.74 H new ATOM 0 HG LEU A 17 -6.626 3.869 2.646 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -7.564 2.139 1.157 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.307 2.104 2.774 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -9.188 2.823 1.406 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -6.736 4.213 0.207 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -8.324 4.995 0.399 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.872 5.743 1.107 1.00 1.43 H new ATOM 243 N GLN A 18 -11.089 6.461 4.323 1.00 0.87 N ATOM 244 CA GLN A 18 -12.217 6.551 5.243 1.00 1.07 C ATOM 245 C GLN A 18 -13.337 7.382 4.649 1.00 1.09 C ATOM 246 O GLN A 18 -14.430 6.879 4.381 1.00 1.20 O ATOM 247 CB GLN A 18 -11.791 7.175 6.569 1.00 1.25 C ATOM 248 CG GLN A 18 -11.037 6.221 7.458 1.00 1.08 C ATOM 249 CD GLN A 18 -10.802 6.771 8.854 1.00 1.33 C ATOM 250 OE1 GLN A 18 -10.749 6.022 9.829 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.652 8.082 8.961 1.00 2.00 N ATOM 0 H GLN A 18 -10.485 7.283 4.316 1.00 0.87 H new ATOM 0 HA GLN A 18 -12.573 5.536 5.417 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -11.167 8.046 6.369 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -12.676 7.531 7.097 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -11.591 5.285 7.531 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -10.076 5.987 6.999 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -10.702 8.671 8.130 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -10.486 8.503 9.875 1.00 2.00 H new ATOM 260 N LYS A 19 -13.040 8.655 4.444 1.00 1.06 N ATOM 261 CA LYS A 19 -14.033 9.624 3.976 1.00 1.21 C ATOM 262 C LYS A 19 -14.659 9.198 2.650 1.00 1.34 C ATOM 263 O LYS A 19 -15.870 9.319 2.463 1.00 2.08 O ATOM 264 CB LYS A 19 -13.414 11.022 3.838 1.00 1.41 C ATOM 265 CG LYS A 19 -13.290 11.785 5.153 1.00 1.98 C ATOM 266 CD LYS A 19 -12.322 11.123 6.119 1.00 2.69 C ATOM 267 CE LYS A 19 -12.196 11.911 7.414 1.00 3.29 C ATOM 268 NZ LYS A 19 -11.651 13.277 7.187 1.00 4.09 N ATOM 0 H LYS A 19 -12.112 9.050 4.594 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.822 9.659 4.727 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.424 10.926 3.392 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.019 11.608 3.147 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -12.956 12.802 4.949 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -14.272 11.859 5.621 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -12.662 10.111 6.340 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -11.342 11.034 5.650 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -13.174 11.986 7.889 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -11.547 11.372 8.104 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -11.376 13.697 8.098 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -10.819 13.220 6.566 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -12.378 13.870 6.738 1.00 4.09 H new ATOM 282 N GLY A 20 -13.840 8.682 1.745 1.00 1.18 N ATOM 283 CA GLY A 20 -14.342 8.244 0.457 1.00 1.47 C ATOM 284 C GLY A 20 -14.586 9.401 -0.490 1.00 1.29 C ATOM 285 O GLY A 20 -15.728 9.707 -0.829 1.00 1.99 O ATOM 0 H GLY A 20 -12.836 8.558 1.879 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.628 7.554 0.007 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -15.271 7.693 0.600 1.00 1.47 H new ATOM 289 N GLY A 21 -13.513 10.050 -0.913 1.00 1.10 N ATOM 290 CA GLY A 21 -13.633 11.169 -1.819 1.00 1.37 C ATOM 291 C GLY A 21 -12.297 11.820 -2.080 1.00 1.26 C ATOM 292 O GLY A 21 -11.501 11.962 -1.157 1.00 1.79 O ATOM 0 H GLY A 21 -12.557 9.819 -0.643 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.063 10.830 -2.761 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -14.321 11.904 -1.401 1.00 1.37 H new ATOM 296 N VAL A 22 -12.071 12.189 -3.345 1.00 1.14 N ATOM 297 CA VAL A 22 -10.855 12.872 -3.826 1.00 1.00 C ATOM 298 C VAL A 22 -9.551 12.317 -3.233 1.00 0.82 C ATOM 299 O VAL A 22 -9.169 12.611 -2.097 1.00 0.87 O ATOM 300 CB VAL A 22 -10.925 14.420 -3.655 1.00 1.11 C ATOM 301 CG1 VAL A 22 -11.112 14.844 -2.204 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.688 15.077 -4.252 1.00 1.28 C ATOM 0 H VAL A 22 -12.747 12.017 -4.089 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.829 12.653 -4.893 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.808 14.760 -4.197 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.154 15.932 -2.145 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -12.041 14.424 -1.819 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -10.275 14.480 -1.608 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.752 16.158 -4.124 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.798 14.704 -3.745 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.627 14.840 -5.314 1.00 1.28 H new ATOM 312 N VAL A 23 -8.859 11.513 -4.030 1.00 0.71 N ATOM 313 CA VAL A 23 -7.575 10.962 -3.624 1.00 0.58 C ATOM 314 C VAL A 23 -6.510 12.049 -3.616 1.00 0.54 C ATOM 315 O VAL A 23 -6.284 12.719 -4.622 1.00 0.58 O ATOM 316 CB VAL A 23 -7.121 9.811 -4.544 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.777 9.254 -4.088 1.00 0.51 C ATOM 318 CG2 VAL A 23 -8.168 8.717 -4.565 1.00 0.69 C ATOM 0 H VAL A 23 -9.166 11.229 -4.960 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.704 10.562 -2.618 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.002 10.202 -5.554 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.475 8.443 -4.751 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -5.027 10.044 -4.117 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.866 8.876 -3.070 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.837 7.909 -5.218 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -8.312 8.332 -3.556 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -9.109 9.121 -4.937 1.00 0.69 H new ATOM 328 N PRO A 24 -5.849 12.244 -2.472 1.00 0.54 N ATOM 329 CA PRO A 24 -4.833 13.276 -2.316 1.00 0.58 C ATOM 330 C PRO A 24 -3.517 12.896 -2.989 1.00 0.55 C ATOM 331 O PRO A 24 -3.071 11.748 -2.901 1.00 0.47 O ATOM 332 CB PRO A 24 -4.650 13.375 -0.791 1.00 0.67 C ATOM 333 CG PRO A 24 -5.715 12.506 -0.196 1.00 0.81 C ATOM 334 CD PRO A 24 -6.034 11.484 -1.236 1.00 0.59 C ATOM 0 HA PRO A 24 -5.131 14.215 -2.782 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.657 13.037 -0.493 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.751 14.406 -0.451 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -5.366 12.034 0.722 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -6.598 13.091 0.062 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.367 10.624 -1.182 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -7.051 11.105 -1.138 1.00 0.59 H new ATOM 342 N PRO A 25 -2.861 13.869 -3.648 1.00 0.65 N ATOM 343 CA PRO A 25 -1.555 13.670 -4.294 1.00 0.67 C ATOM 344 C PRO A 25 -0.439 13.471 -3.269 1.00 0.66 C ATOM 345 O PRO A 25 0.739 13.489 -3.602 1.00 0.71 O ATOM 346 CB PRO A 25 -1.332 14.967 -5.088 1.00 0.81 C ATOM 347 CG PRO A 25 -2.650 15.667 -5.090 1.00 1.03 C ATOM 348 CD PRO A 25 -3.346 15.241 -3.831 1.00 0.81 C ATOM 0 HA PRO A 25 -1.542 12.777 -4.918 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.562 15.583 -4.624 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -1.000 14.753 -6.104 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -2.517 16.749 -5.116 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -3.234 15.396 -5.970 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -3.085 15.880 -2.987 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.430 15.278 -3.935 1.00 0.81 H new ATOM 356 N SER A 26 -0.843 13.288 -2.028 1.00 0.68 N ATOM 357 CA SER A 26 0.063 13.008 -0.927 1.00 0.73 C ATOM 358 C SER A 26 0.026 11.517 -0.645 1.00 0.65 C ATOM 359 O SER A 26 1.054 10.847 -0.537 1.00 0.68 O ATOM 360 CB SER A 26 -0.403 13.773 0.306 1.00 0.83 C ATOM 361 OG SER A 26 -0.680 15.126 -0.010 1.00 0.91 O ATOM 0 H SER A 26 -1.823 13.330 -1.750 1.00 0.68 H new ATOM 0 HA SER A 26 1.078 13.314 -1.179 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.296 13.301 0.715 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.364 13.726 1.079 1.00 0.83 H new ATOM 0 HG SER A 26 -0.979 15.596 0.797 1.00 0.91 H new ATOM 367 N CYS A 27 -1.197 11.024 -0.531 1.00 0.58 N ATOM 368 CA CYS A 27 -1.476 9.607 -0.419 1.00 0.55 C ATOM 369 C CYS A 27 -0.823 8.843 -1.567 1.00 0.47 C ATOM 370 O CYS A 27 -0.080 7.886 -1.344 1.00 0.48 O ATOM 371 CB CYS A 27 -2.990 9.419 -0.430 1.00 0.57 C ATOM 372 SG CYS A 27 -3.547 7.806 -1.044 1.00 0.74 S ATOM 0 H CYS A 27 -2.033 11.608 -0.514 1.00 0.58 H new ATOM 0 HA CYS A 27 -1.063 9.214 0.510 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -3.367 9.557 0.583 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.435 10.201 -1.045 1.00 0.57 H new ATOM 377 N CYS A 28 -1.064 9.308 -2.792 1.00 0.42 N ATOM 378 CA CYS A 28 -0.506 8.672 -3.981 1.00 0.40 C ATOM 379 C CYS A 28 1.014 8.594 -3.926 1.00 0.45 C ATOM 380 O CYS A 28 1.617 7.651 -4.441 1.00 0.50 O ATOM 381 CB CYS A 28 -0.948 9.411 -5.244 1.00 0.45 C ATOM 382 SG CYS A 28 -2.629 8.977 -5.784 1.00 1.40 S ATOM 0 H CYS A 28 -1.643 10.125 -2.986 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.890 7.652 -4.010 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.898 10.485 -5.064 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.247 9.190 -6.049 1.00 0.45 H new ATOM 387 N THR A 29 1.629 9.578 -3.289 1.00 0.51 N ATOM 388 CA THR A 29 3.074 9.629 -3.170 1.00 0.58 C ATOM 389 C THR A 29 3.605 8.452 -2.346 1.00 0.54 C ATOM 390 O THR A 29 4.596 7.819 -2.721 1.00 0.56 O ATOM 391 CB THR A 29 3.519 10.955 -2.524 1.00 0.72 C ATOM 392 OG1 THR A 29 3.053 12.060 -3.309 1.00 0.79 O ATOM 393 CG2 THR A 29 5.033 11.021 -2.383 1.00 0.77 C ATOM 0 H THR A 29 1.144 10.357 -2.844 1.00 0.51 H new ATOM 0 HA THR A 29 3.488 9.563 -4.176 1.00 0.58 H new ATOM 0 HB THR A 29 3.084 11.008 -1.526 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.123 12.259 -3.073 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.315 11.969 -1.924 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.376 10.198 -1.756 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.494 10.944 -3.368 1.00 0.77 H new ATOM 401 N GLY A 30 2.929 8.148 -1.243 1.00 0.54 N ATOM 402 CA GLY A 30 3.371 7.075 -0.372 1.00 0.57 C ATOM 403 C GLY A 30 3.167 5.712 -0.998 1.00 0.47 C ATOM 404 O GLY A 30 3.995 4.816 -0.837 1.00 0.51 O ATOM 0 H GLY A 30 2.082 8.626 -0.937 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.427 7.211 -0.137 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.826 7.126 0.570 1.00 0.57 H new ATOM 408 N VAL A 31 2.068 5.558 -1.724 1.00 0.41 N ATOM 409 CA VAL A 31 1.786 4.309 -2.419 1.00 0.44 C ATOM 410 C VAL A 31 2.821 4.069 -3.507 1.00 0.39 C ATOM 411 O VAL A 31 3.370 2.975 -3.624 1.00 0.40 O ATOM 412 CB VAL A 31 0.384 4.317 -3.065 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.001 2.928 -3.545 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.658 4.857 -2.100 1.00 0.65 C ATOM 0 H VAL A 31 1.359 6.280 -1.847 1.00 0.41 H new ATOM 0 HA VAL A 31 1.825 3.512 -1.676 1.00 0.44 H new ATOM 0 HB VAL A 31 0.419 4.979 -3.930 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.991 2.960 -3.996 1.00 0.68 H new ATOM 0 HG12 VAL A 31 0.725 2.586 -4.284 1.00 0.68 H new ATOM 0 HG13 VAL A 31 -0.007 2.240 -2.699 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.636 4.852 -2.581 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.688 4.230 -1.209 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.398 5.877 -1.817 1.00 0.65 H new ATOM 424 N LYS A 32 3.096 5.105 -4.289 1.00 0.40 N ATOM 425 CA LYS A 32 4.085 5.016 -5.357 1.00 0.46 C ATOM 426 C LYS A 32 5.476 4.797 -4.767 1.00 0.44 C ATOM 427 O LYS A 32 6.351 4.214 -5.406 1.00 0.49 O ATOM 428 CB LYS A 32 4.055 6.282 -6.218 1.00 0.58 C ATOM 429 CG LYS A 32 4.940 6.204 -7.453 1.00 1.05 C ATOM 430 CD LYS A 32 4.811 7.449 -8.317 1.00 1.14 C ATOM 431 CE LYS A 32 3.402 7.605 -8.868 1.00 1.31 C ATOM 432 NZ LYS A 32 3.269 8.820 -9.712 1.00 1.54 N ATOM 0 H LYS A 32 2.648 6.017 -4.204 1.00 0.40 H new ATOM 0 HA LYS A 32 3.841 4.165 -5.993 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.028 6.474 -6.529 1.00 0.58 H new ATOM 0 HB3 LYS A 32 4.368 7.131 -5.611 1.00 0.58 H new ATOM 0 HG2 LYS A 32 5.979 6.078 -7.149 1.00 1.05 H new ATOM 0 HG3 LYS A 32 4.671 5.325 -8.039 1.00 1.05 H new ATOM 0 HD2 LYS A 32 5.072 8.329 -7.729 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.521 7.395 -9.142 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.142 6.724 -9.456 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.693 7.657 -8.042 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.294 8.890 -10.068 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.492 9.663 -9.145 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 3.927 8.759 -10.515 1.00 1.54 H new ATOM 446 N ASN A 33 5.668 5.249 -3.535 1.00 0.41 N ATOM 447 CA ASN A 33 6.922 5.033 -2.829 1.00 0.44 C ATOM 448 C ASN A 33 7.068 3.556 -2.490 1.00 0.39 C ATOM 449 O ASN A 33 8.045 2.915 -2.855 1.00 0.46 O ATOM 450 CB ASN A 33 6.960 5.874 -1.541 1.00 0.52 C ATOM 451 CG ASN A 33 8.327 5.900 -0.868 1.00 1.19 C ATOM 452 OD1 ASN A 33 9.088 4.937 -0.920 1.00 2.11 O ATOM 453 ND2 ASN A 33 8.644 7.016 -0.226 1.00 1.58 N ATOM 0 H ASN A 33 4.969 5.768 -3.004 1.00 0.41 H new ATOM 0 HA ASN A 33 7.749 5.340 -3.470 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.660 6.896 -1.775 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.226 5.480 -0.838 1.00 0.52 H new ATOM 0 HD21 ASN A 33 9.545 7.095 0.246 1.00 1.58 H new ATOM 0 HD22 ASN A 33 7.987 7.796 -0.204 1.00 1.58 H new ATOM 460 N ILE A 34 6.074 3.019 -1.811 1.00 0.36 N ATOM 461 CA ILE A 34 6.075 1.619 -1.426 1.00 0.40 C ATOM 462 C ILE A 34 6.135 0.692 -2.636 1.00 0.48 C ATOM 463 O ILE A 34 6.691 -0.404 -2.572 1.00 0.57 O ATOM 464 CB ILE A 34 4.836 1.330 -0.547 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.030 1.986 0.821 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.549 -0.154 -0.403 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.432 1.817 1.375 1.00 0.58 C ATOM 0 H ILE A 34 5.247 3.536 -1.511 1.00 0.36 H new ATOM 0 HA ILE A 34 6.976 1.418 -0.847 1.00 0.40 H new ATOM 0 HB ILE A 34 3.964 1.756 -1.043 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.804 3.049 0.741 1.00 0.61 H new ATOM 0 HG13 ILE A 34 4.315 1.560 1.525 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.669 -0.295 0.224 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.367 -0.586 -1.387 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.405 -0.647 0.057 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.501 2.306 2.347 1.00 0.58 H new ATOM 0 HD12 ILE A 34 6.654 0.756 1.486 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.150 2.268 0.691 1.00 0.58 H new ATOM 479 N LEU A 35 5.597 1.154 -3.739 1.00 0.56 N ATOM 480 CA LEU A 35 5.607 0.384 -4.966 1.00 0.79 C ATOM 481 C LEU A 35 6.909 0.575 -5.735 1.00 0.93 C ATOM 482 O LEU A 35 7.752 -0.320 -5.792 1.00 1.31 O ATOM 483 CB LEU A 35 4.413 0.789 -5.825 1.00 1.04 C ATOM 484 CG LEU A 35 3.149 -0.050 -5.619 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.922 -0.377 -4.150 1.00 1.36 C ATOM 486 CD2 LEU A 35 1.936 0.665 -6.175 1.00 1.93 C ATOM 0 H LEU A 35 5.144 2.064 -3.815 1.00 0.56 H new ATOM 0 HA LEU A 35 5.533 -0.674 -4.713 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.175 1.833 -5.619 1.00 1.04 H new ATOM 0 HB3 LEU A 35 4.703 0.729 -6.874 1.00 1.04 H new ATOM 0 HG LEU A 35 3.294 -0.986 -6.158 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.016 -0.973 -4.046 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.773 -0.940 -3.767 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.815 0.548 -3.584 1.00 1.36 H new ATOM 0 HD21 LEU A 35 1.049 0.052 -6.018 1.00 1.93 H new ATOM 0 HD22 LEU A 35 1.811 1.620 -5.665 1.00 1.93 H new ATOM 0 HD23 LEU A 35 2.073 0.838 -7.242 1.00 1.93 H new ATOM 498 N ASN A 36 7.077 1.759 -6.291 1.00 0.89 N ATOM 499 CA ASN A 36 8.193 2.049 -7.185 