USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 86 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.84) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 ASN : amide:sc= 0 X(o=-0.12,f=-0.62) USER MOD Set 3.2: A 37 SER OG : rot 180:sc= -0.122 USER MOD Set 4.1: A 1 MET N :NH3+ -173:sc= 1.24 (180deg=1.13) USER MOD Set 4.2: A 5 GLN : amide:sc= -0.423 X(o=0.82,f=1.1) USER MOD Single : A 1 MET CE :methyl -124:sc= -3.11 (180deg=-4.18) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 7 GLN : amide:sc= -0.847 K(o=-0.85,f=0) USER MOD Single : A 9 ASN : amide:sc= -3.19! C(o=-3.2!,f=-6!) USER MOD Single : A 12 GLN : amide:sc= 0.585 K(o=0.59,f=-1.6) USER MOD Single : A 18 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0444) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc=-0.000344 (180deg=-0.0811) USER MOD Single : A 36 ASN : amide:sc= -0.0161 K(o=-0.016,f=-2!) USER MOD Single : A 38 SER OG : rot 65:sc= 1.18 USER MOD Single : A 40 THR OG1 : rot 53:sc= -0.127 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 73:sc= 0.44 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.053) USER MOD Single : A 62 ASN : amide:sc= -0.189 K(o=-0.19,f=-2!) USER MOD Single : A 64 ASN : amide:sc= -0.594 K(o=-0.59,f=0) USER MOD Single : A 65 ASN : amide:sc= 1.1 K(o=1.1,f=-0.53) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00244) USER MOD Single : A 76 ASN : amide:sc= -0.73 K(o=-0.73,f=-10!) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0.303 (180deg=0.278) USER MOD Single : A 83 THR OG1 : rot 42:sc= 0.108 USER MOD Single : A 85 THR OG1 : rot -140:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.428 -0.443 3.989 1.00 1.70 N ATOM 2 CA MET A 1 12.140 -0.928 4.525 1.00 1.61 C ATOM 3 C MET A 1 12.046 -0.816 6.030 1.00 0.88 C ATOM 4 O MET A 1 12.942 -1.218 6.772 1.00 1.16 O ATOM 5 CB MET A 1 11.910 -2.388 4.140 1.00 2.50 C ATOM 6 CG MET A 1 10.799 -3.035 4.946 1.00 2.77 C ATOM 7 SD MET A 1 9.173 -2.373 4.567 1.00 2.91 S ATOM 8 CE MET A 1 8.212 -3.175 5.850 1.00 2.61 C ATOM 0 H1 MET A 1 13.390 -0.433 2.950 1.00 1.70 H new ATOM 0 H2 MET A 1 13.609 0.520 4.338 1.00 1.70 H new ATOM 0 H3 MET A 1 14.194 -1.074 4.301 1.00 1.70 H new ATOM 0 HA MET A 1 11.376 -0.287 4.084 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.666 -2.446 3.079 1.00 2.50 H new ATOM 0 HB3 MET A 1 12.834 -2.948 4.286 1.00 2.50 H new ATOM 0 HG2 MET A 1 10.800 -4.109 4.758 1.00 2.77 H new ATOM 0 HG3 MET A 1 11.002 -2.897 6.008 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.396 -3.737 5.396 1.00 2.61 H new ATOM 0 HE2 MET A 1 8.852 -3.855 6.412 1.00 2.61 H new ATOM 0 HE3 MET A 1 7.803 -2.421 6.523 1.00 2.61 H new ATOM 20 N THR A 2 10.934 -0.246 6.442 1.00 0.65 N ATOM 21 CA THR A 2 10.418 -0.362 7.784 1.00 1.13 C ATOM 22 C THR A 2 8.907 -0.384 7.644 1.00 1.10 C ATOM 23 O THR A 2 8.388 0.028 6.605 1.00 1.86 O ATOM 24 CB THR A 2 10.825 0.826 8.682 1.00 1.75 C ATOM 25 OG1 THR A 2 10.478 2.056 8.037 1.00 2.36 O ATOM 26 CG2 THR A 2 12.312 0.812 9.003 1.00 2.63 C ATOM 0 H THR A 2 10.349 0.327 5.833 1.00 0.65 H new ATOM 0 HA THR A 2 10.819 -1.258 8.257 1.00 1.13 H new ATOM 0 HB THR A 2 10.284 0.734 9.624 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.735 2.809 8.609 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.555 1.665 9.637 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.563 -0.111 9.525 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.885 0.873 8.077 1.00 2.63 H new ATOM 34 N CYS A 3 8.189 -0.833 8.658 1.00 0.81 N ATOM 35 CA CYS A 3 6.734 -0.747 8.641 1.00 0.69 C ATOM 36 C CYS A 3 6.329 0.725 8.791 1.00 0.65 C ATOM 37 O CYS A 3 5.150 1.070 8.878 1.00 0.79 O ATOM 38 CB CYS A 3 6.142 -1.610 9.763 1.00 0.76 C ATOM 39 SG CYS A 3 4.468 -2.266 9.438 1.00 0.70 S ATOM 0 H CYS A 3 8.582 -1.258 9.498 1.00 0.81 H new ATOM 0 HA CYS A 3 6.343 -1.127 7.697 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.814 -2.448 9.948 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.112 -1.018 10.678 1.00 0.76 H new ATOM 44 N GLY A 4 7.347 1.588 8.790 1.00 0.57 N ATOM 45 CA GLY A 4 7.145 3.015 8.846 1.00 0.56 C ATOM 46 C GLY A 4 7.353 3.625 7.482 1.00 0.51 C ATOM 47 O GLY A 4 6.751 4.644 7.145 1.00 0.53 O ATOM 0 H GLY A 4 8.327 1.307 8.750 1.00 0.57 H new ATOM 0 HA2 GLY A 4 6.138 3.233 9.200 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.837 3.460 9.561 1.00 0.56 H new ATOM 51 N GLN A 5 8.210 2.982 6.688 1.00 0.52 N ATOM 52 CA GLN A 5 8.366 3.343 5.289 1.00 0.51 C ATOM 53 C GLN A 5 7.049 3.070 4.590 1.00 0.46 C ATOM 54 O GLN A 5 6.561 3.878 3.799 1.00 0.52 O ATOM 55 CB GLN A 5 9.494 2.525 4.649 1.00 0.60 C ATOM 56 CG GLN A 5 9.771 2.877 3.197 1.00 0.62 C ATOM 57 CD GLN A 5 10.835 1.990 2.579 1.00 0.81 C ATOM 58 OE1 GLN A 5 12.028 2.296 2.636 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.412 0.884 1.988 1.00 0.96 N ATOM 0 H GLN A 5 8.803 2.211 6.994 1.00 0.52 H new ATOM 0 HA GLN A 5 8.629 4.397 5.197 1.00 0.51 H new ATOM 0 HB2 GLN A 5 10.407 2.671 5.227 1.00 0.60 H new ATOM 0 HB3 GLN A 5 9.242 1.467 4.713 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.849 2.788 2.622 1.00 0.62 H new ATOM 0 HG3 GLN A 5 10.088 3.918 3.133 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.415 0.668 1.963 1.00 0.96 H new ATOM 0 HE22 GLN A 5 11.083 0.247 1.557 1.00 0.96 H new ATOM 68 N VAL A 6 6.472 1.927 4.937 1.00 0.43 N ATOM 69 CA VAL A 6 5.157 1.526 4.467 1.00 0.44 C ATOM 70 C VAL A 6 4.093 2.503 4.958 1.00 0.44 C ATOM 71 O VAL A 6 3.166 2.849 4.225 1.00 0.49 O ATOM 72 CB VAL A 6 4.810 0.115 4.985 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.483 -0.371 4.453 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.887 -0.879 4.631 1.00 1.12 C ATOM 0 H VAL A 6 6.910 1.247 5.559 1.00 0.43 H new ATOM 0 HA VAL A 6 5.176 1.524 3.377 1.00 0.44 H new ATOM 0 HB VAL A 6 4.739 0.193 6.070 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.278 -1.368 4.843 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.693 0.311 4.768 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.519 -0.407 3.364 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.612 -1.863 5.010 1.00 1.12 H new ATOM 0 HG22 VAL A 6 5.998 -0.925 3.548 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.831 -0.568 5.079 1.00 1.12 H new ATOM 84 N GLN A 7 4.245 2.949 6.204 1.00 0.47 N ATOM 85 CA GLN A 7 3.291 3.865 6.819 1.00 0.54 C ATOM 86 C GLN A 7 3.173 5.159 6.017 1.00 0.58 C ATOM 87 O GLN A 7 2.131 5.802 6.031 1.00 0.70 O ATOM 88 CB GLN A 7 3.689 4.173 8.266 1.00 0.66 C ATOM 89 CG GLN A 7 2.693 5.061 8.998 1.00 0.98 C ATOM 90 CD GLN A 7 3.084 5.333 10.442 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.223 5.521 11.304 1.00 1.97 O ATOM 92 NE2 GLN A 7 4.378 5.368 10.717 1.00 1.69 N ATOM 0 H GLN A 7 5.024 2.688 6.808 1.00 0.47 H new ATOM 0 HA GLN A 7 2.317 3.376 6.822 1.00 0.54 H new ATOM 0 HB2 GLN A 7 3.796 3.235 8.812 1.00 0.66 H new ATOM 0 HB3 GLN A 7 4.666 4.657 8.270 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.603 6.009 8.468 1.00 0.98 H new ATOM 0 HG3 GLN A 7 1.711 4.589 8.977 1.00 0.98 H new ATOM 0 HE21 GLN A 7 5.061 5.207 9.977 1.00 1.69 H new ATOM 0 HE22 GLN A 7 4.692 5.555 11.669 1.00 1.69 H new ATOM 101 N GLY A 8 4.234 5.522 5.299 1.00 0.60 N ATOM 102 CA GLY A 8 4.188 6.712 4.461 1.00 0.70 C ATOM 103 C GLY A 8 3.112 6.615 3.391 1.00 0.66 C ATOM 104 O GLY A 8 2.573 7.625 2.946 1.00 0.82 O ATOM 0 H GLY A 8 5.120 5.017 5.281 1.00 0.60 H new ATOM 0 HA2 GLY A 8 4.002 7.587 5.084 1.00 0.70 H new ATOM 0 HA3 GLY A 8 5.158 6.859 3.987 1.00 0.70 H new ATOM 108 N ASN A 9 2.804 5.390 2.987 1.00 0.58 N ATOM 109 CA ASN A 9 1.704 5.136 2.065 1.00 0.63 C ATOM 110 C ASN A 9 0.383 5.268 2.817 1.00 0.62 C ATOM 111 O ASN A 9 -0.418 6.166 2.551 1.00 0.78 O ATOM 112 CB ASN A 9 1.842 3.728 1.455 1.00 0.75 C ATOM 113 CG ASN A 9 0.742 3.368 0.464 1.00 1.30 C ATOM 114 OD1 ASN A 9 -0.396 3.814 0.570 1.00 1.86 O ATOM 115 ND2 ASN A 9 1.081 2.540 -0.511 1.00 1.86 N ATOM 0 H ASN A 9 3.303 4.552 3.285 1.00 0.58 H new ATOM 0 HA ASN A 9 1.728 5.863 1.253 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.807 3.654 0.953 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.845 2.994 2.260 1.00 0.75 H new ATOM 0 HD21 ASN A 9 0.387 2.255 -1.202 1.00 1.86 H new ATOM 0 HD22 ASN A 9 2.036 2.187 -0.571 1.00 1.86 H new ATOM 122 N LEU A 10 0.198 4.395 3.801 1.00 0.56 N ATOM 123 CA LEU A 10 -1.063 4.296 4.528 1.00 0.66 C ATOM 124 C LEU A 10 -1.455 5.608 5.202 1.00 0.65 C ATOM 125 O LEU A 10 -2.589 6.046 5.078 1.00 0.72 O ATOM 126 CB LEU A 10 -0.996 3.180 5.579 1.00 0.89 C ATOM 127 CG LEU A 10 -1.061 1.739 5.044 1.00 1.00 C ATOM 128 CD1 LEU A 10 -2.299 1.537 4.185 1.00 1.45 C ATOM 129 CD2 LEU A 10 0.194 1.377 4.263 1.00 1.73 C ATOM 0 H LEU A 10 0.913 3.739 4.116 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.829 4.061 3.789 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.070 3.295 6.142 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -1.817 3.322 6.282 1.00 0.89 H new ATOM 0 HG LEU A 10 -1.123 1.073 5.904 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.324 0.511 3.818 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -3.191 1.731 4.781 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.271 2.224 3.339 1.00 1.45 H new ATOM 0 HD21 LEU A 10 0.114 0.352 3.900 1.00 1.73 H new ATOM 0 HD22 LEU A 10 0.304 2.054 3.416 1.00 1.73 H new ATOM 0 HD23 LEU A 10 1.065 1.464 4.913 1.00 1.73 H new ATOM 141 N ALA A 11 -0.511 6.248 5.884 1.00 0.62 N ATOM 142 CA ALA A 11 -0.805 7.426 6.703 1.00 0.69 C ATOM 143 C ALA A 11 -1.529 8.515 5.915 1.00 0.63 C ATOM 144 O ALA A 11 -2.398 9.208 6.445 1.00 0.72 O ATOM 145 CB ALA A 11 0.479 7.985 7.299 1.00 0.77 C ATOM 0 H ALA A 11 0.471 5.971 5.888 1.00 0.62 H new ATOM 0 HA ALA A 11 -1.472 7.103 7.503 1.00 0.69 H new ATOM 0 