USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 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 76 ASN : amide:sc= 1.05 K(o=3.5,f=-5.6!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -167:sc= 2.46 (180deg=1.03) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.57 K(o=1.4,f=-0.63) USER MOD Set 2.2: A 37 SER OG : rot -116:sc= 0.792 USER MOD Single : A 1 MET CE :methyl -130:sc= -4.44! (180deg=-7.95!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 1.25 (180deg=0.764) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 5 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.4!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -7.78! C(o=-7.8!,f=-11!) USER MOD Single : A 12 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.037) USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00763 F(o=-1,f=-0.0076) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.9!) USER MOD Single : A 38 SER OG : rot -116:sc= 1.04 USER MOD Single : A 40 THR OG1 : rot -65:sc= 1.17 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -7:sc= 1.39 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.886) USER MOD Single : A 62 ASN : amide:sc= 0.148 K(o=0.15,f=-1.2!) USER MOD Single : A 64 ASN : amide:sc=-0.00181 X(o=-0.0018,f=-0.3) USER MOD Single : A 65 ASN : amide:sc= 1.12 K(o=1.1,f=-0.4) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.451 (180deg=-1.46!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -80:sc= 0.311 USER MOD Single : A 86 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.4!) USER MOD Single : A 88 ASN : amide:sc= 0.899 K(o=0.9,f=-4.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.137 F(o=-1.5!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.396 -0.837 5.033 1.00 1.70 N ATOM 2 CA MET A 1 11.919 -0.865 5.098 1.00 1.61 C ATOM 3 C MET A 1 11.443 -1.103 6.503 1.00 0.88 C ATOM 4 O MET A 1 11.948 -1.965 7.222 1.00 1.16 O ATOM 5 CB MET A 1 11.358 -1.944 4.160 1.00 2.50 C ATOM 6 CG MET A 1 9.835 -2.057 4.165 1.00 2.77 C ATOM 7 SD MET A 1 9.198 -2.978 5.583 1.00 2.91 S ATOM 8 CE MET A 1 7.443 -2.668 5.443 1.00 2.61 C ATOM 0 H1 MET A 1 13.720 -1.429 4.242 1.00 1.70 H new ATOM 0 H2 MET A 1 13.719 0.141 4.888 1.00 1.70 H new ATOM 0 H3 MET A 1 13.790 -1.203 5.923 1.00 1.70 H new ATOM 0 HA MET A 1 11.553 0.109 4.774 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.691 -1.733 3.144 1.00 2.50 H new ATOM 0 HB3 MET A 1 11.782 -2.908 4.441 1.00 2.50 H new ATOM 0 HG2 MET A 1 9.402 -1.057 4.165 1.00 2.77 H new ATOM 0 HG3 MET A 1 9.510 -2.545 3.246 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.055 -2.330 6.404 1.00 2.61 H new ATOM 0 HE2 MET A 1 7.268 -1.899 4.691 1.00 2.61 H new ATOM 0 HE3 MET A 1 6.934 -3.586 5.148 1.00 2.61 H new ATOM 20 N THR A 2 10.469 -0.312 6.882 1.00 0.65 N ATOM 21 CA THR A 2 9.757 -0.513 8.111 1.00 1.13 C ATOM 22 C THR A 2 8.278 -0.380 7.826 1.00 1.10 C ATOM 23 O THR A 2 7.893 0.159 6.787 1.00 1.86 O ATOM 24 CB THR A 2 10.212 0.494 9.198 1.00 1.75 C ATOM 25 OG1 THR A 2 9.401 0.370 10.375 1.00 2.36 O ATOM 26 CG2 THR A 2 10.148 1.927 8.679 1.00 2.63 C ATOM 0 H THR A 2 10.150 0.492 6.341 1.00 0.65 H new ATOM 0 HA THR A 2 9.970 -1.508 8.501 1.00 1.13 H new ATOM 0 HB THR A 2 11.246 0.261 9.452 1.00 1.75 H new ATOM 0 HG1 THR A 2 9.704 1.012 11.050 1.00 2.36 H new ATOM 0 HG21 THR A 2 10.473 2.612 9.462 1.00 2.63 H new ATOM 0 HG22 THR A 2 10.802 2.030 7.813 1.00 2.63 H new ATOM 0 HG23 THR A 2 9.124 2.164 8.391 1.00 2.63 H new ATOM 34 N CYS A 3 7.441 -0.863 8.726 1.00 0.81 N ATOM 35 CA CYS A 3 6.004 -0.720 8.558 1.00 0.69 C ATOM 36 C CYS A 3 5.634 0.756 8.729 1.00 0.65 C ATOM 37 O CYS A 3 4.470 1.143 8.655 1.00 0.79 O ATOM 38 CB CYS A 3 5.258 -1.612 9.557 1.00 0.76 C ATOM 39 SG CYS A 3 3.596 -2.152 9.019 1.00 0.70 S ATOM 0 H CYS A 3 7.726 -1.353 9.574 1.00 0.81 H new ATOM 0 HA CYS A 3 5.708 -1.042 7.560 1.00 0.69 H new ATOM 0 HB2 CYS A 3 5.864 -2.496 9.755 1.00 0.76 H new ATOM 0 HB3 CYS A 3 5.161 -1.074 10.500 1.00 0.76 H new ATOM 44 N GLY A 4 6.664 1.582 8.912 1.00 0.57 N ATOM 45 CA GLY A 4 6.479 3.011 8.995 1.00 0.56 C ATOM 46 C GLY A 4 6.723 3.640 7.646 1.00 0.51 C ATOM 47 O GLY A 4 6.282 4.756 7.369 1.00 0.53 O ATOM 0 H GLY A 4 7.632 1.275 9.004 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.468 3.236 9.333 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.163 3.433 9.732 1.00 0.56 H new ATOM 51 N GLN A 5 7.426 2.896 6.797 1.00 0.52 N ATOM 52 CA GLN A 5 7.637 3.289 5.418 1.00 0.51 C ATOM 53 C GLN A 5 6.319 3.169 4.676 1.00 0.46 C ATOM 54 O GLN A 5 5.905 4.078 3.958 1.00 0.52 O ATOM 55 CB GLN A 5 8.690 2.397 4.756 1.00 0.60 C ATOM 56 CG GLN A 5 9.051 2.825 3.344 1.00 0.62 C ATOM 57 CD GLN A 5 9.838 1.770 2.599 1.00 0.81 C ATOM 58 OE1 GLN A 5 10.582 1.000 3.195 1.00 1.25 O ATOM 59 NE2 GLN A 5 9.679 1.726 1.287 1.00 0.96 N ATOM 0 H GLN A 5 7.861 2.009 7.049 1.00 0.52 H new ATOM 0 HA GLN A 5 7.997 4.317 5.385 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.592 2.398 5.368 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.322 1.371 4.733 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.138 3.049 2.792 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.633 3.746 3.385 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.050 2.384 0.827 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.185 1.034 0.735 1.00 0.96 H new ATOM 68 N VAL A 6 5.647 2.038 4.881 1.00 0.43 N ATOM 69 CA VAL A 6 4.318 1.826 4.311 1.00 0.44 C ATOM 70 C VAL A 6 3.314 2.757 4.970 1.00 0.44 C ATOM 71 O VAL A 6 2.324 3.155 4.364 1.00 0.49 O ATOM 72 CB VAL A 6 3.853 0.368 4.490 1.00 0.49 C ATOM 73 CG1 VAL A 6 2.431 0.166 3.990 1.00 1.02 C ATOM 74 CG2 VAL A 6 4.793 -0.560 3.767 1.00 1.12 C ATOM 0 H VAL A 6 5.999 1.257 5.435 1.00 0.43 H new ATOM 0 HA VAL A 6 4.378 2.040 3.244 1.00 0.44 H new ATOM 0 HB VAL A 6 3.863 0.141 5.556 1.00 0.49 H new ATOM 0 HG11 VAL A 6 2.139 -0.874 4.133 1.00 1.02 H new ATOM 0 HG12 VAL A 6 1.754 0.813 4.548 1.00 1.02 H new ATOM 0 HG13 VAL A 6 2.379 0.415 2.930 1.00 1.02 H new ATOM 0 HG21 VAL A 6 4.459 -1.590 3.897 1.00 1.12 H new ATOM 0 HG22 VAL A 6 4.803 -0.313 2.705 1.00 1.12 H new ATOM 0 HG23 VAL A 6 5.798 -0.450 4.175 1.00 1.12 H new ATOM 84 N GLN A 7 3.578 3.118 6.215 1.00 0.47 N ATOM 85 CA GLN A 7 2.729 4.071 6.902 1.00 0.54 C ATOM 86 C GLN A 7 2.947 5.465 6.317 1.00 0.58 C ATOM 87 O GLN A 7 2.211 6.393 6.620 1.00 0.70 O ATOM 88 CB GLN A 7 2.994 4.061 8.405 1.00 0.66 C ATOM 89 CG GLN A 7 1.825 4.587 9.222 1.00 0.98 C ATOM 90 CD GLN A 7 2.046 4.446 10.713 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.589 5.340 11.360 1.00 1.97 O ATOM 92 NE2 GLN A 7 1.621 3.323 11.269 1.00 1.69 N ATOM 0 H GLN A 7 4.364 2.769 6.763 1.00 0.47 H new ATOM 0 HA GLN A 7 1.688 3.784 6.754 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.221 3.043 8.721 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.877 4.664 8.616 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.661 5.637 8.981 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.919 4.050 8.940 1.00 0.98 H new ATOM 0 HE21 GLN A 7 1.176 2.607 10.695 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.739 3.174 12.271 1.00 1.69 H new ATOM 101 N GLY A 8 3.974 5.604 5.482 1.00 0.60 N ATOM 102 CA GLY A 8 4.134 6.812 4.694 1.00 0.70 C ATOM 103 C GLY A 8 3.133 6.836 3.555 1.00 0.66 C ATOM 104 O GLY A 8 2.600 7.886 3.201 1.00 0.82 O ATOM 0 H GLY A 8 4.698 4.900 5.338 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.995 7.688 5.327 1.00 0.70 H new ATOM 0 HA3 GLY A 8 5.148 6.863 4.297 1.00 0.70 H new ATOM 108 N ASN A 9 2.904 5.659 2.980 1.00 0.58 N ATOM 109 CA ASN A 9 1.809 5.437 2.039 1.00 0.63 C ATOM 110 C ASN A 9 0.483 5.706 2.753 1.00 0.62 C ATOM 111 O ASN A 9 -0.272 6.614 2.396 1.00 0.78 O ATOM 112 CB ASN A 9 1.869 3.974 1.531 1.00 0.75 C ATOM 113 CG ASN A 9 0.695 3.545 0.656 1.00 1.30 C ATOM 114 OD1 ASN A 9 -0.422 4.034 0.783 1.00 1.86 O ATOM 115 ND2 ASN A 9 0.944 2.593 -0.230 1.00 1.86 N ATOM 0 H ASN A 9 3.473 4.830 3.153 1.00 0.58 H new ATOM 0 HA ASN A 9 1.895 6.109 1.185 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.791 3.839 0.966 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.923 3.308 2.392 1.00 0.75 H new ATOM 0 HD21 ASN A 9 0.196 2.247 -0.830 1.00 1.86 H new ATOM 0 HD22 ASN A 9 1.884 2.206 -0.312 1.00 1.86 H new ATOM 122 N LEU A 10 0.258 4.934 3.805 1.00 0.56 N ATOM 123 CA LEU A 10 -1.002 4.929 4.535 1.00 0.66 C ATOM 124 C LEU A 10 -1.370 6.294 5.117 1.00 0.65 C ATOM 125 O LEU A 10 -2.509 6.731 4.983 1.00 0.72 O ATOM 126 CB LEU A 10 -0.936 3.884 5.648 1.00 0.89 C ATOM 127 CG LEU A 10 -1.553 2.525 5.310 1.00 1.00 C ATOM 128 CD1 LEU A 10 -0.862 1.897 4.108 1.00 1.45 C ATOM 129 CD2 LEU A 10 -1.476 1.603 6.514 1.00 1.73 C ATOM 0 H LEU A 10 0.951 4.287 4.180 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.787 4.679 3.821 1.00 0.66 H new ATOM 0 HB2 LEU A 10 0.109 3.732 5.919 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -1.439 4.284 6.529 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.601 2.677 5.051 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -1.319 0.932 3.889 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -0.967 2.553 3.244 1.00 1.45 H new ATOM 0 HD13 LEU A 10 0.196 1.755 4.329 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -1.918 0.639 6.263 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -0.433 1.461 6.798 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -2.022 2.046 7.347 1.00 1.73 H new ATOM 141 N ALA A 11 -0.415 6.970 5.750 1.00 0.62 N ATOM 142 CA ALA A 11 -0.701 8.228 6.449 1.00 0.69 C ATOM 143 C ALA A 11 -1.264 9.293 5.513 1.00 0.63 C ATOM 144 O ALA A 11 -2.020 10.166 5.934 1.00 0.72 O ATOM 145 CB ALA A 11 0.544 8.757 7.139 1.00 0.77 C ATOM 0 H ALA A 11 0.560 6.673 5.796 1.00 0.62 H new ATOM 0 HA ALA A 11 -1.461 8.005 7.197 1.00 0.69 H new ATOM 0 HB1 ALA A 11 0.308 9.690 7.650 