1.00 1.06 C ATOM 500 C ASN A 36 9.488 2.350 -6.435 1.00 1.01 C ATOM 501 O ASN A 36 10.577 2.149 -6.970 1.00 1.13 O ATOM 502 CB ASN A 36 7.853 3.238 -8.083 1.00 1.21 C ATOM 503 CG ASN A 36 6.818 2.895 -9.137 1.00 1.58 C ATOM 504 OD1 ASN A 36 5.617 3.019 -8.907 1.00 2.45 O ATOM 505 ND2 ASN A 36 7.280 2.466 -10.301 1.00 1.81 N ATOM 0 H ASN A 36 6.449 2.548 -6.140 1.00 0.89 H new ATOM 0 HA ASN A 36 8.354 1.151 -7.782 1.00 1.06 H new ATOM 0 HB2 ASN A 36 7.482 4.058 -7.469 1.00 1.21 H new ATOM 0 HB3 ASN A 36 8.761 3.591 -8.572 1.00 1.21 H new ATOM 0 HD21 ASN A 36 6.631 2.224 -11.049 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.285 2.378 -10.450 1.00 1.81 H new ATOM 512 N SER A 37 9.382 2.835 -5.209 1.00 0.90 N ATOM 513 CA SER A 37 10.563 3.267 -4.473 1.00 0.98 C ATOM 514 C SER A 37 11.011 2.236 -3.439 1.00 0.84 C ATOM 515 O SER A 37 11.822 2.548 -2.563 1.00 0.94 O ATOM 516 CB SER A 37 10.306 4.614 -3.802 1.00 1.05 C ATOM 517 OG SER A 37 9.980 5.603 -4.764 1.00 1.55 O ATOM 0 H SER A 37 8.501 2.940 -4.705 1.00 0.90 H new ATOM 0 HA SER A 37 11.373 3.372 -5.195 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.492 4.518 -3.083 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.190 4.921 -3.243 1.00 1.05 H new ATOM 0 HG SER A 37 9.818 6.458 -4.313 1.00 1.55 H new ATOM 523 N SER A 38 10.487 1.017 -3.532 1.00 0.67 N ATOM 524 CA SER A 38 11.022 -0.086 -2.744 1.00 0.58 C ATOM 525 C SER A 38 12.485 -0.299 -3.143 1.00 0.67 C ATOM 526 O SER A 38 12.779 -0.819 -4.222 1.00 1.22 O ATOM 527 CB SER A 38 10.195 -1.357 -2.962 1.00 0.54 C ATOM 528 OG SER A 38 9.913 -1.570 -4.340 1.00 1.43 O ATOM 0 H SER A 38 9.703 0.771 -4.137 1.00 0.67 H new ATOM 0 HA SER A 38 10.967 0.153 -1.682 1.00 0.58 H new ATOM 0 HB2 SER A 38 10.735 -2.216 -2.564 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.260 -1.283 -2.406 1.00 0.54 H new ATOM 0 HG SER A 38 9.105 -1.075 -4.589 1.00 1.43 H new ATOM 534 N ARG A 39 13.391 0.145 -2.276 1.00 0.87 N ATOM 535 CA ARG A 39 14.814 0.250 -2.605 1.00 1.08 C ATOM 536 C ARG A 39 15.383 -1.048 -3.169 1.00 0.84 C ATOM 537 O ARG A 39 15.889 -1.083 -4.292 1.00 1.22 O ATOM 538 CB ARG A 39 15.609 0.654 -1.364 1.00 1.40 C ATOM 539 CG ARG A 39 17.110 0.735 -1.600 1.00 1.90 C ATOM 540 CD ARG A 39 17.867 0.928 -0.298 1.00 2.25 C ATOM 541 NE ARG A 39 17.574 2.220 0.321 1.00 2.89 N ATOM 542 CZ ARG A 39 17.013 2.362 1.520 1.00 3.60 C ATOM 543 NH1 ARG A 39 16.614 1.294 2.201 1.00 3.87 N ATOM 544 NH2 ARG A 39 16.833 3.573 2.029 1.00 4.47 N ATOM 0 H ARG A 39 13.163 0.442 -1.327 1.00 0.87 H new ATOM 0 HA ARG A 39 14.905 1.013 -3.378 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.252 1.623 -1.014 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.413 -0.064 -0.568 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.452 -0.177 -2.090 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.329 1.562 -2.276 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.607 0.127 0.394 1.00 2.25 H new ATOM 0 HD3 ARG A 39 18.938 0.851 -0.487 1.00 2.25 H new ATOM 0 HE ARG A 39 17.814 3.065 -0.198 1.00 2.89 H new ATOM 0 HH11 ARG A 39 16.737 0.362 1.806 1.00 3.87 H new ATOM 0 HH12 ARG A 39 16.185 1.406 3.119 1.00 3.87 H new ATOM 0 HH21 ARG A 39 17.124 4.396 1.502 1.00 4.47 H new ATOM 0 HH22 ARG A 39 16.403 3.681 2.948 1.00 4.47 H new ATOM 558 N THR A 40 15.285 -2.109 -2.395 1.00 0.62 N ATOM 559 CA THR A 40 15.937 -3.362 -2.729 1.00 0.70 C ATOM 560 C THR A 40 14.955 -4.516 -2.639 1.00 0.75 C ATOM 561 O THR A 40 13.757 -4.308 -2.439 1.00 0.61 O ATOM 562 CB THR A 40 17.119 -3.633 -1.775 1.00 0.88 C ATOM 563 OG1 THR A 40 16.666 -3.608 -0.415 1.00 1.59 O ATOM 564 CG2 THR A 40 18.220 -2.603 -1.960 1.00 1.25 C ATOM 0 H THR A 40 14.756 -2.130 -1.523 1.00 0.62 H new ATOM 0 HA THR A 40 16.308 -3.280 -3.750 1.00 0.70 H new ATOM 0 HB THR A 40 17.523 -4.618 -2.011 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.421 -3.782 0.185 1.00 1.59 H new ATOM 0 HG21 THR A 40 19.040 -2.819 -1.275 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.585 -2.641 -2.986 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.826 -1.608 -1.752 1.00 1.25 H new ATOM 572 N THR A 41 15.459 -5.730 -2.777 1.00 1.03 N ATOM 573 CA THR A 41 14.628 -6.911 -2.643 1.00 1.16 C ATOM 574 C THR A 41 14.111 -7.033 -1.219 1.00 1.04 C ATOM 575 O THR A 41 12.932 -7.279 -1.001 1.00 0.97 O ATOM 576 CB THR A 41 15.410 -8.182 -2.999 1.00 1.58 C ATOM 577 OG1 THR A 41 16.088 -7.998 -4.249 1.00 1.79 O ATOM 578 CG2 THR A 41 14.483 -9.390 -3.079 1.00 1.73 C ATOM 0 H THR A 41 16.440 -5.922 -2.982 1.00 1.03 H new ATOM 0 HA THR A 41 13.791 -6.805 -3.333 1.00 1.16 H new ATOM 0 HB THR A 41 16.142 -8.369 -2.213 1.00 1.58 H new ATOM 0 HG1 THR A 41 16.588 -8.811 -4.473 1.00 1.79 H new ATOM 0 HG21 THR A 41 15.063 -10.277 -3.333 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.995 -9.539 -2.116 1.00 1.73 H new ATOM 0 HG23 THR A 41 13.727 -9.219 -3.846 1.00 1.73 H new ATOM 586 N ALA A 42 15.003 -6.837 -0.255 1.00 1.12 N ATOM 587 CA ALA A 42 14.627 -6.880 1.151 1.00 1.18 C ATOM 588 C ALA A 42 13.643 -5.763 1.472 1.00 0.98 C ATOM 589 O ALA A 42 12.841 -5.871 2.397 1.00 1.13 O ATOM 590 CB ALA A 42 15.860 -6.774 2.035 1.00 1.41 C ATOM 0 H ALA A 42 15.991 -6.647 -0.422 1.00 1.12 H new ATOM 0 HA ALA A 42 14.142 -7.836 1.350 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.561 -6.808 3.083 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.532 -7.605 1.823 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.372 -5.833 1.834 1.00 1.41 H new ATOM 596 N ASP A 43 13.692 -4.705 0.674 1.00 0.74 N ATOM 597 CA ASP A 43 12.824 -3.557 0.873 1.00 0.67 C ATOM 598 C ASP A 43 11.432 -3.877 0.349 1.00 0.64 C ATOM 599 O ASP A 43 10.432 -3.525 0.962 1.00 0.93 O ATOM 600 CB ASP A 43 13.401 -2.344 0.140 1.00 0.63 C ATOM 601 CG ASP A 43 13.036 -1.012 0.780 1.00 1.00 C ATOM 602 OD1 ASP A 43 13.792 -0.543 1.656 1.00 1.18 O ATOM 603 OD2 ASP A 43 12.013 -0.412 0.387 1.00 1.72 O ATOM 0 H ASP A 43 14.327 -4.620 -0.120 1.00 0.74 H new ATOM 0 HA ASP A 43 12.758 -3.327 1.936 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.487 -2.435 0.104 1.00 0.63 H new ATOM 0 HB3 ASP A 43 13.047 -2.351 -0.891 1.00 0.63 H new ATOM 608 N ARG A 44 11.386 -4.591 -0.771 1.00 0.54 N ATOM 609 CA ARG A 44 10.124 -4.927 -1.422 1.00 0.61 C ATOM 610 C ARG A 44 9.530 -6.219 -0.855 1.00 0.67 C ATOM 611 O ARG A 44 8.316 -6.414 -0.864 1.00 0.93 O ATOM 612 CB ARG A 44 10.333 -5.053 -2.931 1.00 0.76 C ATOM 613 CG ARG A 44 9.053 -5.295 -3.725 1.00 1.39 C ATOM 614 CD ARG A 44 9.290 -5.140 -5.221 1.00 1.53 C ATOM 615 NE ARG A 44 10.318 -6.055 -5.723 1.00 1.70 N ATOM 616 CZ ARG A 44 11.583 -5.693 -5.950 1.00 2.01 C ATOM 617 NH1 ARG A 44 11.960 -4.434 -5.747 1.00 2.34 N ATOM 618 NH2 ARG A 44 12.464 -6.581 -6.389 1.00 2.70 N ATOM 0 H ARG A 44 12.213 -4.950 -1.249 1.00 0.54 H new ATOM 0 HA ARG A 44 9.415 -4.123 -1.225 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.807 -4.142 -3.297 1.00 0.76 H new ATOM 0 HB3 ARG A 44 11.026 -5.872 -3.123 1.00 0.76 H new ATOM 0 HG2 ARG A 44 8.677 -6.297 -3.516 1.00 1.39 H new ATOM 0 HG3 ARG A 44 8.284 -4.593 -3.402 1.00 1.39 H new ATOM 0 HD2 ARG A 44 8.356 -5.320 -5.754 1.00 1.53 H new ATOM 0 HD3 ARG A 44 9.586 -4.113 -5.434 1.00 1.53 H new ATOM 0 HE ARG A 44 10.053 -7.022 -5.909 1.00 1.70 H new ATOM 0 HH11 ARG A 44 11.283 -3.746 -5.418 1.00 2.34 H new ATOM 0 HH12 ARG A 44 12.926 -4.157 -5.920 1.00 2.34 H new ATOM 0 HH21 ARG A 44 12.177 -7.546 -6.555 1.00 2.70 H new ATOM 0 HH22 ARG A 44 13.429 -6.300 -6.561 1.00 2.70 H new ATOM 632 N ARG A 45 10.379 -7.104 -0.369 1.00 0.66 N ATOM 633 CA ARG A 45 9.912 -8.339 0.242 1.00 0.72 C ATOM 634 C ARG A 45 9.241 -8.025 1.571 1.00 0.76 C ATOM 635 O ARG A 45 8.088 -8.395 1.803 1.00 1.28 O ATOM 636 CB ARG A 45 11.079 -9.307 0.457 1.00 0.88 C ATOM 637 CG ARG A 45 10.703 -10.762 0.258 1.00 1.16 C ATOM 638 CD ARG A 45 11.825 -11.697 0.679 1.00 1.34 C ATOM 639 NE ARG A 45 12.042 -11.688 2.127 1.00 1.99 N ATOM 640 CZ ARG A 45 12.525 -12.724 2.816 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.831 -13.861 2.196 1.00 2.84 N ATOM 642 NH2 ARG A 45 12.700 -12.620 4.128 1.00 3.54 N ATOM 0 H ARG A 45 11.393 -6.994 -0.384 1.00 0.66 H new ATOM 0 HA ARG A 45 9.192 -8.814 -0.424 1.00 0.72 H new ATOM 0 HB2 ARG A 45 11.885 -9.051 -0.231 1.00 0.88 H new ATOM 0 HB3 ARG A 45 11.468 -9.175 1.467 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.806 -10.988 0.835 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.460 -10.935 -0.790 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.591 -12.711 0.355 1.00 1.34 H new ATOM 0 HD3 ARG A 45 12.746 -11.406 0.174 1.00 1.34 H new ATOM 0 HE ARG A 45 11.810 -10.838 2.641 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.697 -13.945 1.188 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.200 -14.649 2.728 1.00 2.84 H new ATOM 0 HH21 ARG A 45 12.465 -11.750 4.606 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.069 -13.410 4.658 1.00 3.54 H new ATOM 656 N ALA A 46 9.957 -7.306 2.420 1.00 0.51 N ATOM 657 CA ALA A 46 9.449 -6.935 3.731 1.00 0.53 C ATOM 658 C ALA A 46 8.287 -5.952 3.620 1.00 0.44 C ATOM 659 O ALA A 46 7.377 -5.969 4.450 1.00 0.53 O ATOM 660 CB ALA A 46 10.561 -6.343 4.577 1.00 0.64 C ATOM 0 H ALA A 46 10.898 -6.966 2.223 1.00 0.51 H new ATOM 0 HA ALA A 46 9.077 -7.838 4.214 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.167 -6.070 5.556 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.357 -7.078 4.698 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.959 -5.455 4.085 1.00 0.64 H new ATOM 666 N VAL A 47 8.317 -5.100 2.599 1.00 0.35 N ATOM 667 CA VAL A 47 7.261 -4.108 2.416 1.00 0.38 C ATOM 668 C VAL A 47 5.928 -4.799 2.184 1.00 0.42 C ATOM 669 O VAL A 47 4.896 -4.309 2.614 1.00 0.50 O ATOM 670 CB VAL A 47 7.554 -3.122 1.252 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.286 -3.738 -0.109 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.742 -1.857 1.410 1.00 0.70 C ATOM 0 H VAL A 47 9.052 -5.076 1.893 1.00 0.35 H new ATOM 0 HA VAL A 47 7.221 -3.519 3.332 1.00 0.38 H new ATOM 0 HB VAL A 47 8.616 -2.882 1.302 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.506 -3.008 -0.888 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.920 -4.614 -0.243 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.239 -4.034 -0.175 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.961 -1.179 0.585 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.680 -2.103 1.405 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.999 -1.375 2.354 1.00 0.70 H new ATOM 682 N CYS A 48 5.959 -5.958 1.531 1.00 0.44 N ATOM 683 CA CYS A 48 4.747 -6.723 1.301 1.00 0.56 C ATOM 684 C CYS A 48 4.310 -7.397 2.598 1.00 0.59 C ATOM 685 O CYS A 48 3.126 -7.410 2.940 1.00 0.68 O ATOM 686 CB CYS A 48 4.967 -7.766 0.198 1.00 0.68 C ATOM 687 SG CYS A 48 3.482 -8.739 -0.225 1.00 1.78 S ATOM 0 H CYS A 48 6.807 -6.382 1.156 1.00 0.44 H new ATOM 0 HA CYS A 48 3.959 -6.046 0.971 1.00 0.56 H new ATOM 0 HB2 CYS A 48 5.322 -7.259 -0.699 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.757 -8.449 0.512 1.00 0.68 H new ATOM 692 N SER A 49 5.281 -7.937 3.331 1.00 0.59 N ATOM 693 CA SER A 49 5.012 -8.578 4.615 1.00 0.73 C ATOM 694 C SER A 49 4.377 -7.593 5.602 1.00 0.73 C ATOM 695 O SER A 49 3.592 -7.980 6.466 1.00 0.96 O ATOM 696 CB SER A 49 6.306 -9.148 5.192 1.00 0.84 C ATOM 697 OG SER A 49 6.946 -9.999 4.255 1.00 1.41 O ATOM 0 H SER A 49 6.263 -7.943 3.056 1.00 0.59 H new ATOM 0 HA SER A 49 4.304 -9.391 4.451 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.976 -8.333 5.467 1.00 0.84 H new ATOM 0 HB3 SER A 49 6.089 -9.703 6.104 1.00 0.84 H new ATOM 0 HG SER A 49 7.422 -9.456 3.592 1.00 1.41 H new ATOM 703 N CYS A 50 4.723 -6.321 5.474 1.00 0.57 N ATOM 704 CA CYS A 50 4.107 -5.277 6.285 1.00 0.60 C ATOM 705 C CYS A 50 2.829 -4.777 5.617 1.00 0.55 C ATOM 706 O CYS A 50 1.850 -4.457 6.289 1.00 0.59 O ATOM 707 CB CYS A 50 5.084 -4.119 6.499 1.00 0.63 C ATOM 708 SG CYS A 50 4.365 -2.659 7.333 1.00 1.11 S ATOM 0 H CYS A 50 5.427 -5.985 4.817 1.00 0.57 H new ATOM 0 HA CYS A 50 3.852 -5.697 7.258 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.928 -4.478 7.087 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.478 -3.810 5.531 1.00 0.63 H new ATOM 713 N LEU A 51 2.845 -4.744 4.284 1.00 0.51 N ATOM 714 CA LEU A 51 1.709 -4.277 3.488 1.00 0.55 C ATOM 715 C LEU A 51 0.431 -5.019 3.864 1.00 0.63 C ATOM 716 O LEU A 51 -0.622 -4.408 4.038 1.00 0.63 O ATOM 717 CB LEU A 51 1.991 -4.477 1.994 1.00 0.66 C ATOM 718 CG LEU A 51 0.843 -4.117 1.047 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.580 -2.622 1.054 1.00 1.33 C ATOM 720 CD2 LEU A 51 1.151 -4.598 -0.362 1.00 1.33 C ATOM 0 H LEU A 51 3.646 -5.040 3.726 1.00 0.51 H new ATOM 0 HA LEU A 51 1.571 -3.216 3.696 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.861 -3.879 1.724 1.00 0.66 H new ATOM 0 HB3 LEU A 51 2.259 -5.521 1.830 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.059 -4.619 1.398 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -0.240 -2.394 0.373 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.314 -2.304 2.062 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.477 -2.093 0.732 1.00 1.33 H new ATOM 0 HD21 LEU A 51 0.326 -4.335 -1.025 1.00 1.33 H new ATOM 0 HD22 LEU A 51 2.066 -4.124 -0.716 1.00 1.33 H new ATOM 0 HD23 LEU A 51 1.282 -5.680 -0.357 1.00 1.33 H new ATOM 732 N LYS A 52 0.539 -6.338 3.994 1.00 0.80 N ATOM 733 CA LYS A 52 -0.603 -7.181 4.331 1.00 0.99 C ATOM 734 C LYS A 52 -1.233 -6.754 5.658 1.00 0.92 C ATOM 735 O LYS A 52 -2.451 -6.773 5.812 1.00 1.02 O ATOM 736 CB LYS A 52 -0.178 -8.654 4.408 1.00 1.32 C ATOM 737 CG LYS A 52 0.822 -8.939 5.517 1.00 1.40 C ATOM 738 CD LYS A 52 1.102 -10.423 5.672 1.00 1.78 C ATOM 739 CE LYS A 52 1.723 -11.014 4.418 1.00 1.79 C ATOM 740 NZ LYS A 52 2.118 -12.427 4.629 1.00 2.30 N ATOM 0 H LYS A 52 1.413 -6.849 3.870 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.347 -7.063 3.543 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.063 -9.272 4.560 1.00 1.32 H new ATOM 0 HB3 LYS A 52 0.257 -8.949 3.453 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.754 -8.416 5.306 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.440 -8.543 6.458 1.00 1.40 H new ATOM 0 HD2 LYS A 52 1.771 -10.580 6.518 1.00 1.78 H new ATOM 0 HD3 LYS A 52 0.173 -10.946 5.899 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.013 -10.952 3.593 1.00 1.79 H new ATOM 0 HE3 LYS A 52 2.597 -10.429 4.131 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 2.539 -12.804 3.756 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 2.814 -12.482 5.400 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 1.279 -12.988 4.879 1.00 2.30 H new ATOM 754 N ALA A 53 -0.399 -6.348 6.612 1.00 0.88 N ATOM 755 CA ALA A 53 -0.886 -5.946 7.920 1.00 0.95 C ATOM 756 C ALA A 53 -1.269 -4.480 7.928 1.00 0.91 C ATOM 757 O ALA A 53 -2.002 -4.036 8.804 1.00 1.10 O ATOM 758 CB ALA A 53 0.148 -6.223 8.999 1.00 1.06 C ATOM 0 H ALA A 53 0.613 -6.290 6.500 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.775 -6.539 8.136 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.244 -5.912 9.967 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.371 -7.290 9.024 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.059 -5.666 8.781 1.00 1.06 H new ATOM 764 N ALA A 54 -0.760 -3.730 6.959 1.00 0.79 N ATOM 765 CA ALA A 54 -1.118 -2.328 6.810 1.00 0.87 C ATOM 766 C ALA A 54 -2.485 -2.213 6.153 1.00 0.94 C ATOM 767 O ALA A 54 -3.331 -1.430 6.581 1.00 1.16 O ATOM 768 CB ALA A 54 -0.063 -1.592 5.998 1.00 0.89 C ATOM 0 H ALA A 54 -0.096 -4.072 6.264 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.165 -1.866 7.796 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.347 -0.545 5.897 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.899 -1.659 6.506 1.00 0.89 H new ATOM 0 HB3 ALA A 54 0.016 -2.044 5.009 1.00 0.89 H new ATOM 774 N ALA A 55 -2.699 -3.021 5.121 1.00 0.88 N ATOM 775 CA ALA A 55 -3.996 -3.105 4.470 1.00 0.97 C ATOM 776 C ALA A 55 -4.986 -3.803 