HB1 ALA A 11 0.248 8.860 7.906 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.951 7.226 7.923 1.00 0.77 H new ATOM 0 HB3 ALA A 11 1.159 8.270 6.496 1.00 0.77 H new ATOM 151 N GLN A 12 -1.181 8.652 4.650 1.00 0.56 N ATOM 152 CA GLN A 12 -1.738 9.708 3.819 1.00 0.53 C ATOM 153 C GLN A 12 -2.979 9.231 3.087 1.00 0.52 C ATOM 154 O GLN A 12 -3.886 10.010 2.795 1.00 0.60 O ATOM 155 CB GLN A 12 -0.701 10.156 2.800 1.00 0.56 C ATOM 156 CG GLN A 12 0.652 10.471 3.408 1.00 0.52 C ATOM 157 CD GLN A 12 1.640 11.004 2.396 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.717 12.207 2.161 1.00 2.18 O ATOM 159 NE2 GLN A 12 2.417 10.116 1.804 1.00 1.88 N ATOM 0 H GLN A 12 -0.514 8.045 4.172 1.00 0.56 H new ATOM 0 HA GLN A 12 -2.013 10.540 4.467 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.580 9.374 2.050 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.072 11.040 2.282 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.525 11.203 4.205 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.058 9.569 3.865 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.321 9.125 2.027 1.00 1.88 H new ATOM 0 HE22 GLN A 12 3.113 10.421 1.123 1.00 1.88 H new ATOM 168 N CYS A 13 -3.012 7.948 2.803 1.00 0.52 N ATOM 169 CA CYS A 13 -4.055 7.376 1.978 1.00 0.56 C ATOM 170 C CYS A 13 -5.205 6.836 2.812 1.00 0.53 C ATOM 171 O CYS A 13 -6.292 6.609 2.293 1.00 0.56 O ATOM 172 CB CYS A 13 -3.448 6.284 1.111 1.00 0.69 C ATOM 173 SG CYS A 13 -2.129 6.884 0.008 1.00 1.23 S ATOM 0 H CYS A 13 -2.322 7.274 3.135 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.474 8.158 1.345 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.045 5.502 1.754 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -4.235 5.829 0.510 1.00 0.69 H new ATOM 178 N ILE A 14 -4.964 6.659 4.108 1.00 0.58 N ATOM 179 CA ILE A 14 -5.987 6.166 5.037 1.00 0.67 C ATOM 180 C ILE A 14 -7.252 7.038 4.995 1.00 0.67 C ATOM 181 O ILE A 14 -8.344 6.565 5.303 1.00 0.77 O ATOM 182 CB ILE A 14 -5.430 6.073 6.489 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.719 4.729 6.697 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.520 6.265 7.541 1.00 1.04 C ATOM 185 CD1 ILE A 14 -4.026 4.605 8.039 1.00 1.11 C ATOM 0 H ILE A 14 -4.063 6.850 4.545 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.263 5.162 4.714 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.714 6.885 6.616 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.448 3.924 6.599 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -3.983 4.591 5.905 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.082 6.191 8.536 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -6.976 7.247 7.417 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.281 5.494 7.422 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.547 3.629 8.112 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.273 5.387 8.133 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.760 4.710 8.838 1.00 1.11 H new ATOM 197 N GLY A 15 -7.105 8.303 4.606 1.00 0.66 N ATOM 198 CA GLY A 15 -8.264 9.166 4.436 1.00 0.76 C ATOM 199 C GLY A 15 -9.269 8.596 3.461 1.00 0.86 C ATOM 200 O GLY A 15 -10.366 8.219 3.851 1.00 1.45 O ATOM 0 H GLY A 15 -6.208 8.745 4.406 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.745 9.318 5.402 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.937 10.145 4.085 1.00 0.76 H new ATOM 204 N PHE A 16 -8.880 8.542 2.195 1.00 0.61 N ATOM 205 CA PHE A 16 -9.699 7.950 1.137 1.00 0.60 C ATOM 206 C PHE A 16 -9.927 6.464 1.405 1.00 0.60 C ATOM 207 O PHE A 16 -10.984 5.914 1.097 1.00 0.69 O ATOM 208 CB PHE A 16 -8.990 8.166 -0.202 1.00 0.59 C ATOM 209 CG PHE A 16 -9.453 7.260 -1.312 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.598 7.561 -2.035 1.00 0.73 C ATOM 211 CD2 PHE A 16 -8.745 6.115 -1.635 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.027 6.734 -3.055 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.171 5.285 -2.655 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.307 5.579 -3.355 1.00 0.91 C ATOM 0 H PHE A 16 -7.986 8.907 1.868 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.678 8.429 1.110 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.135 9.201 -0.512 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -7.919 8.023 -0.058 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.160 8.452 -1.798 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -7.850 5.867 -1.084 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -11.916 6.981 -3.617 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.603 4.400 -2.900 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.646 4.918 -4.139 1.00 0.91 H new ATOM 224 N LEU A 17 -8.914 5.829 1.968 1.00 0.56 N ATOM 225 CA LEU A 17 -9.005 4.457 2.444 1.00 0.67 C ATOM 226 C LEU A 17 -10.226 4.270 3.334 1.00 0.79 C ATOM 227 O LEU A 17 -10.954 3.295 3.193 1.00 0.87 O ATOM 228 CB LEU A 17 -7.735 4.140 3.224 1.00 0.74 C ATOM 229 CG LEU A 17 -6.776 3.151 2.573 1.00 0.79 C ATOM 230 CD1 LEU A 17 -6.446 3.569 1.149 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.505 3.026 3.397 1.00 1.43 C ATOM 0 H LEU A 17 -7.997 6.253 2.109 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.109 3.781 1.595 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.199 5.073 3.399 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.021 3.748 4.200 1.00 0.74 H new ATOM 0 HG LEU A 17 -7.266 2.178 2.535 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -5.760 2.846 0.707 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -7.362 3.607 0.559 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -5.979 4.554 1.158 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -4.830 2.316 2.919 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.019 3.999 3.466 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.754 2.673 4.398 1.00 1.43 H new ATOM 243 N GLN A 18 -10.452 5.216 4.234 1.00 0.87 N ATOM 244 CA GLN A 18 -11.538 5.131 5.169 1.00 1.07 C ATOM 245 C GLN A 18 -12.788 5.777 4.585 1.00 1.09 C ATOM 246 O GLN A 18 -13.845 5.155 4.503 1.00 1.20 O ATOM 247 CB GLN A 18 -11.127 5.828 6.457 1.00 1.25 C ATOM 248 CG GLN A 18 -12.053 5.527 7.596 1.00 1.08 C ATOM 249 CD GLN A 18 -11.733 6.309 8.853 1.00 1.33 C ATOM 250 OE1 GLN A 18 -12.623 6.624 9.641 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.464 6.628 9.050 1.00 2.00 N ATOM 0 H GLN A 18 -9.883 6.057 4.328 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.767 4.086 5.378 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -10.116 5.521 6.725 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -11.100 6.905 6.290 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -13.076 5.747 7.291 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -12.009 4.461 7.819 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -9.756 6.347 8.371 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -10.194 7.155 9.881 1.00 2.00 H new ATOM 260 N LYS A 19 -12.656 7.033 4.186 1.00 1.06 N ATOM 261 CA LYS A 19 -13.739 7.751 3.525 1.00 1.21 C ATOM 262 C LYS A 19 -13.343 8.086 2.093 1.00 1.34 C ATOM 263 O LYS A 19 -12.682 9.096 1.838 1.00 2.08 O ATOM 264 CB LYS A 19 -14.120 9.037 4.281 1.00 1.41 C ATOM 265 CG LYS A 19 -14.964 8.801 5.531 1.00 1.98 C ATOM 266 CD LYS A 19 -14.168 8.136 6.639 1.00 2.69 C ATOM 267 CE LYS A 19 -15.041 7.785 7.832 1.00 3.29 C ATOM 268 NZ LYS A 19 -15.623 8.988 8.481 1.00 4.09 N ATOM 0 H LYS A 19 -11.804 7.580 4.309 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.613 7.100 3.520 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -13.208 9.561 4.566 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.668 9.694 3.605 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -15.356 9.753 5.888 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -15.821 8.178 5.277 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -13.697 7.231 6.255 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -13.366 8.801 6.959 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -15.846 7.125 7.508 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -14.449 7.232 8.562 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -16.140 8.704 9.338 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -14.860 9.646 8.739 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -16.276 9.456 7.821 1.00 4.09 H new ATOM 282 N GLY A 20 -13.721 7.212 1.171 1.00 1.18 N ATOM 283 CA GLY A 20 -13.406 7.403 -0.230 1.00 1.47 C ATOM 284 C GLY A 20 -14.060 8.635 -0.820 1.00 1.29 C ATOM 285 O GLY A 20 -15.280 8.679 -0.996 1.00 1.99 O ATOM 0 H GLY A 20 -14.248 6.362 1.373 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -12.325 7.481 -0.347 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -13.725 6.525 -0.792 1.00 1.47 H new ATOM 289 N GLY A 21 -13.248 9.637 -1.118 1.00 1.10 N ATOM 290 CA GLY A 21 -13.751 10.859 -1.712 1.00 1.37 C ATOM 291 C GLY A 21 -12.701 11.542 -2.561 1.00 1.26 C ATOM 292 O GLY A 21 -12.880 11.709 -3.767 1.00 1.79 O ATOM 0 H GLY A 21 -12.241 9.626 -0.958 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.624 10.633 -2.324 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -14.080 11.537 -0.925 1.00 1.37 H new ATOM 296 N VAL A 22 -11.597 11.919 -1.936 1.00 1.14 N ATOM 297 CA VAL A 22 -10.523 12.604 -2.634 1.00 1.00 C ATOM 298 C VAL A 22 -9.168 11.983 -2.286 1.00 0.82 C ATOM 299 O VAL A 22 -8.888 11.689 -1.123 1.00 0.87 O ATOM 300 CB VAL A 22 -10.523 14.119 -2.305 1.00 1.11 C ATOM 301 CG1 VAL A 22 -10.447 14.355 -0.804 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.387 14.834 -3.022 1.00 1.28 C ATOM 0 H VAL A 22 -11.422 11.761 -0.944 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.693 12.488 -3.704 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.464 14.535 -2.663 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -10.449 