USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 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 88 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.168 K(o=-0.26,f=-0.84) USER MOD Set 2.2: A 37 SER OG : rot 180:sc= -0.0896 USER MOD Set 3.1: A 1 MET N :NH3+ -131:sc= 0.365 (180deg=-0.875!) USER MOD Set 3.2: A 5 GLN : amide:sc= -1.15 K(o=-0.78,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 157:sc= -1.9! (180deg=-2.23!) USER MOD Single : A 2 THR OG1 : rot 132:sc= 0.818 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 9 ASN : amide:sc= -2.67! C(o=-2.7!,f=-8.1!) USER MOD Single : A 12 GLN : amide:sc= -0.562 K(o=-0.56,f=-4.9!) USER MOD Single : A 18 GLN : amide:sc= -0.747 K(o=-0.75,f=0) 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 78:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -2:sc= -1.58! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 65 ASN : amide:sc= 0.233 K(o=0.23,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0167) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0395 (180deg=-0.22) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00019 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 86 ASN : amide:sc= -0.579 K(o=-0.58,f=-2.3) USER MOD Single : A 91 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.457 -0.823 4.637 1.00 1.70 N ATOM 2 CA MET A 1 11.131 -1.169 5.194 1.00 1.61 C ATOM 3 C MET A 1 11.187 -1.177 6.704 1.00 0.88 C ATOM 4 O MET A 1 12.006 -1.865 7.306 1.00 1.16 O ATOM 5 CB MET A 1 10.683 -2.535 4.676 1.00 2.50 C ATOM 6 CG MET A 1 9.182 -2.758 4.738 1.00 2.77 C ATOM 7 SD MET A 1 8.548 -2.995 6.407 1.00 2.91 S ATOM 8 CE MET A 1 9.392 -4.495 6.907 1.00 2.61 C ATOM 0 H1 MET A 1 12.349 -0.076 3.921 1.00 1.70 H new ATOM 0 H2 MET A 1 13.076 -0.484 5.400 1.00 1.70 H new ATOM 0 H3 MET A 1 12.879 -1.666 4.197 1.00 1.70 H new ATOM 0 HA MET A 1 10.409 -0.418 4.874 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.014 -2.647 3.644 1.00 2.50 H new ATOM 0 HB3 MET A 1 11.180 -3.313 5.256 1.00 2.50 H new ATOM 0 HG2 MET A 1 8.679 -1.903 4.287 1.00 2.77 H new ATOM 0 HG3 MET A 1 8.929 -3.631 4.136 1.00 2.77 H new ATOM 0 HE1 MET A 1 9.434 -4.543 7.995 1.00 2.61 H new ATOM 0 HE2 MET A 1 8.851 -5.361 6.526 1.00 2.61 H new ATOM 0 HE3 MET A 1 10.405 -4.494 6.505 1.00 2.61 H new ATOM 20 N THR A 2 10.312 -0.398 7.314 1.00 0.65 N ATOM 21 CA THR A 2 10.273 -0.299 8.761 1.00 1.13 C ATOM 22 C THR A 2 8.906 -0.658 9.302 1.00 1.10 C ATOM 23 O THR A 2 8.666 -0.611 10.507 1.00 1.86 O ATOM 24 CB THR A 2 10.631 1.118 9.222 1.00 1.75 C ATOM 25 OG1 THR A 2 9.882 2.066 8.454 1.00 2.36 O ATOM 26 CG2 THR A 2 12.123 1.392 9.082 1.00 2.63 C ATOM 0 H THR A 2 9.620 0.174 6.830 1.00 0.65 H new ATOM 0 HA THR A 2 11.007 -1.006 9.148 1.00 1.13 H new ATOM 0 HB THR A 2 10.378 1.212 10.278 1.00 1.75 H new ATOM 0 HG1 THR A 2 9.470 2.721 9.055 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.340 2.406 9.418 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.682 0.681 9.690 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.416 1.286 8.038 1.00 2.63 H new ATOM 34 N CYS A 3 8.015 -0.995 8.384 1.00 0.81 N ATOM 35 CA CYS A 3 6.602 -1.248 8.670 1.00 0.69 C ATOM 36 C CYS A 3 5.896 0.066 9.004 1.00 0.65 C ATOM 37 O CYS A 3 4.688 0.206 8.821 1.00 0.79 O ATOM 38 CB CYS A 3 6.427 -2.289 9.782 1.00 0.76 C ATOM 39 SG CYS A 3 4.848 -3.190 9.690 1.00 0.70 S ATOM 0 H CYS A 3 8.253 -1.104 7.398 1.00 0.81 H new ATOM 0 HA CYS A 3 6.138 -1.669 7.778 1.00 0.69 H new ATOM 0 HB2 CYS A 3 7.248 -3.004 9.732 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.497 -1.791 10.749 1.00 0.76 H new ATOM 44 N GLY A 4 6.674 1.040 9.452 1.00 0.57 N ATOM 45 CA GLY A 4 6.175 2.385 9.608 1.00 0.56 C ATOM 46 C GLY A 4 6.316 3.120 8.300 1.00 0.51 C ATOM 47 O GLY A 4 5.530 4.006 7.978 1.00 0.53 O ATOM 0 H GLY A 4 7.653 0.917 9.712 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.130 2.364 9.917 1.00 0.56 H new ATOM 0 HA3 GLY A 4 6.729 2.903 10.391 1.00 0.56 H new ATOM 51 N GLN A 5 7.348 2.732 7.554 1.00 0.52 N ATOM 52 CA GLN A 5 7.499 3.116 6.163 1.00 0.51 C ATOM 53 C GLN A 5 6.254 2.711 5.395 1.00 0.46 C ATOM 54 O GLN A 5 5.622 3.531 4.735 1.00 0.52 O ATOM 55 CB GLN A 5 8.733 2.422 5.577 1.00 0.60 C ATOM 56 CG GLN A 5 8.820 2.441 4.059 1.00 0.62 C ATOM 57 CD GLN A 5 10.012 1.655 3.552 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.053 1.609 4.207 1.00 1.25 O ATOM 59 NE2 GLN A 5 9.858 0.986 2.412 1.00 0.96 N ATOM 0 H GLN A 5 8.102 2.141 7.903 1.00 0.52 H new ATOM 0 HA GLN A 5 7.629 4.195 6.086 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.626 2.897 5.983 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.743 1.385 5.914 1.00 0.60 H new ATOM 0 HG2 GLN A 5 7.905 2.025 3.638 1.00 0.62 H new ATOM 0 HG3 GLN A 5 8.891 3.472 3.712 1.00 0.62 H new ATOM 0 HE21 GLN A 5 8.979 1.050 1.898 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.619 0.409 2.052 1.00 0.96 H new ATOM 68 N VAL A 6 5.892 1.436 5.521 1.00 0.43 N ATOM 69 CA VAL A 6 4.718 0.902 4.827 1.00 0.44 C ATOM 70 C VAL A 6 3.448 1.615 5.274 1.00 0.44 C ATOM 71 O VAL A 6 2.614 1.994 4.452 1.00 0.49 O ATOM 72 CB VAL A 6 4.535 -0.604 5.085 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.404 -1.165 4.243 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.815 -1.359 4.818 1.00 1.12 C ATOM 0 H VAL A 6 6.391 0.755 6.094 1.00 0.43 H new ATOM 0 HA VAL A 6 4.890 1.068 3.764 1.00 0.44 H new ATOM 0 HB VAL A 6 4.276 -0.731 6.136 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.295 -2.231 4.444 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.475 -0.652 4.493 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.628 -1.016 3.187 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.658 -2.421 5.008 1.00 1.12 H new ATOM 0 HG22 VAL A 6 6.111 -1.216 3.779 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.601 -0.986 5.474 1.00 1.12 H new ATOM 84 N GLN A 7 3.310 1.792 6.582 1.00 0.47 N ATOM 85 CA GLN A 7 2.134 2.431 7.148 1.00 0.54 C ATOM 86 C GLN A 7 2.062 3.894 6.713 1.00 0.58 C ATOM 87 O GLN A 7 0.983 4.480 6.670 1.00 0.70 O ATOM 88 CB GLN A 7 2.157 2.309 8.674 1.00 0.66 C ATOM 89 CG GLN A 7 0.862 2.735 9.345 1.00 0.98 C ATOM 90 CD GLN A 7 0.838 2.398 10.820 1.00 1.27 C ATOM 91 OE1 GLN A 7 1.874 2.369 11.484 1.00 1.97 O ATOM 92 NE2 GLN A 7 -0.346 2.141 11.348 1.00 1.69 N ATOM 0 H GLN A 7 4.003 1.500 7.271 1.00 0.47 H new ATOM 0 HA GLN A 7 1.241 1.928 6.777 1.00 0.54 H new ATOM 0 HB2 GLN A 7 2.371 1.275 8.943 1.00 0.66 H new ATOM 0 HB3 GLN A 7 2.974 2.915 9.065 1.00 0.66 H new ATOM 0 HG2 GLN A 7 0.727 3.809 9.218 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.022 2.247 8.850 1.00 0.98 H new ATOM 0 HE21 GLN A 7 -1.182 2.175 10.765 1.00 1.69 H new ATOM 0 HE22 GLN A 7 -0.423 1.909 12.338 1.00 1.69 H new ATOM 101 N GLY A 8 3.215 4.469 6.364 1.00 0.60 N ATOM 102 CA GLY A 8 3.252 5.831 5.861 1.00 0.70 C ATOM 103 C GLY A 8 2.469 5.980 4.571 1.00 0.66 C ATOM 104 O GLY A 8 1.871 7.026 4.316 1.00 0.82 O ATOM 0 H GLY A 8 4.125 4.012 6.422 1.00 0.60 H new ATOM 0 HA2 GLY A 8 2.844 6.507 6.613 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.287 6.128 5.693 1.00 0.70 H new ATOM 108 N ASN A 9 2.472 4.924 3.760 1.00 0.58 N ATOM 109 CA ASN A 9 1.664 4.869 2.543 1.00 0.63 C ATOM 110 C ASN A 9 0.193 5.109 2.877 1.00 0.62 C ATOM 111 O ASN A 9 -0.420 6.070 2.408 1.00 0.78 O ATOM 112 CB ASN A 9 1.843 3.505 1.863 1.00 0.75 C ATOM 113 CG ASN A 9 0.881 3.292 0.710 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.427 4.238 0.086 1.00 1.86 O ATOM 115 ND2 ASN A 9 0.573 2.038 0.415 1.00 1.86 N ATOM 0 H ASN A 9 3.031 4.087 3.926 1.00 0.58 H new ATOM 0 HA ASN A 9 1.995 5.650 1.859 1.00 0.63 H new ATOM 0 HB2 ASN A 9 2.866 3.418 1.497 1.00 0.75 H new ATOM 0 HB3 ASN A 9 1.700 2.715 2.600 1.00 0.75 H new ATOM 0 HD21 ASN A 9 -0.063 1.837 -0.356 1.00 1.86 H new ATOM 0 HD22 ASN A 9 0.972 1.273 0.959 1.00 1.86 H new ATOM 122 N LEU A 10 -0.352 4.259 3.737 1.00 0.56 N ATOM 123 CA LEU A 10 -1.765 4.318 4.074 1.00 0.66 C ATOM 124 C LEU A 10 -2.081 5.536 4.937 1.00 0.65 C ATOM 125 O LEU A 10 -3.209 6.009 4.948 1.00 0.72 O ATOM 126 CB LEU A 10 -2.214 3.036 4.785 1.00 0.89 C ATOM 127 CG LEU A 10 -2.286 1.777 3.909 1.00 1.00 C ATOM 128 CD1 LEU A 10 -0.896 1.237 3.600 1.00 1.45 C ATOM 129 CD2 LEU A 10 -3.137 0.709 4.580 1.00 1.73 C ATOM 0 H LEU A 10 0.165 3.520 4.214 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.318 4.410 3.139 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.530 2.842 5.611 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -3.198 3.210 5.220 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.754 2.053 2.964 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -0.982 0.346 2.978 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -0.321 1.996 3.069 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -0.389 0.983 4.531 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -3.177 -0.176 3.945 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -2.698 0.446 5.542 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -4.146 1.091 4.734 1.00 1.73 H new ATOM 141 N ALA A 11 -1.076 6.051 5.640 1.00 0.62 N ATOM 142 CA ALA A 11 -1.257 7.206 6.518 1.00 0.69 C ATOM 143 C ALA A 11 -1.744 8.430 5.743 1.00 0.63 C ATOM 144 O ALA A 11 -2.479 9.261 6.273 1.00 0.72 O ATOM 145 CB ALA A 11 0.040 7.529 7.244 1.00 0.77 C ATOM 0 H ALA A 11 -0.124 5.686 5.619 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.021 6.947 7.250 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.112 8.391 7.893 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.344 6.672 7.844 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.818 7.756 6.515 1.00 0.77 H new ATOM 151 N GLN A 12 -1.324 8.543 4.490 1.00 0.56 N ATOM 152 CA GLN A 12 -1.765 9.643 3.643 1.00 0.53 C ATOM 153 C GLN A 12 -3.081 9.292 2.976 1.00 0.52 C ATOM 154 O GLN