USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 MET CE :methyl -159:sc= -6.17! (180deg=-6.62!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 68 HIS : no HE2:sc= -0.255 K(o=-0.27,f=-2.1!) USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= -0.0124 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.623 K(o=1.3,f=-0.65) USER MOD Set 3.2: A 71 THR OG1 : rot -153:sc= 0.695 USER MOD Set 4.1: A 4 ASN : amide:sc= -0.595 K(o=-0.73,f=-7.7!) USER MOD Set 4.2: A 7 ASN : amide:sc= -0.132 K(o=-0.73,f=-2.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 29:sc= 1.13 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.761 K(o=0.76,f=-8!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00455 X(o=-0.0046,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -140:sc=-0.000908 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.15! K(o=-3.1!,f=-0.71) USER MOD Single : A 38 ASN : amide:sc= 0.788 K(o=0.79,f=-7.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.689 K(o=-0.69,f=-5.3!) USER MOD Single : A 45 ASN : amide:sc= -5.29! C(o=-5.3!,f=-7.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= -0.2 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0386) USER MOD Single : A 62 THR OG1 : rot -160:sc= 1.28 USER MOD Single : A 73 SER OG : rot -150:sc= 0.624 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.9!) USER MOD Single : A 84 SER OG : rot -90:sc= -2.02 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.325 K(o=-0.33,f=-0.92) USER MOD Single : A 94 ASN : amide:sc= -1.96! C(o=-2!,f=-6.3!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -118:sc= -0.649 (180deg=-2.16) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.243 -4.249 -0.921 1.00 0.00 N ATOM 34 CA CYS A 3 10.152 -4.884 -0.208 1.00 0.00 C ATOM 35 C CYS A 3 9.305 -5.725 -1.162 1.00 0.00 C ATOM 36 O CYS A 3 9.223 -6.942 -1.005 1.00 0.00 O ATOM 37 CB CYS A 3 9.313 -3.806 0.471 1.00 0.00 C ATOM 38 SG CYS A 3 10.275 -2.716 1.569 1.00 0.00 S ATOM 0 HA CYS A 3 10.550 -5.557 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.827 -3.200 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.522 -4.284 1.049 1.00 0.00 H new ATOM 42 N ASN A 4 8.680 -5.048 -2.135 1.00 0.00 N ATOM 43 CA ASN A 4 7.848 -5.672 -3.182 1.00 0.00 C ATOM 44 C ASN A 4 7.088 -6.922 -2.724 1.00 0.00 C ATOM 45 O ASN A 4 7.473 -8.050 -3.036 1.00 0.00 O ATOM 46 CB ASN A 4 8.697 -5.977 -4.431 1.00 0.00 C ATOM 47 CG ASN A 4 10.013 -6.689 -4.136 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.081 -7.916 -4.113 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.075 -5.922 -3.935 1.00 0.00 N ATOM 0 H ASN A 4 8.737 -4.033 -2.221 1.00 0.00 H new ATOM 0 HA ASN A 4 7.080 -4.939 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.110 -6.591 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.911 -5.042 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.984 -6.347 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.983 -4.906 -3.961 1.00 0.00 H new ATOM 55 N PHE A 5 5.976 -6.719 -2.016 1.00 0.00 N ATOM 56 CA PHE A 5 5.167 -7.837 -1.525 1.00 0.00 C ATOM 57 C PHE A 5 4.645 -8.710 -2.675 1.00 0.00 C ATOM 58 O PHE A 5 4.508 -9.925 -2.535 1.00 0.00 O ATOM 59 CB PHE A 5 3.981 -7.315 -0.697 1.00 0.00 C ATOM 60 CG PHE A 5 2.846 -6.750 -1.515 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.033 -5.645 -2.332 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.588 -7.333 -1.464 1.00 0.00 C ATOM 63 CE1 PHE A 5 1.989 -5.133 -3.081 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.542 -6.824 -2.211 1.00 0.00 C ATOM 65 CZ PHE A 5 0.743 -5.723 -3.020 1.00 0.00 C ATOM 0 H PHE A 5 5.616 -5.797 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 5 5.811 -8.452 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.598 -8.129 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.341 -6.543 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.006 -5.179 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.424 -8.194 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.149 -4.272 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.432 -7.287 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.073 -5.324 -3.604 1.00 0.00 H new ATOM 74 N ALA A 6 4.394 -8.082 -3.820 1.00 0.00 N ATOM 75 CA ALA A 6 3.848 -8.770 -4.987 1.00 0.00 C ATOM 76 C ALA A 6 4.798 -9.810 -5.579 1.00 0.00 C ATOM 77 O ALA A 6 4.352 -10.748 -6.240 1.00 0.00 O ATOM 78 CB ALA A 6 3.463 -7.752 -6.040 1.00 0.00 C ATOM 0 H ALA A 6 4.562 -7.087 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 6 2.968 -9.319 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.056 -8.266 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.712 -7.075 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.344 -7.182 -6.334 1.00 0.00 H new ATOM 84 N ASN A 7 6.095 -9.668 -5.332 1.00 0.00 N ATOM 85 CA ASN A 7 7.068 -10.619 -5.868 1.00 0.00 C ATOM 86 C ASN A 7 6.955 -11.972 -5.180 1.00 0.00 C ATOM 87 O ASN A 7 7.607 -12.938 -5.576 1.00 0.00 O ATOM 88 CB ASN A 7 8.496 -10.092 -5.736 1.00 0.00 C ATOM 89 CG ASN A 7 8.969 -9.361 -6.980 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.540 -9.657 -8.095 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.867 -8.409 -6.796 1.00 0.00 N ATOM 0 H ASN A 7 6.496 -8.915 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 7 6.840 -10.743 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.553 -9.419 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.169 -10.925 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.230 -7.889 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.197 -8.194 -5.855 1.00 0.00 H new ATOM 97 N SER A 8 6.141 -12.034 -4.141 1.00 0.00 N ATOM 98 CA SER A 8 5.932 -13.267 -3.409 1.00 0.00 C ATOM 99 C SER A 8 4.490 -13.357 -2.919 1.00 0.00 C ATOM 100 O SER A 8 4.199 -14.012 -1.920 1.00 0.00 O ATOM 101 CB SER A 8 6.909 -13.350 -2.237 1.00 0.00 C ATOM 102 OG SER A 8 8.248 -13.322 -2.694 1.00 0.00 O ATOM 0 H SER A 8 5.612 -11.238 -3.785 1.00 0.00 H new ATOM 0 HA SER A 8 6.117 -14.110 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.736 -12.518 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.731 -14.266 -1.674 1.00 0.00 H new ATOM 0 HG SER A 8 8.856 -13.375 -1.928 1.00 0.00 H new ATOM 107 N CYS A 9 3.588 -12.700 -3.636 1.00 0.00 N ATOM 108 CA CYS A 9 2.178 -12.706 -3.278 1.00 0.00 C ATOM 109 C CYS A 9 1.321 -12.977 -4.501 1.00 0.00 C ATOM 110 O CYS A 9 1.680 -12.599 -5.616 1.00 0.00 O ATOM 111 CB CYS A 9 1.762 -11.374 -2.650 1.00 0.00 C ATOM 112 SG CYS A 9 0.945 -11.546 -1.028 1.00 0.00 S ATOM 0 H CYS A 9 3.809 -12.156 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 9 2.027 -13.500 -2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.645 -10.745 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.088 -10.856 -3.332 1.00 0.00 H new ATOM 116 N THR A 10 0.197 -13.642 -4.287 1.00 0.00 N ATOM 117 CA THR A 10 -0.717 -13.965 -5.367 1.00 0.00 C ATOM 118 C THR A 10 -2.163 -13.790 -4.918 1.00 0.00 C ATOM 119 O THR A 10 -2.483 -13.998 -3.744 1.00 0.00 O ATOM 120 CB THR A 10 -0.511 -15.409 -5.860 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.398 -16.300 -4.740 1.00 0.00 O ATOM 122 CG2 THR A 10 0.729 -15.517 -6.733 1.00 0.00 C ATOM 0 H THR A 10 -0.104 -13.970 -3.369 1.00 0.00 H new ATOM 0 HA THR A 10 -0.506 -13.279 -6.188 1.00 0.00 H new ATOM 0 HB THR A 10 -1.377 -15.689 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.269 -17.216 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.850 -16.547 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.622 -14.865 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.605 -15.216 -6.159 1.00 0.00 H new ATOM 130 N GLY A 11 -3.025 -13.409 -5.852 1.00 0.00 N ATOM 131 CA GLY A 11 -4.427 -13.209 -5.541 1.00 0.00 C ATOM 132 C GLY A 11 -4.636 -12.114 -4.517 1.00 0.00 C ATOM 133 O GLY A 11 -5.182 -12.356 -3.440 1.00 0.00 O ATOM 0 H GLY A 11 -2.776 -13.234 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.967 -12.958 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.850 -14.141 -5.166 1.00 0.00 H new ATOM 137 N VAL A 12 -4.185 -10.916 -4.845 1.00 0.00 N ATOM 138 CA VAL A 12 -4.318 -9.782 -3.947 1.00 0.00 C ATOM 139 C VAL A 12 -5.565 -8.973 -4.285 1.00 0.00 C ATOM 140 O VAL A 12 -5.837 -8.680 -5.450 1.00 0.00 O ATOM 141 CB VAL A 12 -3.067 -8.881 -3.982 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.880 -9.609 -3.373 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.748 -8.445 -5.403 1.00 0.00 C ATOM 0 H VAL A 12 -3.722 -10.703 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.417 -10.174 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.274 -7.987 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.003 -8.963 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.104 -9.868 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.681 -10.518 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.862 -7.811 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.562 -9.324 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.591 -7.887 -5.810 1.00 0.00 H new ATOM 153 N GLU A 13 -6.329 -8.638 -3.259 1.00 0.00 N ATOM 154 CA GLU A 13 -7.558 -7.879 -3.428 1.00 0.00 C ATOM 155 C GLU A 13 -7.571 -6.670 -2.499 1.00 0.00 C ATOM 156 O GLU A 13 -7.099 -6.748 -1.362 1.00 0.00 O ATOM 157 CB GLU A 13 -8.761 -8.775 -3.132 1.00 0.00 C ATOM 158 CG GLU A 13 -8.872 -9.979 -4.054 1.00 0.00 C ATOM 159 CD GLU A 13 -9.898 -10.980 -3.572 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.075 -10.601 -3.413 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.533 -12.151 -3.338 1.00 0.00 O ATOM 0 H GLU A 13 -6.118 -8.882 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.614 -7.526 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.698 -9.123 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.672 -8.182 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.139 -9.643 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.900 -10.466 -4.130 1.00 0.00 H new ATOM 166 N LEU A 14 -8.105 -5.556 -2.985 1.00 0.00 N ATOM 167 CA LEU A 14 -8.178 -4.338 -2.194 1.00 0.00 C ATOM 168 C LEU A 14 -9.613 -4.063 -1.756 1.00 0.00 C ATOM 169 O LEU A 14 -10.486 -3.779 -2.578 1.00 0.00 O ATOM 170 CB LEU A 14 -7.622 -3.155 -2.995 1.00 0.00 C ATOM 171 CG LEU A 14 -7.719 -1.777 -2.325 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.269 -1.829 -0.873 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.876 -0.784 -3.086 1.00 0.00 C ATOM 0 H LEU A 14 -8.494 -5.473 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.571 -4.469 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.574 -3.355 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.148 -3.110 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.764 -1.466 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.351 -0.836 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.900 -2.525 