15.426 -0.604 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -11.307 13.894 -0.319 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -9.530 13.914 -0.412 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.411 15.895 -2.774 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.434 14.409 -2.708 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.502 14.711 -4.099 1.00 1.28 H new ATOM 312 N VAL A 23 -8.348 11.758 -3.306 1.00 0.71 N ATOM 313 CA VAL A 23 -7.009 11.220 -3.104 1.00 0.58 C ATOM 314 C VAL A 23 -5.969 12.319 -3.275 1.00 0.54 C ATOM 315 O VAL A 23 -5.838 12.902 -4.351 1.00 0.58 O ATOM 316 CB VAL A 23 -6.682 10.070 -4.081 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.289 9.520 -3.808 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.713 8.963 -3.977 1.00 0.69 C ATOM 0 H VAL A 23 -8.587 11.940 -4.281 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.981 10.823 -2.089 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.709 10.469 -5.095 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.074 8.710 -4.505 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.553 10.314 -3.936 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.241 9.142 -2.787 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.461 8.164 -4.675 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.722 8.568 -2.961 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.699 9.360 -4.220 1.00 0.69 H new ATOM 328 N PRO A 24 -5.236 12.629 -2.207 1.00 0.54 N ATOM 329 CA PRO A 24 -4.161 13.617 -2.251 1.00 0.58 C ATOM 330 C PRO A 24 -2.917 13.086 -2.966 1.00 0.55 C ATOM 331 O PRO A 24 -2.504 11.947 -2.745 1.00 0.47 O ATOM 332 CB PRO A 24 -3.860 13.871 -0.773 1.00 0.67 C ATOM 333 CG PRO A 24 -4.256 12.609 -0.086 1.00 0.81 C ATOM 334 CD PRO A 24 -5.408 12.046 -0.865 1.00 0.59 C ATOM 0 HA PRO A 24 -4.447 14.512 -2.803 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.805 14.093 -0.616 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.425 14.723 -0.394 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.425 11.905 -0.058 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.544 12.803 0.947 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.378 10.957 -0.894 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.365 12.327 -0.425 1.00 0.59 H new ATOM 342 N PRO A 25 -2.298 13.913 -3.832 1.00 0.65 N ATOM 343 CA PRO A 25 -1.063 13.550 -4.549 1.00 0.67 C ATOM 344 C PRO A 25 0.079 13.195 -3.598 1.00 0.66 C ATOM 345 O PRO A 25 1.064 12.572 -3.989 1.00 0.71 O ATOM 346 CB PRO A 25 -0.720 14.818 -5.338 1.00 0.81 C ATOM 347 CG PRO A 25 -2.010 15.553 -5.463 1.00 1.03 C ATOM 348 CD PRO A 25 -2.767 15.261 -4.200 1.00 0.81 C ATOM 0 HA PRO A 25 -1.203 12.667 -5.172 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.027 15.417 -4.817 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.308 14.575 -6.317 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.841 16.623 -5.580 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.567 15.221 -6.339 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.547 15.991 -3.421 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.845 15.282 -4.362 1.00 0.81 H new ATOM 356 N SER A 26 -0.087 13.571 -2.343 1.00 0.68 N ATOM 357 CA SER A 26 0.892 13.290 -1.306 1.00 0.73 C ATOM 358 C SER A 26 0.796 11.823 -0.937 1.00 0.65 C ATOM 359 O SER A 26 1.791 11.097 -0.920 1.00 0.68 O ATOM 360 CB SER A 26 0.609 14.154 -0.083 1.00 0.83 C ATOM 361 OG SER A 26 0.622 15.533 -0.423 1.00 0.91 O ATOM 0 H SER A 26 -0.906 14.081 -2.012 1.00 0.68 H new ATOM 0 HA SER A 26 1.895 13.516 -1.668 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.360 13.888 0.339 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.356 13.958 0.686 1.00 0.83 H new ATOM 0 HG SER A 26 0.436 16.069 0.376 1.00 0.91 H new ATOM 367 N CYS A 27 -0.431 11.412 -0.655 1.00 0.58 N ATOM 368 CA CYS A 27 -0.773 10.013 -0.488 1.00 0.55 C ATOM 369 C CYS A 27 -0.245 9.222 -1.676 1.00 0.47 C ATOM 370 O CYS A 27 0.457 8.225 -1.510 1.00 0.48 O ATOM 371 CB CYS A 27 -2.299 9.899 -0.387 1.00 0.57 C ATOM 372 SG CYS A 27 -3.016 8.364 -1.058 1.00 0.74 S ATOM 0 H CYS A 27 -1.221 12.046 -0.535 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.323 9.608 0.418 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.584 9.985 0.662 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.745 10.746 -0.908 1.00 0.57 H new ATOM 377 N CYS A 28 -0.537 9.717 -2.875 1.00 0.42 N ATOM 378 CA CYS A 28 -0.098 9.064 -4.095 1.00 0.40 C ATOM 379 C CYS A 28 1.419 8.960 -4.178 1.00 0.45 C ATOM 380 O CYS A 28 1.956 7.983 -4.700 1.00 0.50 O ATOM 381 CB CYS A 28 -0.659 9.770 -5.329 1.00 0.45 C ATOM 382 SG CYS A 28 -2.355 9.262 -5.717 1.00 1.40 S ATOM 0 H CYS A 28 -1.077 10.570 -3.024 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.492 8.048 -4.069 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.635 10.848 -5.168 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.017 9.561 -6.185 1.00 0.45 H new ATOM 387 N THR A 29 2.108 9.957 -3.643 1.00 0.51 N ATOM 388 CA THR A 29 3.557 9.933 -3.597 1.00 0.58 C ATOM 389 C THR A 29 4.040 8.779 -2.715 1.00 0.54 C ATOM 390 O THR A 29 5.016 8.105 -3.035 1.00 0.56 O ATOM 391 CB THR A 29 4.117 11.269 -3.062 1.00 0.72 C ATOM 392 OG1 THR A 29 3.726 12.348 -3.923 1.00 0.79 O ATOM 393 CG2 THR A 29 5.634 11.231 -2.953 1.00 0.77 C ATOM 0 H THR A 29 1.685 10.791 -3.236 1.00 0.51 H new ATOM 0 HA THR A 29 3.923 9.787 -4.613 1.00 0.58 H new ATOM 0 HB THR A 29 3.705 11.426 -2.065 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.767 12.520 -3.817 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.996 12.187 -2.573 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.930 10.434 -2.271 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.065 11.045 -3.937 1.00 0.77 H new ATOM 401 N GLY A 30 3.329 8.544 -1.615 1.00 0.54 N ATOM 402 CA GLY A 30 3.697 7.476 -0.705 1.00 0.57 C ATOM 403 C GLY A 30 3.427 6.106 -1.285 1.00 0.47 C ATOM 404 O GLY A 30 4.174 5.160 -1.036 1.00 0.51 O ATOM 0 H GLY A 30 2.504 9.076 -1.339 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.755 7.561 -0.458 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.143 7.589 0.227 1.00 0.57 H new ATOM 408 N VAL A 31 2.352 5.994 -2.052 1.00 0.41 N ATOM 409 CA VAL A 31 2.053 4.757 -2.757 1.00 0.44 C ATOM 410 C VAL A 31 3.160 4.473 -3.755 1.00 0.39 C ATOM 411 O VAL A 31 3.679 3.361 -3.829 1.00 0.40 O ATOM 412 CB VAL A 31 0.709 4.827 -3.510 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.267 3.441 -3.949 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.360 5.477 -2.654 1.00 0.65 C ATOM 0 H VAL A 31 1.675 6.742 -2.201 1.00 0.41 H new ATOM 0 HA VAL A 31 1.982 3.962 -2.015 1.00 0.44 H new ATOM 0 HB VAL A 31 0.854 5.442 -4.398 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.683 3.513 -4.478 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.019 3.012 -4.611 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.147 2.803 -3.073 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.298 5.514 -3.209 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.500 4.895 -1.743 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.052 6.490 -2.394 1.00 0.65 H new ATOM 424 N LYS A 32 3.532 5.506 -4.502 1.00 0.40 N ATOM 425 CA LYS A 32 4.643 5.422 -5.435 1.00 0.46 C ATOM 426 C LYS A 32 5.945 5.086 -4.707 1.00 0.44 C ATOM 427 O LYS A 32 6.850 4.494 -5.289 1.00 0.49 O ATOM 428 CB LYS A 32 4.789 6.729 -6.213 1.00 0.58 C ATOM 429 CG LYS A 32 3.752 6.891 -7.313 1.00 1.05 C ATOM 430 CD LYS A 32 3.843 8.253 -7.978 1.00 1.14 C ATOM 431 CE LYS A 32 3.021 8.303 -9.257 1.00 1.31 C ATOM 432 NZ LYS A 32 3.657 7.538 -10.363 1.00 1.54 N ATOM 0 H LYS A 32 3.075 6.417 -4.477 1.00 0.40 H new ATOM 0 HA LYS A 32 4.432 4.619 -6.141 1.00 0.46 H new ATOM 0 HB2 LYS A 32 4.709 7.567 -5.521 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.785 6.773 -6.653 1.00 0.58 H new ATOM 0 HG2 LYS A 32 3.891 6.111 -8.062 1.00 1.05 H new ATOM 0 HG3 LYS A 32 2.754 6.757 -6.895 1.00 1.05 H new ATOM 0 HD2 LYS A 32 3.492 9.020 -7.288 1.00 1.14 H new ATOM 0 HD3 LYS A 32 4.885 8.480 -8.204 1.00 1.14 H new ATOM 0 HE2 LYS A 32 2.027 7.901 -9.064 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.891 9.341 -9.563 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 3.180 7.762 -11.259 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.662 7.797 -10.432 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 3.575 6.519 -10.172 1.00 1.54 H new ATOM 446 N ASN A 33 6.032 5.449 -3.430 1.00 0.41 N ATOM 447 CA ASN A 33 7.188 5.084 -2.622 1.00 0.44 C ATOM 448 C ASN A 33 7.197 3.585 -2.349 1.00 0.39 C ATOM 449 O ASN A 33 8.191 2.908 -2.577 1.00 0.46 O ATOM 450 CB ASN A 33 7.199 5.857 -1.300 1.00 0.52 C ATOM 451 CG ASN A 33 7.835 7.227 -1.422 1.00 1.19 C ATOM 452 OD1 ASN A 33 7.873 7.819 -2.502 1.00 2.11 O ATOM 453 ND2 ASN A 33 8.330 7.747 -0.309 1.00 1.58 N ATOM 0 H ASN A 33 5.322 5.991 -2.937 1.00 0.41 H new ATOM 0 HA ASN A 33 8.085 5.347 -3.183 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.176 5.968 -0.942 1.00 0.52 H new ATOM 0 HB3 ASN A 33 7.738 5.277 -0.551 1.00 0.52 H new ATOM 0 HD21 ASN A 33 8.763 8.671 -0.326 1.00 1.58 H new ATOM 0 HD22 ASN A 33 8.278 7.224 0.565 1.00 1.58 H new ATOM 460 N ILE A 34 6.077 3.072 -1.878 1.00 0.36 N ATOM 461 CA ILE A 34 5.945 1.656 -1.562 1.00 0.40 C ATOM 462 C ILE A 34 6.046 0.778 -2.813 1.00 0.48 C ATOM 463 O ILE A 34 6.350 -0.414 -2.732 1.00 0.57 O ATOM 464 CB ILE A 34 4.630 1.435 -0.766 1.00 0.48 C ATOM 465 CG1 ILE A 34 4.934 1.412 0.737 1.00 0.61 C ATOM 466 CG2 ILE A 34 3.892 0.171 -1.180 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.117 2.271 1.140 1.00 0.58 C ATOM 0 H ILE A 34 5.234 3.619 -1.703 1.00 0.36 H new ATOM 0 HA ILE A 34 6.779 