A 12 -3.961 10.135 2.806 1.00 0.60 O ATOM 155 CB GLN A 12 -0.732 9.945 2.558 1.00 0.56 C ATOM 156 CG GLN A 12 0.681 10.124 3.078 1.00 0.52 C ATOM 157 CD GLN A 12 0.884 11.400 3.878 1.00 1.30 C ATOM 158 OE1 GLN A 12 -0.024 11.887 4.557 1.00 2.18 O ATOM 159 NE2 GLN A 12 2.078 11.962 3.791 1.00 1.88 N ATOM 0 H GLN A 12 -0.682 7.891 4.040 1.00 0.56 H new ATOM 0 HA GLN A 12 -1.889 10.522 4.276 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.739 9.134 1.829 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.030 10.851 2.030 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.939 9.269 3.704 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.371 10.121 2.235 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.804 11.530 3.220 1.00 1.88 H new ATOM 0 HE22 GLN A 12 2.272 12.827 4.295 1.00 1.88 H new ATOM 168 N CYS A 13 -3.203 8.033 2.606 1.00 0.52 N ATOM 169 CA CYS A 13 -4.326 7.572 1.819 1.00 0.56 C ATOM 170 C CYS A 13 -5.573 7.366 2.662 1.00 0.53 C ATOM 171 O CYS A 13 -6.679 7.400 2.138 1.00 0.56 O ATOM 172 CB CYS A 13 -3.939 6.284 1.110 1.00 0.69 C ATOM 173 SG CYS A 13 -2.500 6.487 0.018 1.00 1.23 S ATOM 0 H CYS A 13 -2.529 7.305 2.842 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.569 8.341 1.086 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.720 5.517 1.853 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -4.787 5.928 0.524 1.00 0.69 H new ATOM 178 N ILE A 14 -5.386 7.182 3.969 1.00 0.58 N ATOM 179 CA ILE A 14 -6.487 6.937 4.905 1.00 0.67 C ATOM 180 C ILE A 14 -7.641 7.929 4.719 1.00 0.67 C ATOM 181 O ILE A 14 -8.808 7.554 4.826 1.00 0.77 O ATOM 182 CB ILE A 14 -5.990 6.975 6.372 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.605 5.559 6.837 1.00 0.98 C ATOM 184 CG2 ILE A 14 -7.033 7.601 7.293 1.00 1.04 C ATOM 185 CD1 ILE A 14 -5.089 5.502 8.259 1.00 1.11 C ATOM 0 H ILE A 14 -4.467 7.198 4.411 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.867 5.940 4.683 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.101 7.604 6.420 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.476 4.909 6.750 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -4.842 5.162 6.167 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.655 7.613 8.315 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.238 8.621 6.970 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.952 7.016 7.253 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -4.839 4.472 8.514 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.199 6.125 8.348 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.858 5.868 8.940 1.00 1.11 H new ATOM 197 N GLY A 15 -7.315 9.179 4.410 1.00 0.66 N ATOM 198 CA GLY A 15 -8.348 10.196 4.264 1.00 0.76 C ATOM 199 C GLY A 15 -9.331 9.900 3.140 1.00 0.86 C ATOM 200 O GLY A 15 -10.438 10.432 3.110 1.00 1.45 O ATOM 0 H GLY A 15 -6.362 9.508 4.258 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.896 10.285 5.202 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -7.875 11.160 4.079 1.00 0.76 H new ATOM 204 N PHE A 16 -8.925 9.041 2.223 1.00 0.61 N ATOM 205 CA PHE A 16 -9.790 8.556 1.157 1.00 0.60 C ATOM 206 C PHE A 16 -10.099 7.082 1.391 1.00 0.60 C ATOM 207 O PHE A 16 -11.201 6.602 1.141 1.00 0.69 O ATOM 208 CB PHE A 16 -9.088 8.749 -0.188 1.00 0.59 C ATOM 209 CG PHE A 16 -9.548 7.803 -1.266 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.720 8.049 -1.966 1.00 0.73 C ATOM 211 CD2 PHE A 16 -8.808 6.679 -1.585 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.140 7.190 -2.963 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.225 5.815 -2.580 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.397 6.044 -3.243 1.00 0.91 C ATOM 0 H PHE A 16 -7.981 8.656 2.195 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.726 9.115 1.150 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.249 9.773 -0.526 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.014 8.626 -0.046 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.311 8.922 -1.729 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -7.893 6.474 -1.050 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.039 7.405 -3.522 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.622 4.956 -2.834 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.747 5.339 -3.982 1.00 0.91 H new ATOM 224 N LEU A 17 -9.090 6.397 1.889 1.00 0.56 N ATOM 225 CA LEU A 17 -9.127 4.970 2.169 1.00 0.67 C ATOM 226 C LEU A 17 -10.226 4.623 3.183 1.00 0.79 C ATOM 227 O LEU A 17 -10.817 3.547 3.131 1.00 0.87 O ATOM 228 CB LEU A 17 -7.751 4.595 2.719 1.00 0.74 C ATOM 229 CG LEU A 17 -7.435 3.121 2.848 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.551 2.440 1.503 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.042 2.926 3.430 1.00 1.43 C ATOM 0 H LEU A 17 -8.194 6.827 2.118 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.357 4.411 1.262 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -6.996 5.047 2.076 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.645 5.050 3.704 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.157 2.667 3.527 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -7.321 1.380 1.611 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.566 2.554 1.124 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.849 2.894 0.803 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.830 1.860 3.517 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.305 3.391 2.774 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.992 3.387 4.416 1.00 1.43 H new ATOM 243 N GLN A 18 -10.485 5.537 4.107 1.00 0.87 N ATOM 244 CA GLN A 18 -11.479 5.334 5.132 1.00 1.07 C ATOM 245 C GLN A 18 -12.790 6.017 4.752 1.00 1.09 C ATOM 246 O GLN A 18 -13.855 5.400 4.759 1.00 1.20 O ATOM 247 CB GLN A 18 -10.953 5.911 6.444 1.00 1.25 C ATOM 248 CG GLN A 18 -11.937 5.807 7.580 1.00 1.08 C ATOM 249 CD GLN A 18 -11.486 6.550 8.825 1.00 1.33 C ATOM 250 OE1 GLN A 18 -12.307 7.032 9.603 1.00 1.73 O ATOM 251 NE2 GLN A 18 -10.180 6.652 9.021 1.00 2.00 N ATOM 0 H GLN A 18 -10.008 6.437 4.161 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.672 4.267 5.243 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -10.035 5.391 6.719 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.693 6.959 6.293 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.900 6.202 7.257 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -12.090 4.756 7.826 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -9.530 6.238 8.352 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.824 7.144 9.841 1.00 2.00 H new ATOM 260 N LYS A 19 -12.690 7.295 4.416 1.00 1.06 N ATOM 261 CA LYS A 19 -13.856 8.120 4.117 1.00 1.21 C ATOM 262 C LYS A 19 -14.436 7.814 2.739 1.00 1.34 C ATOM 263 O LYS A 19 -15.609 7.460 2.609 1.00 2.08 O ATOM 264 CB LYS A 19 -13.466 9.590 4.192 1.00 1.41 C ATOM 265 CG LYS A 19 -13.053 10.030 5.582 1.00 1.98 C ATOM 266 CD LYS A 19 -12.309 11.349 5.538 1.00 2.69 C ATOM 267 CE LYS A 19 -13.156 12.461 4.940 1.00 3.29 C ATOM 268 NZ LYS A 19 -12.371 13.704 4.720 1.00 4.09 N ATOM 0 H LYS A 19 -11.801 7.790 4.343 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.625 7.893 4.856 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.645 9.777 3.500 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.307 10.199 3.860 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -13.936 10.128 6.213 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -12.420 9.267 6.035 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -12.005 11.628 6.547 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -11.398 11.232 4.951 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -13.577 12.126 3.992 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -13.994 12.675 5.603 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -12.987 14.436 4.311 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -11.990 14.039 5.628 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -11.586 13.508 4.067 1.00 4.09 H new ATOM 282 N GLY A 20 -13.609 7.956 1.716 1.00 1.18 N ATOM 283 CA GLY A 20 -14.070 7.792 0.354 1.00 1.47 C ATOM 284 C GLY A 20 -14.185 9.125 -0.358 1.00 1.29 C ATOM 285 O GLY A 20 -14.572 10.125 0.251 1.00 1.99 O ATOM 0 H GLY A 20 -12.619 8.184 1.806 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.380 7.146 -0.189 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -15.039 7.294 0.354 1.00 1.47 H new ATOM 289 N GLY A 21 -13.841 9.151 -1.638 1.00 1.10 N ATOM 290 CA GLY A 21 -13.907 10.384 -2.399 1.00 1.37 C ATOM 291 C GLY A 21 -12.785 10.505 -3.402 1.00 1.26 C ATOM 292 O GLY A 21 -12.722 9.753 -4.375 1.00 1.79 O ATOM 0 H GLY A 21 -13.517 8.340 -2.164 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.863 10.435 -2.920 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -13.871 11.232 -1.715 1.00 1.37 H new ATOM 296 N VAL A 22 -11.891 11.448 -3.158 1.00 1.14 N ATOM 297 CA VAL A 22 -10.800 11.718 -4.075 1.00 1.00 C ATOM 298 C VAL A 22 -9.461 11.281 -3.486 1.00 0.82 C ATOM 299 O VAL A 22 -9.286 11.248 -2.264 1.00 0.87 O ATOM 300 CB VAL A 22 -10.735 13.217 -4.442 1.00 1.11 C ATOM 301 CG1 VAL A 22 -12.034 13.670 -5.089 1.00 1.92 C ATOM 302 CG2 VAL A 22 -10.418 14.064 -3.216 1.00 1.28 C ATOM 0 H VAL A 22 -11.901 12.041 -2.328 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.994 11.141 -4.979 1.00 1.00 H new ATOM 0 HB VAL A 22 -9.930 13.353 -5.164 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.966 14.729 -5.339 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -12.209 13.093 -5.997 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -12.860 13.513 -4.395 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -10.378 15.115 -3.501 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -11.194 13.921 -2.464 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -9.455 13.762 -2.805 1.00 1.28 H new ATOM 312 N VAL A 23 -8.521 