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.233 -2.163 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.946 0.194 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.837 -1.114 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.235 -0.713 -4.113 1.00 0.00 H new ATOM 184 N TYR A 15 -9.852 -4.159 -0.457 1.00 0.00 N ATOM 185 CA TYR A 15 -11.175 -3.912 0.090 1.00 0.00 C ATOM 186 C TYR A 15 -11.201 -2.559 0.785 1.00 0.00 C ATOM 187 O TYR A 15 -10.781 -2.442 1.935 1.00 0.00 O ATOM 188 CB TYR A 15 -11.562 -4.999 1.097 1.00 0.00 C ATOM 189 CG TYR A 15 -11.424 -6.415 0.583 1.00 0.00 C ATOM 190 CD1 TYR A 15 -12.331 -6.940 -0.327 1.00 0.00 C ATOM 191 CD2 TYR A 15 -10.392 -7.231 1.028 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.213 -8.241 -0.778 1.00 0.00 C ATOM 193 CE2 TYR A 15 -10.266 -8.529 0.578 1.00 0.00 C ATOM 194 CZ TYR A 15 -11.178 -9.030 -0.323 1.00 0.00 C ATOM 195 OH TYR A 15 -11.061 -10.331 -0.760 1.00 0.00 O ATOM 0 H TYR A 15 -9.146 -4.406 0.237 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.890 -3.923 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.942 -4.888 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.595 -4.838 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.141 -6.323 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.676 -6.843 1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.928 -8.638 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.455 -9.149 0.931 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.440 -10.409 -1.660 1.00 0.00 H new ATOM 204 N GLY A 16 -11.688 -1.543 0.084 1.00 0.00 N ATOM 205 CA GLY A 16 -11.766 -0.205 0.652 1.00 0.00 C ATOM 206 C GLY A 16 -10.405 0.444 0.870 1.00 0.00 C ATOM 207 O GLY A 16 -10.093 1.461 0.259 1.00 0.00 O ATOM 0 H GLY A 16 -12.033 -1.620 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.359 0.427 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.293 -0.254 1.605 1.00 0.00 H new ATOM 211 N TYR A 17 -9.607 -0.144 1.751 1.00 0.00 N ATOM 212 CA TYR A 17 -8.281 0.363 2.075 1.00 0.00 C ATOM 213 C TYR A 17 -7.394 -0.734 2.670 1.00 0.00 C ATOM 214 O TYR A 17 -6.373 -0.442 3.297 1.00 0.00 O ATOM 215 CB TYR A 17 -8.374 1.546 3.047 1.00 0.00 C ATOM 216 CG TYR A 17 -9.406 1.370 4.146 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.107 0.667 5.304 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.680 1.910 4.020 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.045 0.506 6.306 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.624 1.755 5.016 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.303 1.052 6.155 1.00 0.00 C ATOM 222 OH TYR A 17 -12.247 0.889 7.143 1.00 0.00 O ATOM 0 H TYR A 17 -9.862 -0.989 2.263 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.825 0.704 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.397 1.704 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.611 2.448 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.123 0.238 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.937 2.461 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.795 -0.044 7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.609 2.183 4.902 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.078 1.337 6.879 1.00 0.00 H new ATOM 231 N ILE A 18 -7.793 -1.989 2.492 1.00 0.00 N ATOM 232 CA ILE A 18 -7.022 -3.116 2.999 1.00 0.00 C ATOM 233 C ILE A 18 -6.655 -4.058 1.863 1.00 0.00 C ATOM 234 O ILE A 18 -7.497 -4.417 1.039 1.00 0.00 O ATOM 235 CB ILE A 18 -7.757 -3.903 4.105 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.136 -4.374 3.629 1.00 0.00 C ATOM 237 CG2 ILE A 18 -7.875 -3.058 5.365 1.00 0.00 C ATOM 238 CD1 ILE A 18 -9.858 -5.252 4.630 1.00 0.00 C ATOM 0 H ILE A 18 -8.647 -2.250 2.000 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.121 -2.697 3.446 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.170 -4.791 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.753 -3.502 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.020 -4.923 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.395 -3.626 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.879 -2.792 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.435 -2.150 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.826 -5.546 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.262 -6.143 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.006 -4.700 5.558 1.00 0.00 H new ATOM 249 N LEU A 19 -5.395 -4.439 1.820 1.00 0.00 N ATOM 250 CA LEU A 19 -4.892 -5.327 0.792 1.00 0.00 C ATOM 251 C LEU A 19 -4.698 -6.715 1.363 1.00 0.00 C ATOM 252 O LEU A 19 -3.860 -6.917 2.234 1.00 0.00 O ATOM 253 CB LEU A 19 -3.557 -4.804 0.269 1.00 0.00 C ATOM 254 CG LEU A 19 -3.432 -4.725 -1.248 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.644 -6.089 -1.886 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.423 -3.718 -1.785 1.00 0.00 C ATOM 0 H LEU A 19 -4.691 -4.142 2.496 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.612 -5.369 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.389 -3.809 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.762 -5.445 0.649 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.423 -4.400 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.549 -6.003 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.895 -6.787 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.640 -6.456 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.333 -3.662 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.434 -4.026 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.217 -2.739 -1.353 1.00 0.00 H new ATOM 267 N ARG A 20 -5.465 -7.663 0.884 1.00 0.00 N ATOM 268 CA ARG A 20 -5.347 -9.022 1.365 1.00 0.00 C ATOM 269 C ARG A 20 -4.932 -9.934 0.228 1.00 0.00 C ATOM 270 O ARG A 20 -5.441 -9.815 -0.886 1.00 0.00 O ATOM 271 CB ARG A 20 -6.664 -9.500 1.968 1.00 0.00 C ATOM 272 CG ARG A 20 -6.568 -10.868 2.621 1.00 0.00 C ATOM 273 CD ARG A 20 -7.623 -11.810 2.062 1.00 0.00 C ATOM 274 NE ARG A 20 -7.658 -13.102 2.751 1.00 0.00 N ATOM 275 CZ ARG A 20 -7.974 -14.254 2.152 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.270 -14.275 0.856 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.022 -15.380 2.851 1.00 0.00 N ATOM 0 H ARG A 20 -6.175 -7.523 0.165 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.586 -9.050 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.000 -8.775 2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.423 -9.531 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.576 -11.287 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.696 -10.771 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.602 -11.337 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.430 -11.975 1.002 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.428 -13.124 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.256 -13.410 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.511 -15.156 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.817 -15.369 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.264 -16.257 2.389 1.00 0.00 H new ATOM 288 N GLY A 21 -4.005 -10.827 0.508 1.00 0.00 N ATOM 289 CA GLY A 21 -3.542 -11.741 -0.511 1.00 0.00 C ATOM 290 C GLY A 21 -2.778 -12.907 0.067 1.00 0.00 C ATOM 291 O GLY A 21 -2.618 -13.014 1.285 1.00 0.00 O ATOM 0 H GLY A 21 -3.563 -10.938 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.396 -12.114 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.904 -11.205 -1.214 1.00 0.00 H new ATOM 295 N ASP A 22 -2.307 -13.782 -0.808 1.00 0.00 N ATOM 296 CA ASP A 22 -1.554 -14.953 -0.393 1.00 0.00 C ATOM 297 C ASP A 22 -0.070 -14.717 -0.615 1.00 0.00 C ATOM 298 O ASP A 22 0.407 -14.763 -1.751 1.00 0.00 O ATOM 299 CB ASP A 22 -1.993 -16.194 -1.183 1.00 0.00 C ATOM 300 CG ASP A 22 -3.428 -16.604 -0.916 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.664 -17.388 0.027 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.329 -16.163 -1.662 1.00 0.00 O ATOM 0 H ASP A 22 -2.435 -13.701 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.747 -15.124 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.871 -15.999 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.334 -17.025 -0.934 1.00 0.00 H new ATOM 306 N CYS A 23 0.660 -14.471 0.460 1.00 0.00 N ATOM 307 CA CYS A 23 2.091 -14.228 0.363 1.00 0.00 C ATOM 308 C CYS A 23 2.864 -15.448 0.851 1.00 0.00 C ATOM 309 O CYS A 23 2.593 -15.981 1.924 1.00 0.00 O ATOM 310 CB CYS A 23 2.485 -13.002 1.195 1.00 0.00 C ATOM 311 SG CYS A 23 2.468 -11.404 0.304 1.00 0.00 S ATOM 0 H CYS A 23 0.287 -14.434 1.409 1.00 0.00 H new ATOM 0 HA CYS A 23 2.338 -14.040 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.808 -12.930 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.486 -13.163 1.596 1.00 0.00 H new ATOM 315 N ILE A 24 3.844 -15.864 0.070 1.00 0.00 N ATOM 316 CA ILE A 24 4.646 -17.034 0.394 1.00 0.00 C ATOM 317 C ILE A 24 5.643 -16.728 1.506 1.00 0.00 C ATOM 318 O ILE A 24 6.332 -15.711 1.472 1.00 0.00 O ATOM 319 CB ILE A 24 5.406 -17.544 -0.849 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.417 -17.861 -1.978 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.239 -18.770 -0.507 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.079 -18.370 -3.244 1.00 0.00 C ATOM 0 H ILE A 24 4.107 -15.405 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 24 3.962 -17.810 0.737 1.00 0.00 H new ATOM 0 HB ILE A 24 6.083 -16.760 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.705 -18.607 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.847 -16.962 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.766 -19.112 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.963 -18.514 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.586 -19.564 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.317 -18.573 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.771 -17.617 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.626 -19.287 -3.025 1.00 0.00 H new ATOM 333 N ASN A 25 5.705 -17.611 2.492 1.00 0.00 N ATOM 334 CA ASN A 25 6.619 -17.438 3.612 1.00 0.00 C ATOM 335 C ASN A 25 7.842 -18.334 3.429 1.00 0.00 C ATOM 336 O ASN A 25 7.999 -18.947 2.373 1.00 0.00 O ATOM 337 CB ASN A 25 5.909 -17.742 4.939 1.00 0.00 C ATOM 338 CG ASN A 25 5.705 -19.219 5.195 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.505 -19.852 5.877 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.645 -19.777 4.643 1.00 0.00 N ATOM 0 H ASN A 25 5.133 -18.454 2.539 1.00 0.00 H new ATOM 0 HA ASN A 25 6.951 -16.400 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.490 -17.317 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.939 -17.244 4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.465 -20.772 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.005 -19.213 4.083 1.00 0.00 H new ATOM 346 N GLU A 26 8.691 -18.422 4.446 1.00 0.00 N ATOM 347 CA GLU A 26 9.907 -19.239 4.376 1.00 0.00 C ATOM 348 C GLU A 26 9.593 -20.700 4.021 1.00 0.00 C ATOM 349 O GLU A 26 10.397 -21.376 3.380 1.00 0.00 O ATOM 350 CB GLU A 26 10.661 -19.160 5.707 1.00 0.00 C ATOM 351 CG GLU A 26 9.916 -19.787 6.875 1.00 0.00 C ATOM 352 CD GLU A 26 10.587 -19.528 8.207 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.765 -19.902 8.372 1.00 0.00 O ATOM 354 OE2 GLU A 26 9.929 -18.961 9.100 1.00 0.00 O ATOM 0 H GLU A 26 8.563 -17.937 5.334 1.00 0.00 H new ATOM 0 HA GLU A 26 10.536 -18.841 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.626 -19.655 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.863 -18.114 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.899 -19.395 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.839 -20.862 6.715 1.00 0.00 H new ATOM 359 N ASP A 27 8.410 -21.167 4.420 1.00 0.00 N ATOM 360 CA ASP A 27 7.975 -22.541 4.159 1.00 0.00 C ATOM 361 C ASP A 27 7.832 -22.813 2.665 1.00 0.00 C ATOM 362 O ASP A 27 7.887 -23.960 2.220 1.00 0.00 O ATOM 363 CB ASP A 27 6.642 -22.812 4.860 1.00 0.00 C ATOM 364 CG ASP A 27 6.193 -24.257 4.739 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.023 -25.165 4.953 1.00 0.00 O ATOM 366 OD2 ASP A 27 4.998 -24.495 4.462 1.00 0.00 O ATOM 0 H ASP A 27 7.728 -20.607 4.931 1.00 0.00 H new ATOM 0 HA ASP A 27 8.741 -23.209 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.733 -22.552 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.876 -22.162 4.437 1.00 0.00 H new ATOM 370 N GLY A 28 7.652 -21.755 1.893 1.00 0.00 N ATOM 371 CA GLY A 28 7.493 -21.909 0.462 1.00 0.00 C ATOM 372 C GLY A 28 6.036 -22.044 0.083 1.00 0.00 C ATOM 373 O GLY A 28 5.701 -22.311 -1.070 1.00 0.00 O ATOM 0 H GLY A 28 7.613 -20.793 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.926 -21.049 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.042 -22.789 0.126 1.00 0.00 H new ATOM 377 N HIS A 29 5.170 -21.858 1.068 1.00 0.00 N ATOM 378 CA HIS A 29 3.731 -21.951 0.867 1.00 0.00 C ATOM 379 C HIS A 29 3.082 -20.587 1.049 1.00 0.00 C ATOM 380 O HIS A 29 3.515 -19.791 1.890 1.00 0.00 O ATOM 381 CB HIS A 29 3.118 -22.953 1.851 1.00 0.00 C ATOM 382 CG HIS A 29 3.416 -24.385 1.525 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.438 -25.303 1.222 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.590 -25.055 1.458 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.993 -26.475 0.982 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.299 -26.351 1.118 1.00 0.00 N ATOM 0 H HIS A 29 5.443 -21.639 2.026 1.00 0.00 H new ATOM 0 HA HIS A 29 3.548 -22.297 -0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.487 -22.735 2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.037 -22.813 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.573 -24.645 1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.468 -27.381 0.719 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.982 -27.098 0.991 1.00 0.00 H new ATOM 394 N PRO A 30 2.059 -20.287 0.238 1.00 0.00 N ATOM 395 CA PRO A 30 1.337 -19.019 0.310 1.00 0.00 C ATOM 396 C PRO A 30 0.491 -18.910 1.576 1.00 0.00 C ATOM 397 O PRO A 30 -0.376 -19.744 1.835 1.00 0.00 O ATOM 398 CB PRO A 30 0.447 -19.036 -0.935 1.00 0.00 C ATOM 399 CG PRO A 30 0.273 -20.478 -1.264 1.00 0.00 C ATOM 400 CD PRO A 30 1.539 -21.161 -0.831 1.00 0.00 C ATOM 0 HA PRO A 30 2.015 -18.166 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.513 -18.557 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.912 -18.496 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.591 -20.894 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.101 -20.616 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.345 -22.169 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.247 -21.251 -1.655 1.00 0.00 H new ATOM 405 N HIS A 31 0.763 -17.878 2.359 1.00 0.00 N ATOM 406 CA HIS A 31 0.049 -17.625 3.598 1.00 0.00 C ATOM 407 C HIS A 31 -0.787 -16.360 3.440 1.00 0.00 C ATOM 408 O HIS A 31 -0.272 -15.319 3.029 1.00 0.00 O ATOM 409 CB HIS A 31 1.050 -17.477 4.757 1.00 0.00 C ATOM 410 CG HIS A 31 0.420 -17.308 6.112 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.116 -18.369 6.941 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.072 -16.191 6.796 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.397 -17.910 8.069 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.432 -16.593 8.007 1.00 0.00 N ATOM 0 H HIS A 31 1.488 -17.191 2.151 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.612 -18.462 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.694 -18.356 4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.690 -16.617 4.559 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.173 -15.172 6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.731 -18.512 8.901 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.778 -15.974 8.740 1.00 0.00 H new ATOM 422 N ALA A 32 -2.071 -16.458 3.744 1.00 0.00 N ATOM 423 CA ALA A 32 -2.975 -15.325 3.626 1.00 0.00 C ATOM 424 C ALA A 32 -2.611 -14.220 4.612 1.00 0.00 C ATOM 425 O ALA A 32 -2.520 -14.447 5.817 1.00 0.00 O ATOM 426 CB ALA A 32 -4.413 -15.772 3.835 1.00 0.00 C ATOM 0 H ALA A 32 -2.513 -17.315 4.076 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.875 -14.919 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.078 -14.913 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.676 -16.516 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.518 -16.208 4.829 1.00 0.00 H new ATOM 432 N THR A 33 -2.394 -13.032 4.084 1.00 0.00 N ATOM 433 CA THR A 33 -2.047 -11.878 4.892 1.00 0.00 C ATOM 434 C THR A 33 -2.830 -10.667 4.407 1.00 0.00 C ATOM 435 O THR A 33 -3.327 -10.651 3.278 1.00 0.00 O ATOM 436 CB THR A 33 -0.532 -11.588 4.832 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.191 -10.520 5.727 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.106 -11.223 3.419 1.00 0.00 C ATOM 0 H THR A 33 -2.453 -12.839 3.084 1.00 0.00 H new ATOM 0 HA THR A 33 -2.305 -12.092 5.929 1.00 0.00 H new ATOM 0 HB THR A 33 -0.005 -12.493 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.474 -9.938 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.965 -11.023 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.331 -12.050 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.646 -10.334 3.094 1.00 0.00 H new ATOM 446 N SER A 34 -2.958 -9.668 5.258 1.00 0.00 N ATOM 447 CA SER A 34 -3.686 -8.469 4.906 1.00 0.00 C ATOM 448 C SER A 34 -2.976 -7.242 5.439 1.00 0.00 C ATOM 449 O SER A 34 -2.448 -7.260 6.545 1.00 0.00 O ATOM 450 CB SER A 34 -5.101 -8.544 5.457 1.00 0.00 C ATOM 451 OG SER A 34 -5.100 -8.792 6.857 1.00 0.00 O ATOM 0 H SER A 34 -2.566 -9.665 6.200 1.00 0.00 H new ATOM 0 HA SER A 34 -3.733 -8.392 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.623 -7.609 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.651 -9.335 4.946 1.00 0.00 H new ATOM 0 HG SER A 34 -6.023 -8.833 7.183 1.00 0.00 H new ATOM 456 N ILE A 35 -2.964 -6.184 4.649 1.00 0.00 N ATOM 457 CA ILE A 35 -2.307 -4.953 5.046 1.00 0.00 C ATOM 458 C ILE A 35 -3.282 -3.778 4.965 1.00 0.00 C ATOM 459 O ILE A 35 -4.157 -3.754 4.107 1.00 0.00 O ATOM 460 CB ILE A 35 -1.073 -4.637 4.159 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.217 -5.887 3.916 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.222 -3.550 4.794 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.558 -6.629 2.639 1.00 0.00 C ATOM 0 H ILE A 35 -3.402 -6.153 3.728 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.969 -5.094 6.073 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.447 -4.286 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.833 -5.596 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.335 -6.565 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.638 -3.343 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.816 -2.643 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.123 -3.883 5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.091 -7.499 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.598 -6.953 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.412 -5.968 1.784 1.00 0.00 H new ATOM 474 N ASN A 36 -3.131 -2.806 5.852 1.00 0.00 N ATOM 475 CA ASN A 36 -4.007 -1.640 5.849 1.00 0.00 C ATOM 476 C ASN A 36 -3.289 -0.457 5.206 1.00 0.00 C ATOM 477 O ASN A 36 -2.570 0.276 5.880 1.00 0.00 O ATOM 478 CB ASN A 36 -4.425 -1.273 7.276 1.00 0.00 C ATOM 479 CG ASN A 36 -5.783 -0.595 7.343 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.461 -0.651 8.365 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.205 0.026 6.254 1.00 0.00 N ATOM 0 H ASN A 36 -2.416 -2.799 6.579 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.902 -1.881 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.446 -2.176 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.674 -0.613 7.710 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.120 0.477 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.616 0.053 5.422 1.00 0.00 H new ATOM 487 N LEU A 37 -3.508 -0.259 3.906 1.00 0.00 N ATOM 488 CA LEU A 37 -2.860 0.824 3.166 1.00 0.00 C ATOM 489 C LEU A 37 -3.213 2.185 3.748 1.00 0.00 C ATOM 490 O LEU A 37 -2.447 3.135 3.625 1.00 0.00 O ATOM 491 CB LEU A 37 -3.260 0.822 1.681 1.00 0.00 C ATOM 492 CG LEU A 37 -3.017 -0.470 0.888 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.702 -1.127 1.276 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.175 -1.435 1.056 1.00 0.00 C ATOM 0 H LEU A 37 -4.131 -0.837 3.342 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.788 0.649 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.321 1.062 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.720 1.629 1.185 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.949 -0.199 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.565 -2.038 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.879 -0.441 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.718 -1.374 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.979 -2.342 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.288 -1.688 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.092 -0.970 0.694 1.00 0.00 H new ATOM 505 N ASN A 38 -4.374 2.273 4.387 1.00 0.00 N ATOM 506 CA ASN A 38 -4.837 3.533 4.964 1.00 0.00 C ATOM 507 C ASN A 38 -3.882 4.077 6.027 1.00 0.00 C ATOM 508 O ASN A 38 -3.959 5.243 6.391 1.00 0.00 O ATOM 509 CB ASN A 38 -6.237 3.373 5.554 1.00 0.00 C ATOM 510 CG ASN A 38 -7.022 4.669 5.504 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.732 5.541 4.691 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.035 4.798 6.343 1.00 0.00 N ATOM 0 H ASN A 38 -5.012 1.489 4.519 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.867 4.258 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.776 2.600 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.159 