1.346 -0.932 1.00 0.40 H new ATOM 0 HB ILE A 34 3.967 2.269 -0.997 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.051 1.749 1.281 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.124 0.383 1.043 1.00 0.61 H new ATOM 0 HG21 ILE A 34 2.982 0.071 -0.589 1.00 0.65 H new ATOM 0 HG22 ILE A 34 3.633 0.230 -2.237 1.00 0.65 H new ATOM 0 HG23 ILE A 34 4.531 -0.695 -1.011 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.267 2.201 2.217 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.012 1.922 0.626 1.00 0.58 H new ATOM 0 HD13 ILE A 34 5.923 3.308 0.867 1.00 0.58 H new ATOM 479 N LEU A 35 5.841 1.376 -3.973 1.00 0.56 N ATOM 480 CA LEU A 35 6.044 0.666 -5.225 1.00 0.79 C ATOM 481 C LEU A 35 7.458 0.870 -5.755 1.00 0.93 C ATOM 482 O LEU A 35 8.283 -0.043 -5.724 1.00 1.31 O ATOM 483 CB LEU A 35 5.026 1.103 -6.278 1.00 1.04 C ATOM 484 CG LEU A 35 3.734 0.291 -6.290 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.883 0.576 -5.062 1.00 1.36 C ATOM 486 CD2 LEU A 35 2.953 0.552 -7.559 1.00 1.93 C ATOM 0 H LEU A 35 5.536 2.344 -4.075 1.00 0.56 H new ATOM 0 HA LEU A 35 5.901 -0.395 -5.020 1.00 0.79 H new ATOM 0 HB2 LEU A 35 4.779 2.152 -6.112 1.00 1.04 H new ATOM 0 HB3 LEU A 35 5.490 1.037 -7.262 1.00 1.04 H new ATOM 0 HG LEU A 35 4.005 -0.764 -6.262 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.971 -0.020 -5.105 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.443 0.318 -4.163 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.624 1.634 -5.037 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.035 -0.036 -7.549 1.00 1.93 H new ATOM 0 HD22 LEU A 35 2.705 1.611 -7.622 1.00 1.93 H new ATOM 0 HD23 LEU A 35 3.556 0.269 -8.422 1.00 1.93 H new ATOM 498 N ASN A 36 7.734 2.073 -6.219 1.00 0.89 N ATOM 499 CA ASN A 36 9.006 2.381 -6.874 1.00 1.06 C ATOM 500 C ASN A 36 10.143 2.571 -5.873 1.00 1.01 C ATOM 501 O ASN A 36 11.242 2.054 -6.071 1.00 1.13 O ATOM 502 CB ASN A 36 8.882 3.639 -7.739 1.00 1.21 C ATOM 503 CG ASN A 36 8.028 3.438 -8.977 1.00 1.58 C ATOM 504 OD1 ASN A 36 7.076 2.658 -8.983 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.363 4.152 -10.036 1.00 1.81 N ATOM 0 H ASN A 36 7.093 2.864 -6.157 1.00 0.89 H new ATOM 0 HA ASN A 36 9.246 1.523 -7.502 1.00 1.06 H new ATOM 0 HB2 ASN A 36 8.455 4.443 -7.139 1.00 1.21 H new ATOM 0 HB3 ASN A 36 9.878 3.962 -8.042 1.00 1.21 H new ATOM 0 HD21 ASN A 36 7.826 4.068 -10.899 1.00 1.81 H new ATOM 0 HD22 ASN A 36 9.159 4.788 -9.991 1.00 1.81 H new ATOM 512 N SER A 37 9.882 3.306 -4.800 1.00 0.90 N ATOM 513 CA SER A 37 10.929 3.651 -3.840 1.00 0.98 C ATOM 514 C SER A 37 11.293 2.484 -2.921 1.00 0.84 C ATOM 515 O SER A 37 12.189 2.611 -2.086 1.00 0.94 O ATOM 516 CB SER A 37 10.514 4.867 -3.017 1.00 1.05 C ATOM 517 OG SER A 37 10.334 6.001 -3.853 1.00 1.55 O ATOM 0 H SER A 37 8.959 3.675 -4.571 1.00 0.90 H new ATOM 0 HA SER A 37 11.823 3.892 -4.416 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.588 4.652 -2.483 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.274 5.080 -2.265 1.00 1.05 H new ATOM 0 HG SER A 37 10.066 6.770 -3.308 1.00 1.55 H new ATOM 523 N SER A 38 10.592 1.362 -3.068 1.00 0.67 N ATOM 524 CA SER A 38 10.969 0.130 -2.389 1.00 0.58 C ATOM 525 C SER A 38 12.430 -0.184 -2.726 1.00 0.67 C ATOM 526 O SER A 38 12.794 -0.340 -3.898 1.00 1.22 O ATOM 527 CB SER A 38 10.031 -1.005 -2.808 1.00 0.54 C ATOM 528 OG SER A 38 10.312 -2.197 -2.100 1.00 1.43 O ATOM 0 H SER A 38 9.760 1.283 -3.652 1.00 0.67 H new ATOM 0 HA SER A 38 10.877 0.243 -1.309 1.00 0.58 H new ATOM 0 HB2 SER A 38 8.997 -0.709 -2.629 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.130 -1.184 -3.879 1.00 0.54 H new ATOM 0 HG SER A 38 10.124 -2.064 -1.147 1.00 1.43 H new ATOM 534 N ARG A 39 13.258 -0.233 -1.689 1.00 0.87 N ATOM 535 CA ARG A 39 14.712 -0.255 -1.839 1.00 1.08 C ATOM 536 C ARG A 39 15.211 -1.485 -2.593 1.00 0.84 C ATOM 537 O ARG A 39 16.235 -1.426 -3.269 1.00 1.22 O ATOM 538 CB ARG A 39 15.370 -0.196 -0.458 1.00 1.40 C ATOM 539 CG ARG A 39 16.867 0.068 -0.504 1.00 1.90 C ATOM 540 CD ARG A 39 17.171 1.432 -1.105 1.00 2.25 C ATOM 541 NE ARG A 39 16.535 2.513 -0.352 1.00 2.89 N ATOM 542 CZ ARG A 39 16.423 3.765 -0.790 1.00 3.60 C ATOM 543 NH1 ARG A 39 16.903 4.102 -1.984 1.00 3.87 N ATOM 544 NH2 ARG A 39 15.825 4.681 -0.038 1.00 4.47 N ATOM 0 H ARG A 39 12.942 -0.259 -0.719 1.00 0.87 H new ATOM 0 HA ARG A 39 14.988 0.617 -2.431 1.00 1.08 H new ATOM 0 HB2 ARG A 39 14.890 0.586 0.130 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.192 -1.138 0.060 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.279 0.012 0.504 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.357 -0.708 -1.092 1.00 1.90 H new ATOM 0 HD2 ARG A 39 18.250 1.588 -1.124 1.00 2.25 H new ATOM 0 HD3 ARG A 39 16.827 1.458 -2.139 1.00 2.25 H new ATOM 0 HE ARG A 39 16.153 2.293 0.568 1.00 2.89 H new ATOM 0 HH11 ARG A 39 17.359 3.400 -2.567 1.00 3.87 H new ATOM 0 HH12 ARG A 39 16.815 5.062 -2.316 1.00 3.87 H new ATOM 0 HH21 ARG A 39 15.451 4.426 0.876 1.00 4.47 H new ATOM 0 HH22 ARG A 39 15.739 5.640 -0.374 1.00 4.47 H new ATOM 558 N THR A 40 14.487 -2.584 -2.489 1.00 0.62 N ATOM 559 CA THR A 40 14.940 -3.848 -3.048 1.00 0.70 C ATOM 560 C THR A 40 13.846 -4.897 -2.888 1.00 0.75 C ATOM 561 O THR A 40 12.745 -4.578 -2.453 1.00 0.61 O ATOM 562 CB THR A 40 16.245 -4.313 -2.344 1.00 0.88 C ATOM 563 OG1 THR A 40 16.693 -5.571 -2.856 1.00 1.59 O ATOM 564 CG2 THR A 40 16.048 -4.418 -0.838 1.00 1.25 C ATOM 0 H THR A 40 13.581 -2.629 -2.022 1.00 0.62 H new ATOM 0 HA THR A 40 15.153 -3.715 -4.109 1.00 0.70 H new ATOM 0 HB THR A 40 17.006 -3.560 -2.551 1.00 0.88 H new ATOM 0 HG1 THR A 40 16.761 -5.521 -3.832 1.00 1.59 H new ATOM 0 HG21 THR A 40 16.977 -4.745 -0.371 1.00 1.25 H new ATOM 0 HG22 THR A 40 15.765 -3.444 -0.439 1.00 1.25 H new ATOM 0 HG23 THR A 40 15.260 -5.140 -0.624 1.00 1.25 H new ATOM 572 N THR A 41 14.137 -6.138 -3.230 1.00 1.03 N ATOM 573 CA THR A 41 13.169 -7.205 -3.059 1.00 1.16 C ATOM 574 C THR A 41 13.019 -7.540 -1.582 1.00 1.04 C ATOM 575 O THR A 41 11.937 -7.905 -1.122 1.00 0.97 O ATOM 576 CB THR A 41 13.577 -8.467 -3.821 1.00 1.58 C ATOM 577 OG1 THR A 41 13.882 -8.145 -5.187 1.00 1.79 O ATOM 578 CG2 THR A 41 12.463 -9.505 -3.777 1.00 1.73 C ATOM 0 H THR A 41 15.030 -6.431 -3.626 1.00 1.03 H new ATOM 0 HA THR A 41 12.219 -6.853 -3.462 1.00 1.16 H new ATOM 0 HB THR A 41 14.464 -8.882 -3.342 1.00 1.58 H new ATOM 0 HG1 THR A 41 14.143 -8.960 -5.665 1.00 1.79 H new ATOM 0 HG21 THR A 41 12.773 -10.395 -4.325 1.00 1.73 H new ATOM 0 HG22 THR A 41 12.254 -9.771 -2.741 1.00 1.73 H new ATOM 0 HG23 THR A 41 11.563 -9.093 -4.234 1.00 1.73 H new ATOM 586 N ALA A 42 14.112 -7.411 -0.840 1.00 1.12 N ATOM 587 CA ALA A 42 14.066 -7.546 0.607 1.00 1.18 C ATOM 588 C ALA A 42 13.170 -6.464 1.199 1.00 0.98 C ATOM 589 O ALA A 42 12.652 -6.599 2.307 1.00 1.13 O ATOM 590 CB ALA A 42 15.468 -7.466 1.195 1.00 1.41 C ATOM 0 H ALA A 42 15.039 -7.213 -1.217 1.00 1.12 H new ATOM 0 HA ALA A 42 13.650 -8.521 0.859 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.414 -7.569 2.279 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.081 -8.268 0.784 1.00 1.41 H new ATOM 0 HB3 ALA A 42 15.914 -6.504 0.944 1.00 1.41 H new ATOM 596 N ASP A 43 12.981 -5.400 0.429 1.00 0.74 N ATOM 597 CA ASP A 43 12.089 -4.326 0.811 1.00 0.67 C ATOM 598 C ASP A 43 10.683 -4.690 0.349 1.00 0.64 C ATOM 599 O ASP A 43 9.723 -4.572 1.096 1.00 0.93 O ATOM 600 CB ASP A 43 12.556 -3.024 0.156 1.00 0.63 C ATOM 601 CG ASP A 43 11.914 -1.780 0.734 1.00 1.00 C ATOM 602 OD1 ASP A 43 10.719 -1.539 0.454 1.00 1.72 O ATOM 603 OD2 ASP A 43 12.582 -1.063 1.496 1.00 1.18 O ATOM 0 H ASP A 43 13.441 -5.263 -0.471 1.00 0.74 H new ATOM 0 HA ASP A 43 12.090 -4.185 1.892 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.638 -2.944 0.261 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.341 -3.069 -0.912 1.00 0.63 H new ATOM 608 N ARG A 44 10.609 -5.188 -0.886 1.00 0.54 N ATOM 609 CA ARG A 44 9.353 -5.604 -1.515 1.00 0.61 C ATOM 610 C ARG A 44 8.604 -6.627 -0.666 1.00 0.67 C ATOM 611 O ARG A 44 7.398 -6.502 -0.443 1.00 0.93 O ATOM 612 CB ARG A 44 9.643 -6.204 -2.895 1.00 0.76 C ATOM 613 CG ARG A 44 8.403 -6.647 -3.655 1.00 1.39 C ATOM 614 CD ARG A 44 7.601 -5.457 -4.153 1.00 1.53 C ATOM 615 NE ARG A 44 8.363 -4.656 -5.106 1.00 1.70 N ATOM 616 CZ ARG A 44 8.266 -3.333 -5.214 1.00 2.01 C ATOM 617 NH1 ARG A 44 7.383 -2.665 -4.479 1.00 2.34 N ATOM 618 NH2 ARG A 44 9.042 -2.676 -6.065 1.00 2.70 N ATOM 0 H ARG A 44 11.426 -5.315 -1.484 1.00 0.54 H new ATOM 0 HA ARG A 44 8.722 -4.721 -1.612 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.179 -5.467 -3.494 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.307 -7.060 -2.774 1.00 0.76 H new ATOM 0 HG2 ARG A 44 8.696 -7.269 -4.501 1.00 1.39 H new ATOM 0 HG3 ARG A 44 7.779 -7.263 -3.008 1.00 1.39 H new ATOM 0 HD2 ARG A 44 6.683 -5.808 -4.624 1.00 1.53 H new ATOM 0 HD3 ARG A 44 7.308 -4.835 -3.307 1.00 1.53 H new ATOM 0 HE ARG A 44 9.010 -5.140 -5.728 1.00 1.70 H new ATOM 0 HH11 ARG A 44 6.777 -3.166 -3.830 1.00 2.34 H new ATOM 0 HH12 ARG A 44 7.311 -1.651 -4.564 1.00 2.34 H new ATOM 0 HH21 ARG A 44 9.715 -3.185 -6.639 1.00 2.70 H new ATOM 0 HH22 ARG A 44 8.966 -1.662 -6.146 1.00 2.70 H new ATOM 632 N ARG A 45 9.315 -7.647 -0.211 1.00 0.66 N ATOM 633 CA ARG A 45 8.704 -8.693 0.601 1.00 0.72 C ATOM 634 C ARG A 45 8.149 -8.104 1.889 1.00 0.76 C ATOM 635 O ARG A 45 6.980 -8.295 2.227 1.00 1.28 O ATOM 636 CB ARG A 45 9.718 -9.782 0.953 1.00 0.88 C ATOM 637 CG ARG A 45 10.338 -10.493 -0.234 1.00 1.16 C ATOM 638 CD ARG A 45 11.219 -11.639 0.236 1.00 1.34 C ATOM 639 NE ARG A 45 12.081 -12.161 -0.820 1.00 1.99 N ATOM 640 CZ ARG A 45 12.431 -13.442 -0.925 1.00 2.61 C ATOM 641 NH1 ARG A 45 11.925 -14.349 -0.098 