10.939 -4.358 1.00 0.71 N ATOM 313 CA VAL A 23 -7.194 10.527 -3.929 1.00 0.58 C ATOM 314 C VAL A 23 -6.217 11.690 -4.036 1.00 0.54 C ATOM 315 O VAL A 23 -6.045 12.272 -5.107 1.00 0.58 O ATOM 316 CB VAL A 23 -6.665 9.336 -4.763 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.257 8.947 -4.335 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.600 8.146 -4.642 1.00 0.69 C ATOM 0 H VAL A 23 -8.655 10.939 -5.369 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.276 10.208 -2.890 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.627 9.649 -5.807 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.912 8.108 -4.939 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.587 9.795 -4.476 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.263 8.660 -3.284 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.213 7.317 -5.235 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.670 7.843 -3.597 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.589 8.422 -5.007 1.00 0.69 H new ATOM 328 N PRO A 24 -5.579 12.052 -2.919 1.00 0.54 N ATOM 329 CA PRO A 24 -4.608 13.142 -2.892 1.00 0.58 C ATOM 330 C PRO A 24 -3.250 12.728 -3.458 1.00 0.55 C ATOM 331 O PRO A 24 -2.811 11.591 -3.273 1.00 0.47 O ATOM 332 CB PRO A 24 -4.495 13.456 -1.402 1.00 0.67 C ATOM 333 CG PRO A 24 -4.777 12.160 -0.720 1.00 0.81 C ATOM 334 CD PRO A 24 -5.758 11.428 -1.594 1.00 0.59 C ATOM 0 HA PRO A 24 -4.918 13.989 -3.504 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.502 13.828 -1.150 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -5.209 14.224 -1.104 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.863 11.581 -0.592 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -5.191 12.326 0.275 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.548 10.359 -1.623 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.780 11.542 -1.232 1.00 0.59 H new ATOM 342 N PRO A 25 -2.555 13.655 -4.144 1.00 0.65 N ATOM 343 CA PRO A 25 -1.202 13.410 -4.674 1.00 0.67 C ATOM 344 C PRO A 25 -0.204 13.083 -3.561 1.00 0.66 C ATOM 345 O PRO A 25 0.893 12.581 -3.810 1.00 0.71 O ATOM 346 CB PRO A 25 -0.834 14.733 -5.355 1.00 0.81 C ATOM 347 CG PRO A 25 -2.134 15.419 -5.600 1.00 1.03 C ATOM 348 CD PRO A 25 -3.039 15.005 -4.478 1.00 0.81 C ATOM 0 HA PRO A 25 -1.175 12.554 -5.348 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.184 15.335 -4.720 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.298 14.560 -6.288 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -2.006 16.501 -5.619 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -2.552 15.130 -6.565 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.964 15.683 -3.628 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.085 14.994 -4.786 1.00 0.81 H new ATOM 356 N SER A 26 -0.620 13.343 -2.333 1.00 0.68 N ATOM 357 CA SER A 26 0.174 13.053 -1.152 1.00 0.73 C ATOM 358 C SER A 26 0.161 11.557 -0.923 1.00 0.65 C ATOM 359 O SER A 26 1.200 10.917 -0.768 1.00 0.68 O ATOM 360 CB SER A 26 -0.435 13.759 0.052 1.00 0.83 C ATOM 361 OG SER A 26 -0.789 15.092 -0.279 1.00 0.91 O ATOM 0 H SER A 26 -1.526 13.765 -2.127 1.00 0.68 H new ATOM 0 HA SER A 26 1.198 13.401 -1.290 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.317 13.216 0.391 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.276 13.760 0.878 1.00 0.83 H new ATOM 0 HG SER A 26 -1.180 15.531 0.505 1.00 0.91 H new ATOM 367 N CYS A 27 -1.053 11.021 -0.915 1.00 0.58 N ATOM 368 CA CYS A 27 -1.281 9.591 -0.910 1.00 0.55 C ATOM 369 C CYS A 27 -0.510 8.960 -2.053 1.00 0.47 C ATOM 370 O CYS A 27 0.236 8.005 -1.863 1.00 0.48 O ATOM 371 CB CYS A 27 -2.781 9.332 -1.084 1.00 0.57 C ATOM 372 SG CYS A 27 -3.229 7.613 -1.504 1.00 0.74 S ATOM 0 H CYS A 27 -1.910 11.575 -0.912 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.943 9.156 0.031 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -3.291 9.608 -0.161 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.159 9.991 -1.866 1.00 0.57 H new ATOM 377 N CYS A 28 -0.660 9.550 -3.229 1.00 0.42 N ATOM 378 CA CYS A 28 -0.036 9.037 -4.434 1.00 0.40 C ATOM 379 C CYS A 28 1.480 9.033 -4.343 1.00 0.45 C ATOM 380 O CYS A 28 2.149 8.207 -4.966 1.00 0.50 O ATOM 381 CB CYS A 28 -0.515 9.822 -5.647 1.00 0.45 C ATOM 382 SG CYS A 28 -2.220 9.396 -6.090 1.00 1.40 S ATOM 0 H CYS A 28 -1.215 10.394 -3.372 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.340 7.996 -4.546 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.449 10.890 -5.439 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.142 9.621 -6.493 1.00 0.45 H new ATOM 387 N THR A 29 2.020 9.940 -3.553 1.00 0.51 N ATOM 388 CA THR A 29 3.444 9.975 -3.313 1.00 0.58 C ATOM 389 C THR A 29 3.835 8.890 -2.308 1.00 0.54 C ATOM 390 O THR A 29 4.885 8.260 -2.434 1.00 0.56 O ATOM 391 CB THR A 29 3.880 11.362 -2.800 1.00 0.72 C ATOM 392 OG1 THR A 29 3.633 12.354 -3.804 1.00 0.79 O ATOM 393 CG2 THR A 29 5.349 11.379 -2.414 1.00 0.77 C ATOM 0 H THR A 29 1.490 10.663 -3.067 1.00 0.51 H new ATOM 0 HA THR A 29 3.956 9.785 -4.256 1.00 0.58 H new ATOM 0 HB THR A 29 3.294 11.586 -1.908 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.679 12.576 -3.817 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.620 12.373 -2.057 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.526 10.649 -1.624 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.957 11.127 -3.283 1.00 0.77 H new ATOM 401 N GLY A 30 2.965 8.657 -1.333 1.00 0.54 N ATOM 402 CA GLY A 30 3.223 7.647 -0.322 1.00 0.57 C ATOM 403 C GLY A 30 3.170 6.239 -0.885 1.00 0.47 C ATOM 404 O GLY A 30 3.975 5.385 -0.510 1.00 0.51 O ATOM 0 H GLY A 30 2.080 9.152 -1.224 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.204 7.822 0.121 1.00 0.57 H new ATOM 0 HA3 GLY A 30 2.490 7.743 0.479 1.00 0.57 H new ATOM 408 N VAL A 31 2.226 5.988 -1.787 1.00 0.41 N ATOM 409 CA VAL A 31 2.136 4.682 -2.431 1.00 0.44 C ATOM 410 C VAL A 31 3.345 4.473 -3.328 1.00 0.39 C ATOM 411 O VAL A 31 3.993 3.428 -3.293 1.00 0.40 O ATOM 412 CB VAL A 31 0.862 4.521 -3.290 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.594 3.051 -3.548 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.348 5.169 -2.640 1.00 0.65 C ATOM 0 H VAL A 31 1.521 6.662 -2.086 1.00 0.41 H new ATOM 0 HA VAL A 31 2.099 3.941 -1.632 1.00 0.44 H new ATOM 0 HB VAL A 31 1.035 5.031 -4.237 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.306 2.946 -4.154 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.441 2.614 -4.077 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.454 2.535 -2.598 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.221 5.032 -3.278 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.531 4.707 -1.670 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.161 6.234 -2.505 1.00 0.65 H new ATOM 424 N LYS A 32 3.645 5.492 -4.125 1.00 0.40 N ATOM 425 CA LYS A 32 4.807 5.476 -5.001 1.00 0.46 C ATOM 426 C LYS A 32 6.084 5.252 -4.184 1.00 0.44 C ATOM 427 O LYS A 32 7.071 4.708 -4.683 1.00 0.49 O ATOM 428 CB LYS A 32 4.883 6.799 -5.765 1.00 0.58 C ATOM 429 CG LYS A 32 5.885 6.812 -6.909 1.00 1.05 C ATOM 430 CD LYS A 32 5.841 8.134 -7.661 1.00 1.14 C ATOM 431 CE LYS A 32 4.463 8.389 -8.252 1.00 1.31 C ATOM 432 NZ LYS A 32 4.357 9.746 -8.851 1.00 1.54 N ATOM 0 H LYS A 32 3.092 6.347 -4.181 1.00 0.40 H new ATOM 0 HA LYS A 32 4.712 4.657 -5.714 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.895 7.032 -6.162 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.140 7.594 -5.065 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.889 6.645 -6.519 1.00 1.05 H new ATOM 0 HG3 LYS A 32 5.669 5.993 -7.595 1.00 1.05 H new ATOM 0 HD2 LYS A 32 6.105 8.948 -6.986 1.00 1.14 H new ATOM 0 HD3 LYS A 32 6.585 8.126 -8.458 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.251 7.639 -9.014 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.708 8.276 -7.474 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 3.403 9.879 -9.242 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.534 10.463 -8.119 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 5.060 9.846 -9.611 1.00 1.54 H new ATOM 446 N ASN A 33 6.041 5.671 -2.922 1.00 0.41 N ATOM 447 CA ASN A 33 7.149 5.476 -1.992 1.00 0.44 C ATOM 448 C ASN A 33 7.322 3.992 -1.667 1.00 0.39 C ATOM 449 O ASN A 33 8.385 3.425 -1.885 1.00 0.46 O ATOM 450 CB ASN A 33 6.901 6.278 -0.707 1.00 0.52 C ATOM 451 CG ASN A 33 8.039 6.176 0.294 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.065 5.275 1.133 1.00 2.11 O ATOM 453 ND2 ASN A 33 8.979 7.102 0.221 1.00 1.58 N ATOM 0 H ASN A 33 5.239 6.154 -2.516 1.00 0.41 H new ATOM 0 HA ASN A 33 8.066 5.833 -2.461 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.746 7.326 -0.965 1.00 0.52 H new ATOM 0 HB3 ASN A 33 5.982 5.926 -0.239 1.00 0.52 H new ATOM 0 HD21 ASN A 33 9.762 7.086 0.874 1.00 1.58 H new ATOM 0 HD22 ASN A 33 8.921 7.832 -0.489 1.00 1.58 H new ATOM 460 N ILE A 34 6.266 3.362 -1.166 1.00 0.36 N ATOM 461 CA ILE A 34 6.294 1.933 -0.849 1.00 0.40 C ATOM 462 C ILE A 34 6.597 1.087 -2.086 1.00 0.48 C ATOM 463 O ILE A 34 7.070 -0.043 -1.984 1.00 0.57 O ATOM 464 CB ILE A 34 4.964 1.526 -0.152 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.186 1.450 1.361 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.397 0.208 -0.671 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.138 2.504 1.886 1.00 0.58 C ATOM 0 H ILE A 34 5.375 3.817 -0.969 1.00 0.36 H new ATOM 0 HA ILE A 34 7.109 1.739 -0.152 1.00 0.40 H new ATOM 0 HB ILE A 34 4.225 2.292 -0.387 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.226 1.555 1.867 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.574 0.463 1.614 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.470 -0.021 -0.146 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.198 0.293 -1.739 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.118 -0.591 -0.499 