5.387 1.00 0.96 C ATOM 777 O ALA A 55 -6.181 -3.520 5.366 1.00 1.07 O ATOM 778 CB ALA A 55 -3.883 -3.841 3.143 1.00 1.11 C ATOM 0 H ALA A 55 -1.986 -3.629 4.718 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.355 -2.096 4.266 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -4.864 -3.893 2.671 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.194 -3.307 2.489 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.510 -4.850 3.317 1.00 1.11 H new ATOM 784 N GLY A 56 -4.472 -4.718 6.198 1.00 0.96 N ATOM 785 CA GLY A 56 -5.292 -5.393 7.181 1.00 1.05 C ATOM 786 C GLY A 56 -5.500 -4.552 8.427 1.00 0.99 C ATOM 787 O GLY A 56 -6.275 -4.917 9.308 1.00 1.08 O ATOM 0 H GLY A 56 -3.493 -5.006 6.191 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.260 -5.634 6.741 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -4.823 -6.338 7.456 1.00 1.05 H new ATOM 791 N ALA A 57 -4.817 -3.411 8.494 1.00 0.98 N ATOM 792 CA ALA A 57 -4.890 -2.536 9.661 1.00 1.11 C ATOM 793 C ALA A 57 -6.073 -1.580 9.556 1.00 1.10 C ATOM 794 O ALA A 57 -6.253 -0.706 10.405 1.00 1.53 O ATOM 795 CB ALA A 57 -3.606 -1.740 9.821 1.00 1.34 C ATOM 0 H ALA A 57 -4.206 -3.071 7.752 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.027 -3.170 10.537 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.684 -1.096 10.697 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.767 -2.424 9.948 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.444 -1.128 8.934 1.00 1.34 H new ATOM 801 N VAL A 58 -6.864 -1.741 8.502 1.00 0.89 N ATOM 802 CA VAL A 58 -8.009 -0.875 8.249 1.00 1.10 C ATOM 803 C VAL A 58 -9.121 -1.079 9.284 1.00 1.08 C ATOM 804 O VAL A 58 -10.035 -1.888 9.109 1.00 1.78 O ATOM 805 CB VAL A 58 -8.552 -1.064 6.812 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.530 -0.547 5.809 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.888 -2.525 6.524 1.00 2.36 C ATOM 0 H VAL A 58 -6.731 -2.471 7.802 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.657 0.152 8.345 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.476 -0.493 6.719 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.913 -0.681 4.797 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -7.346 0.512 5.990 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.598 -1.102 5.920 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.266 -2.618 5.506 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.990 -3.133 6.634 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.648 -2.869 7.226 1.00 2.36 H new ATOM 817 N ARG A 59 -9.001 -0.364 10.394 1.00 0.92 N ATOM 818 CA ARG A 59 -10.026 -0.352 11.423 1.00 1.16 C ATOM 819 C ARG A 59 -10.813 0.946 11.333 1.00 1.18 C ATOM 820 O ARG A 59 -10.339 2.002 11.755 1.00 1.83 O ATOM 821 CB ARG A 59 -9.405 -0.500 12.811 1.00 1.63 C ATOM 822 CG ARG A 59 -8.763 -1.857 13.058 1.00 2.16 C ATOM 823 CD ARG A 59 -9.760 -2.989 12.866 1.00 2.64 C ATOM 824 NE ARG A 59 -10.974 -2.783 13.652 1.00 3.01 N ATOM 825 CZ ARG A 59 -12.165 -3.284 13.328 1.00 3.85 C ATOM 826 NH1 ARG A 59 -12.289 -4.075 12.267 1.00 4.30 N ATOM 827 NH2 ARG A 59 -13.228 -3.003 14.072 1.00 4.65 N ATOM 0 H ARG A 59 -8.193 0.221 10.604 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.697 -1.196 11.264 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -8.653 0.277 12.946 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -10.176 -0.332 13.563 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -7.922 -1.992 12.378 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -8.362 -1.892 14.071 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -10.020 -3.069 11.810 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -9.297 -3.933 13.153 1.00 2.64 H new ATOM 0 HE ARG A 59 -10.906 -2.221 14.501 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -11.472 -4.299 11.700 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -13.202 -4.458 12.020 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -13.133 -2.403 14.892 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -14.140 -3.387 13.824 1.00 4.65 H new ATOM 841 N GLY A 60 -11.995 0.868 10.748 1.00 1.26 N ATOM 842 CA GLY A 60 -12.766 2.061 10.464 1.00 1.50 C ATOM 843 C GLY A 60 -12.463 2.578 9.075 1.00 1.68 C ATOM 844 O GLY A 60 -13.149 3.458 8.557 1.00 2.01 O ATOM 0 H GLY A 60 -12.439 -0.005 10.462 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -13.830 1.841 10.551 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -12.538 2.831 11.201 1.00 1.50 H new ATOM 848 N ILE A 61 -11.417 2.016 8.480 1.00 1.67 N ATOM 849 CA ILE A 61 -11.017 2.353 7.126 1.00 1.93 C ATOM 850 C ILE A 61 -11.652 1.373 6.154 1.00 1.67 C ATOM 851 O ILE A 61 -11.742 0.176 6.431 1.00 2.21 O ATOM 852 CB ILE A 61 -9.474 2.337 6.941 1.00 2.53 C ATOM 853 CG1 ILE A 61 -8.814 3.513 7.666 1.00 3.45 C ATOM 854 CG2 ILE A 61 -9.099 2.367 5.466 1.00 2.78 C ATOM 855 CD1 ILE A 61 -8.866 3.424 9.173 1.00 3.54 C ATOM 0 H ILE A 61 -10.825 1.315 8.925 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.359 3.368 6.927 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.107 1.409 7.379 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -7.772 3.578 7.354 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -9.299 4.437 7.352 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -8.014 2.355 5.366 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.519 1.494 4.966 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -9.495 3.273 5.008 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.376 4.296 9.606 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -9.905 3.392 9.500 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.354 2.520 9.502 1.00 3.54 H new ATOM 867 N ASN A 62 -12.086 1.882 5.021 1.00 1.52 N ATOM 868 CA ASN A 62 -12.734 1.057 4.013 1.00 1.54 C ATOM 869 C ASN A 62 -11.715 0.545 3.009 1.00 1.47 C ATOM 870 O ASN A 62 -11.076 1.329 2.313 1.00 1.53 O ATOM 871 CB ASN A 62 -13.839 1.832 3.292 1.00 1.94 C ATOM 872 CG ASN A 62 -15.115 1.922 4.106 1.00 2.79 C ATOM 873 OD1 ASN A 62 -15.089 1.974 5.336 1.00 3.22 O ATOM 874 ND2 ASN A 62 -16.247 1.924 3.420 1.00 3.41 N ATOM 0 H ASN A 62 -12.003 2.867 4.770 1.00 1.52 H new ATOM 0 HA ASN A 62 -13.189 0.206 4.520 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.484 2.838 3.067 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -14.054 1.349 2.339 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -17.140 1.970 3.910 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -16.226 1.880 2.401 1.00 3.41 H new ATOM 881 N PRO A 63 -11.570 -0.785 2.906 1.00 1.67 N ATOM 882 CA PRO A 63 -10.552 -1.403 2.068 1.00 1.87 C ATOM 883 C PRO A 63 -10.926 -1.381 0.590 1.00 1.64 C ATOM 884 O PRO A 63 -10.084 -1.610 -0.277 1.00 1.59 O ATOM 885 CB PRO A 63 -10.452 -2.843 2.585 1.00 2.43 C ATOM 886 CG PRO A 63 -11.560 -3.028 3.581 1.00 2.38 C ATOM 887 CD PRO A 63 -12.405 -1.785 3.581 1.00 2.01 C ATOM 0 HA PRO A 63 -9.606 -0.865 2.129 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -10.547 -3.555 1.765 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -9.482 -3.020 3.050 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -12.163 -3.898 3.321 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -11.151 -3.209 4.575 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -13.345 -1.942 3.052 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -12.658 -1.475 4.595 1.00 2.01 H new ATOM 895 N ASN A 64 -12.188 -1.088 0.302 1.00 1.59 N ATOM 896 CA ASN A 64 -12.632 -0.927 -1.079 1.00 1.51 C ATOM 897 C ASN A 64 -11.958 0.293 -1.702 1.00 1.16 C ATOM 898 O ASN A 64 -11.732 0.347 -2.910 1.00 1.11 O ATOM 899 CB ASN A 64 -14.159 -0.793 -1.155 1.00 1.72 C ATOM 900 CG ASN A 64 -14.682 0.460 -0.475 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.931 0.466 0.730 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.867 1.523 -1.244 1.00 2.83 N ATOM 0 H ASN A 64 -12.919 -0.957 1.001 1.00 1.59 H new ATOM 0 HA ASN A 64 -12.346 -1.817 -1.639 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.465 -0.786 -2.201 