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.284 -13.813 -1.865 1.00 3.54 N ATOM 0 H ARG A 45 10.311 -7.775 -0.388 1.00 0.66 H new ATOM 0 HA ARG A 45 7.897 -9.134 0.016 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.516 -9.335 1.546 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.228 -10.523 1.585 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.554 -10.874 -0.888 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.928 -9.789 -0.820 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.836 -11.299 1.067 1.00 1.34 H new ATOM 0 HD3 ARG A 45 10.589 -12.444 0.615 1.00 1.34 H new ATOM 0 HE ARG A 45 12.436 -11.507 -1.518 1.00 1.99 H new ATOM 0 HH11 ARG A 45 11.263 -14.067 0.625 1.00 2.84 H new ATOM 0 HH12 ARG A 45 12.198 -15.328 -0.185 1.00 2.84 H new ATOM 0 HH21 ARG A 45 13.671 -13.120 -2.505 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.555 -14.793 -1.950 1.00 3.54 H new ATOM 656 N ALA A 46 8.994 -7.356 2.582 1.00 0.51 N ATOM 657 CA ALA A 46 8.651 -6.820 3.888 1.00 0.53 C ATOM 658 C ALA A 46 7.582 -5.736 3.791 1.00 0.44 C ATOM 659 O ALA A 46 6.661 -5.701 4.609 1.00 0.53 O ATOM 660 CB ALA A 46 9.898 -6.289 4.577 1.00 0.64 C ATOM 0 H ALA A 46 9.928 -7.106 2.258 1.00 0.51 H new ATOM 0 HA ALA A 46 8.234 -7.631 4.486 1.00 0.53 H new ATOM 0 HB1 ALA A 46 9.631 -5.889 5.555 1.00 0.64 H new ATOM 0 HB2 ALA A 46 10.618 -7.098 4.700 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.340 -5.499 3.970 1.00 0.64 H new ATOM 666 N VAL A 47 7.695 -4.859 2.795 1.00 0.35 N ATOM 667 CA VAL A 47 6.713 -3.792 2.603 1.00 0.38 C ATOM 668 C VAL A 47 5.328 -4.389 2.395 1.00 0.42 C ATOM 669 O VAL A 47 4.343 -3.871 2.908 1.00 0.50 O ATOM 670 CB VAL A 47 7.079 -2.845 1.423 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.029 -3.550 0.080 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.165 -1.638 1.401 1.00 0.70 C ATOM 0 H VAL A 47 8.452 -4.865 2.112 1.00 0.35 H new ATOM 0 HA VAL A 47 6.717 -3.184 3.508 1.00 0.38 H new ATOM 0 HB VAL A 47 8.106 -2.520 1.590 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.292 -2.847 -0.710 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.736 -4.379 0.078 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.023 -3.931 -0.094 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.438 -0.990 0.569 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.132 -1.966 1.282 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.265 -1.089 2.337 1.00 0.70 H new ATOM 682 N CYS A 48 5.272 -5.507 1.681 1.00 0.44 N ATOM 683 CA CYS A 48 4.018 -6.207 1.463 1.00 0.56 C ATOM 684 C CYS A 48 3.526 -6.811 2.775 1.00 0.59 C ATOM 685 O CYS A 48 2.355 -6.678 3.130 1.00 0.68 O ATOM 686 CB CYS A 48 4.201 -7.291 0.399 1.00 0.68 C ATOM 687 SG CYS A 48 2.673 -8.174 -0.058 1.00 1.78 S ATOM 0 H CYS A 48 6.082 -5.946 1.244 1.00 0.44 H new ATOM 0 HA CYS A 48 3.269 -5.501 1.106 1.00 0.56 H new ATOM 0 HB2 CYS A 48 4.623 -6.835 -0.497 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.930 -8.017 0.760 1.00 0.68 H new ATOM 692 N SER A 49 4.435 -7.443 3.512 1.00 0.59 N ATOM 693 CA SER A 49 4.095 -8.048 4.793 1.00 0.73 C ATOM 694 C SER A 49 3.585 -6.996 5.780 1.00 0.73 C ATOM 695 O SER A 49 2.672 -7.256 6.562 1.00 0.96 O ATOM 696 CB SER A 49 5.308 -8.780 5.365 1.00 0.84 C ATOM 697 OG SER A 49 5.729 -9.816 4.493 1.00 1.41 O ATOM 0 H SER A 49 5.413 -7.549 3.243 1.00 0.59 H new ATOM 0 HA SER A 49 3.293 -8.769 4.631 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.124 -8.075 5.520 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.059 -9.198 6.340 1.00 0.84 H new ATOM 0 HG SER A 49 6.158 -9.425 3.703 1.00 1.41 H new ATOM 703 N CYS A 50 4.167 -5.806 5.735 1.00 0.57 N ATOM 704 CA CYS A 50 3.719 -4.714 6.585 1.00 0.60 C ATOM 705 C CYS A 50 2.417 -4.117 6.061 1.00 0.55 C ATOM 706 O CYS A 50 1.477 -3.901 6.829 1.00 0.59 O ATOM 707 CB CYS A 50 4.795 -3.630 6.696 1.00 0.63 C ATOM 708 SG CYS A 50 4.216 -2.058 7.433 1.00 1.11 S ATOM 0 H CYS A 50 4.948 -5.573 5.121 1.00 0.57 H new ATOM 0 HA CYS A 50 3.536 -5.119 7.580 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.620 -4.015 7.295 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.191 -3.426 5.701 1.00 0.63 H new ATOM 713 N LEU A 51 2.339 -3.876 4.750 1.00 0.51 N ATOM 714 CA LEU A 51 1.158 -3.231 4.190 1.00 0.55 C ATOM 715 C LEU A 51 -0.077 -4.121 4.342 1.00 0.63 C ATOM 716 O LEU A 51 -1.188 -3.618 4.502 1.00 0.63 O ATOM 717 CB LEU A 51 1.359 -2.798 2.721 1.00 0.66 C ATOM 718 CG LEU A 51 1.538 -3.899 1.665 1.00 0.77 C ATOM 719 CD1 LEU A 51 0.199 -4.478 1.224 1.00 1.33 C ATOM 720 CD2 LEU A 51 2.286 -3.339 0.466 1.00 1.33 C ATOM 0 H LEU A 51 3.064 -4.113 4.073 1.00 0.51 H new ATOM 0 HA LEU A 51 0.995 -2.318 4.763 1.00 0.55 H new ATOM 0 HB2 LEU A 51 0.501 -2.192 2.430 1.00 0.66 H new ATOM 0 HB3 LEU A 51 2.235 -2.150 2.680 1.00 0.66 H new ATOM 0 HG LEU A 51 2.115 -4.708 2.113 1.00 0.77 H new ATOM 0 HD11 LEU A 51 0.366 -5.254 0.477 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.313 -4.908 2.085 1.00 1.33 H new ATOM 0 HD13 LEU A 51 -0.416 -3.687 0.794 1.00 1.33 H new ATOM 0 HD21 LEU A 51 2.412 -4.122 -0.282 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.718 -2.514 0.036 1.00 1.33 H new ATOM 0 HD23 LEU A 51 3.265 -2.979 0.783 1.00 1.33 H new ATOM 732 N LYS A 52 0.116 -5.442 4.314 1.00 0.80 N ATOM 733 CA LYS A 52 -1.005 -6.367 4.441 1.00 0.99 C ATOM 734 C LYS A 52 -1.506 -6.409 5.883 1.00 0.92 C ATOM 735 O LYS A 52 -2.663 -6.742 6.137 1.00 1.02 O ATOM 736 CB LYS A 52 -0.637 -7.775 3.949 1.00 1.32 C ATOM 737 CG LYS A 52 0.296 -8.552 4.863 1.00 1.40 C ATOM 738 CD LYS A 52 0.637 -9.909 4.263 1.00 1.78 C ATOM 739 CE LYS A 52 1.509 -10.744 5.188 1.00 1.79 C ATOM 740 NZ LYS A 52 0.779 -11.184 6.407 1.00 2.30 N ATOM 0 H LYS A 52 1.027 -5.888 4.206 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.810 -6.000 3.805 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.554 -8.349 3.818 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.172 -7.690 2.967 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.210 -7.982 5.026 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -0.173 -8.688 5.838 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -0.284 -10.451 4.048 1.00 1.78 H new ATOM 0 HD3 LYS A 52 1.152 -9.765 3.313 1.00 1.78 H new ATOM 0 HE2 LYS A 52 1.873 -11.619 4.649 1.00 1.79 H new ATOM 0 HE3 LYS A 52 2.384 -10.164 5.481 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 1.373 -11.845 6.947 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 0.557 -10.356 6.997 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 -0.104 -11.658 6.130 1.00 2.30 H new ATOM 754 N ALA A 53 -0.636 -6.057 6.828 1.00 0.88 N ATOM 755 CA ALA A 53 -1.058 -5.930 8.215 1.00 0.95 C ATOM 756 C ALA A 53 -1.769 -4.615 8.412 1.00 0.91 C ATOM 757 O ALA A 53 -2.663 -4.515 9.236 1.00 1.10 O ATOM 758 CB ALA A 53 0.100 -6.022 9.187 1.00 1.06 C ATOM 0 H ALA A 53 0.350 -5.858 6.659 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.729 -6.763 8.423 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.272 -5.921 10.207 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.593 -6.987 9.075 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.813 -5.224 8.980 1.00 1.06 H new ATOM 764 N ALA A 54 -1.359 -3.607 7.657 1.00 0.79 N ATOM 765 CA ALA A 54 -2.027 -2.318 7.684 1.00 0.87 C ATOM 766 C ALA A 54 -3.419 -2.445 7.082 1.00 0.94 C ATOM 767 O ALA A 54 -4.393 -1.934 7.629 1.00 1.16 O ATOM 768 CB ALA A 54 -1.206 -1.274 6.938 1.00 0.89 C ATOM 0 H ALA A 54 -0.566 -3.659 7.018 1.00 0.79 H new ATOM 0 HA ALA A 54 -2.124 -1.991 8.719 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -1.723 -0.315 6.969 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -0.228 -1.175 7.410 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -1.079 -1.584 5.901 1.00 0.89 H new ATOM 774 N ALA A 55 -3.504 -3.166 5.966 1.00 0.88 N ATOM 775 CA ALA A 55 -4.777 -3.436 5.310 1.00 0.97 C ATOM 776 C ALA A 55 -5.586 -4.470 6.092 1.00 0.96 C ATOM 777 O ALA A 55 -6.756 -4.708 5.802 1.00 1.07 O ATOM 778 CB ALA A 55 -4.545 -3.913 3.884 1.00 1.11 C ATOM 0 H ALA A 55 -2.697 -3.576 5.495 1.00 0.88 H new ATOM 0 HA ALA A 55 -5.349 -2.509 5.282 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.504 -4.111 3.406 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -4.013 -3.143 3.325 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.951 -4.827 3.898 1.00 1.11 H new ATOM 784 N GLY A 56 -4.943 -5.091 7.073 1.00 0.96 N ATOM 785 CA GLY A 56 -5.625 -6.035 7.935 1.00 1.05 C ATOM 786 C GLY A 56 -5.888 -5.447 9.305 1.00 0.99 C ATOM 787 O GLY A 56 -6.637 -6.011 10.103 1.00 1.08 O ATOM 0 H GLY A 56 -3.955 -4.956 7.287 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.569 -6.330 7.478 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -5.023 -6.938 8.035 1.00 1.05 H new ATOM 791 N ALA A 57 -5.269 -4.302 9.576 1.00 0.98 N ATOM 792 CA ALA A 57 -5.437 -3.615 10.847 1.00 1.11 C ATOM 793 C ALA A 57 -6.553 -2.584 10.737 1.00 1.10 C ATOM 794 O ALA A 57 -6.878 -1.890 11.701 1.00 1.53 O ATOM 795 CB ALA A 57 -4.147 -2.926 11.269 1.00 1.34 C ATOM 0 H ALA A 57 -4.642 -3.829 8.925 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.697 -4.357 11.602 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -4.300 -2.420 12.222 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.356 -3.668 11.375 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.860 -2.196 10.512 1.00 1.34 H new ATOM 801 N VAL A 58 -7.114 -2.485 9.537 1.00 0.89 N ATOM 802 CA VAL A 58 -8.089 -1.456 9.205 1.00 1.10 C ATOM 803 C VAL A 58 -9.356 -1.544 10.055 1.00 1.08 C ATOM 804 O VAL A 58 -9.926 -2.620 10.251 1.00 1.78 O ATOM 805 CB VAL A 58 -8.476 -1.507 7.710 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.307 -1.063 6.842 