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.248 2.390 2.964 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.110 2.387 1.408 1.00 0.58 H new ATOM 0 HD13 ILE A 34 5.742 3.495 1.664 1.00 0.58 H new ATOM 479 N LEU A 35 6.368 1.662 -3.252 1.00 0.56 N ATOM 480 CA LEU A 35 6.720 1.015 -4.504 1.00 0.79 C ATOM 481 C LEU A 35 8.201 1.195 -4.839 1.00 0.93 C ATOM 482 O LEU A 35 8.996 0.261 -4.739 1.00 1.31 O ATOM 483 CB LEU A 35 5.868 1.581 -5.638 1.00 1.04 C ATOM 484 CG LEU A 35 4.627 0.776 -6.004 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.695 0.614 -4.812 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.910 1.442 -7.159 1.00 1.93 C ATOM 0 H LEU A 35 5.938 2.581 -3.359 1.00 0.56 H new ATOM 0 HA LEU A 35 6.528 -0.052 -4.390 1.00 0.79 H new ATOM 0 HB2 LEU A 35 5.556 2.589 -5.364 1.00 1.04 H new ATOM 0 HB3 LEU A 35 6.494 1.672 -6.526 1.00 1.04 H new ATOM 0 HG LEU A 35 4.942 -0.223 -6.306 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.821 0.035 -5.110 1.00 1.36 H new ATOM 0 HD12 LEU A 35 4.218 0.095 -4.009 1.00 1.36 H new ATOM 0 HD13 LEU A 35 3.378 1.596 -4.462 1.00 1.36 H new ATOM 0 HD21 LEU A 35 3.023 0.864 -7.418 1.00 1.93 H new ATOM 0 HD22 LEU A 35 3.614 2.451 -6.871 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.576 1.491 -8.021 1.00 1.93 H new ATOM 498 N ASN A 36 8.561 2.406 -5.232 1.00 0.89 N ATOM 499 CA ASN A 36 9.905 2.687 -5.738 1.00 1.06 C ATOM 500 C ASN A 36 10.915 2.927 -4.623 1.00 1.01 C ATOM 501 O ASN A 36 12.071 2.526 -4.734 1.00 1.13 O ATOM 502 CB ASN A 36 9.885 3.897 -6.678 1.00 1.21 C ATOM 503 CG ASN A 36 9.384 3.551 -8.068 1.00 1.58 C ATOM 504 OD1 ASN A 36 10.163 3.155 -8.937 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.089 3.711 -8.299 1.00 1.81 N ATOM 0 H ASN A 36 7.942 3.217 -5.212 1.00 0.89 H new ATOM 0 HA ASN A 36 10.221 1.798 -6.284 1.00 1.06 H new ATOM 0 HB2 ASN A 36 9.251 4.673 -6.251 1.00 1.21 H new ATOM 0 HB3 ASN A 36 10.890 4.311 -6.751 1.00 1.21 H new ATOM 0 HD21 ASN A 36 7.706 3.504 -9.222 1.00 1.81 H new ATOM 0 HD22 ASN A 36 7.475 4.041 -7.554 1.00 1.81 H new ATOM 512 N SER A 37 10.482 3.572 -3.549 1.00 0.90 N ATOM 513 CA SER A 37 11.396 3.960 -2.481 1.00 0.98 C ATOM 514 C SER A 37 11.691 2.796 -1.538 1.00 0.84 C ATOM 515 O SER A 37 12.562 2.905 -0.677 1.00 0.94 O ATOM 516 CB SER A 37 10.834 5.146 -1.704 1.00 1.05 C ATOM 517 OG SER A 37 10.505 6.211 -2.583 1.00 1.55 O ATOM 0 H SER A 37 9.509 3.837 -3.393 1.00 0.90 H new ATOM 0 HA SER A 37 12.338 4.254 -2.944 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.947 4.837 -1.151 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.565 5.486 -0.970 1.00 1.05 H new ATOM 0 HG SER A 37 10.145 6.962 -2.067 1.00 1.55 H new ATOM 523 N SER A 38 10.956 1.693 -1.691 1.00 0.67 N ATOM 524 CA SER A 38 11.292 0.461 -0.991 1.00 0.58 C ATOM 525 C SER A 38 12.713 0.059 -1.411 1.00 0.67 C ATOM 526 O SER A 38 13.530 -0.367 -0.597 1.00 1.22 O ATOM 527 CB SER A 38 10.273 -0.629 -1.334 1.00 0.54 C ATOM 528 OG SER A 38 10.034 -1.475 -0.222 1.00 1.43 O ATOM 0 H SER A 38 10.132 1.631 -2.289 1.00 0.67 H new ATOM 0 HA SER A 38 11.260 0.602 0.089 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.337 -0.169 -1.652 1.00 0.54 H new ATOM 0 HB3 SER A 38 10.638 -1.221 -2.173 1.00 0.54 H new ATOM 0 HG SER A 38 10.608 -1.204 0.525 1.00 1.43 H new ATOM 534 N ARG A 39 12.969 0.206 -2.713 1.00 0.87 N ATOM 535 CA ARG A 39 14.317 0.216 -3.293 1.00 1.08 C ATOM 536 C ARG A 39 14.781 -1.182 -3.651 1.00 0.84 C ATOM 537 O ARG A 39 14.980 -1.506 -4.823 1.00 1.22 O ATOM 538 CB ARG A 39 15.324 0.872 -2.344 1.00 1.40 C ATOM 539 CG ARG A 39 16.589 1.359 -3.021 1.00 1.90 C ATOM 540 CD ARG A 39 17.574 1.902 -2.000 1.00 2.25 C ATOM 541 NE ARG A 39 18.632 2.689 -2.624 1.00 2.89 N ATOM 542 CZ ARG A 39 19.869 2.795 -2.143 1.00 3.60 C ATOM 543 NH1 ARG A 39 20.243 2.087 -1.084 1.00 3.87 N ATOM 544 NH2 ARG A 39 20.729 3.609 -2.730 1.00 4.47 N ATOM 0 H ARG A 39 12.232 0.324 -3.408 1.00 0.87 H new ATOM 0 HA ARG A 39 14.264 0.805 -4.209 1.00 1.08 H new ATOM 0 HB2 ARG A 39 14.843 1.715 -1.848 1.00 1.40 H new ATOM 0 HB3 ARG A 39 15.593 0.157 -1.567 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.048 0.541 -3.576 1.00 1.90 H new ATOM 0 HG3 ARG A 39 16.343 2.136 -3.745 1.00 1.90 H new ATOM 0 HD2 ARG A 39 17.042 2.520 -1.276 1.00 2.25 H new ATOM 0 HD3 ARG A 39 18.017 1.073 -1.447 1.00 2.25 H new ATOM 0 HE ARG A 39 18.410 3.190 -3.484 1.00 2.89 H new ATOM 0 HH11 ARG A 39 19.581 1.456 -0.633 1.00 3.87 H new ATOM 0 HH12 ARG A 39 21.193 2.174 -0.722 1.00 3.87 H new ATOM 0 HH21 ARG A 39 20.443 4.151 -3.546 1.00 4.47 H new ATOM 0 HH22 ARG A 39 21.678 3.696 -2.367 1.00 4.47 H new ATOM 558 N THR A 40 14.945 -2.006 -2.645 1.00 0.62 N ATOM 559 CA THR A 40 15.499 -3.330 -2.838 1.00 0.70 C ATOM 560 C THR A 40 14.406 -4.382 -2.806 1.00 0.75 C ATOM 561 O THR A 40 13.312 -4.142 -2.307 1.00 0.61 O ATOM 562 CB THR A 40 16.580 -3.641 -1.775 1.00 0.88 C ATOM 563 OG1 THR A 40 16.910 -5.037 -1.768 1.00 1.59 O ATOM 564 CG2 THR A 40 16.129 -3.202 -0.388 1.00 1.25 C ATOM 0 H THR A 40 14.703 -1.785 -1.679 1.00 0.62 H new ATOM 0 HA THR A 40 15.971 -3.353 -3.820 1.00 0.70 H new ATOM 0 HB THR A 40 17.473 -3.076 -2.042 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.596 -5.208 -1.089 1.00 1.59 H new ATOM 0 HG21 THR A 40 16.908 -3.433 0.338 1.00 1.25 H new ATOM 0 HG22 THR A 40 15.941 -2.128 -0.389 1.00 1.25 H new ATOM 0 HG23 THR A 40 15.214 -3.730 -0.119 1.00 1.25 H new ATOM 572 N THR A 41 14.709 -5.546 -3.353 1.00 1.03 N ATOM 573 CA THR A 41 13.784 -6.664 -3.337 1.00 1.16 C ATOM 574 C THR A 41 13.552 -7.117 -1.905 1.00 1.04 C ATOM 575 O THR A 41 12.468 -7.580 -1.545 1.00 0.97 O ATOM 576 CB THR A 41 14.346 -7.834 -4.146 1.00 1.58 C ATOM 577 OG1 THR A 41 14.729 -7.377 -5.451 1.00 1.79 O ATOM 578 CG2 THR A 41 13.332 -8.965 -4.273 1.00 1.73 C ATOM 0 H THR A 41 15.596 -5.742 -3.817 1.00 1.03 H new ATOM 0 HA THR A 41 12.843 -6.341 -3.781 1.00 1.16 H new ATOM 0 HB THR A 41 15.217 -8.222 -3.618 1.00 1.58 H new ATOM 0 HG1 THR A 41 15.090 -8.127 -5.967 1.00 1.79 H new ATOM 0 HG21 THR A 41 13.766 -9.779 -4.854 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.067 -9.329 -3.280 1.00 1.73 H new ATOM 0 HG23 THR A 41 12.438 -8.597 -4.776 1.00 1.73 H new ATOM 586 N ALA A 42 14.582 -6.946 -1.082 1.00 1.12 N ATOM 587 CA ALA A 42 14.493 -7.260 0.332 1.00 1.18 C ATOM 588 C ALA A 42 13.488 -6.339 1.007 1.00 0.98 C ATOM 589 O ALA A 42 12.969 -6.645 2.079 1.00 1.13 O ATOM 590 CB ALA A 42 15.859 -7.140 0.987 1.00 1.41 C ATOM 0 H ALA A 42 15.491 -6.589 -1.376 1.00 1.12 H new ATOM 0 HA ALA A 42 14.151 -8.289 0.446 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.776 -7.378 2.047 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.552 -7.834 0.512 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.229 -6.121 0.872 1.00 1.41 H new ATOM 596 N ASP A 43 13.203 -5.216 0.359 1.00 0.74 N ATOM 597 CA ASP A 43 12.196 -4.291 0.850 1.00 0.67 C ATOM 598 C ASP A 43 10.876 -4.585 0.177 1.00 0.64 C ATOM 599 O ASP A 43 9.834 -4.610 0.814 1.00 0.93 O ATOM 600 CB ASP A 43 12.577 -2.844 0.560 1.00 0.63 C ATOM 601 CG ASP A 43 12.651 -2.005 1.815 1.00 1.00 C ATOM 602 OD1 ASP A 43 13.597 -2.192 2.608 1.00 1.18 O ATOM 603 OD2 ASP A 43 11.749 -1.164 2.031 1.00 1.72 O ATOM 0 H ASP A 43 13.656 -4.926 -0.507 1.00 0.74 H new ATOM 0 HA ASP A 43 12.119 -4.422 1.929 1.00 0.67 H new ATOM 0 HB2 ASP A 43 13.541 -2.820 0.053 1.00 0.63 H new ATOM 0 HB3 ASP A 43 11.847 -2.409 -0.122 1.00 0.63 H new ATOM 608 N ARG A 44 10.959 -4.844 -1.118 1.00 0.54 N ATOM 609 CA ARG A 44 9.794 -5.053 -1.969 1.00 0.61 C ATOM 610 C ARG A 44 8.942 -6.224 -1.478 1.00 0.67 C ATOM 611 O ARG A 44 7.732 -6.251 -1.683 1.00 0.93 O ATOM 612 CB ARG A 44 10.273 -5.277 -3.405 1.00 0.76 C ATOM 613 CG ARG A 44 9.167 -5.377 -4.435 1.00 1.39 C ATOM 614 CD ARG A 44 9.722 -5.208 -5.841 1.00 1.53 C ATOM 615 NE ARG A 44 8.762 -5.606 -6.861 1.00 1.70 N ATOM 616 CZ ARG A 44 8.447 -4.881 -7.928 1.00 2.01 C ATOM 617 NH1 ARG A 44 8.989 -3.683 -8.113 1.00 2.34 N ATOM 618 NH2 ARG A 44 7.585 -5.365 -8.814 1.00 2.70 N ATOM 0 H ARG A 44 11.847 -4.916 -1.616 1.00 0.54 H new ATOM 0 HA ARG A 44 9.156 -4.170 -1.930 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.937 -4.459 -3.684 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.864 -6.192 -3.437 1.00 0.76 H new ATOM 0 HG2 ARG A 44 8.670 -6.343 -4.349 1.00 1.39 H new ATOM 0 HG3 ARG A 44 8.414 -4.613 -4.242 1.00 1.39 H new ATOM 0 HD2 ARG A 44 10.004 -4.167 -5.996 1.00 1.53 H new ATOM 0 HD3 ARG A 44 10.629 -5.803 -5.946 1.00 1.53 H new ATOM 0 HE ARG A 44 8.298 -6.507 -6.748 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.653 -3.313 -7.433 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.741 -3.133 -8.935 1.00 2.34 H new ATOM 0 HH21 ARG A 44 7.171 -6.286 -8.672 1.00 2.70 H new ATOM 0 HH22 ARG A 44 7.337 -4.816 -9.637 1.00 2.70 H new ATOM 632 N ARG A 45 9.575 -7.190 -0.827 1.00 0.66 N ATOM 633 CA ARG A 45 8.840 -8.295 -0.221 1.00 0.72 C ATOM 634 C ARG A 45 8.442 -7.962 1.211 1.00 0.76 C ATOM 635 O ARG A 45 7.311 -8.214 1.629 1.00 1.28 O ATOM 636 CB ARG A 45 9.670 -9.576 -0.238 1.00 0.88 C ATOM 637 CG ARG A 45 9.925 -10.108 -1.632 1.00 1.16 C ATOM 638 CD ARG A 45 10.616 -11.455 -1.583 1.00 1.34 C ATOM 639 NE ARG A 45 10.830 -12.010 -2.916 1.00 1.99 N ATOM 640 CZ ARG A 45 11.954 -12.613 -3.289 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.957 -12.743 -2.430 1.00 2.84 N ATOM 642 NH2 ARG A 45 12.074 -13.096 -4.519 1.00 3.54 N ATOM 0 H ARG A 45 10.587 -7.233 -0.705 1.00 0.66 H new ATOM 0 HA ARG A 45 7.937 -8.452 -0.811 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.626 -9.388 0.252 1.00 0.88 H new ATOM 0 HB3 ARG A 45 9.158 -10.340 0.346 1.00 0.88 H new ATOM 0 HG2 ARG A 45 8.980 -10.200 -2.168 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.540 -9.400 -2.188 