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.897 8.024 7.865 1.00 0.77 H new ATOM 0 HB3 ALA A 11 1.322 8.937 6.397 1.00 0.77 H new ATOM 151 N GLN A 12 -0.897 9.218 4.245 1.00 0.56 N ATOM 152 CA GLN A 12 -1.365 10.183 3.265 1.00 0.53 C ATOM 153 C GLN A 12 -2.750 9.807 2.756 1.00 0.52 C ATOM 154 O GLN A 12 -3.607 10.664 2.535 1.00 0.60 O ATOM 155 CB GLN A 12 -0.390 10.254 2.094 1.00 0.56 C ATOM 156 CG GLN A 12 1.014 10.670 2.492 1.00 0.52 C ATOM 157 CD GLN A 12 1.073 12.081 3.036 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.265 13.040 2.288 1.00 2.18 O ATOM 159 NE2 GLN A 12 0.916 12.218 4.343 1.00 1.88 N ATOM 0 H GLN A 12 -0.277 8.500 3.870 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.423 11.159 3.747 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.347 9.279 1.610 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -0.773 10.959 1.356 1.00 0.56 H new ATOM 0 HG2 GLN A 12 1.394 9.979 3.244 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.671 10.591 1.626 1.00 0.52 H new ATOM 0 HE21 GLN A 12 0.759 11.396 4.927 1.00 1.88 H new ATOM 0 HE22 GLN A 12 0.952 13.145 4.767 1.00 1.88 H new ATOM 168 N CYS A 13 -2.955 8.515 2.580 1.00 0.52 N ATOM 169 CA CYS A 13 -4.182 7.993 1.994 1.00 0.56 C ATOM 170 C CYS A 13 -5.278 7.846 3.028 1.00 0.53 C ATOM 171 O CYS A 13 -6.451 7.829 2.676 1.00 0.56 O ATOM 172 CB CYS A 13 -3.886 6.656 1.325 1.00 0.69 C ATOM 173 SG CYS A 13 -2.584 6.771 0.063 1.00 1.23 S ATOM 0 H CYS A 13 -2.279 7.796 2.838 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.542 8.703 1.249 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.586 5.934 2.084 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -4.798 6.275 0.865 1.00 0.69 H new ATOM 178 N ILE A 14 -4.891 7.768 4.298 1.00 0.58 N ATOM 179 CA ILE A 14 -5.839 7.682 5.409 1.00 0.67 C ATOM 180 C ILE A 14 -6.977 8.700 5.259 1.00 0.67 C ATOM 181 O ILE A 14 -8.124 8.413 5.603 1.00 0.77 O ATOM 182 CB ILE A 14 -5.113 7.891 6.765 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.648 6.541 7.334 1.00 0.98 C ATOM 184 CG2 ILE A 14 -5.994 8.631 7.766 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.841 6.665 8.611 1.00 1.11 C ATOM 0 H ILE A 14 -3.913 7.762 4.588 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.275 6.683 5.390 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.237 8.514 6.585 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.521 5.917 7.525 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.047 6.027 6.583 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -5.452 8.759 8.703 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -6.259 9.609 7.364 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -6.901 8.055 7.947 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.548 5.673 8.954 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -2.949 7.262 8.421 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.445 7.150 9.378 1.00 1.11 H new ATOM 197 N GLY A 15 -6.662 9.870 4.698 1.00 0.66 N ATOM 198 CA GLY A 15 -7.655 10.918 4.538 1.00 0.76 C ATOM 199 C GLY A 15 -8.577 10.705 3.368 1.00 0.86 C ATOM 200 O GLY A 15 -9.094 11.652 2.776 1.00 1.45 O ATOM 0 H GLY A 15 -5.733 10.108 4.351 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.249 10.986 5.449 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.145 11.874 4.418 1.00 0.76 H new ATOM 204 N PHE A 16 -8.751 9.452 3.041 1.00 0.61 N ATOM 205 CA PHE A 16 -9.760 8.998 2.111 1.00 0.60 C ATOM 206 C PHE A 16 -10.027 7.533 2.403 1.00 0.60 C ATOM 207 O PHE A 16 -11.163 7.072 2.431 1.00 0.69 O ATOM 208 CB PHE A 16 -9.230 9.199 0.703 1.00 0.59 C ATOM 209 CG PHE A 16 -9.745 8.207 -0.313 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.935 8.440 -0.982 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.040 7.044 -0.597 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.414 7.540 -1.913 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.516 6.140 -1.528 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.704 6.387 -2.186 1.00 0.91 C ATOM 0 H PHE A 16 -8.182 8.696 3.422 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.693 9.553 2.209 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.489 10.205 0.372 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.142 9.142 0.727 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.496 9.339 -0.772 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.110 6.844 -0.085 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.343 7.737 -2.427 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.958 5.240 -1.741 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.077 5.681 -2.912 1.00 0.91 H new ATOM 224 N LEU A 17 -8.925 6.840 2.625 1.00 0.56 N ATOM 225 CA LEU A 17 -8.882 5.462 3.077 1.00 0.67 C ATOM 226 C LEU A 17 -9.861 5.222 4.225 1.00 0.79 C ATOM 227 O LEU A 17 -10.754 4.379 4.127 1.00 0.87 O ATOM 228 CB LEU A 17 -7.452 5.221 3.553 1.00 0.74 C ATOM 229 CG LEU A 17 -7.042 3.799 3.858 1.00 0.79 C ATOM 230 CD1 LEU A 17 -6.998 2.977 2.580 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.686 3.794 4.545 1.00 1.43 C ATOM 0 H LEU A 17 -7.996 7.239 2.489 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.167 4.783 2.273 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -6.776 5.609 2.791 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.294 5.816 4.453 1.00 0.74 H new ATOM 0 HG LEU A 17 -7.777 3.350 4.526 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.701 1.955 2.815 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -7.985 2.971 2.117 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.276 3.415 1.890 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.393 2.767 4.764 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -4.945 4.251 3.890 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.747 4.360 5.475 1.00 1.43 H new ATOM 243 N GLN A 18 -9.709 5.993 5.295 1.00 0.87 N ATOM 244 CA GLN A 18 -10.468 5.779 6.504 1.00 1.07 C ATOM 245 C GLN A 18 -11.825 6.469 6.437 1.00 1.09 C ATOM 246 O GLN A 18 -12.854 5.873 6.756 1.00 1.20 O ATOM 247 CB GLN A 18 -9.676 6.297 7.701 1.00 1.25 C ATOM 248 CG GLN A 18 -10.448 6.208 8.992 1.00 1.08 C ATOM 249 CD GLN A 18 -9.707 6.795 10.179 1.00 1.33 C ATOM 250 OE1 GLN A 18 -8.949 7.855 9.948 1.00 1.73 O flip ATOM 251 NE2 GLN A 18 -9.838 6.317 11.302 1.00 2.00 N flip ATOM 0 H GLN A 18 -9.058 6.777 5.342 1.00 0.87 H new ATOM 0 HA GLN A 18 -10.644 4.709 6.614 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -8.752 5.726 7.795 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -9.393 7.334 7.523 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -11.399 6.727 8.874 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -10.678 5.163 9.198 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -10.431 5.499 11.442 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.354 6.738 12.095 1.00 2.00 H new ATOM 260 N LYS A 19 -11.818 7.726 6.026 1.00 1.06 N ATOM 261 CA LYS A 19 -13.033 8.524 5.990 1.00 1.21 C ATOM 262 C LYS A 19 -13.807 8.282 4.694 1.00 1.34 C ATOM 263 O LYS A 19 -14.781 7.527 4.675 1.00 2.08 O ATOM 264 CB LYS A 19 -12.685 10.000 6.144 1.00 1.41 C ATOM 265 CG LYS A 19 -13.880 10.867 6.486 1.00 1.98 C ATOM 266 CD LYS A 19 -13.492 12.328 6.580 1.00 2.69 C ATOM 267 CE LYS A 19 -12.399 12.552 7.613 1.00 3.29 C ATOM 268 NZ LYS A 19 -11.967 13.971 7.677 1.00 4.09 N ATOM 0 H LYS A 19 -10.981 8.218 5.711 1.00 1.06 H new ATOM 0 HA LYS A 19 -13.674 8.224 6.819 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -11.931 10.109 6.924 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -12.238 10.359 5.217 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -14.652 10.742 5.727 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -14.309 10.541 7.433 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.150 12.677 5.606 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -14.368 12.921 6.842 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -12.759 12.239 8.593 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -11.541 11.924 7.373 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -11.221 14.075 8.394 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -11.598 14.264 6.750 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -12.778 14.570 7.932 1.00 4.09 H new ATOM 282 N GLY A 20 -13.364 8.909 3.613 1.00 1.18 N ATOM 283 CA GLY A 20 -14.026 8.745 2.337 1.00 1.47 C ATOM 284 C GLY A 20 -14.130 10.053 1.585 1.00 1.29 C ATOM 285 O GLY A 20 -14.460 11.086 2.169 1.00 1.99 O ATOM 0 H GLY A 20 -12.555 9.530 3.599 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.478 8.022 1.734 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -15.024 8.337 2.495 1.00 1.47 H new ATOM 289 N GLY A 21 -13.843 10.019 0.294 1.00 1.10 N ATOM 290 CA GLY A 21 -13.910 11.221 -0.506 1.00 1.37 C ATOM 291 C GLY A 21 -13.129 11.097 -1.789 1.00 1.26 C ATOM 292 O GLY A 21 -13.524 10.369 -2.701 1.00 1.79 O ATOM 0 H GLY A 21 -13.565 9.179 -0.214 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.952 11.444 -0.737 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -13.525 12.061 0.072 1.00 1.37 H new ATOM 296 N VAL A 22 -12.006 11.795 -1.847 1.00 1.14 N ATOM 297 CA VAL A 22 -11.187 11.829 -3.048 1.00 1.00 C ATOM 298 C VAL A 22 -9.750 11.434 -2.730 1.00 0.82 C ATOM 299 O VAL A 22 -9.306 11.546 -1.584 1.00 0.87 O ATOM 300 CB VAL A 22 -11.205 13.227 -3.698 1.00 1.11 C ATOM 301 CG1 VAL A 22 -12.621 13.607 -4.100 1.00 1.92 C ATOM 302 CG2 VAL A 22 -10.614 14.275 -2.766 1.00 1.28 C ATOM 0 H VAL A 22 -11.640 12.348 -1.072 1.00 1.14 H new ATOM 0 HA VAL A 22 -11.610 11.112 -3.752 1.00 1.00 H new ATOM 0 HB VAL A 22 -10.586 13.190 -4.594 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -12.616 14.596 -4.557 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -13.004 12.879 -4.815 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -13.259 