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.939 -2.902 7.312 1.00 2.36 C ATOM 0 H VAL A 58 -6.904 -3.119 8.766 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.601 -0.506 9.423 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.307 -0.819 7.552 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.597 -1.105 5.792 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -7.029 -0.041 7.101 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.457 -1.724 7.010 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.205 -2.909 6.255 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -8.135 -3.616 7.489 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.809 -3.180 7.907 1.00 2.36 H new ATOM 817 N ARG A 59 -9.775 -0.393 10.561 1.00 0.92 N ATOM 818 CA ARG A 59 -10.997 -0.276 11.330 1.00 1.16 C ATOM 819 C ARG A 59 -11.884 0.813 10.727 1.00 1.18 C ATOM 820 O ARG A 59 -11.647 2.006 10.931 1.00 1.83 O ATOM 821 CB ARG A 59 -10.647 0.047 12.781 1.00 1.63 C ATOM 822 CG ARG A 59 -11.839 0.383 13.653 1.00 2.16 C ATOM 823 CD ARG A 59 -11.378 0.824 15.028 1.00 2.64 C ATOM 824 NE ARG A 59 -10.881 -0.296 15.824 1.00 3.01 N ATOM 825 CZ ARG A 59 -9.851 -0.215 16.666 1.00 3.85 C ATOM 826 NH1 ARG A 59 -9.151 0.910 16.763 1.00 4.30 N ATOM 827 NH2 ARG A 59 -9.500 -1.274 17.384 1.00 4.65 N ATOM 0 H ARG A 59 -9.272 0.487 10.447 1.00 0.92 H new ATOM 0 HA ARG A 59 -11.547 -1.217 11.302 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -10.124 -0.806 13.214 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -9.953 0.887 12.796 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -12.427 1.174 13.188 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -12.490 -0.487 13.742 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -10.592 1.572 14.924 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -12.206 1.302 15.552 1.00 2.64 H new ATOM 0 HE ARG A 59 -11.352 -1.196 15.729 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -9.401 1.717 16.192 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -8.364 0.967 17.409 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -10.018 -2.148 17.291 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -8.712 -1.214 18.029 1.00 4.65 H new ATOM 841 N GLY A 60 -12.876 0.398 9.946 1.00 1.26 N ATOM 842 CA GLY A 60 -13.764 1.348 9.297 1.00 1.50 C ATOM 843 C GLY A 60 -13.180 1.861 7.999 1.00 1.68 C ATOM 844 O GLY A 60 -13.631 2.871 7.460 1.00 2.01 O ATOM 0 H GLY A 60 -13.082 -0.582 9.750 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.725 0.873 9.101 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -13.953 2.186 9.968 1.00 1.50 H new ATOM 848 N ILE A 61 -12.181 1.154 7.498 1.00 1.67 N ATOM 849 CA ILE A 61 -11.455 1.572 6.311 1.00 1.93 C ATOM 850 C ILE A 61 -12.105 1.032 5.047 1.00 1.67 C ATOM 851 O ILE A 61 -12.887 1.720 4.391 1.00 2.21 O ATOM 852 CB ILE A 61 -9.976 1.112 6.386 1.00 2.53 C ATOM 853 CG1 ILE A 61 -9.267 1.765 7.583 1.00 3.45 C ATOM 854 CG2 ILE A 61 -9.222 1.406 5.092 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.133 3.268 7.480 1.00 3.54 C ATOM 0 H ILE A 61 -11.851 0.277 7.901 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.486 2.661 6.272 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.978 0.031 6.525 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -9.816 1.522 8.493 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -8.273 1.329 7.684 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -8.190 1.068 5.187 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.701 0.882 4.265 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -9.236 2.479 4.898 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.622 3.649 8.364 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -8.557 3.522 6.590 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -10.124 3.718 7.411 1.00 3.54 H new ATOM 867 N ASN A 62 -11.772 -0.217 4.779 1.00 1.52 N ATOM 868 CA ASN A 62 -12.158 -0.977 3.591 1.00 1.54 C ATOM 869 C ASN A 62 -11.023 -0.978 2.586 1.00 1.47 C ATOM 870 O ASN A 62 -10.751 0.022 1.919 1.00 1.53 O ATOM 871 CB ASN A 62 -13.457 -0.501 2.937 1.00 1.94 C ATOM 872 CG ASN A 62 -14.688 -1.081 3.602 1.00 2.79 C ATOM 873 OD1 ASN A 62 -14.647 -2.185 4.145 1.00 3.22 O ATOM 874 ND2 ASN A 62 -15.788 -0.350 3.560 1.00 3.41 N ATOM 0 H ASN A 62 -11.193 -0.764 5.416 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.358 -1.993 3.931 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.504 0.587 2.979 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.452 -0.779 1.883 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -16.647 -0.696 3.988 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -15.778 0.560 3.100 1.00 3.41 H new ATOM 881 N PRO A 63 -10.346 -2.125 2.465 1.00 1.67 N ATOM 882 CA PRO A 63 -9.175 -2.259 1.613 1.00 1.87 C ATOM 883 C PRO A 63 -9.544 -2.220 0.141 1.00 1.64 C ATOM 884 O PRO A 63 -8.676 -2.170 -0.724 1.00 1.59 O ATOM 885 CB PRO A 63 -8.565 -3.608 1.986 1.00 2.43 C ATOM 886 CG PRO A 63 -9.485 -4.249 2.974 1.00 2.38 C ATOM 887 CD PRO A 63 -10.699 -3.380 3.135 1.00 2.01 C ATOM 0 HA PRO A 63 -8.477 -1.435 1.763 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -8.450 -4.236 1.103 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -7.571 -3.476 2.414 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -9.774 -5.243 2.632 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -8.981 -4.376 3.932 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -11.578 -3.838 2.681 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -10.933 -3.216 4.187 1.00 2.01 H new ATOM 895 N ASN A 64 -10.840 -2.260 -0.125 1.00 1.59 N ATOM 896 CA ASN A 64 -11.364 -1.979 -1.457 1.00 1.51 C ATOM 897 C ASN A 64 -10.830 -0.635 -1.944 1.00 1.16 C ATOM 898 O ASN A 64 -10.468 -0.482 -3.106 1.00 1.11 O ATOM 899 CB ASN A 64 -12.898 -1.949 -1.428 1.00 1.72 C ATOM 900 CG ASN A 64 -13.523 -1.676 -2.787 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.576 -1.045 -2.877 1.00 3.10 O ATOM 902 ND2 ASN A 64 -12.905 -2.164 -3.850 1.00 2.83 N ATOM 0 H ASN A 64 -11.554 -2.486 0.567 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.041 -2.766 -2.139 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -13.266 -2.904 -1.053 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -13.226 -1.183 -0.725 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -13.300 -2.022 -4.780 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -12.034 -2.682 -3.740 1.00 2.83 H new ATOM 909 N ASN A 65 -10.752 0.325 -1.028 1.00 0.99 N ATOM 910 CA ASN A 65 -10.256 1.655 -1.351 1.00 0.74 C ATOM 911 C ASN A 65 -8.737 1.640 -1.446 1.00 0.69 C ATOM 912 O ASN A 65 -8.141 2.394 -2.208 1.00 0.60 O ATOM 913 CB ASN A 65 -10.697 2.654 -0.286 1.00 0.74 C ATOM 914 CG ASN A 65 -12.206 2.735 -0.140 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.946 2.551 -1.106 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.671 2.996 1.071 1.00 1.13 N ATOM 0 H ASN A 65 -11.027 0.204 -0.053 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.669 1.956 -2.314 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.259 2.373 0.672 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.308 3.641 -0.537 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.677 3.051 1.230 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.023 3.142 1.845 1.00 1.13 H new ATOM 923 N ALA A 66 -8.119 0.756 -0.675 1.00 0.93 N ATOM 924 CA ALA A 66 -6.669 0.623 -0.670 1.00 1.07 C ATOM 925 C ALA A 66 -6.189 -0.070 -1.937 1.00 1.02 C ATOM 926 O ALA A 66 -5.072 0.153 -2.391 1.00 1.05 O ATOM 927 CB ALA A 66 -6.207 -0.136 0.566 1.00 1.43 C ATOM 0 H ALA A 66 -8.602 0.118 -0.042 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.233 1.622 -0.642 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -5.121 -0.226 0.553 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -6.516 0.404 1.461 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -6.653 -1.130 0.570 1.00 1.43 H new ATOM 933 N GLU A 67 -7.043 -0.912 -2.502 1.00 1.07 N ATOM 934 CA GLU A 67 -6.739 -1.592 -3.753 1.00 1.12 C ATOM 935 C GLU A 67 -7.158 -0.715 -4.933 1.00 0.94 C ATOM 936 O GLU A 67 -6.661 -0.868 -6.050 1.00 1.00 O ATOM 937 CB GLU A 67 -7.449 -2.950 -3.795 1.00 1.50 C ATOM 938 CG GLU A 67 -7.045 -3.833 -4.963 1.00 1.80 C ATOM 939 CD GLU A 67 -7.666 -5.215 -4.887 1.00 2.05 C ATOM 940 OE1 GLU A 67 -8.856 -5.362 -5.243 1.00 2.41 O ATOM 941 OE2 GLU A 67 -6.968 -6.161 -4.472 1.00 2.41 O ATOM 0 H GLU A 67 -7.957 -1.141 -2.111 1.00 1.07 H new ATOM 0 HA GLU A 67 -5.665 -1.768 -3.821 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -7.245 -3.482 -2.866 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -8.525 -2.783 -3.837 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -7.343 -3.355 -5.896 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -5.959 -3.927 -4.985 1.00 1.80 H new ATOM 948 N ALA A 68 -8.065 0.217 -4.664 1.00 0.86 N ATOM 949 CA ALA A 68 -8.446 1.232 -5.638 1.00 0.92 C ATOM 950 C ALA A 68 -7.373 2.312 -5.705 1.00 0.89 C ATOM 951 O ALA A 68 -7.214 3.000 -6.715 1.00 1.14 O ATOM 952 CB ALA A 68 -9.788 1.839 -5.253 1.00 1.00 C ATOM 0 H ALA A 68 -8.554 0.290 -3.772 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.540 0.771 -6.621 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -10.068 2.597 -5.985 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.548 1.058 -5.231 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.711 2.297 -4.267 1.00 1.00 H new ATOM 958 N LEU A 69 -6.635 2.432 -4.609 1.00 0.79 N ATOM 959 CA LEU A 69 -5.567 3.414 -4.463 1.00 1.01 C ATOM 960 C LEU A 69 -4.518 3.318 -5.587 1.00 1.08 C ATOM 961 O LEU A 69 -4.204 4.331 -6.215 1.00 1.37 O ATOM 962 CB LEU A 69 -4.912 3.233 -3.093 1.00 1.16 C ATOM 963 CG LEU A 69 -3.826 4.239 -2.734 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.402 