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.575 -11.352 -1.075 1.00 1.34 H new ATOM 0 HD3 ARG A 45 10.016 -12.149 -0.994 1.00 1.34 H new ATOM 0 HE ARG A 45 10.076 -11.931 -3.598 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.866 -12.380 -1.481 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.819 -13.206 -2.718 1.00 2.84 H new ATOM 0 HH21 ARG A 45 11.303 -13.005 -5.180 1.00 3.54 H new ATOM 0 HH22 ARG A 45 12.938 -13.558 -4.803 1.00 3.54 H new ATOM 656 N ALA A 46 9.376 -7.381 1.953 1.00 0.51 N ATOM 657 CA ALA A 46 9.145 -7.038 3.355 1.00 0.53 C ATOM 658 C ALA A 46 8.019 -6.018 3.502 1.00 0.44 C ATOM 659 O ALA A 46 7.254 -6.057 4.469 1.00 0.53 O ATOM 660 CB ALA A 46 10.427 -6.513 3.985 1.00 0.64 C ATOM 0 H ALA A 46 10.304 -7.136 1.608 1.00 0.51 H new ATOM 0 HA ALA A 46 8.839 -7.944 3.878 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.242 -6.261 5.029 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.201 -7.279 3.928 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.757 -5.623 3.450 1.00 0.64 H new ATOM 666 N VAL A 47 7.917 -5.108 2.538 1.00 0.35 N ATOM 667 CA VAL A 47 6.863 -4.107 2.539 1.00 0.38 C ATOM 668 C VAL A 47 5.505 -4.771 2.372 1.00 0.42 C ATOM 669 O VAL A 47 4.512 -4.294 2.901 1.00 0.50 O ATOM 670 CB VAL A 47 7.084 -3.033 1.438 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.018 -3.623 0.040 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.084 -1.903 1.572 1.00 0.70 C ATOM 0 H VAL A 47 8.555 -5.046 1.745 1.00 0.35 H new ATOM 0 HA VAL A 47 6.893 -3.597 3.502 1.00 0.38 H new ATOM 0 HB VAL A 47 8.089 -2.637 1.585 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.178 -2.835 -0.696 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.790 -4.385 -0.070 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.038 -4.074 -0.119 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.261 -1.165 0.789 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.073 -2.299 1.476 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.197 -1.431 2.548 1.00 0.70 H new ATOM 682 N CYS A 48 5.477 -5.896 1.671 1.00 0.44 N ATOM 683 CA CYS A 48 4.251 -6.664 1.509 1.00 0.56 C ATOM 684 C CYS A 48 3.885 -7.340 2.828 1.00 0.59 C ATOM 685 O CYS A 48 2.722 -7.346 3.238 1.00 0.68 O ATOM 686 CB CYS A 48 4.417 -7.708 0.399 1.00 0.68 C ATOM 687 SG CYS A 48 2.929 -8.711 0.070 1.00 1.78 S ATOM 0 H CYS A 48 6.291 -6.297 1.205 1.00 0.44 H new ATOM 0 HA CYS A 48 3.445 -5.988 1.224 1.00 0.56 H new ATOM 0 HB2 CYS A 48 4.706 -7.199 -0.520 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.237 -8.375 0.665 1.00 0.68 H new ATOM 692 N SER A 49 4.893 -7.879 3.510 1.00 0.59 N ATOM 693 CA SER A 49 4.684 -8.546 4.789 1.00 0.73 C ATOM 694 C SER A 49 4.128 -7.578 5.834 1.00 0.73 C ATOM 695 O SER A 49 3.444 -7.990 6.770 1.00 0.96 O ATOM 696 CB SER A 49 5.997 -9.156 5.282 1.00 0.84 C ATOM 697 OG SER A 49 6.539 -10.039 4.315 1.00 1.41 O ATOM 0 H SER A 49 5.863 -7.866 3.196 1.00 0.59 H new ATOM 0 HA SER A 49 3.952 -9.340 4.642 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.713 -8.363 5.498 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.826 -9.693 6.215 1.00 0.84 H new ATOM 0 HG SER A 49 7.379 -10.416 4.651 1.00 1.41 H new ATOM 703 N CYS A 50 4.426 -6.298 5.674 1.00 0.57 N ATOM 704 CA CYS A 50 3.855 -5.279 6.541 1.00 0.60 C ATOM 705 C CYS A 50 2.569 -4.733 5.932 1.00 0.55 C ATOM 706 O CYS A 50 1.629 -4.398 6.654 1.00 0.59 O ATOM 707 CB CYS A 50 4.848 -4.144 6.783 1.00 0.63 C ATOM 708 SG CYS A 50 4.185 -2.789 7.810 1.00 1.11 S ATOM 0 H CYS A 50 5.056 -5.941 4.956 1.00 0.57 H new ATOM 0 HA CYS A 50 3.627 -5.739 7.502 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.738 -4.549 7.264 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.162 -3.738 5.822 1.00 0.63 H new ATOM 713 N LEU A 51 2.530 -4.656 4.602 1.00 0.51 N ATOM 714 CA LEU A 51 1.340 -4.225 3.878 1.00 0.55 C ATOM 715 C LEU A 51 0.101 -4.988 4.344 1.00 0.63 C ATOM 716 O LEU A 51 -0.958 -4.397 4.554 1.00 0.63 O ATOM 717 CB LEU A 51 1.537 -4.437 2.370 1.00 0.66 C ATOM 718 CG LEU A 51 0.295 -4.226 1.497 1.00 0.77 C ATOM 719 CD1 LEU A 51 -0.151 -2.775 1.525 1.00 1.33 C ATOM 720 CD2 LEU A 51 0.567 -4.671 0.071 1.00 1.33 C ATOM 0 H LEU A 51 3.320 -4.890 4.001 1.00 0.51 H new ATOM 0 HA LEU A 51 1.188 -3.165 4.083 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.318 -3.759 2.026 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.902 -5.452 2.210 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.512 -4.835 1.904 1.00 0.77 H new ATOM 0 HD11 LEU A 51 -1.034 -2.654 0.897 1.00 1.33 H new ATOM 0 HD12 LEU A 51 -0.391 -2.488 2.549 1.00 1.33 H new ATOM 0 HD13 LEU A 51 0.652 -2.140 1.149 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -0.325 -4.514 -0.535 1.00 1.33 H new ATOM 0 HD22 LEU A 51 1.392 -4.090 -0.340 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.829 -5.729 0.064 1.00 1.33 H new ATOM 732 N LYS A 52 0.251 -6.296 4.527 1.00 0.80 N ATOM 733 CA LYS A 52 -0.862 -7.150 4.919 1.00 0.99 C ATOM 734 C LYS A 52 -1.366 -6.812 6.324 1.00 0.92 C ATOM 735 O LYS A 52 -2.519 -7.083 6.658 1.00 1.02 O ATOM 736 CB LYS A 52 -0.467 -8.631 4.815 1.00 1.32 C ATOM 737 CG LYS A 52 0.656 -9.066 5.742 1.00 1.40 C ATOM 738 CD LYS A 52 1.071 -10.499 5.437 1.00 1.78 C ATOM 739 CE LYS A 52 2.258 -10.949 6.275 1.00 1.79 C ATOM 740 NZ LYS A 52 1.923 -11.072 7.717 1.00 2.30 N ATOM 0 H LYS A 52 1.137 -6.788 4.409 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.684 -6.964 4.228 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -1.346 -9.241 5.024 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.170 -8.840 3.787 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.511 -8.400 5.625 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.331 -8.988 6.779 1.00 1.40 H new ATOM 0 HD2 LYS A 52 0.228 -11.165 5.619 1.00 1.78 H new ATOM 0 HD3 LYS A 52 1.323 -10.585 4.380 1.00 1.78 H new ATOM 0 HE2 LYS A 52 2.616 -11.910 5.905 1.00 1.79 H new ATOM 0 HE3 LYS A 52 3.074 -10.237 6.155 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 2.765 -11.381 8.244 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 1.607 -10.150 8.080 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 1.163 -11.771 7.838 1.00 2.30 H new ATOM 754 N ALA A 53 -0.510 -6.208 7.143 1.00 0.88 N ATOM 755 CA ALA A 53 -0.922 -5.754 8.466 1.00 0.95 C ATOM 756 C ALA A 53 -1.435 -4.329 8.396 1.00 0.91 C ATOM 757 O ALA A 53 -2.326 -3.950 9.141 1.00 1.10 O ATOM 758 CB ALA A 53 0.209 -5.844 9.475 1.00 1.06 C ATOM 0 H ALA A 53 0.467 -6.023 6.915 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.722 -6.415 8.801 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.142 -5.496 10.447 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.541 -6.879 9.558 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.041 -5.222 9.145 1.00 1.06 H new ATOM 764 N ALA A 54 -0.863 -3.542 7.496 1.00 0.79 N ATOM 765 CA ALA A 54 -1.308 -2.174 7.282 1.00 0.87 C ATOM 766 C ALA A 54 -2.737 -2.158 6.753 1.00 0.94 C ATOM 767 O ALA A 54 -3.592 -1.433 7.257 1.00 1.16 O ATOM 768 CB ALA A 54 -0.369 -1.454 6.324 1.00 0.89 C ATOM 0 H ALA A 54 -0.087 -3.830 6.900 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.291 -1.648 8.236 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.716 -0.432 6.174 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.637 -1.438 6.744 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.355 -1.976 5.367 1.00 0.89 H new ATOM 774 N ALA A 55 -2.994 -2.996 5.753 1.00 0.88 N ATOM 775 CA ALA A 55 -4.327 -3.120 5.176 1.00 0.97 C ATOM 776 C ALA A 55 -5.251 -3.876 6.123 1.00 0.96 C ATOM 777 O ALA A 55 -6.469 -3.895 5.942 1.00 1.07 O ATOM 778 CB ALA A 55 -4.258 -3.820 3.826 1.00 1.11 C ATOM 0 H ALA A 55 -2.293 -3.601 5.325 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.733 -2.120 5.026 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.261 -3.905 3.408 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.630 -3.242 3.148 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.833 -4.816 3.954 1.00 1.11 H new ATOM 784 N GLY A 56 -4.663 -4.502 7.135 1.00 0.96 N ATOM 785 CA GLY A 56 -5.443 -5.200 8.131 1.00 1.05 C ATOM 786 C GLY A 56 -5.595 -4.389 9.401 1.00 0.99 C ATOM 787 O GLY A 56 -6.330 -4.773 10.308 1.00 1.08 O ATOM 0 H GLY A 56 -3.654 -4.537 7.281 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.429 -5.428 7.726 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -4.966 -6.152 8.363 1.00 1.05 H new ATOM 791 N ALA A 57 -4.904 -3.258 9.461 1.00 0.98 N ATOM 792 CA ALA A 57 -4.949 -2.388 10.630 1.00 1.11 C ATOM 793 C ALA A 57 -6.133 -1.431 10.529 1.00 1.10 C ATOM 794 O ALA A 57 -6.435 -0.685 11.461 1.00 1.53 O ATOM 795 CB ALA A 57 -3.650 -1.604 10.760 1.00 1.34 C ATOM 0 H ALA A 57 -4.303 -2.920 8.710 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.071 -3.007 11.519 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.700 -0.960 11.638 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.816 -2.297 10.866 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.503 -0.993 9.869 1.00 1.34 H new ATOM 801 N VAL A 58 -6.791 -1.469 9.377 1.00 0.89 N ATOM 802 CA VAL A 58 -7.902 -0.576 9.068 1.00 1.10 C ATOM 803 C VAL A 58 -9.045 -0.701 10.084 1.00 1.08 C ATOM 804 O VAL A 58 -9.686 -1.748 10.205 1.00 1.78 O ATOM 805 CB VAL A 58 -8.412 -0.838 7.636 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.313 -0.499 6.634 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.863 -2.281 7.458 1.00 2.36 C ATOM 0 H VAL A 58 -6.568 -2.123 8.627 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.530 0.447 9.132 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.278 -0.200 7.459 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.673 -0.684 5.622 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -7.040 0.551 6.735 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.439 -1.122 6.828 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.216 -2.429 6.437 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -8.025 -2.951 7.653 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.671 -2.498 8.156 1.00 2.36 H new ATOM 817 N ARG A 59 -9.260 0.365 10.846 1.00 0.92 N ATOM 818 CA ARG A 59 -10.372 0.444 11.783 1.00 1.16 C ATOM 819 C ARG A 59 -11.343 1.522 11.318 1.00 1.18 C ATOM 820 O ARG A 59 -11.166 2.705 11.618 1.00 1.83 O ATOM 821 CB ARG A 59 -9.857 0.770 13.185 1.00 1.63 C ATOM 822 CG ARG A 59 -10.895 0.625 14.287 1.00 2.16 C ATOM 823 CD ARG A 59 -11.239 -0.835 14.548 1.00 2.64 C ATOM 824 NE ARG A 59 -12.217 -1.370 13.597 1.00 3.01 N ATOM 825 CZ ARG A 59 -12.368 -2.672 13.340 1.00 3.85 C ATOM 826 NH1 ARG A 59 -11.615 -3.566 13.974 1.00 4.30 N ATOM 827 NH2 ARG A 59 -13.284 -3.076 12.471 1.00 4.65 N ATOM 0 H ARG A 59 -8.669 1.197 10.831 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.886 -0.517 11.818 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -9.013 0.117 13.409 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -9.479 1.792 13.191 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -10.519 1.080 15.203 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -11.799 1.168 14.010 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -10.328 -1.432 14.499 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -11.632 -0.935 15.560 1.00 2.64 H new ATOM 0 HE ARG A 59 -12.817 -0.710 13.103 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -10.922 -3.257 14.656 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -11.730 -4.560 13.778 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -13.875 -2.392 11.998 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -13.398 -4.071 12.276 1.00 4.65 H new ATOM 841 N GLY A 60 -12.340 1.116 10.550 1.00 1.26 N ATOM 842 CA GLY A 60 -13.237 2.065 9.920 1.00 1.50 C ATOM 843 C GLY A 60 -12.812 2.326 8.495 1.00 1.68 C ATOM 844 O GLY A 60 -13.554 2.902 7.698 1.00 2.01 O ATOM 0 H GLY A 60 -12.547 0.138 10.349 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.256 1.678 9.937 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -13.241 2.999 10.482 1.00 1.50 H new ATOM 848 N ILE A 61 -11.599 1.884 8.186 1.00 1.67 N ATOM 849 CA ILE A 61 -11.025 2.059 6.868 1.00 1.93 C ATOM 850 C ILE A 61 -11.442 0.903 5.970 1.00 1.67 C ATOM 851 O ILE A 61 -11.656 -0.218 6.432 1.00 2.21 O ATOM 852 CB ILE A 61 -9.470 2.149 6.910 1.00 2.53 C ATOM 853 CG1 ILE A 61 -8.987 3.413 7.621 1.00 3.45 C ATOM 854 CG2 ILE A 61 -8.884 2.107 5.512 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.192 3.397 9.112 1.00 3.54 C ATOM 0 H ILE A 61 -10.991 1.396 8.844 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.401 3.002 6.470 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.125 1.283 7.475 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -7.926 3.551 7.413 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -9.509 4.274 7.203 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -7.798 2.171 5.571 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.166 1.173 5.027 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -9.266 2.947 4.932 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.823 4.329 9.540 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.254 3.292 9.332 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.647 2.558 9.545 1.00 3.54 H new ATOM 867 N ASN A 62 -11.533 1.186 4.692 1.00 1.52 N ATOM 868 CA ASN A 62 -11.955 0.200 3.712 1.00 1.54 C ATOM 869 C ASN A 62 -10.817 -0.107 2.756 1.00 1.47 C ATOM 870 O ASN A 62 -10.350 0.769 2.031 1.00 1.53 O ATOM 871 CB ASN A 62 -13.183 0.684 2.932 1.00 1.94 C ATOM 872 CG ASN A 62 -14.446 0.688 3.774 1.00 2.79 C ATOM 873 OD1 ASN A 62 -15.170 -0.309 3.834 1.00 3.22 O ATOM 874 ND2 ASN A 62 -14.725 1.808 4.423 1.00 3.41 N ATOM 0 H ASN A 62 -11.318 2.102 4.298 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.230 -0.710 4.245 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -12.997 1.691 2.558 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.332 0.043 2.063 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -15.565 1.868 4.999 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -14.100 2.611 4.347 1.00 3.41 H new ATOM 881 N PRO A 63 -10.364 -1.365 2.731 1.00 1.67 N ATOM 882 CA PRO A 63 -9.258 -1.772 1.884 1.00 1.87 C ATOM 883 C PRO A 63 -9.672 -1.826 0.418 1.00 1.64 C ATOM 884 O PRO A 63 -8.834 -1.932 -0.471 1.00 1.59 O ATOM 885 CB PRO A 63 -8.860 -3.155 2.399 1.00 2.43 C ATOM 886 CG PRO A 63 -9.891 -3.570 3.399 1.00 2.38 C ATOM 887 CD PRO A 63 -10.922 -2.479 3.502 1.00 2.01 C ATOM 0 HA PRO A 63 -8.429 -1.065 1.928 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -8.810 -3.871 1.579 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -7.871 -3.125 2.856 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -10.359 -4.506 3.094 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -9.428 -3.746 4.370 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -11.881 -2.801 3.095 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -11.095 -2.195 4.540 1.00 2.01 H new ATOM 895 N ASN A 64 -10.974 -1.744 0.181 1.00 1.59 N ATOM 896 CA ASN A 64 -11.504 -1.610 -1.170 1.00 1.51 C ATOM 897 C ASN A 64 -10.949 -0.352 -1.832 1.00 1.16 C ATOM 898 O ASN A 64 -10.634 -0.348 -3.020 1.00 1.11 O ATOM 899 CB ASN A 64 -13.034 -1.557 -1.132 1.00 1.72 C ATOM 900 CG ASN A 64 -13.649 -1.183 -2.467 1.00 2.37 C ATOM 901 OD1 ASN A 64 -13.932 -0.013 -2.723 1.00 3.10 O ATOM 902 ND2 ASN A 64 -13.846 -2.166 -3.329 1.00 2.83 N ATOM 0 H ASN A 64 -11.686 -1.768 0.911 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.197 -2.477 -1.755 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -13.418 -2.529 -0.821 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -13.348 -0.835 -0.379 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -14.247 -1.968 -4.246 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -13.597 -3.123 -3.077 1.00 2.83 H new ATOM 909 N ASN A 65 -10.797 0.701 -1.041 1.00 0.99 N ATOM 910 CA ASN A 65 -10.270 1.966 -1.537 1.00 0.74 C ATOM 911 C ASN A 65 -8.771 1.863 -1.776 1.00 0.69 C ATOM 912 O ASN A 65 -8.197 2.657 -2.514 1.00 0.60 O ATOM 913 CB ASN A 65 -10.571 3.093 -0.554 1.00 0.74 C ATOM 914 CG ASN A 65 -12.057 3.368 -0.426 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.748 2.756 0.389 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.558 4.293 -1.229 1.00 1.13 N ATOM 0 H ASN A 65 -11.032 0.704 -0.049 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.758 2.192 -2.485 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.166 2.835 0.425 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.063 4.001 -0.880 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.551 4.522 -1.186 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -11.951 4.777 -1.890 1.00 1.13 H new ATOM 923 N ALA A 66 -8.141 0.866 -1.162 1.00 0.93 N ATOM 924 CA ALA A 66 -6.713 0.639 -1.355 1.00 1.07 C ATOM 925 C ALA A 66 -6.454 0.068 -2.739 1.00 1.02 C ATOM 926 O ALA A 66 -5.358 0.187 -3.275 1.00 1.05 O ATOM 927 CB ALA A 66 -6.158 -0.281 -0.279 1.00 1.43 C ATOM 0 H ALA A 66 -8.594 0.206 -0.530 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.199 1.596 -1.273 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -5.092 -0.434 -0.446 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -6.311 0.171 0.701 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -6.673 -1.241 -0.320 1.00 1.43 H new ATOM 933 N GLU A 67 -7.481 -0.542 -3.314 1.00 1.07 N ATOM 934 CA GLU A 67 -7.425 -1.028 -4.683 1.00 1.12 C ATOM 935 C GLU A 67 -7.520 0.150 -5.651 1.00 0.94 C ATOM 936 O GLU A 67 -7.078 0.082 -6.799 1.00 1.00 O ATOM 937 CB GLU A 67 -8.575 -2.010 -4.928 1.00 1.50 C ATOM 938 CG GLU A 67 -8.608 -2.594 -6.329 1.00 1.80 C ATOM 939 CD GLU A 67 -7.448 -3.527 -6.601 1.00 2.05 C ATOM 940 OE1 GLU A 67 -6.339 -3.043 -6.882 1.00 2.41 O ATOM 941 OE2 GLU A 67 -7.650 -4.759 -6.543 1.00 2.41 O ATOM 0 H GLU A 67 -8.371 -0.713 -2.847 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.479 -1.544 -4.848 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -8.501 -2.825 -4.208 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -9.520 -1.501 -4.737 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.544 -3.134 -6.471 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.595 -1.783 -7.057 1.00 1.80 H new ATOM 948 N ALA A 68 -8.092 1.240 -5.164 1.00 0.86 N ATOM 949 CA ALA A 68 -8.274 2.438 -5.964 1.00 0.92 C ATOM 950 C ALA A 68 -7.010 3.293 -5.968 1.00 0.89 C ATOM 951 O ALA A 68 -6.798 4.100 -6.877 1.00 1.14 O ATOM 952 CB ALA A 68 -9.454 3.237 -5.433 1.00 1.00 C ATOM 0 H ALA A 68 -8.441 1.318 -4.209 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.478 2.139 -6.992 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.586 4.135 -6.037 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.357 2.629 -5.484 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.265 3.520 -4.398 1.00 1.00 H new ATOM 958 N LEU A 69 -6.170 3.098 -4.958 1.00 0.79 N ATOM 959 CA LEU A 69 -4.950 3.888 -4.800 1.00 1.01 C ATOM 960 C LEU A 69 -4.008 3.732 -6.004 1.00 1.08 C ATOM 961 O LEU A 69 -3.676 4.723 -6.654 1.00 1.37 O ATOM 962 CB LEU A 69 -4.223 3.516 -3.502 1.00 1.16 C ATOM 963 CG LEU A 69 -5.052 3.657 -2.225 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.220 3.272 -1.012 1.00 2.29 C ATOM 965 CD2 LEU A 69 -5.585 5.076 -2.083 1.00 1.96 C ATOM 0 H LEU A 69 -6.311 2.396 -4.231 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.249 4.935 -4.747 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -3.879 2.485 -3.580 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.335 4.142 -3.410 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.904 2.981 -2.289 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -4.822 3.377 -0.110 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -3.891 2.238 -1.110 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -3.350 3.925 -0.945 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -6.172 5.154 -1.168 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -4.750 5.776 -2.040 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -6.215 5.315 -2.940 1.00 1.96 H new ATOM 977 N PRO A 70 -3.580 2.494 -6.348 1.00 0.88 N ATOM 978 CA PRO A 70 -2.633 2.275 -7.447 1.00 0.91 C ATOM 979 C PRO A 70 -3.157 2.781 -8.789 1.00 1.02 C ATOM 980 O PRO A 70 -2.369 3.086 -9.690 1.00 1.20 O ATOM 981 CB PRO A 70 -2.450 0.752 -7.481 1.00 0.77 C ATOM 982 CG PRO A 70 -3.636 0.205 -6.766 1.00 0.78 C ATOM 983 CD PRO A 70 -3.971 1.220 -5.717 1.00 0.78 C ATOM 0 HA PRO A 70 -1.704 2.822 -7.285 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.402 0.383 -8.506 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.522 0.455 -6.992 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.472 0.055 -7.449 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.413 -0.764 -6.319 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.031 1.204 -5.464 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.420 1.042 -4.793 1.00 0.78 H new ATOM 991 N GLY A 71 -4.478 2.879 -8.908 1.00 1.06 N ATOM 992 CA GLY A 71 -5.082 3.347 -10.139 1.00 1.36 C ATOM 993 C GLY A 71 -4.944 4.846 -10.313 1.00 1.09 C ATOM 994 O GLY A 71 -4.398 5.312 -11.310 1.00 1.18 O ATOM 0 H GLY A 71 -5.141 2.641 -8.170 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.617 2.841 -10.985 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.138 3.078 -10.148 1.00 1.36 H new ATOM 998 N LYS A 72 -5.414 5.603 -9.329 1.00 0.90 N ATOM 999 CA LYS A 72 -5.390 7.062 -9.407 1.00 0.78 C ATOM 1000 C LYS A 72 -3.973 7.615 -9.247 1.00 0.73 C ATOM 1001 O LYS A 72 -3.687 8.742 -9.651 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.324 7.675 -8.354 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.749 7.897 -8.847 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.464 6.583 -9.132 1.00 1.40 C ATOM 1005 CE LYS A 72 -9.071 5.993 -7.871 1.00 2.07 C ATOM 1006 NZ LYS A 72 -10.322 6.691 -7.470 1.00 2.61 N ATOM 0 H LYS A 72 -5.816 5.233 -8.468 1.00 0.90 H new ATOM 0 HA LYS A 72 -5.745 7.341 -10.399 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -6.349 7.023 -7.481 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -5.910 8.629 -8.027 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -8.308 8.459 -8.099 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.729 8.503 -9.753 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -9.248 6.747 -9.872 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -7.761 5.872 -9.565 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -9.282 4.936 -8.032 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.347 6.053 -7.059 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.764 6.183 -6.677 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.098 7.663 -7.177 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -10.980 6.715 -8.275 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.086 6.819 -8.667 1.00 0.63 N ATOM 1021 CA CYS A 73 -1.705 7.239 -8.470 1.00 0.63 C ATOM 1022 C CYS A 73 -0.816 6.749 -9.610 1.00 0.62 C ATOM 1023 O CYS A 73 0.409 6.854 -9.546 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.212 6.754 -7.107 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.235 7.396 -5.746 1.00 1.65 S ATOM 0 H CYS A 73 -3.297 5.881 -8.325 1.00 0.63 H new ATOM 0 HA CYS A 73 -1.654 8.328 -8.481 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.221 5.664 -7.085 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.178 7.067 -6.963 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.457 6.207 -10.649 1.00 0.61 N ATOM 1031 CA GLY A 74 -0.774 5.890 -11.894 1.00 0.67 C ATOM 1032 C GLY A 74 0.363 4.897 -11.750 1.00 0.66 C ATOM 1033 O GLY A 74 1.371 4.999 -12.452 1.00 0.96 O ATOM 0 H GLY A 74 -2.451 5.980 -10.647 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.501 5.491 -12.602 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.383 6.812 -12.324 1.00 0.67 H new ATOM 1037 N VAL A 75 0.215 3.927 -10.863 1.00 0.55 N ATOM 1038 CA VAL A 75 1.263 2.932 -10.681 1.00 0.61 C ATOM 1039 C VAL A 75 0.794 1.534 -11.080 1.00 0.80 C ATOM 1040 O VAL A 75 1.501 0.839 -11.803 1.00 1.70 O ATOM 1041 CB VAL A 75 1.836 2.928 -9.243 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.744 4.130 -9.035 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.735 2.920 -8.193 1.00 0.51 C ATOM 0 H VAL A 75 -0.604 3.806 -10.267 1.00 0.55 H new ATOM 0 HA VAL A 75 2.073 3.221 -11.351 1.00 0.61 H new ATOM 0 HB VAL A 75 2.414 2.011 -9.124 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.140 4.115 -8.020 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.568 4.091 -9.747 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.175 5.047 -9.189 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.181 2.917 -7.198 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.114 3.808 -8.310 1.00 0.51 H new ATOM 0 HG23 VAL A 75 0.120 2.029 -8.317 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.406 1.156 -10.630 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.013 -0.153 -10.941 1.00 0.90 C ATOM 1055 C ASN A 76 -0.056 -1.310 -10.654 1.00 0.81 C ATOM 1056 O ASN A 76 0.777 -1.671 -11.489 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.476 -0.209 -12.402 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.285 -1.459 -12.711 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -1.739 -2.508 -13.053 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -3.601 -1.349 -12.615 1.00 2.31 N ATOM 0 H ASN A 76 -0.990 1.747 -10.038 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.879 -0.263 -10.288 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -2.078 0.673 -12.623 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -0.605 -0.173 -13.057 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -4.197 -2.149 -12.828 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -4.019 -0.464 -12.328 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.173 -1.899 -9.477 1.00 0.78 N ATOM 1068 CA ILE A 77 0.749 -2.946 -9.069 1.00 0.91 C ATOM 1069 C ILE A 77 0.107 -4.326 -9.160 1.00 0.85 C ATOM 1070 O ILE A 77 -1.118 -4.452 -9.126 1.00 0.82 O ATOM 1071 CB ILE A 77 1.269 -2.713 -7.633 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.127 -2.795 -6.605 1.00 1.12 C ATOM 1073 CG2 ILE A 77 1.978 -1.371 -7.553 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.490 -2.248 -5.239 1.00 1.17 C ATOM 0 H ILE A 77 -0.892 -1.673 -8.790 1.00 0.78 H new ATOM 0 HA ILE A 77 1.591 -2.906 -9.759 1.00 0.91 H new ATOM 0 HB ILE A 77 1.981 -3.502 -7.390 1.00 1.19 H new ATOM 0 HG12 ILE A 77 -0.734 -2.247 -6.988 1.00 1.12 H new ATOM 0 HG13 ILE A 77 -0.179 -3.836 -6.499 1.00 1.12 H new ATOM 0 HG21 ILE A 77 2.343 -1.212 -6.538 1.00 1.83 H new ATOM 0 HG22 ILE A 77 2.819 -1.362 -8.246 1.00 1.83 H new ATOM 0 HG23 ILE A 77 1.282 -0.575 -7.817 1.00 1.83 H new ATOM 0 HD11 ILE A 77 -0.366 -2.341 -4.571 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.330 -2.811 -4.833 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.767 -1.198 -5.330 1.00 1.17 H new ATOM 1086 N PRO A 78 0.932 -5.373 -9.317 1.00 0.96 N ATOM 1087 CA PRO A 78 0.477 -6.762 -9.253 1.00 1.03 C ATOM 1088 C PRO A 78 0.158 -7.168 -7.816 1.00 0.91 C ATOM 1089 O PRO A 78 -0.076 -6.306 -6.975 1.00 1.28 O ATOM 1090 CB PRO A 78 1.670 -7.570 -9.786 1.00 1.24 C ATOM 1091 CG PRO A 78 2.626 -6.565 -10.341 1.00 1.35 C ATOM 1092 CD PRO A 78 2.368 -5.289 -9.594 1.00 1.15 C ATOM 0 HA PRO A 78 -0.436 -6.926 -9.825 1.00 1.03 H new ATOM 0 HB2 PRO A 78 2.134 -8.153 -8.991 1.00 1.24 H new ATOM 0 HB3 PRO A 78 1.353 -8.275 -10.555 1.00 1.24 H new ATOM 0 HG2 PRO A 78 3.657 -6.893 -10.208 1.00 1.35 H new ATOM 0 HG3 PRO A 78 2.470 -6.428 -11.411 1.00 1.35 H new ATOM 0 HD2 PRO A 78 2.956 -5.228 -8.678 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.616 -4.411 -10.191 1.00 1.15 H new ATOM 1100 N TYR A 79 0.154 -8.480 -7.559 1.00 0.89 N ATOM 1101 CA TYR A 79 -0.125 -9.060 -6.234 1.00 0.80 C ATOM 1102 C TYR A 79 -1.377 -8.465 -5.580 1.00 0.85 C ATOM 1103 O TYR A 79 -2.213 -7.856 -6.249 1.00 1.07 O ATOM 1104 CB TYR A 79 1.099 -8.993 -5.285 1.00 0.91 C ATOM 1105 CG TYR A 79 1.686 -7.616 -5.006 1.00 0.81 C ATOM 1106 CD1 TYR A 79 0.950 -6.617 -4.364 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.000 -7.329 -5.356 1.00 0.84 C ATOM 1108 CE1 TYR A 79 1.508 -5.384 -4.090 1.00 1.13 C ATOM 1109 CE2 TYR A 79 3.562 -6.095 -5.088 1.00 0.99 C ATOM 1110 CZ TYR A 79 2.812 -5.128 -4.456 1.00 1.10 C ATOM 1111 OH TYR A 79 3.371 -3.901 -4.183 1.00 1.38 O ATOM 0 H TYR A 79 0.347 -9.182 -8.273 1.00 0.89 H new ATOM 0 HA TYR A 79 -0.332 -10.115 -6.412 1.00 0.80 H new ATOM 0 HB2 TYR A 79 0.813 -9.438 -4.332 1.00 0.91 H new ATOM 0 HB3 TYR A 79 1.887 -9.618 -5.705 1.00 0.91 H new ATOM 0 HD1 TYR A 79 -0.073 -6.812 -4.077 1.00 0.99 H new ATOM 0 HD2 TYR A 79 3.594 -8.085 -5.847 1.00 0.84 H new ATOM 0 HE1 TYR A 79 0.925 -4.624 -3.591 1.00 1.13 H new ATOM 0 HE2 TYR A 79 4.584 -5.890 -5.373 1.00 0.99 H new ATOM 0 HH TYR A 79 4.296 -3.884 -4.505 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.529 -8.694 -4.280 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.698 -8.229 -3.548 1.00 1.11 C ATOM 1123 C LYS A 80 -2.282 -7.590 -2.231 1.00 1.06 C ATOM 1124 O LYS A 80 -1.153 -7.758 -1.779 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.659 -9.393 -3.282 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.210 -10.036 -4.544 1.00 2.02 C ATOM 1127 CD LYS A 80 -5.023 -9.044 -5.357 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.513 -9.656 -6.660 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.227 -10.942 -6.438 1.00 