13.619 -3.217 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -10.640 15.250 -3.252 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -11.196 14.313 -1.845 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.582 14.014 -2.533 1.00 1.28 H new ATOM 312 N VAL A 23 -9.029 10.973 -3.740 1.00 0.71 N ATOM 313 CA VAL A 23 -7.655 10.533 -3.552 1.00 0.58 C ATOM 314 C VAL A 23 -6.686 11.647 -3.913 1.00 0.54 C ATOM 315 O VAL A 23 -6.709 12.166 -5.029 1.00 0.58 O ATOM 316 CB VAL A 23 -7.325 9.285 -4.390 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.902 8.809 -4.118 1.00 0.51 C ATOM 318 CG2 VAL A 23 -8.320 8.187 -4.089 1.00 0.69 C ATOM 0 H VAL A 23 -9.372 10.894 -4.697 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.548 10.274 -2.499 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.394 9.546 -5.446 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.692 7.926 -4.722 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -5.198 9.600 -4.376 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.797 8.560 -3.062 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -8.081 7.306 -4.685 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -8.272 7.933 -3.030 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -9.325 8.530 -4.334 1.00 0.69 H new ATOM 328 N PRO A 24 -5.839 12.047 -2.963 1.00 0.54 N ATOM 329 CA PRO A 24 -4.851 13.094 -3.168 1.00 0.58 C ATOM 330 C PRO A 24 -3.580 12.561 -3.826 1.00 0.55 C ATOM 331 O PRO A 24 -3.100 11.476 -3.485 1.00 0.47 O ATOM 332 CB PRO A 24 -4.554 13.590 -1.741 1.00 0.67 C ATOM 333 CG PRO A 24 -5.406 12.757 -0.826 1.00 0.81 C ATOM 334 CD PRO A 24 -5.778 11.532 -1.597 1.00 0.59 C ATOM 0 HA PRO A 24 -5.213 13.876 -3.835 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.497 13.476 -1.501 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.792 14.649 -1.639 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -4.861 12.495 0.081 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -6.295 13.306 -0.516 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.036 10.741 -1.491 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.733 11.119 -1.273 1.00 0.59 H new ATOM 342 N PRO A 25 -3.014 13.320 -4.780 1.00 0.65 N ATOM 343 CA PRO A 25 -1.753 12.961 -5.454 1.00 0.67 C ATOM 344 C PRO A 25 -0.590 12.799 -4.472 1.00 0.66 C ATOM 345 O PRO A 25 0.460 12.258 -4.813 1.00 0.71 O ATOM 346 CB PRO A 25 -1.498 14.148 -6.388 1.00 0.81 C ATOM 347 CG PRO A 25 -2.835 14.768 -6.594 1.00 1.03 C ATOM 348 CD PRO A 25 -3.575 14.577 -5.304 1.00 0.81 C ATOM 0 HA PRO A 25 -1.827 12.002 -5.968 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.798 14.856 -5.944 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -1.064 13.821 -7.333 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -2.742 15.826 -6.839 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -3.363 14.294 -7.422 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -3.411 15.408 -4.618 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.651 14.503 -5.464 1.00 0.81 H new ATOM 356 N SER A 26 -0.804 13.256 -3.249 1.00 0.68 N ATOM 357 CA SER A 26 0.181 13.143 -2.185 1.00 0.73 C ATOM 358 C SER A 26 0.197 11.703 -1.708 1.00 0.65 C ATOM 359 O SER A 26 1.235 11.041 -1.678 1.00 0.68 O ATOM 360 CB SER A 26 -0.203 14.065 -1.031 1.00 0.83 C ATOM 361 OG SER A 26 -0.634 15.329 -1.510 1.00 0.91 O ATOM 0 H SER A 26 -1.668 13.717 -2.965 1.00 0.68 H new ATOM 0 HA SER A 26 1.167 13.430 -2.549 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.997 13.605 -0.443 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.651 14.196 -0.366 1.00 0.83 H new ATOM 0 HG SER A 26 -0.876 15.901 -0.752 1.00 0.91 H new ATOM 367 N CYS A 27 -0.993 11.239 -1.350 1.00 0.58 N ATOM 368 CA CYS A 27 -1.248 9.841 -1.079 1.00 0.55 C ATOM 369 C CYS A 27 -0.735 8.985 -2.230 1.00 0.47 C ATOM 370 O CYS A 27 0.043 8.056 -2.018 1.00 0.48 O ATOM 371 CB CYS A 27 -2.754 9.653 -0.893 1.00 0.57 C ATOM 372 SG CYS A 27 -3.384 8.007 -1.332 1.00 0.74 S ATOM 0 H CYS A 27 -1.814 11.834 -1.240 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.727 9.530 -0.173 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -3.004 9.855 0.149 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.275 10.397 -1.496 1.00 0.57 H new ATOM 377 N CYS A 28 -1.133 9.342 -3.449 1.00 0.42 N ATOM 378 CA CYS A 28 -0.723 8.599 -4.631 1.00 0.40 C ATOM 379 C CYS A 28 0.790 8.511 -4.752 1.00 0.45 C ATOM 380 O CYS A 28 1.331 7.468 -5.126 1.00 0.50 O ATOM 381 CB CYS A 28 -1.325 9.203 -5.900 1.00 0.45 C ATOM 382 SG CYS A 28 -3.055 8.720 -6.169 1.00 1.40 S ATOM 0 H CYS A 28 -1.738 10.140 -3.641 1.00 0.42 H new ATOM 0 HA CYS A 28 -1.105 7.585 -4.515 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -1.262 10.290 -5.843 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.730 8.894 -6.760 1.00 0.45 H new ATOM 387 N THR A 29 1.470 9.598 -4.424 1.00 0.51 N ATOM 388 CA THR A 29 2.920 9.616 -4.441 1.00 0.58 C ATOM 389 C THR A 29 3.481 8.620 -3.429 1.00 0.54 C ATOM 390 O THR A 29 4.382 7.850 -3.745 1.00 0.56 O ATOM 391 CB THR A 29 3.465 11.033 -4.151 1.00 0.72 C ATOM 392 OG1 THR A 29 3.081 11.922 -5.205 1.00 0.79 O ATOM 393 CG2 THR A 29 4.981 11.027 -4.018 1.00 0.77 C ATOM 0 H THR A 29 1.039 10.479 -4.143 1.00 0.51 H new ATOM 0 HA THR A 29 3.244 9.324 -5.440 1.00 0.58 H new ATOM 0 HB THR A 29 3.041 11.372 -3.206 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.117 12.093 -5.154 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.332 12.039 -3.814 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.272 10.370 -3.198 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.426 10.668 -4.946 1.00 0.77 H new ATOM 401 N GLY A 30 2.913 8.611 -2.227 1.00 0.54 N ATOM 402 CA GLY A 30 3.393 7.725 -1.181 1.00 0.57 C ATOM 403 C GLY A 30 3.172 6.263 -1.503 1.00 0.47 C ATOM 404 O GLY A 30 4.033 5.425 -1.225 1.00 0.51 O ATOM 0 H GLY A 30 2.127 9.203 -1.958 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.457 7.901 -1.023 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.887 7.967 -0.246 1.00 0.57 H new ATOM 408 N VAL A 31 2.020 5.949 -2.081 1.00 0.41 N ATOM 409 CA VAL A 31 1.749 4.591 -2.537 1.00 0.44 C ATOM 410 C VAL A 31 2.776 4.206 -3.580 1.00 0.39 C ATOM 411 O VAL A 31 3.328 3.109 -3.551 1.00 0.40 O ATOM 412 CB VAL A 31 0.335 4.452 -3.152 1.00 0.56 C ATOM 413 CG1 VAL A 31 -0.012 2.990 -3.414 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.708 5.096 -2.258 1.00 0.65 C ATOM 0 H VAL A 31 1.262 6.611 -2.245 1.00 0.41 H new ATOM 0 HA VAL A 31 1.804 3.933 -1.670 1.00 0.44 H new ATOM 0 HB VAL A 31 0.337 4.974 -4.109 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -1.011 2.925 -3.846 1.00 0.68 H new ATOM 0 HG12 VAL A 31 0.712 2.563 -4.108 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.014 2.436 -2.476 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.693 4.986 -2.711 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.701 4.610 -1.282 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.480 6.155 -2.138 1.00 0.65 H new ATOM 424 N LYS A 32 3.051 5.134 -4.480 1.00 0.40 N ATOM 425 CA LYS A 32 4.051 4.922 -5.503 1.00 0.46 C ATOM 426 C LYS A 32 5.442 4.793 -4.879 1.00 0.44 C ATOM 427 O LYS A 32 6.290 4.071 -5.398 1.00 0.49 O ATOM 428 CB LYS A 32 4.012 6.052 -6.535 1.00 0.58 C ATOM 429 CG LYS A 32 5.101 5.951 -7.587 1.00 1.05 C ATOM 430 CD LYS A 32 4.700 6.641 -8.878 1.00 1.14 C ATOM 431 CE LYS A 32 3.591 5.878 -9.587 1.00 1.31 C ATOM 432 NZ LYS A 32 3.348 6.401 -10.957 1.00 1.54 N ATOM 0 H LYS A 32 2.592 6.044 -4.520 1.00 0.40 H new ATOM 0 HA LYS A 32 3.827 3.988 -6.018 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.040 6.049 -7.029 1.00 0.58 H new ATOM 0 HB3 LYS A 32 4.104 7.008 -6.019 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.019 6.398 -7.205 1.00 1.05 H new ATOM 0 HG3 LYS A 32 5.317 4.902 -7.787 1.00 1.05 H new ATOM 0 HD2 LYS A 32 4.367 7.656 -8.663 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.566 6.722 -9.534 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.855 4.822 -9.643 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.673 5.947 -9.004 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.586 5.855 -11.407 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.071 7.402 -10.902 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.217 6.312 -11.522 1.00 1.54 H new ATOM 446 N ASN A 33 5.672 5.467 -3.750 1.00 0.41 N ATOM 447 CA ASN A 33 6.940 5.321 -3.040 1.00 0.44 C ATOM 448 C ASN A 33 7.089 3.896 -2.529 1.00 0.39 C ATOM 449 O ASN A 33 8.161 3.308 -2.597 1.00 0.46 O ATOM 450 CB ASN A 33 7.071 6.303 -1.869 1.00 0.52 C ATOM 451 CG ASN A 33 7.494 7.696 -2.300 1.00 1.19 C ATOM 452 OD1 ASN A 33 6.673 8.603 -2.423 1.00 2.11 O ATOM 453 ND2 ASN A 33 8.782 7.870 -2.555 1.00 1.58 N ATOM 0 H ASN A 33 5.008 6.108 -3.315 1.00 0.41 H new ATOM 0 HA ASN A 33 7.734 5.549 -3.751 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.116 6.366 -1.347 1.00 0.52 H new ATOM 0 HB3 ASN A 33 7.798 5.914 -1.157 1.00 0.52 H new ATOM 0 HD21 ASN A 33 9.122 8.780 -2.865 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.434 7.094 -2.442 1.00 1.58 H new ATOM 460 N ILE A 34 6.003 3.333 -2.030 1.00 0.36 N ATOM 461 CA ILE A 34 6.009 1.964 -1.547 1.00 0.40 C ATOM 462 C ILE A 34 6.147 0.952 -2.694 1.00 0.48 C ATOM 463 O ILE A 34 6.391 -0.237 -2.466 1.00 0.57 O ATOM 464 CB ILE A 34 4.741 1.709 -0.689 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.144 1.232 0.699 1.00 0.61 C ATOM 466 CG2 ILE A 34 3.786 0.708 -1.336 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.292 2.014 1.293 1.00 0.58 C ATOM 0 H ILE A 34 5.102 3.805 -1.949 1.00 0.36 H new ATOM 0 HA ILE A 34 6.886 1.820 -0.915 1.00 0.40 H new ATOM 0 HB ILE A 34 4.204 2.655 -0.613 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.283 1.304 1.364 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.420 