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.618 -1.668 -0.694 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.228 2.387 -0.841 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -14.648 1.477 -2.239 1.00 2.83 H new ATOM 909 N ASN A 65 -11.619 1.260 -0.854 1.00 0.99 N ATOM 910 CA ASN A 65 -10.916 2.459 -1.286 1.00 0.74 C ATOM 911 C ASN A 65 -9.443 2.152 -1.512 1.00 0.69 C ATOM 912 O ASN A 65 -8.751 2.869 -2.229 1.00 0.60 O ATOM 913 CB ASN A 65 -11.069 3.562 -0.242 1.00 0.74 C ATOM 914 CG ASN A 65 -12.509 4.009 -0.066 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.288 4.027 -1.019 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.880 4.354 1.156 1.00 1.13 N ATOM 0 H ASN A 65 -11.823 1.233 0.145 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.350 2.801 -2.225 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.684 3.207 0.714 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.460 4.418 -0.533 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.841 4.648 1.334 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.206 4.326 1.921 1.00 1.13 H new ATOM 923 N ALA A 66 -8.973 1.070 -0.904 1.00 0.93 N ATOM 924 CA ALA A 66 -7.580 0.659 -1.044 1.00 1.07 C ATOM 925 C ALA A 66 -7.341 0.026 -2.409 1.00 1.02 C ATOM 926 O ALA A 66 -6.244 0.096 -2.949 1.00 1.05 O ATOM 927 CB ALA A 66 -7.191 -0.300 0.071 1.00 1.43 C ATOM 0 H ALA A 66 -9.535 0.461 -0.309 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.951 1.546 -0.966 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.149 -0.595 -0.050 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.319 0.192 1.035 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -7.826 -1.185 0.028 1.00 1.43 H new ATOM 933 N GLU A 67 -8.377 -0.594 -2.954 1.00 1.07 N ATOM 934 CA GLU A 67 -8.332 -1.133 -4.309 1.00 1.12 C ATOM 935 C GLU A 67 -8.493 -0.010 -5.317 1.00 0.94 C ATOM 936 O GLU A 67 -7.912 -0.025 -6.401 1.00 1.00 O ATOM 937 CB GLU A 67 -9.455 -2.145 -4.503 1.00 1.50 C ATOM 938 CG GLU A 67 -9.226 -3.438 -3.769 1.00 1.80 C ATOM 939 CD GLU A 67 -8.081 -4.220 -4.370 1.00 2.05 C ATOM 940 OE1 GLU A 67 -8.329 -5.013 -5.306 1.00 2.41 O ATOM 941 OE2 GLU A 67 -6.928 -4.030 -3.942 1.00 2.41 O ATOM 0 H GLU A 67 -9.266 -0.738 -2.476 1.00 1.07 H new ATOM 0 HA GLU A 67 -7.370 -1.623 -4.460 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -10.393 -1.705 -4.165 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -9.566 -2.354 -5.567 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.015 -3.230 -2.720 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -10.134 -4.040 -3.798 1.00 1.80 H new ATOM 948 N ALA A 68 -9.282 0.971 -4.922 1.00 0.86 N ATOM 949 CA ALA A 68 -9.579 2.121 -5.752 1.00 0.92 C ATOM 950 C ALA A 68 -8.422 3.111 -5.738 1.00 0.89 C ATOM 951 O ALA A 68 -8.428 4.107 -6.462 1.00 1.14 O ATOM 952 CB ALA A 68 -10.851 2.773 -5.241 1.00 1.00 C ATOM 0 H ALA A 68 -9.738 0.992 -4.010 1.00 0.86 H new ATOM 0 HA ALA A 68 -9.721 1.800 -6.784 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -11.088 3.641 -5.856 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -11.672 2.058 -5.291 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -10.708 3.089 -4.208 1.00 1.00 H new ATOM 958 N LEU A 69 -7.429 2.808 -4.922 1.00 0.79 N ATOM 959 CA LEU A 69 -6.296 3.691 -4.713 1.00 1.01 C ATOM 960 C LEU A 69 -5.258 3.578 -5.841 1.00 1.08 C ATOM 961 O LEU A 69 -4.954 4.578 -6.495 1.00 1.37 O ATOM 962 CB LEU A 69 -5.665 3.392 -3.352 1.00 1.16 C ATOM 963 CG LEU A 69 -4.509 4.298 -2.960 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.945 5.752 -3.014 1.00 2.29 C ATOM 965 CD2 LEU A 69 -4.012 3.925 -1.572 1.00 1.96 C ATOM 0 H LEU A 69 -7.385 1.942 -4.385 1.00 0.79 H new ATOM 0 HA LEU A 69 -6.656 4.720 -4.727 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -6.438 3.465 -2.587 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.313 2.360 -3.352 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.688 4.166 -3.665 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -4.110 6.393 -2.731 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -5.265 5.998 -4.026 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -5.773 5.909 -2.323 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -3.183 4.577 -1.295 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -4.822 4.042 -0.852 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -3.674 2.889 -1.573 1.00 1.96 H new ATOM 977 N PRO A 70 -4.705 2.371 -6.108 1.00 0.88 N ATOM 978 CA PRO A 70 -3.680 2.191 -7.146 1.00 0.91 C ATOM 979 C PRO A 70 -4.179 2.615 -8.520 1.00 1.02 C ATOM 980 O PRO A 70 -3.395 3.007 -9.388 1.00 1.20 O ATOM 981 CB PRO A 70 -3.386 0.685 -7.122 1.00 0.77 C ATOM 982 CG PRO A 70 -4.554 0.073 -6.431 1.00 0.78 C ATOM 983 CD PRO A 70 -5.019 1.096 -5.442 1.00 0.78 C ATOM 0 HA PRO A 70 -2.799 2.804 -6.955 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -3.273 0.289 -8.131 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.458 0.473 -6.591 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.344 -0.174 -7.140 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -4.272 -0.854 -5.932 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -6.085 1.001 -5.235 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.499 1.000 -4.489 1.00 0.78 H new ATOM 991 N GLY A 71 -5.492 2.546 -8.696 1.00 1.06 N ATOM 992 CA GLY A 71 -6.110 2.947 -9.941 1.00 1.36 C ATOM 993 C GLY A 71 -5.930 4.427 -10.231 1.00 1.09 C ATOM 994 O GLY A 71 -5.785 4.828 -11.385 1.00 1.18 O ATOM 0 H GLY A 71 -6.146 2.214 -7.987 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.683 2.366 -10.758 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -7.174 2.714 -9.906 1.00 1.36 H new ATOM 998 N LYS A 72 -5.949 5.242 -9.184 1.00 0.90 N ATOM 999 CA LYS A 72 -5.795 6.683 -9.336 1.00 0.78 C ATOM 1000 C LYS A 72 -4.331 7.079 -9.457 1.00 0.73 C ATOM 1001 O LYS A 72 -3.964 7.885 -10.309 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.414 7.411 -8.144 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.824 6.959 -7.814 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.735 7.059 -9.022 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.791 8.477 -9.569 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.247 9.458 -8.548 1.00 2.61 N ATOM 0 H LYS A 72 -6.070 4.930 -8.220 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.309 6.970 -10.253 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.781 7.261 -7.270 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.425 8.481 -8.350 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.803 5.929 -7.457 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.223 7.570 -7.004 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.383 6.382 -9.801 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.739 6.735 -8.748 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -7.803 8.764 -9.930 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.465 8.507 -10.425 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -9.416 10.378 -9.002 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.129 9.120 -8.112 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -8.516 9.562 -7.816 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.493 6.501 -8.606 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.092 6.899 -8.522 1.00 0.63 C ATOM 1022 C CYS A 73 -1.266 6.288 -9.659 1.00 0.62 C ATOM 1023 O CYS A 73 -0.046 6.442 -9.700 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.524 6.497 -7.159 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.610 6.947 -5.762 1.00 1.65 S ATOM 0 H CYS A 73 -3.758 5.755 -7.963 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.034 7.982 -8.628 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.356 5.420 -7.147 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.553 6.973 -7.023 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.946 5.593 -10.570 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.294 5.055 -11.752 1.00 0.67 C ATOM 1032 C GLY A 74 -0.291 3.970 -11.429 1.00 0.66 C ATOM 