3.48 N ATOM 0 H LYS A 80 -0.852 -9.202 -3.710 1.00 0.87 H new ATOM 0 HA LYS A 80 -3.208 -7.482 -4.156 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.142 -10.152 -2.695 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.491 -9.034 -2.676 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.388 -10.418 -5.149 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -4.834 -10.889 -4.278 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -5.877 -8.705 -4.770 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -4.415 -8.165 -5.573 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -6.178 -8.954 -7.163 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -4.665 -9.822 -7.324 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -6.717 -11.222 -7.311 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -5.542 -11.678 -6.174 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -6.922 -10.826 -5.673 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.205 -6.858 -1.627 1.00 1.13 N ATOM 1144 CA ILE A 81 -2.968 -6.228 -0.333 1.00 1.19 C ATOM 1145 C ILE A 81 -3.481 -7.119 0.793 1.00 1.22 C ATOM 1146 O ILE A 81 -3.323 -6.811 1.974 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.675 -4.861 -0.243 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -5.181 -5.035 -0.472 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -3.079 -3.888 -1.254 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -5.982 -3.770 -0.270 1.00 2.55 C ATOM 0 H ILE A 81 -4.132 -6.683 -2.014 1.00 1.13 H new ATOM 0 HA ILE A 81 -1.893 -6.082 -0.232 1.00 1.19 H new ATOM 0 HB ILE A 81 -3.523 -4.447 0.754 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.344 -5.399 -1.486 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -5.555 -5.802 0.206 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.588 -2.927 -1.178 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -2.017 -3.753 -1.047 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -3.204 -4.287 -2.261 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -7.037 -3.975 -0.450 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -5.851 -3.416 0.752 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -5.637 -3.006 -0.966 1.00 2.55 H new ATOM 1162 N SER A 82 -4.105 -8.219 0.403 1.00 1.31 N ATOM 1163 CA SER A 82 -4.711 -9.144 1.342 1.00 1.50 C ATOM 1164 C SER A 82 -3.655 -9.844 2.198 1.00 1.47 C ATOM 1165 O SER A 82 -2.478 -9.895 1.838 1.00 1.81 O ATOM 1166 CB SER A 82 -5.525 -10.174 0.563 1.00 1.79 C ATOM 1167 OG SER A 82 -6.358 -9.540 -0.395 1.00 2.45 O ATOM 0 H SER A 82 -4.205 -8.494 -0.574 1.00 1.31 H new ATOM 0 HA SER A 82 -5.360 -8.586 2.017 1.00 1.50 H new ATOM 0 HB2 SER A 82 -4.853 -10.871 0.062 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.135 -10.758 1.252 1.00 1.79 H new ATOM 0 HG SER A 82 -6.869 -10.218 -0.884 1.00 2.45 H new ATOM 1173 N THR A 83 -4.085 -10.402 3.324 1.00 1.47 N ATOM 1174 CA THR A 83 -3.181 -11.100 4.229 1.00 1.50 C ATOM 1175 C THR A 83 -2.769 -12.455 3.657 1.00 1.59 C ATOM 1176 O THR A 83 -1.811 -13.075 4.120 1.00 1.72 O ATOM 1177 CB THR A 83 -3.827 -11.306 5.613 1.00 1.65 C ATOM 1178 OG1 THR A 83 -5.128 -11.893 5.464 1.00 2.04 O ATOM 1179 CG2 THR A 83 -3.948 -9.985 6.361 1.00 1.68 C ATOM 0 H THR A 83 -5.057 -10.384 3.632 1.00 1.47 H new ATOM 0 HA THR A 83 -2.294 -10.476 4.341 1.00 1.50 H new ATOM 0 HB THR A 83 -3.187 -11.974 6.189 1.00 1.65 H new ATOM 0 HG1 THR A 83 -5.532 -12.023 6.348 1.00 2.04 H new ATOM 0 HG21 THR A 83 -4.407 -10.159 7.334 1.00 1.68 H new ATOM 0 HG22 THR A 83 -2.957 -9.553 6.499 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.567 -9.297 5.786 1.00 1.68 H new ATOM 1187 N SER A 84 -3.496 -12.903 2.645 1.00 1.68 N ATOM 1188 CA SER A 84 -3.229 -14.187 2.013 1.00 1.82 C ATOM 1189 C SER A 84 -2.248 -14.032 0.849 1.00 1.55 C ATOM 1190 O SER A 84 -2.165 -14.894 -0.025 1.00 1.77 O ATOM 1191 CB SER A 84 -4.539 -14.785 1.514 1.00 2.22 C ATOM 1192 OG SER A 84 -5.530 -14.743 2.529 1.00 2.76 O ATOM 0 H SER A 84 -4.281 -12.392 2.241 1.00 1.68 H new ATOM 0 HA SER A 84 -2.777 -14.852 2.749 1.00 1.82 H new ATOM 0 HB2 SER A 84 -4.885 -14.235 0.639 1.00 2.22 H new ATOM 0 HB3 SER A 84 -4.377 -15.816 1.200 1.00 2.22 H new ATOM 0 HG SER A 84 -6.364 -15.130 2.189 1.00 2.76 H new ATOM 1198 N THR A 85 -1.516 -12.929 0.847 1.00 1.28 N ATOM 1199 CA THR A 85 -0.541 -12.657 -0.193 1.00 1.11 C ATOM 1200 C THR A 85 0.801 -13.280 0.166 1.00 0.96 C ATOM 1201 O THR A 85 1.303 -13.103 1.277 1.00 1.52 O ATOM 1202 CB THR A 85 -0.388 -11.134 -0.397 1.00 1.30 C ATOM 1203 OG1 THR A 85 -1.681 -10.548 -0.604 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.505 -10.809 -1.584 1.00 0.91 C ATOM 0 H THR A 85 -1.581 -12.203 1.561 1.00 1.28 H new ATOM 0 HA THR A 85 -0.892 -13.100 -1.125 1.00 1.11 H new ATOM 0 HB THR A 85 0.078 -10.723 0.498 1.00 1.30 H new ATOM 0 HG1 THR A 85 -2.065 -10.289 0.260 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.586 -9.727 -1.693 1.00 0.91 H new ATOM 0 HG22 THR A 85 1.496 -11.233 -1.421 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.074 -11.233 -2.491 1.00 0.91 H new ATOM 1212 N ASN A 86 1.365 -14.026 -0.774 1.00 1.23 N ATOM 1213 CA ASN A 86 2.639 -14.695 -0.555 1.00 1.36 C ATOM 1214 C ASN A 86 3.801 -13.713 -0.709 1.00 1.10 C ATOM 1215 O ASN A 86 4.570 -13.762 -1.671 1.00 1.53 O ATOM 1216 CB ASN A 86 2.792 -15.903 -1.495 1.00 1.81 C ATOM 1217 CG ASN A 86 2.616 -15.566 -2.967 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.569 -15.203 -3.661 1.00 3.05 O ATOM 1219 ND2 ASN A 86 1.400 -15.723 -3.466 1.00 2.73 N ATOM 0 H ASN A 86 0.959 -14.183 -1.697 1.00 1.23 H new ATOM 0 HA ASN A 86 2.658 -15.071 0.468 1.00 1.36 H new ATOM 0 HB2 ASN A 86 3.779 -16.342 -1.349 1.00 1.81 H new ATOM 0 HB3 ASN A 86 2.061 -16.662 -1.217 1.00 1.81 H new ATOM 0 HD21 ASN A 86 1.227 -15.542 -4.455 1.00 2.73 H new ATOM 0 HD22 ASN A 86 0.636 -16.025 -2.862 1.00 2.73 H new ATOM 1226 N CYS A 87 3.917 -12.820 0.263 1.00 0.87 N ATOM 1227 CA CYS A 87 4.925 -11.765 0.245 1.00 0.72 C ATOM 1228 C CYS A 87 6.338 -12.342 0.313 1.00 0.83 C ATOM 1229 O CYS A 87 7.311 -11.658 -0.005 1.00 1.10 O ATOM 1230 CB CYS A 87 4.689 -10.804 1.409 1.00 0.90 C ATOM 1231 SG CYS A 87 2.984 -10.163 1.489 1.00 1.71 S ATOM 0 H CYS A 87 3.316 -12.805 1.087 1.00 0.87 H new ATOM 0 HA CYS A 87 4.833 -11.223 -0.696 1.00 0.72 H new ATOM 0 HB2 CYS A 87 4.921 -11.314 2.344 1.00 0.90 H new ATOM 0 HB3 CYS A 87 5.380 -9.966 1.323 1.00 0.90 H new ATOM 1236 N ASN A 88 6.443 -13.603 0.721 1.00 0.91 N ATOM 1237 CA ASN A 88 7.729 -14.293 0.764 1.00 1.09 C ATOM 1238 C ASN A 88 8.309 -14.452 -0.641 1.00 1.10 C ATOM 1239 O ASN A 88 9.526 -14.534 -0.814 1.00 1.24 O ATOM 1240 CB ASN A 88 7.574 -15.667 1.431 1.00 1.38 C ATOM 1241 CG ASN A 88 8.874 -16.452 1.492 1.00 2.04 C ATOM 1242 OD1 ASN A 88 9.189 -17.228 0.588 1.00 2.76 O ATOM 1243 ND2 ASN A 88 9.634 -16.268 2.561 1.00 2.55 N ATOM 0 H ASN A 88 5.652 -14.169 1.027 1.00 0.91 H new ATOM 0 HA ASN A 88 8.419 -13.690 1.353 1.00 1.09 H new ATOM 0 HB2 ASN A 88 7.191 -15.532 2.442 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.831 -16.248 0.884 1.00 1.38 H new ATOM 0 HD21 ASN A 88 10.513 -16.777 2.656 1.00 2.55 H new ATOM 0 HD22 ASN A 88 9.341 -15.617 3.289 1.00 2.55 H new ATOM 1250 N SER A 89 7.439 -14.483 -1.645 1.00 1.12 N ATOM 1251 CA SER A 89 7.880 -14.664 -3.018 1.00 1.29 C ATOM 1252 C SER A 89 7.526 -13.450 -3.872 1.00 1.42 C ATOM 1253 O SER A 89 8.404 -12.648 -4.198 1.00 2.21 O ATOM 1254 CB SER A 89 7.262 -15.930 -3.613 1.00 1.53 C ATOM 1255 OG SER A 89 7.583 -17.071 -2.832 1.00 2.11 O ATOM 0 H SER A 89 6.430 -14.385 -1.532 1.00 1.12 H new ATOM 0 HA SER A 89 8.965 -14.771 -3.013 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.179 -15.818 -3.670 1.00 1.53 H new ATOM 0 HB3 SER A 89 7.622 -16.070 -4.632 1.00 1.53 H new ATOM 0 HG SER A 89 7.175 -17.867 -3.232 1.00 2.11 H new ATOM 1261 N ILE A 90 6.230 -13.319 -4.188 1.00 1.14 N ATOM 1262 CA ILE A 90 5.710 -12.272 -5.083 1.00 1.35 C ATOM 1263 C ILE A 90 6.683 -11.942 -6.219 1.00 1.76 C ATOM 1264 O ILE A 90 7.014 -12.810 -7.030 1.00 2.17 O ATOM 1265 CB ILE A 90 5.300 -10.975 -4.327 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.417 -10.477 -3.397 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.017 -11.205 -3.544 1.00 1.14 C ATOM 1268 CD1 ILE A 90 6.124 -9.137 -2.755 1.00 0.97 C ATOM 0 H ILE A 90 5.506 -13.941 -3.828 1.00 1.14 H new ATOM 0 HA ILE A 90 4.806 -12.693 -5.522 1.00 1.35 H new ATOM 0 HB ILE A 90 5.128 -10.199 -5.073 1.00 1.10 H new ATOM 0 HG12 ILE A 90 6.582 -11.217 -2.614 1.00 1.08 H new ATOM 0 HG13 ILE A 90 7.344 -10.402 -3.965 1.00 1.08 H new ATOM 0 HG21 ILE A 90 3.742 -10.290 -3.020 1.00 1.14 H new ATOM 0 HG22 ILE A 90 3.217 -11.485 -4.230 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.171 -12.005 -2.820 1.00 1.14 H new ATOM 0 HD11 ILE A 90 6.957 -8.851 -2.113 1.00 0.97 H new ATOM 0 HD12 ILE A 90 5.989 -8.384 -3.531 1.00 0.97 H new ATOM 0 HD13 ILE A 90 5.215 -9.210 -2.158 1.00 0.97 H new ATOM 1280 N ASN A 91 7.128 -10.692 -6.272 1.00 2.27 N ATOM 1281 CA ASN A 91 8.113 -10.251 -7.243 1.00 2.91 C ATOM 1282 C ASN A 91 8.484 -8.810 -6.955 1.00 3.60 C ATOM 1283 O ASN A 91 9.604 -8.568 -6.462 1.00 4.24 O ATOM 1284 CB ASN A 91 7.593 -10.376 -8.679 1.00 3.41 C ATOM 1285 CG ASN A 91 8.639 -9.995 -9.714 1.00 4.21 C ATOM 1286 OD1 ASN A 91 8.314 -9.488 -10.789 1.00 4.78 O ATOM 1287 ND2 ASN A 91 9.905 -10.243 -9.403 1.00 4.68 N ATOM 1288 OXT ASN A 91 7.635 -7.930 -7.200 1.00 3.95 O ATOM 0 H ASN A 91 6.813 -9.956 -5.640 1.00 2.27 H new ATOM 0 HA ASN A 91 8.990 -10.892 -7.154 1.00 2.91 H new ATOM 0 HB2 ASN A 91 7.268 -11.401 -8.856 1.00 3.41 H new ATOM 0 HB3 ASN A 91 6.717 -9.739 -8.801 1.00 3.41 H new ATOM 0 HD21 ASN A 91 10.647 -10.013 -10.064 1.00 4.68 H new ATOM 0 HD22 ASN A 91 10.136 -10.664 -8.503 1.00 4.68 H new TER 1295 ASN A 91