0.179 0.647 1.00 0.61 H new ATOM 0 HG21 ILE A 34 2.917 0.567 -0.694 1.00 0.65 H new ATOM 0 HG22 ILE A 34 3.463 1.088 -2.305 1.00 0.65 H new ATOM 0 HG23 ILE A 34 4.296 -0.246 -1.471 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.527 1.621 2.282 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.167 1.922 0.649 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.012 3.064 1.377 1.00 0.58 H new ATOM 479 N LEU A 35 6.045 1.446 -3.921 1.00 0.56 N ATOM 480 CA LEU A 35 6.078 0.595 -5.104 1.00 0.79 C ATOM 481 C LEU A 35 7.268 0.928 -6.002 1.00 0.93 C ATOM 482 O LEU A 35 7.437 0.361 -7.082 1.00 1.31 O ATOM 483 CB LEU A 35 4.771 0.774 -5.862 1.00 1.04 C ATOM 484 CG LEU A 35 3.543 0.427 -5.033 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.279 0.881 -5.723 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.509 -1.061 -4.768 1.00 1.93 C ATOM 0 H LEU A 35 5.938 2.440 -4.124 1.00 0.56 H new ATOM 0 HA LEU A 35 6.194 -0.444 -4.794 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.693 1.808 -6.199 1.00 1.04 H new ATOM 0 HB3 LEU A 35 4.788 0.148 -6.754 1.00 1.04 H new ATOM 0 HG LEU A 35 3.604 0.952 -4.080 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.416 0.621 -5.110 1.00 1.36 H new ATOM 0 HD12 LEU A 35 2.310 1.961 -5.866 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.197 0.389 -6.692 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.628 -1.305 -4.174 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.468 -1.598 -5.715 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.406 -1.354 -4.223 1.00 1.93 H new ATOM 498 N ASN A 36 8.087 1.849 -5.539 1.00 0.89 N ATOM 499 CA ASN A 36 9.268 2.277 -6.290 1.00 1.06 C ATOM 500 C ASN A 36 10.457 2.469 -5.351 1.00 1.01 C ATOM 501 O ASN A 36 11.552 1.967 -5.604 1.00 1.13 O ATOM 502 CB ASN A 36 8.966 3.578 -7.055 1.00 1.21 C ATOM 503 CG ASN A 36 10.047 3.964 -8.057 1.00 1.58 C ATOM 504 OD1 ASN A 36 11.232 3.708 -7.854 1.00 2.45 O ATOM 505 ND2 ASN A 36 9.645 4.588 -9.152 1.00 1.81 N ATOM 0 H ASN A 36 7.963 2.322 -4.644 1.00 0.89 H new ATOM 0 HA ASN A 36 9.525 1.501 -7.011 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.018 3.468 -7.581 1.00 1.21 H new ATOM 0 HB3 ASN A 36 8.841 4.390 -6.338 1.00 1.21 H new ATOM 0 HD21 ASN A 36 10.326 4.871 -9.857 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.654 4.786 -9.291 1.00 1.81 H new ATOM 512 N SER A 37 10.225 3.172 -4.252 1.00 0.90 N ATOM 513 CA SER A 37 11.279 3.476 -3.294 1.00 0.98 C ATOM 514 C SER A 37 11.576 2.274 -2.395 1.00 0.84 C ATOM 515 O SER A 37 12.443 2.344 -1.524 1.00 0.94 O ATOM 516 CB SER A 37 10.881 4.686 -2.448 1.00 1.05 C ATOM 517 OG SER A 37 10.452 5.758 -3.272 1.00 1.55 O ATOM 0 H SER A 37 9.310 3.545 -4.000 1.00 0.90 H new ATOM 0 HA SER A 37 12.187 3.709 -3.849 1.00 0.98 H new ATOM 0 HB2 SER A 37 10.082 4.408 -1.761 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.728 5.005 -1.840 1.00 1.05 H new ATOM 0 HG SER A 37 11.066 6.515 -3.169 1.00 1.55 H new ATOM 523 N SER A 38 10.838 1.182 -2.593 1.00 0.67 N ATOM 524 CA SER A 38 11.160 -0.084 -1.958 1.00 0.58 C ATOM 525 C SER A 38 12.539 -0.532 -2.440 1.00 0.67 C ATOM 526 O SER A 38 12.680 -1.097 -3.524 1.00 1.22 O ATOM 527 CB SER A 38 10.090 -1.115 -2.297 1.00 0.54 C ATOM 528 OG SER A 38 9.088 -0.536 -3.125 1.00 1.43 O ATOM 0 H SER A 38 10.012 1.155 -3.191 1.00 0.67 H new ATOM 0 HA SER A 38 11.184 0.025 -0.874 1.00 0.58 H new ATOM 0 HB2 SER A 38 10.544 -1.966 -2.805 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.639 -1.495 -1.380 1.00 0.54 H new ATOM 0 HG SER A 38 8.230 -0.540 -2.651 1.00 1.43 H new ATOM 534 N ARG A 39 13.538 -0.228 -1.625 1.00 0.87 N ATOM 535 CA ARG A 39 14.942 -0.320 -2.008 1.00 1.08 C ATOM 536 C ARG A 39 15.337 -1.704 -2.525 1.00 0.84 C ATOM 537 O ARG A 39 15.574 -1.874 -3.721 1.00 1.22 O ATOM 538 CB ARG A 39 15.796 0.079 -0.804 1.00 1.40 C ATOM 539 CG ARG A 39 17.294 -0.076 -0.998 1.00 1.90 C ATOM 540 CD ARG A 39 18.023 0.165 0.313 1.00 2.25 C ATOM 541 NE ARG A 39 17.392 -0.564 1.412 1.00 2.89 N ATOM 542 CZ ARG A 39 17.651 -0.365 2.701 1.00 3.60 C ATOM 543 NH1 ARG A 39 18.584 0.503 3.077 1.00 3.87 N ATOM 544 NH2 ARG A 39 16.960 -1.034 3.616 1.00 4.47 N ATOM 0 H ARG A 39 13.397 0.093 -0.667 1.00 0.87 H new ATOM 0 HA ARG A 39 15.113 0.361 -2.842 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.583 1.119 -0.556 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.492 -0.522 0.053 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.518 -1.076 -1.368 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.645 0.629 -1.752 1.00 1.90 H new ATOM 0 HD2 ARG A 39 19.063 -0.147 0.216 1.00 2.25 H new ATOM 0 HD3 ARG A 39 18.030 1.232 0.537 1.00 2.25 H new ATOM 0 HE ARG A 39 16.703 -1.277 1.173 1.00 2.89 H new ATOM 0 HH11 ARG A 39 19.109 1.024 2.374 1.00 3.87 H new ATOM 0 HH12 ARG A 39 18.775 0.649 4.068 1.00 3.87 H new ATOM 0 HH21 ARG A 39 16.238 -1.694 3.328 1.00 4.47 H new ATOM 0 HH22 ARG A 39 17.151 -0.888 4.607 1.00 4.47 H new ATOM 558 N THR A 40 15.403 -2.689 -1.642 1.00 0.62 N ATOM 559 CA THR A 40 15.940 -3.988 -2.018 1.00 0.70 C ATOM 560 C THR A 40 14.903 -5.098 -1.924 1.00 0.75 C ATOM 561 O THR A 40 13.732 -4.852 -1.646 1.00 0.61 O ATOM 562 CB THR A 40 17.154 -4.375 -1.144 1.00 0.88 C ATOM 563 OG1 THR A 40 16.760 -4.480 0.230 1.00 1.59 O ATOM 564 CG2 THR A 40 18.277 -3.356 -1.278 1.00 1.25 C ATOM 0 H THR A 40 15.096 -2.616 -0.672 1.00 0.62 H new ATOM 0 HA THR A 40 16.251 -3.886 -3.058 1.00 0.70 H new ATOM 0 HB THR A 40 17.522 -5.340 -1.492 1.00 0.88 H new ATOM 0 HG1 THR A 40 16.482 -3.600 0.559 1.00 1.59 H new ATOM 0 HG21 THR A 40 19.117 -3.656 -0.651 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.600 -3.305 -2.318 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.919 -2.376 -0.961 1.00 1.25 H new ATOM 572 N THR A 41 15.359 -6.325 -2.161 1.00 1.03 N ATOM 573 CA THR A 41 14.533 -7.513 -2.018 1.00 1.16 C ATOM 574 C THR A 41 14.036 -7.644 -0.584 1.00 1.04 C ATOM 575 O THR A 41 12.884 -8.006 -0.336 1.00 0.97 O ATOM 576 CB THR A 41 15.346 -8.766 -2.371 1.00 1.58 C ATOM 577 OG1 THR A 41 16.041 -8.563 -3.609 1.00 1.79 O ATOM 578 CG2 THR A 41 14.458 -9.998 -2.477 1.00 1.73 C ATOM 0 H THR A 41 16.315 -6.520 -2.458 1.00 1.03 H new ATOM 0 HA THR A 41 13.683 -7.419 -2.694 1.00 1.16 H new ATOM 0 HB THR A 41 16.064 -8.936 -1.568 1.00 1.58 H new ATOM 0 HG1 THR A 41 16.559 -9.365 -3.828 1.00 1.79 H new ATOM 0 HG21 THR A 41 15.068 -10.866 -2.728 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.958 -10.169 -1.524 1.00 1.73 H new ATOM 0 HG23 THR A 41 13.711 -9.842 -3.255 1.00 1.73 H new ATOM 586 N ALA A 42 14.919 -7.324 0.360 1.00 1.12 N ATOM 587 CA ALA A 42 14.586 -7.369 1.774 1.00 1.18 C ATOM 588 C ALA A 42 13.607 -6.258 2.120 1.00 0.98 C ATOM 589 O ALA A 42 12.924 -6.309 3.140 1.00 1.13 O ATOM 590 CB ALA A 42 15.846 -7.259 2.618 1.00 1.41 C ATOM 0 H ALA A 42 15.876 -7.029 0.165 1.00 1.12 H new ATOM 0 HA ALA A 42 14.111 -8.326 1.992 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.580 -7.294 3.675 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.514 -8.088 2.384 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.348 -6.316 2.401 1.00 1.41 H new ATOM 596 N ASP A 43 13.542 -5.255 1.251 1.00 0.74 N ATOM 597 CA ASP A 43 12.597 -4.168 1.411 1.00 0.67 C ATOM 598 C ASP A 43 11.276 -4.552 0.765 1.00 0.64 C ATOM 599 O ASP A 43 10.205 -4.253 1.289 1.00 0.93 O ATOM 600 CB ASP A 43 13.154 -2.887 0.781 1.00 0.63 C ATOM 601 CG ASP A 43 14.325 -2.316 1.556 1.00 1.00 C ATOM 602 OD1 ASP A 43 14.101 -1.772 2.654 1.00 1.18 O ATOM 603 OD2 ASP A 43 15.471 -2.416 1.080 1.00 1.72 O ATOM 0 H ASP A 43 14.138 -5.177 0.427 1.00 0.74 H new ATOM 0 HA ASP A 43 12.433 -3.981 2.472 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.468 -3.096 -0.242 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.362 -2.140 0.725 1.00 0.63 H new ATOM 608 N ARG A 44 11.375 -5.242 -0.369 1.00 0.54 N ATOM 609 CA ARG A 44 10.209 -5.703 -1.114 1.00 0.61 C ATOM 610 C ARG A 44 9.420 -6.736 -0.326 1.00 0.67 C ATOM 611 O ARG A 44 8.235 -6.552 -0.072 1.00 0.93 O ATOM 612 CB ARG A 44 10.629 -6.301 -2.457 1.00 0.76 C ATOM 613 CG ARG A 44 11.035 -5.267 -3.490 1.00 1.39 C ATOM 614 CD ARG A 44 11.423 -5.930 -4.800 1.00 1.53 C ATOM 615 NE ARG A 44 11.513 -4.971 -5.898 1.00 1.70 N ATOM 616 CZ ARG A 44 11.414 -5.309 -7.182 1.00 2.01 C ATOM 617 NH1 ARG A 44 11.304 -6.585 -7.530 1.00 2.34 N ATOM 618 NH2 ARG A 44 11.435 -4.367 -8.117 1.00 2.70 N ATOM 0 H ARG A 44 12.266 -5.496 -0.796 1.00 0.54 H new ATOM 0 HA ARG A 44 9.571 -4.836 -1.287 1.00 0.61 H new ATOM 0 HB2 ARG A 44 11.462 -6.985 -2.295 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.804 -6.893 -2.854 1.00 0.76 H new ATOM 0 HG2 ARG A 44 10.211 -4.574 -3.659 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.873 -4.680 -3.113 1.00 1.39 H new ATOM 0 HD2 ARG A 44 12.382 -6.434 -4.680 1.00 1.53 H new ATOM 0 HD3 ARG A 44 10.689 -6.697 -5.049 1.00 1.53 H new ATOM 0 HE ARG A 44 11.660 -3.988 -5.668 1.00 1.70 H new ATOM 0 HH11 ARG A 44 11.295 -7.310 -6.813 1.00 2.34 H new ATOM 0 HH12 ARG A 44 11.228 -6.840 -8.515 1.00 2.34 H new ATOM 0 HH21 ARG A 44 11.527 -3.387 -7.851 1.00 2.70 H new ATOM 0 HH22 ARG A 44 11.359 -4.624 -9.101 1.00 2.70 H new ATOM 632 N ARG A 45 10.091 -7.802 0.090 1.00 0.66 N ATOM 633 CA ARG A 45 9.440 -8.901 0.812 1.00 0.72 C ATOM 634 C ARG A 45 9.248 -8.546 2.274 1.00 0.76 C ATOM 635 O ARG A 45 9.275 -9.396 3.166 1.00 1.28 O ATOM 636 CB ARG A 45 10.258 -10.174 0.649 1.00 0.88 C ATOM 637 CG ARG A 45 10.284 -10.614 -0.794 1.00 1.16 C ATOM 638 CD ARG A 45 11.400 -11.601 -1.087 1.00 1.34 C ATOM 639 NE ARG A 45 11.228 -12.894 -0.427 1.00 1.99 N ATOM 640 CZ ARG A 45 12.235 -13.728 -0.157 1.00 2.61 C ATOM 641 NH1 ARG A 45 13.493 -13.336 -0.328 1.00 2.84 N ATOM 642 NH2 ARG A 45 11.985 -14.941 0.312 1.00 3.54 N ATOM 0 H ARG A 45 11.091 -7.934 -0.059 1.00 0.66 H new ATOM 0 HA ARG A 45 8.450 -9.071 0.389 1.00 0.72 H new ATOM 0 HB2 ARG A 45 11.276 -10.005 1.001 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.834 -10.965 1.267 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.327 -11.069 -1.048 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.401 -9.739 -1.434 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.461 -11.758 -2.164 1.00 1.34 H new ATOM 0 HD3 ARG A 45 12.349 -11.166 -0.774 1.00 1.34 H new ATOM 0 HE ARG A 45 10.285 -13.175 -0.157 1.00 1.99 H new ATOM 0 HH11 ARG A 45 13.692 -12.395 -0.667 1.00 2.84 H new ATOM 0 HH12 ARG A 45 14.259 -13.976 -0.121 1.00 2.84 H new ATOM 0 HH21 ARG A 45 11.022 -15.239 0.467 1.00 3.54 H new ATOM 0 HH22 ARG A 45 12.755 -15.577 0.518 1.00 3.54 H new ATOM 656 N ALA A 46 9.042 -7.271 2.485 1.00 0.51 N ATOM 657 CA ALA A 46 8.735 -6.719 3.788 1.00 0.53 C ATOM 658 C ALA A 46 7.621 -5.690 3.652 1.00 0.44 C ATOM 659 O ALA A 46 6.674 -5.670 4.443 1.00 0.53 O ATOM 660 CB ALA A 46 9.972 -6.091 4.409 1.00 0.64 C ATOM 0 H ALA A 46 9.083 -6.571 1.744 1.00 0.51 H new ATOM 0 HA ALA A 46 8.401 -7.521 4.446 1.00 0.53 H new ATOM 0 HB1 ALA A 46 9.720 -5.682 5.387 1.00 0.64 H new ATOM 0 HB2 ALA A 46 10.748 -6.849 4.521 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.337 -5.291 3.764 1.00 0.64 H new ATOM 666 N VAL A 47 7.736 -4.844 2.626 1.00 0.35 N ATOM 667 CA VAL A 47 6.732 -3.824 2.349 1.00 0.38 C ATOM 668 C VAL A 47 5.380 -4.460 2.038 1.00 0.42 C ATOM 669 O VAL A 47 4.343 -3.981 2.498 1.00 0.50 O ATOM 670 CB VAL A 47 7.161 -2.882 1.190 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.497 -3.648 -0.075 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.079 -1.866 0.895 1.00 0.70 C ATOM 0 H VAL A 47 8.519 -4.849 1.973 1.00 0.35 H new ATOM 0 HA VAL A 47 6.638 -3.218 3.250 1.00 0.38 H new ATOM 0 HB VAL A 47 8.062 -2.367 1.522 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.791 -2.948 -0.857 1.00 0.50 H new ATOM 0 HG12 VAL A 47 8.319 -4.336 0.124 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.623 -4.211 -0.402 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.401 -1.217 0.080 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.163 -2.383 0.607 1.00 0.70 H new ATOM 0 HG23 VAL A 47 5.892 -1.265 1.785 1.00 0.70 H new ATOM 682 N CYS A 48 5.404 -5.555 1.293 1.00 0.44 N ATOM 683 CA CYS A 48 4.185 -6.259 0.927 1.00 0.56 C ATOM 684 C CYS A 48 3.449 -6.761 2.169 1.00 0.59 C ATOM 685 O CYS A 48 2.232 -6.629 2.266 1.00 0.68 O ATOM 686 CB CYS A 48 4.513 -7.415 -0.021 1.00 0.68 C ATOM 687 SG CYS A 48 6.014 -8.340 0.433 1.00 1.78 S ATOM 0 H CYS A 48 6.259 -5.976 0.929 1.00 0.44 H new ATOM 0 HA CYS A 48 3.523 -5.564 0.411 1.00 0.56 H new ATOM 0 HB2 CYS A 48 3.668 -8.103 -0.045 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.632 -7.021 -1.030 1.00 0.68 H new ATOM 692 N SER A 49 4.195 -7.317 3.119 1.00 0.59 N ATOM 693 CA SER A 49 3.619 -7.795 4.373 1.00 0.73 C ATOM 694 C SER A 49 2.921 -6.668 5.137 1.00 0.73 C ATOM 695 O SER A 49 1.765 -6.805 5.532 1.00 0.96 O ATOM 696 CB SER A 49 4.706 -8.416 5.254 1.00 0.84 C ATOM 697 OG SER A 49 5.418 -9.422 4.556 1.00 1.41 O ATOM 0 H SER A 49 5.204 -7.448 3.044 1.00 0.59 H new ATOM 0 HA SER A 49 2.874 -8.551 4.125 1.00 0.73 H new ATOM 0 HB2 SER A 49 5.397 -7.641 5.585 1.00 0.84 H new ATOM 0 HB3 SER A 49 4.253 -8.842 6.149 1.00 0.84 H new ATOM 0 HG SER A 49 4.986 -9.589 3.692 1.00 1.41 H new ATOM 703 N CYS A 50 3.624 -5.557 5.333 1.00 0.57 N ATOM 704 CA CYS A 50 3.075 -4.421 6.074 1.00 0.60 C ATOM 705 C CYS A 50 1.851 -3.854 5.359 1.00 0.55 C ATOM 706 O CYS A 50 0.834 -3.558 5.987 1.00 0.59 O ATOM 707 CB CYS A 50 4.143 -3.335 6.249 1.00 0.63 C ATOM 708 SG CYS A 50 3.550 -1.790 7.020 1.00 1.11 S ATOM 0 H CYS A 50 4.574 -5.417 4.990 1.00 0.57 H new ATOM 0 HA CYS A 50 2.766 -4.768 7.060 1.00 0.60 H new ATOM 0 HB2 CYS A 50 4.954 -3.738 6.855 1.00 0.63 H new ATOM 0 HB3 CYS A 50 4.563 -3.098 5.271 1.00 0.63 H new ATOM 713 N LEU A 51 1.952 -3.731 4.039 1.00 0.51 N ATOM 714 CA LEU A 51 0.865 -3.205 3.224 1.00 0.55 C ATOM 715 C LEU A 51 -0.375 -4.094 3.321 1.00 0.63 C ATOM 716 O LEU A 51 -1.477 -3.603 3.563 1.00 0.63 O ATOM 717 CB LEU A 51 1.331 -3.064 1.767 1.00 0.66 C ATOM 718 CG LEU A 51 0.317 -2.451 0.797 1.00 0.77 C ATOM 719 CD1 LEU A 51 1.035 -1.616 -0.250 1.00 1.33 C ATOM 720 CD2 LEU A 51 -0.506 -3.537 0.119 1.00 1.33 C ATOM 0 H LEU A 51 2.783 -3.991 3.509 1.00 0.51 H new ATOM 0 HA LEU A 51 0.589 -2.220 3.601 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.234 -2.454 1.752 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.608 -4.051 1.397 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.357 -1.810 1.366 1.00 0.77 H new ATOM 0 HD11 LEU A 51 0.305 -1.185 -0.935 1.00 1.33 H new ATOM 0 HD12 LEU A 51 1.590 -0.816 0.240 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.726 -2.248 -0.808 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -1.220 -3.079 -0.566 1.00 1.33 H new ATOM 0 HD22 LEU A 51 0.156 -4.201 -0.437 1.00 1.33 H new ATOM 0 HD23 LEU A 51 -1.044 -4.110 0.874 1.00 1.33 H new ATOM 732 N LYS A 52 -0.192 -5.399 3.155 1.00 0.80 N ATOM 733 CA LYS A 52 -1.318 -6.323 3.146 1.00 0.99 C ATOM 734 C LYS A 52 -1.874 -6.530 4.556 1.00 0.92 C ATOM 735 O LYS A 52 -3.054 -6.828 4.725 1.00 1.02 O ATOM 736 CB LYS A 52 -0.918 -7.663 2.513 1.00 1.32 C ATOM 737 CG LYS A 52 -0.038 -8.542 3.387 1.00 1.40 C ATOM 738 CD LYS A 52 0.475 -9.742 2.611 1.00 1.78 C ATOM 739 CE LYS A 52 1.200 -10.723 3.516 1.00 1.79 C ATOM 740 NZ LYS A 52 0.273 -11.391 4.467 1.00 2.30 N ATOM 0 H LYS A 52 0.719 -5.838 3.026 1.00 0.80 H new ATOM 0 HA LYS A 52 -2.108 -5.882 2.538 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.824 -8.215 2.262 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.395 -7.465 1.577 1.00 1.32 H new ATOM 0 HG2 LYS A 52 0.804 -7.960 3.763 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -0.604 -8.881 4.255 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -0.360 -10.245 2.123 1.00 1.78 H new ATOM 0 HD3 LYS A 52 1.149 -9.406 1.823 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.700 -11.476 2.907 1.00 1.79 H new ATOM 0 HE3 LYS A 52 1.975 -10.197 4.074 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.759 -12.190 4.922 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -0.029 -10.710 5.193 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.560 -11.741 3.952 1.00 2.30 H new ATOM 754 N ALA A 53 -1.030 -6.364 5.573 1.00 0.88 N ATOM 755 CA ALA A 53 -1.488 -6.487 6.952 1.00 0.95 C ATOM 756 C ALA A 53 -2.431 -5.354 7.298 1.00 0.91 C ATOM 757 O ALA A 53 -3.390 -5.549 8.032 1.00 1.10 O ATOM 758 CB ALA A 53 -0.329 -6.503 7.935 1.00 1.06 C ATOM 0 H ALA A 53 -0.039 -6.147 5.469 1.00 0.88 H new ATOM 0 HA ALA A 53 -2.013 -7.439 7.033 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.714 -6.596 8.950 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.323 -7.349 7.715 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.237 -5.576 7.845 1.00 1.06 H new ATOM 764 N ALA A 54 -2.158 -4.177 6.750 1.00 0.79 N ATOM 765 CA ALA A 54 -2.979 -3.000 7.001 1.00 0.87 C ATOM 766 C ALA A 54 -4.432 -3.251 6.607 1.00 0.94 C ATOM 767 O ALA A 54 -5.350 -2.728 7.235 1.00 1.16 O ATOM 768 CB ALA A 54 -2.422 -1.802 6.251 1.00 0.89 C ATOM 0 H ALA A 54 -1.369 -4.012 6.125 1.00 0.79 H new ATOM 0 HA ALA A 54 -2.954 -2.787 8.070 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -3.044 -0.929 6.447 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -1.404 -1.604 6.586 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -2.418 -2.012 5.181 1.00 0.89 H new ATOM 774 N ALA A 55 -4.632 -4.078 5.583 1.00 0.88 N ATOM 775 CA ALA A 55 -5.972 -4.416 5.118 1.00 0.97 C ATOM 776 C ALA A 55 -6.753 -5.187 6.179 1.00 0.96 C ATOM 777 O ALA A 55 -7.980 -5.102 6.245 1.00 1.07 O ATOM 778 CB ALA A 55 -5.899 -5.228 3.835 1.00 1.11 C ATOM 0 H ALA A 55 -3.880 -4.526 5.060 1.00 0.88 H new ATOM 0 HA ALA A 55 -6.499 -3.482 4.921 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -6.907 -5.472 3.501 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -5.393 -4.646 3.065 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -5.345 -6.148 4.018 1.00 1.11 H new ATOM 784 N GLY A 56 -6.041 -5.941 7.005 1.00 0.96 N ATOM 785 CA GLY A 56 -6.689 -6.718 8.042 1.00 1.05 C ATOM 786 C GLY A 56 -6.525 -6.096 9.414 1.00 0.99 C ATOM 787 O GLY A 56 -7.295 -6.381 10.330 1.00 1.08 O ATOM 0 H GLY A 56 -5.025 -6.028 6.975 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -7.750 -6.812 7.813 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -6.274 -7.726 8.051 1.00 1.05 H new ATOM 791 N ALA A 57 -5.506 -5.258 9.558 1.00 0.98 N ATOM 792 CA ALA A 57 -5.226 -4.593 10.823 1.00 1.11 C ATOM 793 C ALA A 57 -6.117 -3.366 10.997 1.00 1.10 C ATOM 794 O ALA A 57 -6.631 -3.102 12.086 1.00 1.53 O ATOM 795 CB ALA A 57 -3.759 -4.193 10.893 1.00 1.34 C ATOM 0 H ALA A 57 -4.856 -5.022 8.808 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.441 -5.290 11.633 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.562 -3.697 11.843 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.135 -5.083 10.812 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.528 -3.512 10.074 1.00 1.34 H new ATOM 801 N VAL A 58 -6.298 -2.625 9.911 1.00 0.89 N ATOM 802 CA VAL A 58 -7.073 -1.394 9.929 1.00 1.10 C ATOM 803 C VAL A 58 -8.423 -1.616 9.272 1.00 1.08 C ATOM 804 O VAL A 58 -8.504 -1.892 8.084 1.00 1.78 O ATOM 805 CB VAL A 58 -6.322 -0.244 9.209 1.00 1.50 C ATOM 806 CG1 VAL A 58 -6.978 1.102 9.487 1.00 1.74 C ATOM 807 CG2 VAL A 58 -4.857 -0.213 9.621 1.00 2.36 C ATOM 0 H VAL A 58 -5.913 -2.861 8.997 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.219 -1.107 10.970 1.00 1.10 H new ATOM 0 HB VAL A 58 -6.377 -0.434 8.137 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -6.429 1.888 8.969 