3.035 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.605 5.644 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.247 4.052 7.005 1.00 0.00 H new ATOM 518 N TYR A 39 -2.989 3.241 6.529 1.00 0.00 N ATOM 519 CA TYR A 39 -2.032 3.682 7.530 1.00 0.00 C ATOM 520 C TYR A 39 -0.627 3.742 6.947 1.00 0.00 C ATOM 521 O TYR A 39 0.340 3.974 7.668 1.00 0.00 O ATOM 522 CB TYR A 39 -2.057 2.754 8.745 1.00 0.00 C ATOM 523 CG TYR A 39 -3.311 2.886 9.577 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.555 4.042 10.303 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.242 1.859 9.642 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.694 4.175 11.073 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.386 1.983 10.411 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.606 3.143 11.124 1.00 0.00 C ATOM 529 OH TYR A 39 -6.745 3.274 11.892 1.00 0.00 O ATOM 0 H TYR A 39 -2.906 2.260 6.262 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.318 4.684 7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.962 1.722 8.407 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.191 2.965 9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.842 4.852 10.266 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.071 0.950 9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.869 5.082 11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.102 1.176 10.453 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.284 2.459 11.819 1.00 0.00 H new ATOM 538 N TYR A 40 -0.517 3.534 5.639 1.00 0.00 N ATOM 539 CA TYR A 40 0.787 3.552 4.984 1.00 0.00 C ATOM 540 C TYR A 40 0.822 4.493 3.785 1.00 0.00 C ATOM 541 O TYR A 40 1.887 4.971 3.411 1.00 0.00 O ATOM 542 CB TYR A 40 1.198 2.136 4.574 1.00 0.00 C ATOM 543 CG TYR A 40 1.208 1.173 5.739 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.994 1.419 6.857 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.413 0.034 5.734 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.987 0.560 7.937 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.404 -0.831 6.811 1.00 0.00 C ATOM 548 CZ TYR A 40 1.190 -0.562 7.909 1.00 0.00 C ATOM 549 OH TYR A 40 1.181 -1.422 8.982 1.00 0.00 O ATOM 0 H TYR A 40 -1.305 3.353 5.017 1.00 0.00 H new ATOM 0 HA TYR A 40 1.507 3.935 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.512 1.769 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.190 2.166 4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.622 2.298 6.882 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.207 -0.178 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.603 0.767 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.217 -1.714 6.792 1.00 0.00 H new ATOM 0 HH TYR A 40 0.565 -2.163 8.802 1.00 0.00 H new ATOM 558 N ILE A 41 -0.332 4.767 3.199 1.00 0.00 N ATOM 559 CA ILE A 41 -0.419 5.658 2.051 1.00 0.00 C ATOM 560 C ILE A 41 -1.184 6.923 2.427 1.00 0.00 C ATOM 561 O ILE A 41 -2.144 6.870 3.199 1.00 0.00 O ATOM 562 CB ILE A 41 -1.110 4.976 0.847 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.162 4.013 0.132 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.637 6.005 -0.139 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.025 2.669 0.802 1.00 0.00 C ATOM 0 H ILE A 41 -1.227 4.383 3.501 1.00 0.00 H new ATOM 0 HA ILE A 41 0.599 5.914 1.757 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.951 4.406 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.515 3.863 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.823 4.474 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.117 5.496 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.362 6.648 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.810 6.610 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.665 2.047 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.359 2.804 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.000 2.183 0.846 1.00 0.00 H new ATOM 576 N GLY A 42 -0.748 8.058 1.896 1.00 0.00 N ATOM 577 CA GLY A 42 -1.404 9.311 2.197 1.00 0.00 C ATOM 578 C GLY A 42 -2.015 9.967 0.977 1.00 0.00 C ATOM 579 O GLY A 42 -1.830 9.505 -0.150 1.00 0.00 O ATOM 0 H GLY A 42 0.048 8.131 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.184 9.137 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.683 9.993 2.647 1.00 0.00 H new ATOM 583 N ASN A 43 -2.736 11.052 1.213 1.00 0.00 N ATOM 584 CA ASN A 43 -3.398 11.800 0.145 1.00 0.00 C ATOM 585 C ASN A 43 -2.722 13.148 -0.060 1.00 0.00 C ATOM 586 O ASN A 43 -2.913 14.078 0.729 1.00 0.00 O ATOM 587 CB ASN A 43 -4.879 12.014 0.483 1.00 0.00 C ATOM 588 CG ASN A 43 -5.568 12.973 -0.475 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.226 13.057 -1.654 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.543 13.713 0.029 1.00 0.00 N ATOM 0 H ASN A 43 -2.881 11.441 2.145 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.321 11.221 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.394 11.054 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.963 12.399 1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.037 14.379 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.800 13.617 1.011 1.00 0.00 H new ATOM 596 N ASP A 44 -1.924 13.258 -1.109 1.00 0.00 N ATOM 597 CA ASP A 44 -1.228 14.503 -1.393 1.00 0.00 C ATOM 598 C ASP A 44 -1.750 15.152 -2.666 1.00 0.00 C ATOM 599 O ASP A 44 -1.503 14.655 -3.766 1.00 0.00 O ATOM 600 CB ASP A 44 0.274 14.268 -1.504 1.00 0.00 C ATOM 601 CG ASP A 44 1.027 15.538 -1.837 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.786 16.573 -1.172 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.870 15.509 -2.757 1.00 0.00 O ATOM 0 H ASP A 44 -1.742 12.506 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.418 15.182 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.647 13.862 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.467 13.520 -2.273 1.00 0.00 H new ATOM 607 N ASN A 45 -2.487 16.249 -2.506 1.00 0.00 N ATOM 608 CA ASN A 45 -3.034 17.002 -3.635 1.00 0.00 C ATOM 609 C ASN A 45 -3.952 16.118 -4.468 1.00 0.00 C ATOM 610 O ASN A 45 -3.952 16.177 -5.698 1.00 0.00 O ATOM 611 CB ASN A 45 -1.889 17.549 -4.495 1.00 0.00 C ATOM 612 CG ASN A 45 -2.291 18.696 -5.398 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.093 19.548 -5.027 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.726 18.726 -6.595 1.00 0.00 N ATOM 0 H ASN A 45 -2.722 16.641 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.620 17.838 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.083 17.881 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.490 16.740 -5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.953 19.477 -7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.064 17.998 -6.865 1.00 0.00 H new ATOM 620 N GLY A 46 -4.722 15.284 -3.782 1.00 0.00 N ATOM 621 CA GLY A 46 -5.645 14.391 -4.454 1.00 0.00 C ATOM 622 C GLY A 46 -4.944 13.250 -5.162 1.00 0.00 C ATOM 623 O GLY A 46 -5.493 12.655 -6.088 1.00 0.00 O ATOM 0 H GLY A 46 -4.723 15.210 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.347 13.985 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.230 14.958 -5.178 1.00 0.00 H new ATOM 627 N ARG A 47 -3.728 12.954 -4.735 1.00 0.00 N ATOM 628 CA ARG A 47 -2.943 11.887 -5.337 1.00 0.00 C ATOM 629 C ARG A 47 -2.466 10.889 -4.288 1.00 0.00 C ATOM 630 O ARG A 47 -2.253 11.253 -3.128 1.00 0.00 O ATOM 631 CB ARG A 47 -1.744 12.489 -6.068 1.00 0.00 C ATOM 632 CG ARG A 47 -1.804 12.334 -7.576 1.00 0.00 C ATOM 633 CD ARG A 47 -3.055 12.967 -8.178 1.00 0.00 C ATOM 634 NE ARG A 47 -3.145 14.398 -7.893 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.343 15.327 -8.825 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.533 14.974 -10.090 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.382 16.610 -8.491 1.00 0.00 N ATOM 0 H ARG A 47 -3.260 13.440 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.576 11.351 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.676 13.549 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.832 12.018 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.920 12.790 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.778 11.274 -7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.054 12.813 -9.257 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.939 12.464 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.051 14.702 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.528 13.988 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.684 15.689 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.260 16.887 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.534 17.319 -9.208 1.00 0.00 H new ATOM 648 N LEU A 48 -2.300 9.634 -4.704 1.00 0.00 N ATOM 649 CA LEU A 48 -1.822 8.583 -3.810 1.00 0.00 C ATOM 650 C LEU A 48 -0.331 8.783 -3.529 1.00 0.00 C ATOM 651 O LEU A 48 0.493 8.698 -4.439 1.00 0.00 O ATOM 652 CB LEU A 48 -2.044 7.181 -4.418 1.00 0.00 C ATOM 653 CG LEU A 48 -3.477 6.639 -4.421 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.208 7.013 -3.145 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.233 7.103 -5.649 1.00 0.00 C ATOM 0 H LEU A 48 -2.490 9.321 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.390 8.648 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.687 7.199 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.416 6.474 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.422 5.551 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.222 6.615 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.680 6.595 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.247 8.098 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.247 6.703 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.273 8.192 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.724 6.748 -6.545 1.00 0.00 H new ATOM 666 N GLU A 49 0.008 9.073 -2.279 1.00 0.00 N ATOM 667 CA GLU A 49 1.402 9.274 -1.896 1.00 0.00 C ATOM 668 C GLU A 49 1.893 8.103 -1.053 1.00 0.00 C ATOM 669 O GLU A 49 1.298 7.749 -0.034 1.00 0.00 O ATOM 670 CB GLU A 49 1.565 10.583 -1.121 1.00 0.00 C ATOM 671 CG GLU A 49 2.994 10.847 -0.674 1.00 0.00 C ATOM 672 CD GLU A 49 3.140 12.118 0.136 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.011 12.060 1.378 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.395 13.185 -0.466 1.00 0.00 O ATOM 0 H GLU A 49 -0.660 9.174 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 49 2.002 9.331 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.229 11.411 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.917 10.561 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.344 10.003 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.637 10.907 -1.552 1.00 0.00 H new ATOM 679 N TYR A 50 2.984 7.502 -1.555 1.00 0.00 N ATOM 680 CA TYR A 50 3.640 6.340 -0.959 1.00 0.00 C ATOM 681 C TYR A 50 3.660 6.320 0.464 1.00 0.00 C ATOM 682 O