5.646 -2.677 1.00 2.29 C ATOM 965 CD2 LEU A 69 -3.192 3.858 -1.408 1.00 1.96 C ATOM 0 H LEU A 69 -6.762 1.843 -3.786 1.00 0.79 H new ATOM 0 HA LEU A 69 -6.006 4.409 -4.540 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.690 3.281 -2.331 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.482 2.232 -3.047 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.056 4.224 -3.505 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -3.613 6.352 -2.419 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.820 5.908 -3.649 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -5.187 5.688 -1.922 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.416 4.580 -1.155 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.953 3.856 -0.628 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.751 2.864 -1.488 1.00 1.96 H new ATOM 977 N PRO A 70 -3.958 2.113 -5.871 1.00 0.88 N ATOM 978 CA PRO A 70 -2.988 1.933 -6.960 1.00 0.91 C ATOM 979 C PRO A 70 -3.525 2.419 -8.305 1.00 1.02 C ATOM 980 O PRO A 70 -2.759 2.836 -9.175 1.00 1.20 O ATOM 981 CB PRO A 70 -2.759 0.420 -6.999 1.00 0.77 C ATOM 982 CG PRO A 70 -3.102 -0.054 -5.634 1.00 0.78 C ATOM 983 CD PRO A 70 -4.197 0.849 -5.151 1.00 0.78 C ATOM 0 HA PRO A 70 -2.080 2.510 -6.786 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -3.388 -0.055 -7.752 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.725 0.183 -7.251 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -3.431 -1.093 -5.652 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -2.236 -0.006 -4.974 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.181 0.440 -5.378 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.152 0.990 -4.071 1.00 0.78 H new ATOM 991 N GLY A 71 -4.840 2.367 -8.463 1.00 1.06 N ATOM 992 CA GLY A 71 -5.459 2.826 -9.687 1.00 1.36 C ATOM 993 C GLY A 71 -5.482 4.339 -9.778 1.00 1.09 C ATOM 994 O GLY A 71 -5.204 4.907 -10.832 1.00 1.18 O ATOM 0 H GLY A 71 -5.490 2.013 -7.761 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.918 2.419 -10.542 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.478 2.444 -9.744 1.00 1.36 H new ATOM 998 N LYS A 72 -5.790 4.986 -8.660 1.00 0.90 N ATOM 999 CA LYS A 72 -5.886 6.439 -8.614 1.00 0.78 C ATOM 1000 C LYS A 72 -4.524 7.088 -8.824 1.00 0.73 C ATOM 1001 O LYS A 72 -4.406 8.089 -9.530 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.477 6.900 -7.276 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.807 6.245 -6.931 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.806 6.383 -8.067 1.00 1.40 C ATOM 1005 CE LYS A 72 -9.129 7.837 -8.368 1.00 2.07 C ATOM 1006 NZ LYS A 72 -9.960 8.459 -7.303 1.00 2.61 N ATOM 0 H LYS A 72 -5.978 4.524 -7.770 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.547 6.750 -9.423 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.762 6.688 -6.482 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.612 7.981 -7.303 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.648 5.189 -6.711 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -8.215 6.701 -6.029 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.405 5.908 -8.962 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.723 5.854 -7.809 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -8.201 8.399 -8.477 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -9.655 7.901 -9.321 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.184 9.440 -7.566 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.842 7.920 -7.192 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -9.435 8.453 -6.405 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.496 6.503 -8.223 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.149 7.056 -8.304 1.00 0.63 C ATOM 1022 C CYS A 73 -1.423 6.548 -9.551 1.00 0.62 C ATOM 1023 O CYS A 73 -0.232 6.802 -9.737 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.381 6.712 -7.025 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.257 7.243 -5.517 1.00 1.65 S ATOM 0 H CYS A 73 -3.568 5.646 -7.674 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.210 8.141 -8.392 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.214 5.636 -6.984 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.400 7.185 -7.056 1.00 0.72 H new ATOM 1030 N GLY A 74 -2.161 5.829 -10.397 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.656 5.418 -11.696 1.00 0.67 C ATOM 1032 C GLY A 74 -0.449 4.512 -11.616 1.00 0.66 C ATOM 1033 O GLY A 74 0.552 4.742 -12.293 1.00 0.96 O ATOM 0 H GLY A 74 -3.113 5.521 -10.200 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.450 4.905 -12.240 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.396 6.305 -12.273 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.536 3.479 -10.795 1.00 0.55 N ATOM 1038 CA VAL A 75 0.550 2.522 -10.679 1.00 0.61 C ATOM 1039 C VAL A 75 0.070 1.099 -10.963 1.00 0.80 C ATOM 1040 O VAL A 75 0.106 0.653 -12.112 1.00 1.70 O ATOM 1041 CB VAL A 75 1.262 2.595 -9.303 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.409 3.588 -9.351 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.305 2.984 -8.181 1.00 0.51 C ATOM 0 H VAL A 75 -1.343 3.283 -10.202 1.00 0.55 H new ATOM 0 HA VAL A 75 1.285 2.796 -11.436 1.00 0.61 H new ATOM 0 HB VAL A 75 1.645 1.597 -9.091 1.00 0.63 H new ATOM 0 HG11 VAL A 75 2.898 3.627 -8.377 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.130 3.275 -10.107 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.024 4.576 -9.604 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.848 3.022 -7.237 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -0.125 3.963 -8.393 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.493 2.245 -8.111 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.394 0.412 -9.916 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.904 -0.963 -10.006 1.00 0.90 C ATOM 1055 C ASN A 76 0.223 -1.956 -10.313 1.00 0.81 C ATOM 1056 O ASN A 76 1.070 -1.723 -11.176 1.00 0.99 O ATOM 1057 CB ASN A 76 -2.029 -1.075 -11.047 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.937 -2.270 -10.805 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -2.516 -3.291 -10.262 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -4.198 -2.149 -11.201 1.00 2.31 N ATOM 0 H ASN A 76 -0.427 0.796 -8.972 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.322 -1.220 -9.032 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -2.625 -0.162 -11.031 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -1.591 -1.153 -12.042 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -4.853 -2.918 -11.058 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -4.512 -1.287 -11.648 1.00 2.31 H new ATOM 1067 N ILE A 77 0.226 -3.063 -9.579 1.00 0.78 N ATOM 1068 CA ILE A 77 1.264 -4.085 -9.695 1.00 0.91 C ATOM 1069 C ILE A 77 0.631 -5.477 -9.756 1.00 0.85 C ATOM 1070 O ILE A 77 -0.579 -5.614 -9.547 1.00 0.82 O ATOM 1071 CB ILE A 77 2.281 -4.028 -8.515 1.00 1.19 C ATOM 1072 CG1 ILE A 77 1.580 -4.087 -7.143 1.00 1.12 C ATOM 1073 CG2 ILE A 77 3.163 -2.792 -8.623 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.918 -2.794 -6.698 1.00 1.17 C ATOM 0 H ILE A 77 -0.491 -3.279 -8.886 1.00 0.78 H new ATOM 0 HA ILE A 77 1.810 -3.884 -10.617 1.00 0.91 H new ATOM 0 HB ILE A 77 2.914 -4.912 -8.589 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.824 -4.872 -7.173 1.00 1.12 H new ATOM 0 HG13 ILE A 77 2.313 -4.379 -6.391 1.00 1.12 H new ATOM 0 HG21 ILE A 77 3.865 -2.772 -7.790 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.715 -2.820 -9.562 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.541 -1.897 -8.595 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.454 -2.940 -5.723 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.668 -2.006 -6.629 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.156 -2.507 -7.423 1.00 1.17 H new ATOM 1086 N PRO A 78 1.425 -6.526 -10.074 1.00 0.96 N ATOM 1087 CA PRO A 78 0.939 -7.914 -10.107 1.00 1.03 C ATOM 1088 C PRO A 78 0.194 -8.311 -8.835 1.00 0.91 C ATOM 1089 O PRO A 78 -0.957 -8.744 -8.898 1.00 1.28 O ATOM 1090 CB PRO A 78 2.218 -8.734 -10.260 1.00 1.24 C ATOM 1091 CG PRO A 78 3.154 -7.824 -10.971 1.00 1.35 C ATOM 1092 CD PRO A 78 2.848 -6.442 -10.462 1.00 1.15 C ATOM 0 HA PRO A 78 0.217 -8.070 -10.909 1.00 1.03 H new ATOM 0 HB2 PRO A 78 2.616 -9.036 -9.291 1.00 1.24 H new ATOM 0 HB3 PRO A 78 2.040 -9.646 -10.830 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.191 -8.094 -10.770 1.00 1.35 H new ATOM 0 HG3 PRO A 78 3.013 -7.883 -12.050 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.480 -6.177 -9.615 1.00 1.15 H new ATOM 0 HD3 PRO A 78 3.011 -5.686 -11.230 1.00 1.15 H new ATOM 1100 N TYR A 79 0.838 -8.159 -7.682 1.00 0.89 N ATOM 1101 CA TYR A 79 0.176 -8.441 -6.415 1.00 0.80 C ATOM 1102 C TYR A 79 -0.787 -7.312 -6.079 1.00 0.85 C ATOM 1103 O TYR A 79 -0.722 -6.235 -6.668 1.00 1.07 O ATOM 1104 CB TYR A 79 1.192 -8.646 -5.281 1.00 0.91 C ATOM 1105 CG TYR A 79 2.054 -7.441 -4.957 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.555 -6.379 -4.208 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.375 -7.377 -5.382 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.351 -5.295 -3.888 1.00 1.13 C ATOM 1109 CE2 TYR A 79 4.174 -6.295 -5.070 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.657 -5.256 -4.326 1.00 1.10 C ATOM 1111 OH TYR A 79 4.458 -4.181 -4.005 1.00 1.38 O ATOM 0 H TYR A 79 1.805 -7.846 -7.599 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.383 -9.371 -6.519 1.00 0.80 H new ATOM 0 HB2 TYR A 79 0.652 -8.939 -4.380 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.844 -9.478 -5.546 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.529 -6.402 -3.871 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.784 -8.188 -5.967 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.952 -4.483 -3.298 1.00 1.13 H new ATOM 0 HE2 TYR A 79 5.199 -6.263 -5.407 1.00 0.99 H new ATOM 0 HH TYR A 79 4.176 -3.808 -3.144 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.681 -7.549 -5.135 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.682 -6.557 -4.787 1.00 1.11 C ATOM 1123 C LYS A 80 -2.679 -6.276 -3.298 1.00 1.06 C ATOM 1124 O LYS A 80 -1.886 -6.848 -2.553 1.00 1.49 O ATOM 1125 CB LYS A 80 -4.070 -7.019 -5.226 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.219 -7.149 -6.730 1.00 2.02 C ATOM 1127 CD LYS A 80 -3.895 -5.845 -7.432 1.00 2.55 C ATOM 1128 CE LYS A 80 -4.009 -5.983 -8.945 1.00 3.04 C ATOM 1129 NZ LYS A 80 -3.065 -7.002 -9.479 1.00 3.48 N ATOM 0 H LYS A 80 -1.734 -8.415 -4.599 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.432 -5.635 -5.312 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -4.287 -7.982 -4.763 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.813 -6.313 -4.855 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.559 -7.935 -7.096 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.238 -7.451 -6.972 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -4.573 -5.065 -7.084 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -2.885 -5.530 -7.169 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -5.030 -6.259 -9.209 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -3.808 -5.020 -9.414 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -3.124 -7.019 -10.517 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -2.095 -6.761 -9.191 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -3.316 -7.939 -9.103 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.573 -5.393 -2.875 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.683 -5.020 -1.476 1.00 1.19 C ATOM 1145 C ILE A 81 -4.526 -6.048 -0.732 1.00 1.22 C ATOM 1146 O ILE A 81 -4.505 -6.123 0.498 1.00 1.37 O ATOM 1147 CB ILE A 81 -4.307 -3.613 -1.325 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -3.554 -2.603 -2.199 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -4.296 -3.161 0.130 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -2.081 -2.488 -1.874 1.00 2.55 C ATOM 0 H ILE A 81 -4.237 -4.920 -3.488 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.681 -4.995 -1.047 1.00 1.19 H new ATOM 0 HB ILE A 81 -5.344 -3.665 -1.655 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -3.664 -2.890 -3.245 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -4.018 -1.623 -2.087 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -4.741 -2.169 0.206 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -4.871 -3.863 0.734 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -3.269 -3.127 0.493 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -1.619 -1.755 -2.535 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -1.961 -2.170 -0.838 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -1.601 -3.456 -2.015 1.00 2.55 H new ATOM 1162 N SER A 82 -5.268 -6.843 -1.496 1.00 1.31 N ATOM 1163 CA SER A 82 -6.039 -7.938 -0.928 1.00 1.50 C ATOM 1164 C SER A 82 -5.101 -8.899 -0.202 1.00 1.47 C ATOM 1165 O SER A 82 -4.083 -9.327 -0.755 1.00 1.81 O ATOM 1166 CB SER A 82 -6.815 -8.670 -2.026 1.00 1.79 C ATOM 1167 OG SER A 82 -7.722 -9.618 -1.487 1.00 2.45 O ATOM 0 H SER A 82 -5.350 -6.748 -2.508 1.00 1.31 H new ATOM 0 HA SER A 82 -6.759 -7.537 -0.214 1.00 1.50 H new ATOM 0 HB2 SER A 82 -7.362 -7.945 -2.629 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.115 -9.175 -2.692 1.00 1.79 H new ATOM 0 HG SER A 82 -8.201 -10.064 -2.216 1.00 2.45 H new ATOM 1173 N THR A 83 -5.456 -9.240 1.028 1.00 1.47 N ATOM 1174 CA THR A 83 -4.591 -10.014 1.909 1.00 1.50 C ATOM 1175 C THR A 83 -4.561 -11.503 1.549 1.00 1.59 C ATOM 1176 O THR A 83 -4.448 -12.366 2.423 1.00 1.72 O ATOM 1177 CB THR A 83 -5.042 -9.835 3.371 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.469 -9.657 3.427 1.00 2.04 O ATOM 1179 CG2 THR A 83 -4.355 -8.638 4.001 1.00 1.68 C ATOM 0 H THR A 83 -6.352 -8.988 1.445 1.00 1.47 H new ATOM 0 HA THR A 83 -3.577 -9.635 1.781 1.00 1.50 H new ATOM 0 HB THR A 83 -4.765 -10.731 3.927 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.901 -10.281 2.807 1.00 2.04 H new ATOM 0 HG21 THR A 83 -4.687 -8.529 5.033 1.00 1.68 H new ATOM 0 HG22 THR A 83 -3.275 -8.786 3.981 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.608 -7.737 3.442 1.00 1.68 H new ATOM 1187 N SER A 84 -4.637 -11.798 0.260 1.00 1.68 N ATOM 1188 CA SER A 84 -4.604 -13.169 -0.219 1.00 1.82 C ATOM 1189 C SER A 84 -3.259 -13.494 -0.872 1.00 1.55 C ATOM 1190 O SER A 84 -2.945 -14.658 -1.122 1.00 1.77 O ATOM 1191 CB SER A 84 -5.747 -13.390 -1.210 1.00 2.22 C ATOM 1192 OG SER A 84 -5.740 -12.397 -2.224 1.00 2.76 O ATOM 0 H SER A 84 -4.723 -11.099 -0.478 1.00 1.68 H new ATOM 0 HA SER A 84 -4.728 -13.839 0.632 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.655 -14.377 -1.662 1.00 2.22 H new ATOM 0 HB3 SER A 84 -6.700 -13.369 -0.682 1.00 2.22 H new ATOM 0 HG SER A 84 -6.479 -12.560 -2.847 1.00 2.76 H new ATOM 1198 N THR A 85 -2.466 -12.466 -1.141 1.00 1.28 N ATOM 1199 CA THR A 85 -1.178 -12.654 -1.793 1.00 1.11 C ATOM 1200 C THR A 85 -0.107 -13.034 -0.764 1.00 0.96 C ATOM 1201 O THR A 85 -0.161 -12.614 0.396 1.00 1.52 O ATOM 1202 CB THR A 85 -0.757 -11.387 -2.585 1.00 1.30 C ATOM 1203 OG1 THR A 85 0.466 -11.610 -3.304 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.590 -10.183 -1.668 1.00 0.91 C ATOM 0 H THR A 85 -2.691 -11.496 -0.919 1.00 1.28 H new ATOM 0 HA THR A 85 -1.278 -13.472 -2.507 1.00 1.11 H new ATOM 0 HB THR A 85 -1.557 -11.177 -3.295 1.00 1.30 H new ATOM 0 HG1 THR A 85 1.028 -10.809 -3.250 1.00 2.05 H new ATOM 0 HG21 THR A 85 -0.295 -9.315 -2.257 1.00 0.91 H new ATOM 0 HG22 THR A 85 -1.534 -9.976 -1.164 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.179 -10.395 -0.925 1.00 0.91 H new ATOM 1212 N ASN A 86 0.842 -13.862 -1.183 1.00 1.23 N ATOM 1213 CA ASN A 86 1.914 -14.303 -0.302 1.00 1.36 C ATOM 1214 C ASN A 86 3.154 -13.444 -0.509 1.00 1.10 C ATOM 1215 O ASN A 86 3.930 -13.661 -1.443 1.00 1.53 O ATOM 1216 CB ASN A 86 2.237 -15.781 -0.539 1.00 1.81 C ATOM 1217 CG ASN A 86 3.399 -16.269 0.309 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.672 -15.740 1.387 1.00 3.05 O ATOM 1219 ND2 ASN A 86 4.090 -17.290 -0.171 1.00 2.73 N ATOM 0 H ASN A 86 0.890 -14.241 -2.129 1.00 1.23 H new ATOM 0 HA ASN A 86 1.581 -14.190 0.730 1.00 1.36 H new ATOM 0 HB2 ASN A 86 1.354 -16.382 -0.319 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.472 -15.933 -1.592 1.00 1.81 H new ATOM 0 HD21 ASN A 86 4.879 -17.665 0.356 1.00 2.73 H new ATOM 0 HD22 ASN A 86 3.834 -17.702 -1.068 1.00 2.73 H new ATOM 1226 N CYS A 87 3.329 -12.476 0.376 1.00 0.87 N ATOM 1227 CA CYS A 87 4.395 -11.483 0.261 1.00 0.72 C ATOM 1228 C CYS A 87 5.781 -12.102 0.411 1.00 0.83 C ATOM 1229 O CYS A 87 6.775 -11.530 -0.033 1.00 1.10 O ATOM 1230 CB CYS A 87 4.198 -10.407 1.324 1.00 0.90 C ATOM 1231 SG CYS A 87 2.536 -9.662 1.317 1.00 1.71 S ATOM 0 H CYS A 87 2.737 -12.353 1.197 1.00 0.87 H new ATOM 0 HA CYS A 87 4.338 -11.049 -0.737 1.00 0.72 H new ATOM 0 HB2 CYS A 87 4.387 -10.841 2.306 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.939 -9.621 1.174 1.00 0.90 H new ATOM 1236 N ASN A 88 5.848 -13.278 1.010 1.00 0.91 N ATOM 1237 CA ASN A 88 7.128 -13.924 1.264 1.00 1.09 C ATOM 1238 C ASN A 88 7.603 -14.678 0.029 1.00 1.10 C ATOM 1239 O ASN A 88 8.586 -15.416 0.075 1.00 1.24 O ATOM 1240 CB ASN A 88 7.018 -14.875 2.457 1.00 1.38 C ATOM 1241 CG ASN A 88 6.517 -14.176 3.705 1.00 2.04 C ATOM 1242 OD1 ASN A 88 5.315 -14.136 3.968 1.00 2.76 O ATOM 1243 ND2 ASN A 88 7.430 -13.603 4.472 1.00 2.55 N ATOM 0 H ASN A 88 5.035 -13.805 1.329 1.00 0.91 H new ATOM 0 HA ASN A 88 7.861 -13.152 1.500 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.343 -15.693 2.206 1.00 1.38 H new ATOM 0 HB3 ASN A 88 7.994 -15.317 2.658 1.00 1.38 H new ATOM 0 HD21 ASN A 88 7.147 -13.105 5.316 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.417 -13.659 4.219 1.00 2.55 H new ATOM 1250 N SER A 89 6.901 -14.487 -1.080 1.00 1.12 N ATOM 1251 CA SER A 89 7.241 -15.144 -2.323 1.00 1.29 C ATOM 1252 C SER A 89 6.862 -14.254 -3.496 1.00 1.42 C ATOM 1253 O SER A 89 6.738 -14.718 -4.629 1.00 2.21 O ATOM 1254 CB SER A 89 6.527 -16.493 -2.426 1.00 1.53 C ATOM 1255 OG SER A 89 6.896 -17.349 -1.357 1.00 2.11 O ATOM 0 H SER A 89 6.087 -13.876 -1.138 1.00 1.12 H new ATOM 0 HA SER A 89 8.316 -15.322 -2.346 1.00 1.29 H new ATOM 0 HB2 SER A 89 5.448 -16.339 -2.416 1.00 1.53 H new ATOM 0 HB3 SER A 89 6.773 -16.966 -3.377 1.00 1.53 H new ATOM 0 HG SER A 89 6.425 -18.204 -1.445 1.00 2.11 H new ATOM 1261 N ILE A 90 6.678 -12.970 -3.220 1.00 1.14 N ATOM 1262 CA ILE A 90 6.374 -12.023 -4.275 1.00 1.35 C ATOM 1263 C ILE A 90 7.654 -11.556 -4.944 1.00 1.76 C ATOM 1264 O ILE A 90 8.759 -11.821 -4.458 1.00 2.17 O ATOM 1265 CB ILE A 90 5.605 -10.778 -3.775 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.421 -10.031 -2.720 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.236 -11.160 -3.231 1.00 1.14 C ATOM 1268 CD1 ILE A 90 5.788 -8.734 -2.275 1.00 0.97 C ATOM 0 H ILE A 90 6.734 -12.567 -2.285 1.00 1.14 H new ATOM 0 HA ILE A 90 5.733 -12.553 -4.979 1.00 1.35 H new ATOM 0 HB ILE A 90 5.451 -10.113 -4.624 1.00 1.10 H new ATOM 0 HG12 ILE A 90 6.556 -10.677 -1.852 1.00 1.08 H new ATOM 0 HG13 ILE A 90 7.413 -9.823 -3.120 1.00 1.08 H new ATOM 0 HG21 ILE A 90 3.718 -10.265 -2.887 1.00 1.14 H new ATOM 0 HG22 ILE A 90 3.652 -11.637 -4.018 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.356 -11.853 -2.398 1.00 1.14 H new ATOM 0 HD11 ILE A 90 6.421 -8.258 -1.526 1.00 0.97 H new ATOM 0 HD12 ILE A 90 5.678 -8.070 -3.132 1.00 0.97 H new ATOM 0 HD13 ILE A 90 4.807 -8.937 -1.845 1.00 0.97 H new