1033 O GLY A 74 0.742 3.851 -12.087 1.00 0.96 O ATOM 0 H GLY A 74 -2.944 5.392 -10.508 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.050 4.654 -12.427 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.790 5.863 -12.282 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.597 3.168 -10.421 1.00 0.55 N ATOM 1038 CA VAL A 75 0.312 2.122 -9.983 1.00 0.61 C ATOM 1039 C VAL A 75 -0.419 0.799 -9.767 1.00 0.80 C ATOM 1040 O VAL A 75 -0.627 0.362 -8.636 1.00 1.70 O ATOM 1041 CB VAL A 75 1.071 2.523 -8.696 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.220 3.468 -9.019 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.129 3.167 -7.686 1.00 0.51 C ATOM 0 H VAL A 75 -1.467 3.222 -9.892 1.00 0.55 H new ATOM 0 HA VAL A 75 1.041 1.988 -10.782 1.00 0.61 H new ATOM 0 HB VAL A 75 1.481 1.615 -8.254 1.00 0.63 H new ATOM 0 HG11 VAL A 75 2.740 3.737 -8.099 1.00 1.09 H new ATOM 0 HG12 VAL A 75 2.916 2.976 -9.698 1.00 1.09 H new ATOM 0 HG13 VAL A 75 1.828 4.369 -9.491 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.687 3.440 -6.790 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -0.316 4.061 -8.122 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.659 2.461 -7.422 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.821 0.174 -10.862 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.511 -1.105 -10.801 1.00 0.90 C ATOM 1055 C ASN A 76 -0.512 -2.258 -10.854 1.00 0.81 C ATOM 1056 O ASN A 76 -0.106 -2.711 -11.923 1.00 0.99 O ATOM 1057 CB ASN A 76 -2.561 -1.221 -11.920 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.048 -0.777 -13.280 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -2.083 0.409 -13.611 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -1.595 -1.721 -14.085 1.00 2.31 N ATOM 0 H ASN A 76 -0.681 0.533 -11.807 1.00 0.78 H new ATOM 0 HA ASN A 76 -2.040 -1.163 -9.849 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -2.896 -2.256 -11.987 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -3.431 -0.620 -11.655 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -1.258 -1.478 -15.017 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -1.582 -2.693 -13.775 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.087 -2.692 -9.678 1.00 0.78 N ATOM 1068 CA ILE A 77 0.851 -3.801 -9.552 1.00 0.91 C ATOM 1069 C ILE A 77 0.158 -5.145 -9.788 1.00 0.85 C ATOM 1070 O ILE A 77 -1.065 -5.253 -9.660 1.00 0.82 O ATOM 1071 CB ILE A 77 1.560 -3.820 -8.172 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.589 -4.136 -7.014 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.275 -2.502 -7.931 1.00 1.83 C ATOM 1074 CD1 ILE A 77 -0.408 -3.040 -6.683 1.00 1.17 C ATOM 0 H ILE A 77 -0.379 -2.290 -8.788 1.00 0.78 H new ATOM 0 HA ILE A 77 1.608 -3.647 -10.321 1.00 0.91 H new ATOM 0 HB ILE A 77 2.294 -4.626 -8.195 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.037 -5.043 -7.262 1.00 1.12 H new ATOM 0 HG13 ILE A 77 1.174 -4.353 -6.121 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.768 -2.528 -6.959 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.019 -2.344 -8.712 1.00 1.83 H new ATOM 0 HG23 ILE A 77 1.551 -1.687 -7.949 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -1.042 -3.362 -5.857 1.00 1.17 H new ATOM 0 HD12 ILE A 77 0.128 -2.135 -6.397 1.00 1.17 H new ATOM 0 HD13 ILE A 77 -1.027 -2.835 -7.557 1.00 1.17 H new ATOM 1086 N PRO A 78 0.933 -6.183 -10.156 1.00 0.96 N ATOM 1087 CA PRO A 78 0.391 -7.521 -10.423 1.00 1.03 C ATOM 1088 C PRO A 78 -0.054 -8.252 -9.157 1.00 0.91 C ATOM 1089 O PRO A 78 -0.914 -9.133 -9.215 1.00 1.28 O ATOM 1090 CB PRO A 78 1.564 -8.255 -11.076 1.00 1.24 C ATOM 1091 CG PRO A 78 2.775 -7.574 -10.547 1.00 1.35 C ATOM 1092 CD PRO A 78 2.391 -6.130 -10.371 1.00 1.15 C ATOM 0 HA PRO A 78 -0.505 -7.471 -11.042 1.00 1.03 H new ATOM 0 HB2 PRO A 78 1.561 -9.314 -10.819 1.00 1.24 H new ATOM 0 HB3 PRO A 78 1.516 -8.190 -12.163 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.088 -8.013 -9.600 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.613 -7.674 -11.237 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.905 -5.679 -9.522 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.645 -5.537 -11.250 1.00 1.15 H new ATOM 1100 N TYR A 79 0.530 -7.899 -8.016 1.00 0.89 N ATOM 1101 CA TYR A 79 0.156 -8.537 -6.761 1.00 0.80 C ATOM 1102 C TYR A 79 -0.940 -7.747 -6.059 1.00 0.85 C ATOM 1103 O TYR A 79 -1.401 -6.722 -6.566 1.00 1.07 O ATOM 1104 CB TYR A 79 1.366 -8.733 -5.833 1.00 0.91 C ATOM 1105 CG TYR A 79 2.058 -7.463 -5.370 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.451 -6.587 -4.467 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.338 -7.159 -5.811 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.103 -5.452 -4.031 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.993 -6.025 -5.380 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.373 -5.175 -4.489 1.00 1.10 C ATOM 1111 OH TYR A 79 4.026 -4.046 -4.055 1.00 1.38 O ATOM 0 H TYR A 79 1.254 -7.185 -7.935 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.231 -9.527 -7.003 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.039 -9.287 -4.953 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.098 -9.356 -6.348 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.456 -6.801 -4.105 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.831 -7.824 -6.505 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.620 -4.783 -3.334 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.987 -5.804 -5.739 1.00 0.99 H new ATOM 0 HH TYR A 79 4.912 -3.999 -4.472 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.349 -8.219 -4.896 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.432 -7.590 -4.173 1.00 1.11 C ATOM 1123 C LYS A 80 -2.010 -7.233 -2.745 1.00 1.06 C ATOM 1124 O LYS A 80 -0.972 -7.680 -2.258 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.658 -8.516 -4.186 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.934 -7.854 -3.698 1.00 2.02 C ATOM 1127 CD LYS A 80 -5.138 -6.496 -4.348 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.433 -6.607 -5.833 1.00 3.04 C ATOM 1129 NZ LYS A 80 -5.728 -5.280 -6.424 1.00 3.48 N ATOM 0 H LYS A 80 -0.947 -9.035 -4.435 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.695 -6.654 -4.666 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.815 -8.881 -5.201 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -3.451 -9.386 -3.563 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -5.786 -8.496 -3.919 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -4.894 -7.738 -2.615 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -5.961 -5.979 -3.854 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -4.245 -5.888 -4.202 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.579 -7.053 -6.343 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -6.281 -7.274 -5.989 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -5.432 -5.271 -7.421 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.749 -5.093 -6.364 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.210 -4.545 -5.902 1.00 3.48 H new ATOM 1143 N ILE A 81 -2.827 -6.412 -2.093 1.00 1.13 N ATOM 1144 CA ILE A 81 -2.572 -5.958 -0.732 1.00 1.19 C ATOM 1145 C ILE A 81 -3.080 -6.978 0.289 1.00 1.22 C ATOM 1146 O ILE A 81 -2.887 -6.820 1.495 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.277 -4.607 -0.477 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -4.798 -4.784 -0.568 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -2.804 -3.557 -1.476 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -5.581 -3.519 -0.289 1.00 2.55 C ATOM 0 H ILE A 81 -3.688 -6.042 -2.496 1.00 1.13 H new ATOM 0 HA ILE A 81 -1.494 -5.842 -0.618 1.00 1.19 H new ATOM 0 HB ILE A 81 -3.021 -4.264 0.525 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.053 -5.145 -1.564 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -5.107 -5.554 0.139 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.312 -2.613 -1.280 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -1.728 -3.418 -1.375 