TYR A 50 3.195 5.326 1.014 1.00 0.00 O ATOM 683 CB TYR A 50 5.019 6.010 -1.549 1.00 0.00 C ATOM 684 CG TYR A 50 5.889 7.176 -2.009 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.519 7.985 -3.080 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.099 7.449 -1.379 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.322 9.029 -3.501 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.904 8.493 -1.793 1.00 0.00 C ATOM 689 CZ TYR A 50 7.511 9.280 -2.854 1.00 0.00 C ATOM 690 OH TYR A 50 8.314 10.318 -3.271 1.00 0.00 O ATOM 0 H TYR A 50 3.441 7.823 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 50 2.976 5.528 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.579 5.448 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.870 5.346 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.587 7.794 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.415 6.833 -0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.018 9.645 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.837 8.691 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 50 9.115 10.359 -2.708 1.00 0.00 H new ATOM 699 N PRO A 51 4.181 7.255 1.159 1.00 0.00 N ATOM 700 CA PRO A 51 4.071 7.061 2.488 1.00 0.00 C ATOM 701 C PRO A 51 3.255 8.112 3.169 1.00 0.00 C ATOM 702 O PRO A 51 3.668 9.257 3.363 1.00 0.00 O ATOM 703 CB PRO A 51 5.465 7.088 2.871 1.00 0.00 C ATOM 704 CG PRO A 51 6.065 8.179 2.010 1.00 0.00 C ATOM 705 CD PRO A 51 5.097 8.342 0.851 1.00 0.00 C ATOM 0 HA PRO A 51 3.544 6.149 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.582 7.308 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.947 6.127 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.172 9.109 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.059 7.902 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.607 9.316 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.579 8.223 -0.119 1.00 0.00 H new ATOM 710 N GLY A 52 2.128 7.683 3.570 1.00 0.00 N ATOM 711 CA GLY A 52 1.196 8.573 4.174 1.00 0.00 C ATOM 712 C GLY A 52 0.325 7.926 5.218 1.00 0.00 C ATOM 713 O GLY A 52 0.616 6.826 5.684 1.00 0.00 O ATOM 0 H GLY A 52 1.816 6.715 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.741 9.399 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.561 9.000 3.398 1.00 0.00 H new ATOM 717 N GLU A 53 -0.750 8.616 5.573 1.00 0.00 N ATOM 718 CA GLU A 53 -1.697 8.136 6.567 1.00 0.00 C ATOM 719 C GLU A 53 -3.087 8.702 6.291 1.00 0.00 C ATOM 720 O GLU A 53 -3.221 9.856 5.882 1.00 0.00 O ATOM 721 CB GLU A 53 -1.248 8.543 7.975 1.00 0.00 C ATOM 722 CG GLU A 53 -0.016 7.810 8.472 1.00 0.00 C ATOM 723 CD GLU A 53 0.565 8.431 9.724 1.00 0.00 C ATOM 724 OE1 GLU A 53 1.403 9.350 9.598 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.191 8.008 10.838 1.00 0.00 O ATOM 0 H GLU A 53 -0.989 9.526 5.179 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.734 7.048 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.048 9.614 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.068 8.366 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.273 6.770 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.741 7.806 7.688 1.00 0.00 H new ATOM 730 N SER A 54 -4.099 7.875 6.515 1.00 0.00 N ATOM 731 CA SER A 54 -5.495 8.243 6.329 1.00 0.00 C ATOM 732 C SER A 54 -5.786 8.806 4.934 1.00 0.00 C ATOM 733 O SER A 54 -6.335 9.902 4.799 1.00 0.00 O ATOM 734 CB SER A 54 -5.915 9.239 7.402 1.00 0.00 C ATOM 735 OG SER A 54 -5.631 8.742 8.699 1.00 0.00 O ATOM 0 H SER A 54 -3.971 6.915 6.836 1.00 0.00 H new ATOM 0 HA SER A 54 -6.082 7.329 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.394 10.184 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.982 9.445 7.314 1.00 0.00 H new ATOM 0 HG SER A 54 -5.908 9.401 9.370 1.00 0.00 H new ATOM 740 N PHE A 55 -5.429 8.057 3.897 1.00 0.00 N ATOM 741 CA PHE A 55 -5.697 8.496 2.537 1.00 0.00 C ATOM 742 C PHE A 55 -7.162 8.226 2.207 1.00 0.00 C ATOM 743 O PHE A 55 -7.809 9.002 1.511 1.00 0.00 O ATOM 744 CB PHE A 55 -4.778 7.788 1.523 1.00 0.00 C ATOM 745 CG PHE A 55 -5.185 6.377 1.185 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.839 5.319 2.007 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.924 6.113 0.040 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.223 4.029 1.696 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.307 4.826 -0.275 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.958 3.783 0.555 1.00 0.00 C ATOM 0 H PHE A 55 -4.959 7.155 3.972 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.493 9.564 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.752 8.375 0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.763 7.774 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.263 5.504 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.203 6.927 -0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.947 3.212 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.880 4.636 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.259 2.775 0.313 1.00 0.00 H new ATOM 759 N GLY A 56 -7.691 7.145 2.783 1.00 0.00 N ATOM 760 CA GLY A 56 -9.070 6.746 2.551 1.00 0.00 C ATOM 761 C GLY A 56 -10.047 7.810 2.992 1.00 0.00 C ATOM 762 O GLY A 56 -11.197 7.833 2.559 1.00 0.00 O ATOM 0 H GLY A 56 -7.178 6.531 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.214 6.538 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.275 5.820 3.088 1.00 0.00 H new ATOM 766 N SER A 57 -9.564 8.700 3.843 1.00 0.00 N ATOM 767 CA SER A 57 -10.350 9.798 4.366 1.00 0.00 C ATOM 768 C SER A 57 -10.750 10.779 3.257 1.00 0.00 C ATOM 769 O SER A 57 -11.678 11.571 3.422 1.00 0.00 O ATOM 770 CB SER A 57 -9.537 10.503 5.449 1.00 0.00 C ATOM 771 OG SER A 57 -9.264 9.618 6.525 1.00 0.00 O ATOM 0 H SER A 57 -8.606 8.678 4.192 1.00 0.00 H new ATOM 0 HA SER A 57 -11.275 9.408 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.602 10.871 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.085 11.371 5.815 1.00 0.00 H new ATOM 0 HG SER A 57 -9.036 10.136 7.325 1.00 0.00 H new ATOM 776 N SER A 58 -10.046 10.734 2.129 1.00 0.00 N ATOM 777 CA SER A 58 -10.356 11.610 1.005 1.00 0.00 C ATOM 778 C SER A 58 -10.115 10.903 -0.330 1.00 0.00 C ATOM 779 O SER A 58 -10.068 11.542 -1.384 1.00 0.00 O ATOM 780 CB SER A 58 -9.526 12.893 1.088 1.00 0.00 C ATOM 781 OG SER A 58 -9.751 13.561 2.316 1.00 0.00 O ATOM 0 H SER A 58 -9.261 10.103 1.970 1.00 0.00 H new ATOM 0 HA SER A 58 -11.413 11.870 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.467 12.653 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.783 13.552 0.258 1.00 0.00 H new ATOM 0 HG SER A 58 -9.210 14.377 2.348 1.00 0.00 H new ATOM 786 N CYS A 59 -9.967 9.585 -0.279 1.00 0.00 N ATOM 787 CA CYS A 59 -9.741 8.792 -1.477 1.00 0.00 C ATOM 788 C CYS A 59 -10.832 7.748 -1.632 1.00 0.00 C ATOM 789 O CYS A 59 -11.260 7.133 -0.657 1.00 0.00 O ATOM 790 CB CYS A 59 -8.386 8.090 -1.430 1.00 0.00 C ATOM 791 SG CYS A 59 -6.954 9.207 -1.298 1.00 0.00 S ATOM 0 H CYS A 59 -10.000 9.042 0.584 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.756 9.473 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.376 7.406 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.275 7.484 -2.329 1.00 0.00 H new ATOM 795 N VAL A 60 -11.275 7.561 -2.861 1.00 0.00 N ATOM 796 CA VAL A 60 -12.312 6.592 -3.177 1.00 0.00 C ATOM 797 C VAL A 60 -11.930 5.806 -4.424 1.00 0.00 C ATOM 798 O VAL A 60 -10.911 6.103 -5.054 1.00 0.00 O ATOM 799 CB VAL A 60 -13.676 7.270 -3.414 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.225 7.857 -2.122 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.552 8.344 -4.484 1.00 0.00 C ATOM 0 H VAL A 60 -10.927 8.076 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.402 5.923 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.379 6.513 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.188 8.329 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.353 7.062 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.528 8.600 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.522 8.815 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.832 9.096 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.213 7.892 -5.416 1.00 0.00 H new ATOM 811 N LYS A 61 -12.755 4.822 -4.778 1.00 0.00 N ATOM 812 CA LYS A 61 -12.517 3.979 -5.954 1.00 0.00 C ATOM 813 C LYS A 61 -11.172 3.267 -5.857 1.00 0.00 C ATOM 814 O LYS A 61 -10.416 3.199 -6.826 1.00 0.00 O ATOM 815 CB LYS A 61 -12.597 4.793 -7.256 1.00 0.00 C ATOM 816 CG LYS A 61 -14.019 5.077 -7.729 1.00 0.00 C ATOM 817 CD LYS A 61 -14.734 6.084 -6.843 1.00 0.00 C ATOM 818 CE LYS A 61 -16.234 6.108 -7.106 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.559 6.380 -8.534 1.00 0.00 N ATOM 0 H LYS A 61 -13.603 4.586 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.305 3.227 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.078 5.741 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.066 4.255 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.991 5.453 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.586 4.146 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.553 5.840 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.319 7.077 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.666 5.151 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.697 6.871 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.582 6.537 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.046 7.227 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.276 5.566 -9.116 1.00 0.00 H new ATOM 829 N THR A 62 -10.892 2.741 -4.674 1.00 0.00 N ATOM 830 CA THR A 62 -9.649 2.029 -4.416 1.00 0.00 C ATOM 831 C THR A 62 -9.562 0.732 -5.218 1.00 0.00 C ATOM 832 O THR A 62 -10.516 -0.049 -5.272 1.00 0.00 O ATOM 833 CB THR A 62 -9.509 1.706 -2.919 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.794 1.399 -2.367 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.892 2.861 -2.150 1.00 0.00 C ATOM 0 H THR A 62 -11.516 2.795 -3.869 1.00 0.00 H new ATOM 0 HA THR A 62 -8.836 2.685 -4.728 1.00 0.00 H new ATOM 0 HB THR A 62 -8.846 0.845 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.764 1.501 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.810 2.594 -1.096 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.900 3.075 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.522 3.744 -2.252 1.00 0.00 H new ATOM 843 N ALA A 63 -8.420 0.522 -5.855 1.00 0.00 N ATOM 844 CA ALA A 63 -8.177 -0.670 -6.650 1.00 0.00 C ATOM 845 C ALA A 63 -6.685 -0.959 -6.703 1.00 0.00 C ATOM 846 O ALA A 63 -5.871 -0.094 -6.383 1.00 0.00 O ATOM 847 CB ALA A 63 -8.734 -0.510 -8.053 1.00 0.00 C ATOM 0 H ALA A 63 -7.636 1.174 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.688 -1.510 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.539 -1.416 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.809 -0.338 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.254 0.339 -8.540 1.00 0.00 H new ATOM 853 N LEU A 64 -6.326 -2.169 -7.088 1.00 0.00 N ATOM 854 CA LEU A 64 -4.927 -2.540 -7.173 1.00 0.00 C ATOM 855 C LEU A 64 -4.575 -2.973 -8.589 1.00 0.00 C ATOM 856 O LEU A 64 -5.053 -3.995 -9.078 1.00 0.00 O ATOM 857 CB LEU A 64 -4.610 -3.649 -6.166 1.00 0.00 C ATOM 858 CG LEU A 64 -3.503 -3.315 -5.161 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.150 -3.299 -5.835 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.768 -1.969 -4.506 1.00 0.00 C ATOM 0 H LEU A 64 -6.980 -2.908 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.319 -1.670 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.519 -3.890 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.323 -4.546 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.501 -4.090 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.381 -3.060 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.947 -4.279 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.145 -2.547 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.972 -1.747 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.799 -1.192 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.724 -2.001 -3.983 1.00 0.00 H new ATOM 871 N ASN A 65 -3.736 -2.178 -9.235 1.00 0.00 N ATOM 872 CA ASN A 65 -3.299 -2.445 -10.593 1.00 0.00 C ATOM 873 C ASN A 65 -2.139 -3.417 -10.598 1.00 0.00 C ATOM 874 O ASN A 65 -1.095 -3.156 -9.987 1.00 0.00 O ATOM 875 CB ASN A 65 -2.882 -1.151 -11.289 1.00 0.00 C ATOM 876 CG ASN A 65 -4.055 -0.396 -11.891 1.00 0.00 C ATOM 877 OD1 ASN A 65 -5.186 -0.491 -11.413 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.789 0.370 -12.939 1.00 0.00 N ATOM 0 H ASN A 65 -3.340 -1.330 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.136 -2.886 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.372 -0.507 -10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.164 -1.383 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.535 0.908 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.838 0.421 -13.305 1.00 0.00 H new ATOM 884 N ASP A 66 -2.348 -4.550 -11.260 1.00 0.00 N ATOM 885 CA ASP A 66 -1.336 -5.597 -11.385 1.00 0.00 C ATOM 886 C ASP A 66 -0.800 -6.036 -10.025 1.00 0.00 C ATOM 887 O ASP A 66 0.363 -6.425 -9.900 1.00 0.00 O ATOM 888 CB ASP A 66 -0.201 -5.134 -12.302 1.00 0.00 C ATOM 889 CG ASP A 66 -0.471 -5.461 -13.759 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.696 -6.648 -14.077 1.00 0.00 O ATOM 891 OD2 ASP A 66 -0.464 -4.534 -14.597 1.00 0.00 O ATOM 0 H ASP A 66 -3.227 -4.770 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.813 -6.468 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.064 -4.058 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.730 -5.608 -11.992 1.00 0.00 H new ATOM 895 N GLY A 67 -1.663 -5.951 -9.016 1.00 0.00 N ATOM 896 CA GLY A 67 -1.312 -6.350 -7.661 1.00 0.00 C ATOM 897 C GLY A 67 -0.026 -5.735 -7.132 1.00 0.00 C ATOM 898 O GLY A 67 0.710 -6.385 -6.399 1.00 0.00 O ATOM 0 H GLY A 67 -2.618 -5.606 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.130 -6.079 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.220 -7.436 -7.628 1.00 0.00 H new ATOM 902 N HIS A 68 0.249 -4.482 -7.478 1.00 0.00 N ATOM 903 CA HIS A 68 1.465 -3.824 -6.998 1.00 0.00 C ATOM 904 C HIS A 68 1.271 -2.318 -6.875 1.00 0.00 C ATOM 905 O HIS A 68 1.895 -1.667 -6.045 1.00 0.00 O ATOM 906 CB HIS A 68 2.667 -4.133 -7.912 1.00 0.00 C ATOM 907 CG HIS A 68 2.702 -3.374 -9.213 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.621 -2.383 -9.478 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.943 -3.481 -10.331 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.432 -1.923 -10.700 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.420 -2.569 -11.240 1.00 0.00 N ATOM 0 H HIS A 68 -0.341 -3.907 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 68 1.676 -4.224 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.584 -3.920 -7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.668 -5.200 -8.133 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.337 -2.055 -8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.115 -4.159 -10.479 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.011 -1.146 -11.178 1.00 0.00 H new ATOM 919 N THR A 69 0.402 -1.772 -7.701 1.00 0.00 N ATOM 920 CA THR A 69 0.135 -0.353 -7.698 1.00 0.00 C ATOM 921 C THR A 69 -1.287 -0.058 -7.227 1.00 0.00 C ATOM 922 O THR A 69 -2.237 -0.662 -7.699 1.00 0.00 O ATOM 923 CB THR A 69 0.364 0.211 -9.111 1.00 0.00 C ATOM 924 OG1 THR A 69 1.771 0.308 -9.371 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.297 1.569 -9.295 1.00 0.00 C ATOM 0 H THR A 69 -0.136 -2.299 -8.389 1.00 0.00 H new ATOM 0 HA THR A 69 0.818 0.130 -6.999 1.00 0.00 H new ATOM 0 HB THR A 69 -0.096 -0.475 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.913 0.666 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.110 1.930 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.371 1.475 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.116 2.275 -8.575 1.00 0.00 H new ATOM 933 N LEU A 70 -1.416 0.865 -6.290 1.00 0.00 N ATOM 934 CA LEU A 70 -2.720 1.251 -5.770 1.00 0.00 C ATOM 935 C LEU A 70 -3.282 2.393 -6.593 1.00 0.00 C ATOM 936 O LEU A 70 -2.613 3.398 -6.816 1.00 0.00 O ATOM 937 CB LEU A 70 -2.617 1.660 -4.294 1.00 0.00 C ATOM 938 CG LEU A 70 -3.769 2.515 -3.745 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.093 1.772 -3.820 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.478 2.930 -2.311 1.00 0.00 C ATOM 0 H LEU A 70 -0.631 1.364 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.391 0.395 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.545 0.754 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.686 2.210 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.850 3.408 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.888 2.404 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.312 1.522 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.030 0.857 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.302 3.536 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.367 2.041 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.557 3.511 -2.280 1.00 0.00 H new ATOM 951 N THR A 71 -4.501 2.222 -7.050 1.00 0.00 N ATOM 952 CA THR A 71 -5.166 3.225 -7.844 1.00 0.00 C ATOM 953 C THR A 71 -6.423 3.706 -7.150 1.00 0.00 C ATOM 954 O THR A 71 -7.248 2.906 -6.707 1.00 0.00 O ATOM 955 CB THR A 71 -5.526 2.678 -9.234 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.663 1.249 -9.177 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.465 3.062 -10.246 1.00 0.00 C ATOM 0 H THR A 71 -5.058 1.384 -6.881 1.00 0.00 H new ATOM 0 HA THR A 71 -4.478 4.062 -7.963 1.00 0.00 H new ATOM 0 HB THR A 71 -6.475 3.114 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.468 0.866 -10.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.736 2.667 -11.225 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.391 4.148 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.504 2.648 -9.941 1.00 0.00 H new ATOM 965 N ALA A 72 -6.552 5.010 -7.034 1.00 0.00 N ATOM 966 CA ALA A 72 -7.721 5.594 -6.401 1.00 0.00 C ATOM 967 C ALA A 72 -7.882 7.048 -6.805 1.00 0.00 C ATOM 968 O ALA A 72 -7.000 7.632 -7.434 1.00 0.00 O ATOM 969 CB ALA A 72 -7.625 5.470 -4.888 1.00 0.00 C ATOM 0 H ALA A 72 -5.866 5.687 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.601 5.046 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.509 5.913 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.562 4.417 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.735 5.991 -4.536 1.00 0.00 H new ATOM 975 N SER A 73 -9.016 7.616 -6.453 1.00 0.00 N ATOM 976 CA SER A 73 -9.304 8.999 -6.758 1.00 0.00 C ATOM 977 C SER A 73 -9.379 9.773 -5.452 1.00 0.00 C ATOM 978 O SER A 73 -10.232 9.495 -4.604 1.00 0.00 O ATOM 979 CB SER A 73 -10.615 9.107 -7.535 1.00 0.00 C ATOM 980 OG SER A 73 -10.780 10.401 -8.083 1.00 0.00 O ATOM 0 H SER A 73 -9.760 7.133 -5.950 1.00 0.00 H new ATOM 0 HA SER A 73 -8.516 9.419 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.629 8.366 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.452 8.879 -6.875 1.00 0.00 H new ATOM 0 HG SER A 73 -11.735 10.610 -8.146 1.00 0.00 H new ATOM 985 N CYS A 74 -8.477 10.722 -5.284 1.00 0.00 N ATOM 986 CA CYS A 74 -8.425 11.502 -4.060 1.00 0.00 C ATOM 987 C CYS A 74 -8.704 12.975 -4.315 1.00 0.00 C ATOM 988 O CYS A 74 -8.406 13.503 -5.387 1.00 0.00 O ATOM 989 CB CYS A 74 -7.051 11.350 -3.415 1.00 0.00 C ATOM 990 SG CYS A 74 -6.501 9.628 -3.225 1.00 0.00 S ATOM 0 H CYS A 74 -7.772 10.971 -5.977 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.199 11.125 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.319 11.889 -4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.069 11.824 -2.434 1.00 0.00 H new ATOM 994 N LYS A 75 -9.303 13.623 -3.331 1.00 0.00 N ATOM 995 CA LYS A 75 -9.607 15.041 -3.413 1.00 0.00 C ATOM 996 C LYS A 75 -8.564 15.850 -2.645 1.00 0.00 C ATOM 997 O LYS A 75 -8.090 15.419 -1.594 1.00 0.00 O ATOM 998 CB LYS A 75 -11.021 15.310 -2.872 1.00 0.00 C ATOM 999 CG LYS A 75 -11.347 16.783 -2.666 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.982 17.240 -1.261 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.928 18.749 -1.157 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.670 19.196 0.235 1.00 0.00 N ATOM 0 H LYS A 75 -9.591 13.184 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.576 15.352 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.748 14.883 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.139 14.788 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.806 17.383 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.410 16.950 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.713 16.853 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.015 16.822 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.145 19.131 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.870 19.172 -1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.640 20.235 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.430 18.853 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.759 18.814 0.559 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.205 17.015 -3.175 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.243 17.869 -2.508 1.00 0.00 C ATOM 1014 C GLY A 76 -6.562 18.822 -3.463 1.00 0.00 C ATOM 1015 O GLY A 76 -6.179 19.923 -3.081 1.00 0.00 O ATOM 0 H GLY A 76 -8.565 17.382 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.747 18.439 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.491 17.251 -2.017 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.406 18.382 -4.704 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.784 