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -8.009 1.085 9.132 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.967 1.298 10.559 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -4.351 0.602 9.103 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -4.785 -0.059 10.698 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -4.385 -1.159 9.357 1.00 2.36 H new ATOM 817 N ARG A 59 -9.489 -1.510 10.052 1.00 0.92 N ATOM 818 CA ARG A 59 -10.834 -1.592 9.497 1.00 1.16 C ATOM 819 C ARG A 59 -11.165 -0.279 8.828 1.00 1.18 C ATOM 820 O ARG A 59 -12.104 -0.160 8.041 1.00 1.83 O ATOM 821 CB ARG A 59 -11.862 -1.933 10.574 1.00 1.63 C ATOM 822 CG ARG A 59 -11.862 -0.974 11.756 1.00 2.16 C ATOM 823 CD ARG A 59 -12.813 -1.443 12.841 1.00 2.64 C ATOM 824 NE ARG A 59 -12.529 -2.815 13.250 1.00 3.01 N ATOM 825 CZ ARG A 59 -12.721 -3.290 14.476 1.00 3.85 C ATOM 826 NH1 ARG A 59 -13.189 -2.506 15.438 1.00 4.30 N ATOM 827 NH2 ARG A 59 -12.438 -4.557 14.731 1.00 4.65 N ATOM 0 H ARG A 59 -9.451 -1.368 11.061 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.869 -2.396 8.761 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -12.855 -1.940 10.125 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -11.670 -2.942 10.938 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -10.854 -0.893 12.162 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -12.151 0.022 11.420 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -12.735 -0.782 13.704 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -13.839 -1.376 12.480 1.00 2.64 H new ATOM 0 HE ARG A 59 -12.158 -3.453 12.546 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -13.405 -1.529 15.240 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -13.333 -2.880 16.376 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -12.077 -5.158 13.990 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -12.581 -4.933 15.668 1.00 4.65 H new ATOM 841 N GLY A 60 -10.336 0.689 9.142 1.00 1.26 N ATOM 842 CA GLY A 60 -10.396 1.978 8.499 1.00 1.50 C ATOM 843 C GLY A 60 -9.568 1.982 7.233 1.00 1.68 C ATOM 844 O GLY A 60 -9.348 3.026 6.629 1.00 2.01 O ATOM 0 H GLY A 60 -9.604 0.605 9.848 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -11.431 2.225 8.263 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -10.032 2.747 9.180 1.00 1.50 H new ATOM 848 N ILE A 61 -9.083 0.800 6.848 1.00 1.67 N ATOM 849 CA ILE A 61 -8.398 0.645 5.577 1.00 1.93 C ATOM 850 C ILE A 61 -9.434 0.687 4.481 1.00 1.67 C ATOM 851 O ILE A 61 -9.148 1.021 3.338 1.00 2.21 O ATOM 852 CB ILE A 61 -7.599 -0.688 5.493 1.00 2.53 C ATOM 853 CG1 ILE A 61 -6.421 -0.539 4.537 1.00 3.45 C ATOM 854 CG2 ILE A 61 -8.487 -1.848 5.047 1.00 2.78 C ATOM 855 CD1 ILE A 61 -5.398 0.460 5.020 1.00 3.54 C ATOM 0 H ILE A 61 -9.154 -0.055 7.399 1.00 1.67 H new ATOM 0 HA ILE A 61 -7.675 1.454 5.471 1.00 1.93 H new ATOM 0 HB ILE A 61 -7.227 -0.913 6.493 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -5.941 -1.509 4.405 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -6.790 -0.230 3.559 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -7.895 -2.762 5.000 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.300 -1.979 5.761 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -8.900 -1.632 4.062 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -4.583 0.524 4.299 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -5.867 1.439 5.125 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -5.005 0.140 5.985 1.00 3.54 H new ATOM 867 N ASN A 62 -10.643 0.369 4.908 1.00 1.52 N ATOM 868 CA ASN A 62 -11.836 0.308 4.051 1.00 1.54 C ATOM 869 C ASN A 62 -11.542 -0.313 2.692 1.00 1.47 C ATOM 870 O ASN A 62 -11.062 0.363 1.789 1.00 1.53 O ATOM 871 CB ASN A 62 -12.445 1.695 3.868 1.00 1.94 C ATOM 872 CG ASN A 62 -13.264 2.127 5.066 1.00 2.79 C ATOM 873 OD1 ASN A 62 -13.900 1.306 5.728 1.00 3.22 O ATOM 874 ND2 ASN A 62 -13.247 3.414 5.361 1.00 3.41 N ATOM 0 H ASN A 62 -10.838 0.139 5.882 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.554 -0.335 4.560 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -11.649 2.419 3.695 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.076 1.698 2.979 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -13.774 3.760 6.163 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -12.707 4.062 4.787 1.00 3.41 H new ATOM 881 N PRO A 63 -11.851 -1.608 2.531 1.00 1.67 N ATOM 882 CA PRO A 63 -11.560 -2.356 1.307 1.00 1.87 C ATOM 883 C PRO A 63 -11.898 -1.585 0.028 1.00 1.64 C ATOM 884 O PRO A 63 -11.153 -1.637 -0.949 1.00 1.59 O ATOM 885 CB PRO A 63 -12.440 -3.597 1.412 1.00 2.43 C ATOM 886 CG PRO A 63 -12.844 -3.724 2.845 1.00 2.38 C ATOM 887 CD PRO A 63 -12.499 -2.441 3.555 1.00 2.01 C ATOM 0 HA PRO A 63 -10.494 -2.571 1.232 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -13.316 -3.504 0.771 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -11.898 -4.484 1.084 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -13.913 -3.923 2.921 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -12.329 -4.565 3.310 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -13.391 -1.957 3.953 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -11.832 -2.622 4.398 1.00 2.01 H new ATOM 895 N ASN A 64 -13.021 -0.867 0.051 1.00 1.59 N ATOM 896 CA ASN A 64 -13.450 -0.047 -1.084 1.00 1.51 C ATOM 897 C ASN A 64 -12.371 0.958 -1.472 1.00 1.16 C ATOM 898 O ASN A 64 -12.086 1.157 -2.649 1.00 1.11 O ATOM 899 CB ASN A 64 -14.742 0.705 -0.738 1.00 1.72 C ATOM 900 CG ASN A 64 -15.881 -0.217 -0.361 1.00 2.37 C ATOM 901 OD1 ASN A 64 -16.015 -0.607 0.797 1.00 3.10 O ATOM 902 ND2 ASN A 64 -16.726 -0.551 -1.323 1.00 2.83 N ATOM 0 H ASN A 64 -13.655 -0.836 0.850 1.00 1.59 H new ATOM 0 HA ASN A 64 -13.629 -0.713 -1.928 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.547 1.389 0.088 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -15.042 1.313 -1.592 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -17.523 -1.153 -1.115 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -16.580 -0.207 -2.272 1.00 2.83 H new ATOM 909 N ASN A 65 -11.757 1.567 -0.470 1.00 0.99 N ATOM 910 CA ASN A 65 -10.770 2.609 -0.690 1.00 0.74 C ATOM 911 C ASN A 65 -9.383 2.007 -0.843 1.00 0.69 C ATOM 912 O ASN A 65 -8.550 2.532 -1.575 1.00 0.60 O ATOM 913 CB ASN A 65 -10.793 3.606 0.464 1.00 0.74 C ATOM 914 CG ASN A 65 -12.169 4.214 0.677 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.941 4.378 -0.269 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.486 4.544 1.916 1.00 1.13 N ATOM 0 H ASN A 65 -11.928 1.354 0.513 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.019 3.134 -1.612 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.474 3.106 1.379 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.074 4.401 0.268 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.399 4.951 2.118 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.818 4.392 2.671 1.00 1.13 H new ATOM 923 N ALA A 66 -9.147 0.896 -0.156 1.00 0.93 N ATOM 924 CA ALA A 66 -7.875 0.187 -0.249 1.00 1.07 C ATOM 925 C ALA A 66 -7.668 -0.379 -1.652 1.00 1.02 C ATOM 926 O ALA A 66 -6.550 -0.406 -2.162 1.00 1.05 O ATOM 927 CB ALA A 66 -7.811 -0.923 0.789 1.00 1.43 C ATOM 0 H ALA A 66 -9.823 0.464 0.475 1.00 0.93 H new ATOM 0 HA ALA A 66 -7.073 0.897 -0.049 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.856 -1.443 0.707 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.907 -0.494 1.787 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.624 -1.628 0.618 1.00 1.43 H new ATOM 933 N GLU A 67 -8.756 -0.826 -2.268 1.00 1.07 N ATOM 934 CA GLU A 67 -8.711 -1.348 -3.628 1.00 1.12 C ATOM 935 C GLU A 67 -8.706 -0.191 -4.627 1.00 0.94 C ATOM 936 O GLU A 67 -8.119 -0.281 -5.708 1.00 1.00 O ATOM 937 CB GLU A 67 -9.918 -2.262 -3.872 1.00 1.50 C ATOM 938 CG GLU A 67 -9.899 -2.974 -5.213 1.00 1.80 C ATOM 939 CD GLU A 67 -11.142 -3.810 -5.435 1.00 2.05 C ATOM 940 OE1 GLU A 67 -11.201 -4.946 -4.917 1.00 2.41 O ATOM 941 OE2 GLU A 67 -12.068 -3.338 -6.135 1.00 2.41 O ATOM 0 H GLU A 67 -9.684 -0.837 -1.845 1.00 1.07 H new ATOM 0 HA GLU A 67 -7.799 -1.929 -3.763 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -9.961 -3.008 -3.078 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -10.829 -1.668 -3.802 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.811 -2.238 -6.012 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -9.018 -3.613 -5.270 1.00 1.80 H new ATOM 948 N ALA A 68 -9.349 0.904 -4.241 1.00 0.86 N ATOM 949 CA ALA A 68 -9.437 2.096 -5.076 1.00 0.92 C ATOM 950 C ALA A 68 -8.102 2.824 -5.146 1.00 0.89 C ATOM 951 O ALA A 68 -7.831 3.553 -6.103 1.00 1.14 O ATOM 952 CB ALA A 68 -10.501 3.035 -4.531 1.00 1.00 C ATOM 0 H ALA A 68 -9.823 0.991 -3.342 1.00 0.86 H new ATOM 0 HA ALA A 68 -9.707 1.779 -6.083 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -10.560 3.923 -5.161 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -11.466 2.528 -4.527 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -10.241 3.328 -3.514 1.00 1.00 H new ATOM 958 N LEU A 69 -7.285 2.615 -4.126 1.00 0.79 N ATOM 959 CA LEU A 69 -6.013 3.308 -3.987 1.00 1.01 C ATOM 960 C LEU A 69 -5.087 3.060 -5.192 1.00 1.08 C ATOM 961 O LEU A 69 -4.750 4.006 -5.909 1.00 1.37 O ATOM 962 CB LEU A 69 -5.343 2.900 -2.669 1.00 1.16 C ATOM 963 CG LEU A 69 -4.061 3.644 -2.338 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.324 5.136 -2.335 1.00 2.29 C ATOM 965 CD2 LEU A 69 -3.515 3.188 -0.992 1.00 1.96 C ATOM 0 H LEU A 69 -7.485 1.960 -3.370 1.00 0.79 H new ATOM 0 HA LEU A 69 -6.208 4.380 -3.965 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -6.053 3.053 -1.856 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.126 1.833 -2.706 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.312 3.422 -3.098 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -3.403 5.667 -2.097 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.678 5.445 -3.319 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -5.081 5.370 -1.587 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.596 3.731 -0.769 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -4.252 3.388 -0.214 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -3.305 2.119 -1.028 1.00 1.96 H new ATOM 977 N PRO A 70 -4.675 1.798 -5.461 1.00 0.88 N ATOM 978 CA PRO A 70 -3.811 1.497 -6.605 1.00 0.91 C ATOM 979 C PRO A 70 -4.500 1.773 -7.940 1.00 1.02 C ATOM 980 O PRO A 70 -3.859 1.777 -8.993 1.00 1.20 O ATOM 981 CB PRO A 70 -3.488 0.008 -6.455 1.00 0.77 C ATOM 982 CG PRO A 70 -4.530 -0.543 -5.546 1.00 0.78 C ATOM 983 CD PRO A 70 -4.980 0.590 -4.670 1.00 0.78 C ATOM 0 HA PRO A 70 -2.921 2.126 -6.610 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -3.506 -0.495 -7.422 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.491 -0.136 -6.039 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.366 -0.947 -6.116 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -4.128 -1.360 -4.947 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -6.044 0.520 -4.443 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.450 0.593 -3.718 1.00 0.78 H new ATOM 991 N GLY A 71 -5.804 2.016 -7.886 1.00 1.06 N ATOM 992 CA GLY A 71 -6.551 2.346 -9.078 1.00 1.36 C ATOM 993 C GLY A 71 -6.308 3.775 -9.519 1.00 1.09 C ATOM 994 O GLY A 71 -5.750 4.015 -10.589 1.00 1.18 O ATOM 0 H GLY A 71 -6.358 1.989 -7.030 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -6.271 1.665 -9.882 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -7.615 2.199 -8.892 1.00 1.36 H new ATOM 998 N LYS A 72 -6.709 4.724 -8.681 1.00 0.90 N ATOM 999 CA LYS A 72 -6.557 6.145 -8.983 1.00 0.78 C ATOM 1000 C LYS A 72 -5.095 6.552 -9.138 1.00 0.73 C ATOM 1001 O LYS A 72 -4.774 7.432 -9.937 1.00 0.99 O ATOM 1002 CB LYS A 72 -7.224 6.997 -7.900 1.00 0.76 C ATOM 1003 CG LYS A 72 -8.623 7.456 -8.273 1.00 1.18 C ATOM 1004 CD LYS A 72 -9.559 6.285 -8.515 1.00 1.40 C ATOM 1005 CE LYS A 72 -10.113 5.721 -7.220 1.00 2.07 C ATOM 1006 NZ LYS A 72 -11.128 4.666 -7.477 1.00 2.61 N ATOM 0 H LYS A 72 -7.146 4.534 -7.779 1.00 0.90 H new ATOM 0 HA LYS A 72 -7.050 6.321 -9.939 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -7.272 6.423 -6.975 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.603 7.871 -7.701 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -9.024 8.082 -7.476 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.575 8.074 -9.170 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -10.383 6.606 -9.152 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.026 5.501 -9.053 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -9.299 5.307 -6.624 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -10.561 6.524 -6.634 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -11.833 4.669 -6.712 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -11.601 4.853 -8.384 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -10.662 3.737 -7.514 1.00 2.61 H new ATOM 1020 N CYS A 73 -4.211 5.910 -8.392 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.800 6.273 -8.417 1.00 0.63 C ATOM 1022 C CYS A 73 -2.058 5.571 -9.553 1.00 0.62 C ATOM 1023 O CYS A 73 -0.858 5.775 -9.741 1.00 0.77 O ATOM 1024 CB CYS A 73 -2.165 5.962 -7.062 1.00 0.72 C ATOM 1025 SG CYS A 73 -3.041 6.750 -5.672 1.00 1.65 S ATOM 0 H CYS A 73 -4.441 5.139 -7.765 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.721 7.344 -8.605 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -2.152 4.883 -6.912 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -1.127 6.296 -7.067 1.00 0.72 H new ATOM 1030 N GLY A 74 -2.781 4.741 -10.308 1.00 0.61 N ATOM 1031 CA GLY A 74 -2.225 4.126 -11.501 1.00 0.67 C ATOM 1032 C GLY A 74 -1.078 3.190 -11.196 1.00 0.66 C ATOM 1033 O GLY A 74 -0.163 3.028 -12.002 1.00 0.96 O ATOM 0 H GLY A 74 -3.748 4.484 -10.110 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -3.010 3.575 -12.020 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.881 4.906 -12.180 1.00 0.67 H new ATOM 1037 N VAL A 75 -1.134 2.558 -10.040 1.00 0.55 N ATOM 1038 CA VAL A 75 -0.063 1.682 -9.607 1.00 0.61 C ATOM 1039 C VAL A 75 -0.524 0.229 -9.567 1.00 0.80 C ATOM 1040 O VAL A 75 -0.750 -0.348 -8.504 1.00 1.70 O ATOM 1041 CB VAL A 75 0.503 2.110 -8.235 1.00 0.63 C ATOM 1042 CG1 VAL A 75 1.399 3.329 -8.389 1.00 1.09 C ATOM 1043 CG2 VAL A 75 -0.615 2.413 -7.250 1.00 0.51 C ATOM 0 H VAL A 75 -1.911 2.635 -9.383 1.00 0.55 H new ATOM 0 HA VAL A 75 0.740 1.767 -10.340 1.00 0.61 H new ATOM 0 HB VAL A 75 1.091 1.280 -7.843 1.00 0.63 H new ATOM 0 HG11 VAL A 75 1.790 3.619 -7.414 1.00 1.09 H new ATOM 0 HG12 VAL A 75 2.227 3.090 -9.056 1.00 1.09 H new ATOM 0 HG13 VAL A 75 0.822 4.154 -8.808 1.00 1.09 H new ATOM 0 HG21 VAL A 75 -0.186 2.711 -6.293 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -1.233 3.222 -7.639 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -1.228 1.523 -7.111 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.698 -0.344 -10.746 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.085 -1.740 -10.859 1.00 0.90 C ATOM 1055 C ASN A 76 0.148 -2.630 -10.906 1.00 0.81 C ATOM 1056 O ASN A 76 0.756 -2.822 -11.960 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.944 -1.975 -12.103 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.439 -3.407 -12.190 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -2.638 -4.068 -11.171 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -2.628 -3.902 -13.402 1.00 2.31 N ATOM 0 H ASN A 76 -0.577 0.136 -11.638 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.676 -1.995 -9.980 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -2.797 -1.297 -12.088 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -1.364 -1.737 -12.995 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -2.950 -4.863 -13.516 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -2.452 -3.322 -14.223 1.00 2.31 H new ATOM 1067 N ILE A 77 0.536 -3.128 -9.746 1.00 0.78 N ATOM 1068 CA ILE A 77 1.663 -4.045 -9.632 1.00 0.91 C ATOM 1069 C ILE A 77 1.158 -5.475 -9.417 1.00 0.85 C ATOM 1070 O ILE A 77 -0.010 -5.668 -9.085 1.00 0.82 O ATOM 1071 CB ILE A 77 2.632 -3.640 -8.484 1.00 1.19 C ATOM 1072 CG1 ILE A 77 2.014 -3.859 -7.089 1.00 1.12 C ATOM 1073 CG2 ILE A 77 3.075 -2.194 -8.649 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.907 -2.892 -6.703 1.00 1.17 C ATOM 0 H ILE A 77 0.083 -2.911 -8.858 1.00 0.78 H new ATOM 0 HA ILE A 77 2.223 -3.994 -10.566 1.00 0.91 H new ATOM 0 HB ILE A 77 3.503 -4.292 -8.554 1.00 1.19 H new ATOM 0 HG12 ILE A 77 1.619 -4.874 -7.042 1.00 1.12 H new ATOM 0 HG13 ILE A 77 2.808 -3.791 -6.345 1.00 1.12 H new ATOM 0 HG21 ILE A 77 3.752 -1.926 -7.838 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.588 -2.077 -9.604 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.203 -1.541 -8.624 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.543 -3.135 -5.705 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.295 -1.873 -6.710 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.088 -2.973 -7.417 1.00 1.17 H new ATOM 1086 N PRO A 78 2.025 -6.491 -9.619 1.00 0.96 N ATOM 1087 CA PRO A 78 1.640 -7.908 -9.497 1.00 1.03 C ATOM 1088 C PRO A 78 0.946 -8.234 -8.175 1.00 0.91 C ATOM 1089 O PRO A 78 -0.187 -8.716 -8.163 1.00 1.28 O ATOM 1090 CB PRO A 78 2.975 -8.649 -9.583 1.00 1.24 C ATOM 1091 CG PRO A 78 3.865 -7.740 -10.355 1.00 1.35 C ATOM 1092 CD PRO A 78 3.442 -6.340 -9.998 1.00 1.15 C ATOM 0 HA PRO A 78 0.920 -8.187 -10.266 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.380 -8.851 -8.591 1.00 1.24 H new ATOM 0 HB3 PRO A 78 2.862 -9.611 -10.083 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.911 -7.908 -10.099 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.767 -7.916 -11.426 1.00 1.35 H new ATOM 0 HD2 PRO A 78 4.036 -5.939 -9.177 1.00 1.15 H new ATOM 0 HD3 PRO A 78 3.561 -5.658 -10.840 1.00 1.15 H new ATOM 1100 N TYR A 79 1.630 -7.972 -7.066 1.00 0.89 N ATOM 1101 CA TYR A 79 1.065 -8.221 -5.745 1.00 0.80 C ATOM 1102 C TYR A 79 0.009 -7.173 -5.420 1.00 0.85 C ATOM 1103 O TYR A 79 0.025 -6.080 -5.984 1.00 1.07 O ATOM 1104 CB TYR A 79 2.159 -8.234 -4.669 1.00 0.91 C ATOM 1105 CG TYR A 79 3.044 -7.007 -4.659 1.00 0.81 C ATOM 1106 CD1 TYR A 79 2.672 -5.856 -3.970 1.00 0.99 C ATOM 1107 CD2 TYR A 79 4.262 -7.004 -5.326 1.00 0.84 C ATOM 1108 CE1 TYR A 79 3.492 -4.742 -3.951 1.00 1.13 C ATOM 1109 CE2 TYR A 79 5.083 -5.896 -5.314 1.00 0.99 C ATOM 1110 CZ TYR A 79 4.695 -4.769 -4.626 1.00 1.10 C ATOM 1111 OH TYR A 79 5.518 -3.667 -4.610 1.00 1.38 O ATOM 0 H TYR A 79 2.575 -7.588 -7.056 1.00 0.89 H new ATOM 0 HA TYR A 79 0.595 -9.204 -5.755 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.688 -8.335 -3.691 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.783 -9.116 -4.814 1.00 0.91 H new ATOM 0 HD1 TYR A 79 1.730 -5.832 -3.443 1.00 0.99 H new ATOM 0 HD2 TYR A 79 4.572 -7.887 -5.865 1.00 0.84 H new ATOM 0 HE1 TYR A 79 3.192 -3.856 -3.411 1.00 1.13 H new ATOM 0 HE2 TYR A 79 6.025 -5.913 -5.842 1.00 0.99 H new ATOM 0 HH TYR A 79 6.325 -3.854 -5.133 1.00 1.38 H new ATOM 1121 N LYS A 80 -0.901 -7.499 -4.518 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.004 -6.601 -4.217 1.00 1.11 C ATOM 1123 C LYS A 80 -2.221 -6.433 -2.720 1.00 1.06 C ATOM 1124 O LYS A 80 -1.426 -6.895 -1.905 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.292 -7.095 -4.880 1.00 1.41 C ATOM 1126 CG LYS A 80 -3.366 -6.795 -6.366 1.00 2.02 C ATOM 1127 CD LYS A 80 -3.057 -5.331 -6.634 1.00 2.55 C ATOM 1128 CE LYS A 80 -3.362 -4.937 -8.072 1.00 3.04 C ATOM 1129 NZ LYS A 80 -2.661 -5.800 -9.060 1.00 3.48 N ATOM 0 H LYS A 80 -0.899 -8.369 -3.986 1.00 0.87 H new ATOM 0 HA LYS A 80 -1.739 -5.624 -4.621 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.377 -8.171 -4.731 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.146 -6.635 -4.382 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -2.659 -7.426 -6.905 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -4.360 -7.037 -6.742 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -3.640 -4.708 -5.956 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -2.006 -5.138 -6.420 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.437 -4.996 -8.241 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -3.071 -3.899 -8.230 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -2.719 -5.366 -10.003 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -1.663 -5.901 -8.786 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -3.110 -6.738 -9.082 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.315 -5.754 -2.388 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.694 -5.490 -1.006 1.00 1.19 C ATOM 1145 C ILE A 81 -4.157 -6.779 -0.323 1.00 1.22 C ATOM 1146 O ILE A 81 -4.251 -6.859 0.901 1.00 1.37 O ATOM 1147 CB ILE A 81 -4.821 -4.423 -0.955 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -5.136 -4.010 0.485 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -6.081 -4.931 -1.650 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -3.957 -3.401 1.207 1.00 2.55 C ATOM 0 H ILE A 81 -3.965 -5.370 -3.074 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.823 -5.109 -0.474 1.00 1.19 H new ATOM 0 HB ILE A 81 -4.462 -3.542 -1.486 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.958 -3.294 0.478 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -5.480 -4.884 1.039 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -6.857 -4.167 -1.602 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -5.856 -5.154 -2.693 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -6.431 -5.835 -1.153 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -4.251 -3.132 2.221 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -3.141 -4.123 1.245 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -3.627 -2.508 0.676 1.00 2.55 H new ATOM 1162 N SER A 82 -4.433 -7.782 -1.141 1.00 1.31 N ATOM 1163 CA SER A 82 -4.881 -9.081 -0.667 1.00 1.50 C ATOM 1164 C SER A 82 -3.852 -9.688 0.292 1.00 1.47 C ATOM 1165 O SER A 82 -2.663 -9.744 -0.013 1.00 1.81 O ATOM 1166 CB SER A 82 -5.112 -10.001 -1.866 1.00 1.79 C ATOM 1167 OG SER A 82 -5.868 -9.338 -2.869 1.00 2.45 O ATOM 0 H SER A 82 -4.352 -7.718 -2.156 1.00 1.31 H new ATOM 0 HA SER A 82 -5.817 -8.963 -0.120 1.00 1.50 H new ATOM 0 HB2 SER A 82 -4.154 -10.319 -2.277 1.00 1.79 H new ATOM 0 HB3 SER A 82 -5.636 -10.901 -1.544 1.00 1.79 H new ATOM 0 HG SER A 82 -6.004 -9.942 -3.629 1.00 2.45 H new ATOM 1173 N THR A 83 -4.324 -10.152 1.441 1.00 1.47 N ATOM 1174 CA THR A 83 -3.441 -10.638 2.494 1.00 1.50 C ATOM 1175 C THR A 83 -2.736 -11.938 2.102 1.00 1.59 C ATOM 1176 O THR A 83 -1.687 -12.276 2.655 1.00 1.72 O ATOM 1177 CB THR A 83 -4.215 -10.850 3.811 1.00 1.65 C ATOM 1178 OG1 THR A 83 -5.378 -11.658 3.583 1.00 2.04 O ATOM 1179 CG2 THR A 83 -4.637 -9.520 4.416 1.00 1.68 C ATOM 0 H THR A 83 -5.317 -10.202 1.669 1.00 1.47 H new ATOM 0 HA THR A 83 -2.681 -9.870 2.640 1.00 1.50 H new ATOM 0 HB THR A 83 -3.550 -11.359 4.509 1.00 1.65 H new ATOM 0 HG1 THR A 83 -5.858 -11.786 4.428 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.181 -9.698 5.344 1.00 1.68 H new ATOM 0 HG22 THR A 83 -3.753 -8.918 4.624 1.00 1.68 H new ATOM 0 HG23 THR A 83 -5.281 -8.989 3.715 1.00 1.68 H new ATOM 1187 N SER A 84 -3.305 -12.654 1.140 1.00 1.68 N ATOM 1188 CA SER A 84 -2.734 -13.913 0.672 1.00 1.82 C ATOM 1189 C SER A 84 -1.842 -13.690 -0.549 1.00 1.55 C ATOM 1190 O SER A 84 -1.469 -14.643 -1.238 1.00 1.77 O ATOM 1191 CB SER A 84 -3.857 -14.895 0.324 1.00 2.22 C ATOM 1192 OG SER A 84 -4.755 -15.047 1.412 1.00 2.76 O ATOM 0 H SER A 84 -4.166 -12.383 0.666 1.00 1.68 H new ATOM 0 HA SER A 84 -2.121 -14.329 1.471 1.00 1.82 H new ATOM 0 HB2 SER A 84 -4.399 -14.538 -0.552 1.00 2.22 H new ATOM 0 HB3 SER A 84 -3.430 -15.863 0.062 1.00 2.22 H new ATOM 0 HG SER A 84 -5.464 -15.677 1.165 1.00 2.76 H new ATOM 1198 N THR A 85 -1.498 -12.432 -0.812 1.00 1.28 N ATOM 1199 CA THR A 85 -0.668 -12.093 -1.959 1.00 1.11 C ATOM 1200 C THR A 85 0.728 -12.707 -1.814 1.00 0.96 C ATOM 1201 O THR A 85 1.188 -12.973 -0.697 1.00 1.52 O ATOM 1202 CB THR A 85 -0.568 -10.557 -2.143 1.00 1.30 C ATOM 1203 OG1 THR A 85 -0.140 -10.244 -3.471 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.397 -9.934 -1.142 1.00 0.91 C ATOM 0 H THR A 85 -1.782 -11.633 -0.245 1.00 1.28 H new ATOM 0 HA THR A 85 -1.141 -12.509 -2.849 1.00 1.11 H new ATOM 0 HB THR A 85 -1.561 -10.142 -1.968 1.00 1.30 H new ATOM 0 HG1 THR A 85 0.832 -10.351 -3.535 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.441 -8.857 -1.301 1.00 0.91 H new ATOM 0 HG22 THR A 85 0.051 -10.137 -0.128 1.00 0.91 H new ATOM 0 HG23 THR A 85 1.390 -10.362 -1.279 1.00 0.91 H new ATOM 1212 N ASN A 86 1.391 -12.931 -2.942 1.00 1.23 N ATOM 1213 CA ASN A 86 2.691 -13.608 -2.970 1.00 1.36 C ATOM 1214 C ASN A 86 3.829 -12.683 -2.522 1.00 1.10 C ATOM 1215 O ASN A 86 4.855 -12.567 -3.189 1.00 1.53 O ATOM 1216 CB ASN A 86 2.969 -14.163 -4.377 1.00 1.81 C ATOM 1217 CG ASN A 86 2.827 -13.125 -5.482 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.033 -11.932 -5.278 1.00 3.05 O ATOM 1219 ND2 ASN A 86 2.464 -13.578 -6.673 1.00 2.73 N ATOM 0 H ASN A 86 1.049 -12.652 -3.861 1.00 1.23 H new ATOM 0 HA ASN A 86 2.649 -14.435 -2.261 1.00 1.36 H new ATOM 0 HB2 ASN A 86 3.978 -14.573 -4.403 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.284 -14.988 -4.575 1.00 1.81 H new ATOM 0 HD21 ASN A 86 2.348 -12.930 -7.452 1.00 2.73 H new ATOM 0 HD22 ASN A 86 2.300 -14.575 -6.811 1.00 2.73 H new ATOM 1226 N CYS A 87 3.649 -12.082 -1.354 1.00 0.87 N ATOM 1227 CA CYS A 87 4.594 -11.117 -0.793 1.00 0.72 C ATOM 1228 C CYS A 87 6.031 -11.654 -0.733 1.00 0.83 C ATOM 1229 O CYS A 87 6.981 -10.940 -1.030 1.00 1.10 O ATOM 1230 CB CYS A 87 4.119 -10.715 0.608 1.00 0.90 C ATOM 1231 SG CYS A 87 5.361 -9.849 1.617 1.00 1.71 S ATOM 0 H CYS A 87 2.836 -12.250 -0.761 1.00 0.87 H new ATOM 0 HA CYS A 87 4.617 -10.250 -1.453 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.242 -10.075 0.509 1.00 0.90 H new ATOM 0 HB3 CYS A 87 3.801 -11.612 1.140 1.00 0.90 H new ATOM 1236 N ASN A 88 6.188 -12.915 -0.378 1.00 0.91 N ATOM 1237 CA ASN A 88 7.519 -13.486 -0.205 1.00 1.09 C ATOM 1238 C ASN A 88 7.990 -14.131 -1.502 1.00 1.10 C ATOM 1239 O ASN A 88 9.114 -14.616 -1.599 1.00 1.24 O ATOM 1240 CB ASN A 88 7.492 -14.515 0.934 1.00 1.38 C ATOM 1241 CG ASN A 88 8.873 -14.890 1.431 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.503 -15.815 0.925 1.00 2.76 O ATOM 1243 ND2 ASN A 88 9.348 -14.184 2.444 1.00 2.55 N ATOM 0 H ASN A 88 5.420 -13.563 -0.204 1.00 0.91 H new ATOM 0 HA ASN A 88 8.220 -12.693 0.053 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.911 -14.114 1.764 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.980 -15.414 0.591 1.00 1.38 H new ATOM 0 HD21 ASN A 88 10.267 -14.401 2.831 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.796 -13.423 2.838 1.00 2.55 H new ATOM 1250 N SER A 89 7.135 -14.097 -2.509 1.00 1.12 N ATOM 1251 CA SER A 89 7.436 -14.726 -3.783 1.00 1.29 C ATOM 1252 C SER A 89 7.621 -13.682 -4.884 1.00 1.42 C ATOM 1253 O SER A 89 7.871 -14.023 -6.040 1.00 2.21 O ATOM 1254 CB SER A 89 6.312 -15.697 -4.148 1.00 1.53 C ATOM 1255 OG SER A 89 6.015 -16.554 -3.053 1.00 2.11 O ATOM 0 H SER A 89 6.224 -13.639 -2.469 1.00 1.12 H new ATOM 0 HA SER A 89 8.373 -15.275 -3.690 1.00 1.29 H new ATOM 0 HB2 SER A 89 5.420 -15.139 -4.432 1.00 1.53 H new ATOM 0 HB3 SER A 89 6.605 -16.292 -5.013 1.00 1.53 H new ATOM 0 HG SER A 89 5.293 -17.167 -3.304 1.00 2.11 H new ATOM 1261 N ILE A 90 7.500 -12.407 -4.523 1.00 1.14 N ATOM 1262 CA ILE A 90 7.673 -11.320 -5.486 1.00 1.35 C ATOM 1263 C ILE A 90 9.143 -11.113 -5.817 1.00 1.76 C ATOM 1264 O ILE A 90 9.486 -10.813 -6.960 1.00 2.17 O ATOM 1265 CB ILE A 90 7.090 -9.984 -4.972 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.719 -9.597 -3.628 1.00 1.08 C ATOM 1267 CG2 ILE A 90 5.578 -10.073 -4.859 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.232 -8.269 -3.086 1.00 0.97 C ATOM 0 H ILE A 90 7.284 -12.101 -3.574 1.00 1.14 H new ATOM 0 HA ILE A 90 7.128 -11.618 -6.382 1.00 1.35 H new ATOM 0 HB ILE A 90 7.333 -9.203 -5.692 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.504 -10.378 -2.898 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.802 -9.557 -3.742 1.00 1.08 H new ATOM 0 HG21 ILE A 90 5.184 -9.124 -4.496 1.00 1.14 H new ATOM 0 HG22 ILE A 90 5.152 -10.292 -5.838 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.311 -10.867 -4.162 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.721 -8.063 -2.134 1.00 0.97 H new ATOM 0 HD12 ILE A 90 7.471 -7.477 -3.795 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.153 -8.310 -2.938 1.00 0.97 H new ATOM 1280 N ASN A 91 9.992 -11.304 -4.810 1.00 2.27 N ATOM 1281 CA ASN A 91 11.428 -11.050 -4.918 1.00 2.91 C ATOM 1282 C ASN A 91 11.701 -9.564 -5.083 1.00 3.60 C ATOM 1283 O ASN A 91 11.833 -8.881 -4.053 1.00 4.24 O ATOM 1284 CB ASN A 91 12.062 -11.847 -6.066 1.00 3.41 C ATOM 1285 CG ASN A 91 12.202 -13.322 -5.748 1.00 4.21 C ATOM 1286 OD1 ASN A 91 12.508 -13.636 -4.500 1.00 4.78 O flip ATOM 1287 ND2 ASN A 91 12.052 -14.175 -6.623 1.00 4.68 N flip ATOM 1288 OXT ASN A 91 11.778 -9.087 -6.237 1.00 3.95 O ATOM 0 H ASN A 91 9.703 -11.641 -3.892 1.00 2.27 H new ATOM 0 HA ASN A 91 11.890 -11.388 -3.990 1.00 2.91 H new ATOM 0 HB2 ASN A 91 11.454 -11.729 -6.963 1.00 3.41 H new ATOM 0 HB3 ASN A 91 13.045 -11.433 -6.290 1.00 3.41 H new ATOM 0 HD21 ASN A 91 11.816 -13.893 -7.575 1.00 4.68 H new ATOM 0 HD22 ASN A 91 12.164 -15.163 -6.396 1.00 4.68 H new TER 1295 ASN A 91