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -3.033 -3.889 -2.489 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -6.648 -3.726 -0.373 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -5.357 -3.167 0.718 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -5.302 -2.752 -1.011 1.00 2.55 H new ATOM 1162 N SER A 82 -3.742 -8.016 -0.212 1.00 1.31 N ATOM 1163 CA SER A 82 -4.360 -9.027 0.635 1.00 1.50 C ATOM 1164 C SER A 82 -3.313 -9.911 1.316 1.00 1.47 C ATOM 1165 O SER A 82 -2.143 -9.928 0.933 1.00 1.81 O ATOM 1166 CB SER A 82 -5.318 -9.882 -0.202 1.00 1.79 C ATOM 1167 OG SER A 82 -6.284 -9.070 -0.851 1.00 2.45 O ATOM 0 H SER A 82 -3.864 -8.179 -1.212 1.00 1.31 H new ATOM 0 HA SER A 82 -4.917 -8.518 1.422 1.00 1.50 H new ATOM 0 HB2 SER A 82 -4.754 -10.447 -0.944 1.00 1.79 H new ATOM 0 HB3 SER A 82 -5.818 -10.608 0.439 1.00 1.79 H new ATOM 0 HG SER A 82 -6.884 -9.635 -1.381 1.00 2.45 H new ATOM 1173 N THR A 83 -3.750 -10.661 2.318 1.00 1.47 N ATOM 1174 CA THR A 83 -2.860 -11.524 3.080 1.00 1.50 C ATOM 1175 C THR A 83 -2.644 -12.865 2.369 1.00 1.59 C ATOM 1176 O THR A 83 -2.106 -13.810 2.950 1.00 1.72 O ATOM 1177 CB THR A 83 -3.424 -11.768 4.502 1.00 1.65 C ATOM 1178 OG1 THR A 83 -4.755 -12.306 4.425 1.00 2.04 O ATOM 1179 CG2 THR A 83 -3.452 -10.474 5.304 1.00 1.68 C ATOM 0 H THR A 83 -4.723 -10.688 2.623 1.00 1.47 H new ATOM 0 HA THR A 83 -1.898 -11.018 3.160 1.00 1.50 H new ATOM 0 HB THR A 83 -2.770 -12.482 5.003 1.00 1.65 H new ATOM 0 HG1 THR A 83 -5.100 -12.457 5.330 1.00 2.04 H new ATOM 0 HG21 THR A 83 -3.852 -10.671 6.299 1.00 1.68 H new ATOM 0 HG22 THR A 83 -2.440 -10.078 5.392 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.084 -9.745 4.797 1.00 1.68 H new ATOM 1187 N SER A 84 -3.036 -12.925 1.100 1.00 1.68 N ATOM 1188 CA SER A 84 -2.951 -14.154 0.319 1.00 1.82 C ATOM 1189 C SER A 84 -1.954 -13.989 -0.829 1.00 1.55 C ATOM 1190 O SER A 84 -1.845 -14.841 -1.712 1.00 1.77 O ATOM 1191 CB SER A 84 -4.344 -14.515 -0.218 1.00 2.22 C ATOM 1192 OG SER A 84 -4.368 -15.813 -0.785 1.00 2.76 O ATOM 0 H SER A 84 -3.418 -12.130 0.588 1.00 1.68 H new ATOM 0 HA SER A 84 -2.597 -14.963 0.958 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.072 -14.458 0.591 1.00 2.22 H new ATOM 0 HB3 SER A 84 -4.645 -13.784 -0.969 1.00 2.22 H new ATOM 0 HG SER A 84 -3.585 -15.933 -1.361 1.00 2.76 H new ATOM 1198 N THR A 85 -1.211 -12.892 -0.796 1.00 1.28 N ATOM 1199 CA THR A 85 -0.264 -12.566 -1.851 1.00 1.11 C ATOM 1200 C THR A 85 0.982 -13.457 -1.801 1.00 0.96 C ATOM 1201 O THR A 85 1.615 -13.705 -2.833 1.00 1.52 O ATOM 1202 CB THR A 85 0.152 -11.088 -1.748 1.00 1.30 C ATOM 1203 OG1 THR A 85 -1.023 -10.270 -1.711 1.00 2.05 O ATOM 1204 CG2 THR A 85 1.027 -10.669 -2.920 1.00 0.91 C ATOM 0 H THR A 85 -1.247 -12.207 -0.041 1.00 1.28 H new ATOM 0 HA THR A 85 -0.763 -12.745 -2.803 1.00 1.11 H new ATOM 0 HB THR A 85 0.733 -10.960 -0.834 1.00 1.30 H new ATOM 0 HG1 THR A 85 -0.784 -9.344 -1.927 1.00 2.05 H new ATOM 0 HG21 THR A 85 1.301 -9.619 -2.813 1.00 0.91 H new ATOM 0 HG22 THR A 85 1.930 -11.280 -2.937 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.478 -10.807 -3.852 1.00 0.91 H new ATOM 1212 N ASN A 86 1.303 -13.960 -0.609 1.00 1.23 N ATOM 1213 CA ASN A 86 2.535 -14.717 -0.383 1.00 1.36 C ATOM 1214 C ASN A 86 3.747 -13.852 -0.712 1.00 1.10 C ATOM 1215 O ASN A 86 4.313 -13.921 -1.805 1.00 1.53 O ATOM 1216 CB ASN A 86 2.558 -16.018 -1.197 1.00 1.81 C ATOM 1217 CG ASN A 86 3.812 -16.838 -0.949 1.00 2.40 C ATOM 1218 OD1 ASN A 86 4.397 -16.788 0.133 1.00 3.05 O ATOM 1219 ND2 ASN A 86 4.228 -17.603 -1.947 1.00 2.73 N ATOM 0 H ASN A 86 0.721 -13.856 0.222 1.00 1.23 H new ATOM 0 HA ASN A 86 2.572 -14.994 0.671 1.00 1.36 H new ATOM 0 HB2 ASN A 86 1.682 -16.615 -0.946 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.488 -15.780 -2.258 1.00 1.81 H new ATOM 0 HD21 ASN A 86 5.062 -18.179 -1.834 1.00 2.73 H new ATOM 0 HD22 ASN A 86 3.714 -17.616 -2.828 1.00 2.73 H new ATOM 1226 N CYS A 87 4.130 -13.030 0.249 1.00 0.87 N ATOM 1227 CA CYS A 87 5.182 -12.042 0.048 1.00 0.72 C ATOM 1228 C CYS A 87 6.560 -12.686 0.094 1.00 0.83 C ATOM 1229 O CYS A 87 7.569 -12.035 -0.166 1.00 1.10 O ATOM 1230 CB CYS A 87 5.069 -10.956 1.114 1.00 0.90 C ATOM 1231 SG CYS A 87 3.417 -10.189 1.197 1.00 1.71 S ATOM 0 H CYS A 87 3.726 -13.026 1.185 1.00 0.87 H new ATOM 0 HA CYS A 87 5.057 -11.598 -0.940 1.00 0.72 H new ATOM 0 HB2 CYS A 87 5.311 -11.385 2.086 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.811 -10.183 0.914 1.00 0.90 H new ATOM 1236 N ASN A 88 6.588 -13.974 0.407 1.00 0.91 N ATOM 1237 CA ASN A 88 7.838 -14.712 0.512 1.00 1.09 C ATOM 1238 C ASN A 88 8.487 -14.886 -0.858 1.00 1.10 C ATOM 1239 O ASN A 88 9.710 -14.862 -0.985 1.00 1.24 O ATOM 1240 CB ASN A 88 7.584 -16.084 1.144 1.00 1.38 C ATOM 1241 CG ASN A 88 8.854 -16.896 1.321 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.920 -16.357 1.617 1.00 2.76 O ATOM 1243 ND2 ASN A 88 8.749 -18.202 1.132 1.00 2.55 N ATOM 0 H ASN A 88 5.754 -14.531 0.593 1.00 0.91 H new ATOM 0 HA ASN A 88 8.518 -14.142 1.145 1.00 1.09 H new ATOM 0 HB2 ASN A 88 7.107 -15.949 2.115 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.886 -16.642 0.520 1.00 1.38 H new ATOM 0 HD21 ASN A 88 9.570 -18.799 1.231 1.00 2.55 H new ATOM 0 HD22 ASN A 88 7.847 -18.611 0.888 1.00 2.55 H new ATOM 1250 N SER A 89 7.664 -15.032 -1.891 1.00 1.12 N ATOM 1251 CA SER A 89 8.176 -15.354 -3.214 1.00 1.29 C ATOM 1252 C SER A 89 7.606 -14.416 -4.280 1.00 1.42 C ATOM 1253 O SER A 89 7.505 -14.783 -5.450 1.00 2.21 O ATOM 1254 CB SER A 89 7.842 -16.811 -3.546 1.00 1.53 C ATOM 1255 OG SER A 89 8.580 -17.274 -4.666 1.00 2.11 O ATOM 0 H SER A 89 6.650 -14.933 -1.837 1.00 1.12 H new ATOM 0 HA SER A 89 9.258 -15.220 -3.209 1.00 1.29 H new ATOM 0 HB2 SER A 89 8.057 -17.440 -2.682 1.00 1.53 H new ATOM 0 HB3 SER A 89 6.775 -16.903 -3.749 1.00 1.53 H new ATOM 0 HG SER A 89 8.543 -16.605 -5.381 1.00 2.11 H new ATOM 1261 N ILE A 90 7.254 -13.197 -3.881 1.00 1.14 N ATOM 1262 CA ILE A 90 6.768 -12.202 -4.840 1.00 1.35 C ATOM 1263 C ILE A 90 7.849 -11.860 -5.855 1.00 1.76 C ATOM 1264 O ILE A 90 7.559 -11.538 -7.009 1.00 2.17 O ATOM 1265 CB ILE A 90 6.323 -10.887 -4.165 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.475 -10.292 -3.348 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.092 -11.109 -3.302 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.158 -8.944 -2.735 1.00 0.97 C ATOM 0 H ILE A 90 7.294 -12.874 -2.914 1.00 1.14 H new ATOM 0 HA ILE A 90 5.905 -12.657 -5.326 1.00 1.35 H new ATOM 0 HB ILE A 90 6.054 -10.172 -4.943 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.742 -10.988 -2.553 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.350 -10.192 -3.991 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.799 -10.168 -2.838 1.00 1.14 H new ATOM 0 HG22 ILE A 90 4.275 -11.478 -3.922 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.318 -11.841 -2.527 1.00 1.14 H new ATOM 0 HD11 ILE A 90 8.021 -8.588 -2.173 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.921 -8.232 -3.525 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.303 -9.041 -2.065 1.00 0.97 H new ATOM 1280 N ASN A 91 9.097 -11.928 -5.415 1.00 2.27 N ATOM 1281 CA ASN A 91 10.217 -11.530 -6.242 1.00 2.91 C ATOM 1282 C ASN A 91 11.088 -12.733 -6.570 1.00 3.60 C ATOM 1283 O ASN A 91 10.948 -13.284 -7.679 1.00 4.24 O ATOM 1284 CB ASN A 91 11.052 -10.463 -5.540 1.00 3.41 C ATOM 1285 CG ASN A 91 12.079 -9.839 -6.463 1.00 4.21 C ATOM 1286 OD1 ASN A 91 13.173 -9.480 -6.037 1.00 4.78 O ATOM 1287 ND2 ASN A 91 11.726 -9.677 -7.732 1.00 4.68 N ATOM 1288 OXT ASN A 91 11.897 -13.134 -5.711 1.00 3.95 O ATOM 0 H ASN A 91 9.356 -12.257 -4.485 1.00 2.27 H new ATOM 0 HA ASN A 91 9.823 -11.113 -7.169 1.00 2.91 H new ATOM 0 HB2 ASN A 91 10.393 -9.685 -5.154 1.00 3.41 H new ATOM 0 HB3 ASN A 91 11.559 -10.907 -4.683 1.00 3.41 H new ATOM 0 HD21 ASN A 91 12.373 -9.241 -8.390 1.00 4.68 H new ATOM 0 HD22 ASN A 91 10.808 -9.988 -8.050 1.00 4.68 H new TER 1295 ASN A 91