19.187 -5.748 1.00 0.00 C ATOM 1021 C ALA A 77 -6.432 20.561 -5.888 1.00 0.00 C ATOM 1022 O ALA A 77 -5.738 21.564 -6.065 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.832 18.443 -7.070 1.00 0.00 C ATOM 0 H ALA A 77 -6.706 17.458 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.746 19.354 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.366 19.050 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.295 17.499 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.870 18.245 -7.339 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.758 20.602 -5.809 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.497 21.859 -5.934 1.00 0.00 C ATOM 1031 C ASP A 78 -9.972 21.637 -5.611 1.00 0.00 C ATOM 1032 O ASP A 78 -10.860 21.964 -6.399 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.339 22.430 -7.349 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.940 23.812 -7.507 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.929 24.591 -6.531 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.426 24.124 -8.616 1.00 0.00 O ATOM 0 H ASP A 78 -8.345 19.781 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.089 22.578 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.279 22.471 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.810 21.753 -8.062 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.222 21.038 -4.454 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.584 20.770 -4.023 1.00 0.00 C ATOM 1042 C GLY A 79 -12.251 19.672 -4.828 1.00 0.00 C ATOM 1043 O GLY A 79 -13.401 19.315 -4.576 1.00 0.00 O ATOM 0 H GLY A 79 -9.501 20.730 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.578 20.489 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.173 21.684 -4.106 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.522 19.130 -5.788 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.031 18.074 -6.641 1.00 0.00 C ATOM 1049 C GLN A 80 -11.168 16.833 -6.485 1.00 0.00 C ATOM 1050 O GLN A 80 -10.044 16.912 -5.977 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.029 18.519 -8.106 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.635 18.692 -8.694 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.649 18.886 -10.199 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.550 18.409 -10.890 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.635 19.553 -10.723 1.00 0.00 N ATOM 0 H GLN A 80 -10.563 19.410 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.056 17.849 -6.345 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.575 17.786 -8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.568 19.462 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.153 19.551 -8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.032 17.817 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.908 19.933 -10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.580 19.687 -11.733 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.692 15.699 -6.915 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.963 14.448 -6.833 1.00 0.00 C ATOM 1064 C TYR A 81 -10.173 14.237 -8.120 1.00 0.00 C ATOM 1065 O TYR A 81 -10.408 14.928 -9.112 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.924 13.274 -6.585 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.985 13.108 -7.653 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.675 12.542 -8.881 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.294 13.519 -7.436 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.627 12.391 -9.860 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.260 13.370 -8.415 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.918 12.806 -9.625 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.872 12.664 -10.607 1.00 0.00 O ATOM 0 H TYR A 81 -12.622 15.620 -7.325 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.270 14.493 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.345 12.353 -6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.413 13.416 -5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.664 12.213 -9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.562 13.962 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.364 11.949 -10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.274 13.693 -8.232 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.731 13.005 -10.280 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.237 13.301 -8.107 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.423 13.015 -9.278 1.00 0.00 C ATOM 1084 C HIS A 82 -7.901 11.590 -9.232 1.00 0.00 C ATOM 1085 O HIS A 82 -7.329 11.161 -8.228 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.251 13.995 -9.368 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.353 14.952 -10.515 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.440 15.773 -10.720 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.490 15.220 -11.520 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -8.240 16.505 -11.800 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.063 16.190 -12.305 1.00 0.00 N ATOM 0 H HIS A 82 -9.022 12.724 -7.294 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.049 13.131 -10.162 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.190 14.561 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.323 13.430 -9.459 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.270 15.810 -10.129 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.527 14.757 -11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.924 17.238 -12.202 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.130 10.854 -10.310 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.667 9.475 -10.413 1.00 0.00 C ATOM 1101 C ASP A 83 -6.149 9.445 -10.470 1.00 0.00 C ATOM 1102 O ASP A 83 -5.540 10.082 -11.329 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.249 8.805 -11.664 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.681 7.417 -11.906 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -6.655 7.302 -12.605 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -8.270 6.435 -11.408 1.00 0.00 O ATOM 0 H ASP A 83 -8.636 11.189 -11.130 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.006 8.926 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.332 8.737 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.048 9.432 -12.533 1.00 0.00 H new ATOM 1110 N SER A 84 -5.539 8.730 -9.545 1.00 0.00 N ATOM 1111 CA SER A 84 -4.095 8.627 -9.500 1.00 0.00 C ATOM 1112 C SER A 84 -3.678 7.227 -9.083 1.00 0.00 C ATOM 1113 O SER A 84 -4.527 6.384 -8.782 1.00 0.00 O ATOM 1114 CB SER A 84 -3.530 9.668 -8.541 1.00 0.00 C ATOM 1115 OG SER A 84 -4.274 9.719 -7.338 1.00 0.00 O ATOM 0 H SER A 84 -6.023 8.211 -8.813 1.00 0.00 H new ATOM 0 HA SER A 84 -3.694 8.818 -10.495 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.490 9.432 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.539 10.648 -9.018 1.00 0.00 H new ATOM 0 HG SER A 84 -4.998 10.373 -7.429 1.00 0.00 H new ATOM 1120 N SER A 85 -2.382 6.972 -9.079 1.00 0.00 N ATOM 1121 CA SER A 85 -1.877 5.671 -8.697 1.00 0.00 C ATOM 1122 C SER A 85 -0.603 5.802 -7.882 1.00 0.00 C ATOM 1123 O SER A 85 0.066 6.833 -7.910 1.00 0.00 O ATOM 1124 CB SER A 85 -1.596 4.816 -9.925 1.00 0.00 C ATOM 1125 OG SER A 85 -2.240 5.339 -11.076 1.00 0.00 O ATOM 0 H SER A 85 -1.663 7.649 -9.336 1.00 0.00 H new ATOM 0 HA SER A 85 -2.644 5.189 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.521 4.767 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.937 3.796 -9.747 1.00 0.00 H new ATOM 0 HG SER A 85 -2.040 4.771 -11.849 1.00 0.00 H new ATOM 1130 N MET A 86 -0.285 4.748 -7.158 1.00 0.00 N ATOM 1131 CA MET A 86 0.906 4.706 -6.337 1.00 0.00 C ATOM 1132 C MET A 86 1.500 3.306 -6.353 1.00 0.00 C ATOM 1133 O MET A 86 0.809 2.340 -6.039 1.00 0.00 O ATOM 1134 CB MET A 86 0.565 5.084 -4.903 1.00 0.00 C ATOM 1135 CG MET A 86 1.766 5.111 -3.972 1.00 0.00 C ATOM 1136 SD MET A 86 2.835 6.550 -4.242 1.00 0.00 S ATOM 1137 CE MET A 86 3.587 6.217 -5.832 1.00 0.00 C ATOM 0 H MET A 86 -0.846 3.897 -7.123 1.00 0.00 H new ATOM 0 HA MET A 86 1.630 5.415 -6.739 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.092 6.066 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.167 4.376 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.419 5.111 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.349 4.200 -4.112 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.503 6.800 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.823 5.156 -5.908 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.894 6.492 -6.627 1.00 0.00 H new ATOM 1145 N ASP A 87 2.766 3.184 -6.717 1.00 0.00 N ATOM 1146 CA ASP A 87 3.394 1.876 -6.742 1.00 0.00 C ATOM 1147 C ASP A 87 3.765 1.463 -5.327 1.00 0.00 C ATOM 1148 O ASP A 87 4.710 1.986 -4.736 1.00 0.00 O ATOM 1149 CB ASP A 87 4.631 1.851 -7.636 1.00 0.00 C ATOM 1150 CG ASP A 87 4.973 0.440 -8.071 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.281 -0.504 -7.635 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.913 0.266 -8.873 1.00 0.00 O ATOM 0 H ASP A 87 3.368 3.959 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 87 2.677 1.169 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.459 2.472 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.477 2.283 -7.101 1.00 0.00 H new ATOM 1156 N LEU A 88 3.010 0.521 -4.796 1.00 0.00 N ATOM 1157 CA LEU A 88 3.219 0.018 -3.448 1.00 0.00 C ATOM 1158 C LEU A 88 4.394 -0.935 -3.428 1.00 0.00 C ATOM 1159 O LEU A 88 4.837 -1.371 -2.366 1.00 0.00 O ATOM 1160 CB LEU A 88 1.968 -0.702 -2.945 1.00 0.00 C ATOM 1161 CG LEU A 88 0.641 -0.003 -3.241 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.514 -0.804 -2.660 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.644 1.414 -2.683 1.00 0.00 C ATOM 0 H LEU A 88 2.232 0.080 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 88 3.427 0.864 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.941 -1.698 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.056 -0.835 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 88 0.514 0.058 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.454 -0.297 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.527 -1.799 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.390 -0.891 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.309 1.894 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.791 1.380 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.452 1.984 -3.141 1.00 0.00 H new ATOM 1174 N ASN A 89 4.877 -1.273 -4.618 1.00 0.00 N ATOM 1175 CA ASN A 89 6.011 -2.178 -4.776 1.00 0.00 C ATOM 1176 C ASN A 89 7.181 -1.767 -3.878 1.00 0.00 C ATOM 1177 O ASN A 89 7.970 -2.610 -3.455 1.00 0.00 O ATOM 1178 CB ASN A 89 6.464 -2.198 -6.237 1.00 0.00 C ATOM 1179 CG ASN A 89 7.467 -3.296 -6.527 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.672 -3.112 -6.379 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.971 -4.441 -6.970 1.00 0.00 N ATOM 0 H ASN A 89 4.495 -0.929 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 89 5.688 -3.176 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.594 -2.328 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.905 -1.234 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.597 -5.212 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.963 -4.552 -7.078 1.00 0.00 H new ATOM 1187 N TYR A 90 7.280 -0.477 -3.565 1.00 0.00 N ATOM 1188 CA TYR A 90 8.356 0.001 -2.717 1.00 0.00 C ATOM 1189 C TYR A 90 7.821 0.628 -1.436 1.00 0.00 C ATOM 1190 O TYR A 90 8.517 1.395 -0.770 1.00 0.00 O ATOM 1191 CB TYR A 90 9.274 0.971 -3.477 1.00 0.00 C ATOM 1192 CG TYR A 90 8.583 2.162 -4.116 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.428 3.355 -3.421 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.123 2.106 -5.429 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.835 4.454 -4.012 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.523 3.199 -6.022 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.384 4.370 -5.312 1.00 0.00 C ATOM 1198 OH TYR A 90 6.809 5.468 -5.911 1.00 0.00 O ATOM 0 H TYR A 90 6.634 0.245 -3.884 1.00 0.00 H new ATOM 0 HA TYR A 90 8.956 -0.862 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.033 1.341 -2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.795 0.415 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.777 3.424 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.237 1.192 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.725 5.375 -3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.164 3.135 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 90 6.547 5.241 -6.827 1.00 0.00 H new ATOM 1207 N VAL A 91 6.582 0.294 -1.085 1.00 0.00 N ATOM 1208 CA VAL A 91 5.979 0.814 0.136 1.00 0.00 C ATOM 1209 C VAL A 91 5.480 -0.329 1.020 1.00 0.00 C ATOM 1210 O VAL A 91 5.170 -0.132 2.194 1.00 0.00 O ATOM 1211 CB VAL A 91 4.838 1.829 -0.141 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.197 2.738 -1.292 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.500 1.164 -0.389 1.00 0.00 C ATOM 0 H VAL A 91 5.981 -0.329 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 91 6.762 1.358 0.665 1.00 0.00 H new ATOM 0 HB VAL A 91 4.729 2.424 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.383 3.441 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.106 3.289 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.362 2.141 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.744 1.926 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.575 0.507 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.217 0.579 0.486 1.00 0.00 H new ATOM 1223 N VAL A 92 5.421 -1.528 0.447 1.00 0.00 N ATOM 1224 CA VAL A 92 4.980 -2.712 1.176 1.00 0.00 C ATOM 1225 C VAL A 92 5.709 -3.959 0.677 1.00 0.00 C ATOM 1226 O VAL A 92 5.890 -4.145 -0.530 1.00 0.00 O ATOM 1227 CB VAL A 92 3.449 -2.917 1.068 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.000 -2.987 -0.378 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.007 -4.161 1.826 1.00 0.00 C ATOM 0 H VAL A 92 5.675 -1.705 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 92 5.225 -2.552 2.226 1.00 0.00 H new ATOM 0 HB VAL A 92 2.972 -2.050 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.920 -3.131 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.261 -2.058 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.496 -3.822 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.928 -4.280 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.506 -5.037 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.271 -4.059 2.879 1.00 0.00 H new ATOM 1239 N GLY A 93 6.146 -4.797 1.607 1.00 0.00 N ATOM 1240 CA GLY A 93 6.844 -6.006 1.238 1.00 0.00 C ATOM 1241 C GLY A 93 6.330 -7.218 1.978 1.00 0.00 C ATOM 1242 O GLY A 93 5.482 -7.101 2.866 1.00 0.00 O ATOM 0 H GLY A 93 6.028 -4.658 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.741 -6.168 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.908 -5.884 1.441 1.00 0.00 H new ATOM 1246 N ASN A 94 6.835 -8.379 1.601 1.00 0.00 N ATOM 1247 CA ASN A 94 6.443 -9.630 2.229 1.00 0.00 C ATOM 1248 C ASN A 94 7.611 -10.203 3.013 1.00 0.00 C ATOM 1249 O ASN A 94 8.695 -10.406 2.469 1.00 0.00 O ATOM 1250 CB ASN A 94 5.981 -10.642 1.182 1.00 0.00 C ATOM 1251 CG ASN A 94 5.738 -12.018 1.775 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.315 -12.156 2.923 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.019 -13.047 0.999 1.00 0.00 N ATOM 0 H ASN A 94 7.524 -8.482 0.856 1.00 0.00 H new ATOM 0 HA ASN A 94 5.613 -9.428 2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.064 -10.284 0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.732 -10.716 0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.888 -13.998 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.368 -12.892 0.053 1.00 0.00 H new ATOM 1259 N SER A 95 7.390 -10.457 4.285 1.00 0.00 N ATOM 1260 CA SER A 95 8.421 -11.005 5.133 1.00 0.00 C ATOM 1261 C SER A 95 7.883 -12.163 5.954 1.00 0.00 C ATOM 1262 O SER A 95 7.148 -11.962 6.923 1.00 0.00 O ATOM 1263 CB SER A 95 8.980 -9.917 6.039 1.00 0.00 C ATOM 1264 OG SER A 95 9.769 -8.998 5.297 1.00 0.00 O ATOM 0 H SER A 95 6.500 -10.291 4.754 1.00 0.00 H new ATOM 0 HA SER A 95 9.226 -11.385 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.161 -9.389 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.584 -10.368 6.827 1.00 0.00 H new ATOM 0 HG SER A 95 10.117 -8.306 5.898 1.00 0.00 H new ATOM 1269 N TYR A 96 8.234 -13.375 5.532 1.00 0.00 N ATOM 1270 CA TYR A 96 7.811 -14.600 6.199 1.00 0.00 C ATOM 1271 C TYR A 96 6.300 -14.745 6.122 1.00 0.00 C ATOM 1272 O TYR A 96 5.649 -15.156 7.083 1.00 0.00 O ATOM 1273 CB TYR A 96 8.292 -14.628 7.654 1.00 0.00 C ATOM 1274 CG TYR A 96 9.792 -14.475 7.793 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.659 -15.449 7.314 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.339 -13.346 8.390 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.030 -15.304 7.429 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.706 -13.194 8.506 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.547 -14.173 8.026 1.00 0.00 C ATOM 1280 OH TYR A 96 13.911 -14.015 8.140 1.00 0.00 O ATOM 0 H TYR A 96 8.822 -13.534 4.714 1.00 0.00 H new ATOM 0 HA TYR A 96 8.266 -15.447 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.800 -13.828 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.986 -15.568 8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.256 -16.334 6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.684 -12.575 8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.691 -16.071 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.115 -12.310 8.972 1.00 0.00 H new ATOM 0 HH TYR A 96 14.106 -13.163 8.584 1.00 0.00 H new ATOM 1289 N GLY A 97 5.755 -14.421 4.950 1.00 0.00 N ATOM 1290 CA GLY A 97 4.324 -14.502 4.735 1.00 0.00 C ATOM 1291 C GLY A 97 3.561 -13.604 5.680 1.00 0.00 C ATOM 1292 O GLY A 97 2.418 -13.895 6.035 1.00 0.00 O ATOM 0 H GLY A 97 6.287 -14.101 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.095 -14.224 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.995 -15.533 4.868 1.00 0.00 H new ATOM 1296 N TYR A 98 4.197 -12.523 6.104 1.00 0.00 N ATOM 1297 CA TYR A 98 3.577 -11.595 7.028 1.00 0.00 C ATOM 1298 C TYR A 98 3.599 -10.178 6.470 1.00 0.00 C ATOM 1299 O TYR A 98 4.515 -9.801 5.733 1.00 0.00 O ATOM 1300 CB TYR A 98 4.301 -11.646 8.377 1.00 0.00 C ATOM 1301 CG TYR A 98 3.591 -10.888 9.478 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.255 -11.139 9.770 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.261 -9.934 10.233 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.607 -10.457 10.782 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.618 -9.247 11.246 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.293 -9.511 11.517 1.00 0.00 C ATOM 1307 OH TYR A 98 1.650 -8.834 12.532 1.00 0.00 O ATOM 0 H TYR A 98 5.143 -12.269 5.821 1.00 0.00 H new ATOM 0 HA TYR A 98 2.536 -11.887 7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.414 -12.687 8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.305 -11.238 8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.715 -11.878 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.300 -9.726 10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.569 -10.663 10.997 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.152 -8.506 11.823 1.00 0.00 H new ATOM 0 HH TYR A 98 2.273 -8.204 12.951 1.00 0.00 H new ATOM 1316 N MET A 99 2.563 -9.416 6.807 1.00 0.00 N ATOM 1317 CA MET A 99 2.433 -8.032 6.365 1.00 0.00 C ATOM 1318 C MET A 99 3.545 -7.146 6.930 1.00 0.00 C ATOM 1319 O MET A 99 3.518 -6.762 8.099 1.00 0.00 O ATOM 1320 CB MET A 99 1.068 -7.465 6.782 1.00 0.00 C ATOM 1321 CG MET A 99 0.759 -7.627 8.269 1.00 0.00 C ATOM 1322 SD MET A 99 -0.587 -6.566 8.836 1.00 0.00 S ATOM 1323 CE MET A 99 0.118 -4.944 8.546 1.00 0.00 C ATOM 0 H MET A 99 1.793 -9.739 7.392 1.00 0.00 H new ATOM 0 HA MET A 99 2.517 -8.031 5.278 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.032 -6.406 6.527 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.288 -7.959 6.203 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.502 -8.667 8.469 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.656 -7.404 8.846 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.209 -4.412 9.493 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.104 -5.051 8.094 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.530 -4.380 7.874 1.00 0.00 H new ATOM 1331 N GLU A 100 4.524 -6.827 6.099 1.00 0.00 N ATOM 1332 CA GLU A 100 5.617 -5.961 6.517 1.00 0.00 C ATOM 1333 C GLU A 100 5.873 -4.883 5.471 1.00 0.00 C ATOM 1334 O GLU A 100 6.771 -5.003 4.640 1.00 0.00 O ATOM 1335 CB GLU A 100 6.893 -6.759 6.800 1.00 0.00 C ATOM 1336 CG GLU A 100 6.799 -7.626 8.044 1.00 0.00 C ATOM 1337 CD GLU A 100 8.088 -7.642 8.837 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.433 -6.603 9.440 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.759 -8.691 8.872 1.00 0.00 O ATOM 0 H GLU A 100 4.585 -7.153 5.134 1.00 0.00 H new ATOM 0 HA GLU A 100 5.321 -5.479 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.115 -7.392 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.728 -6.067 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.991 -7.261 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.541 -8.645 7.754 1.00 0.00 H new ATOM 1344 N PRO A 101 5.056 -3.822 5.487 1.00 0.00 N ATOM 1345 CA PRO A 101 5.190 -2.707 4.549 1.00 0.00 C ATOM 1346 C PRO A 101 6.377 -1.812 4.886 1.00 0.00 C ATOM 1347 O PRO A 101 6.498 -1.317 6.006 1.00 0.00 O ATOM 1348 CB PRO A 101 3.878 -1.946 4.719 1.00 0.00 C ATOM 1349 CG PRO A 101 3.458 -2.234 6.117 1.00 0.00 C ATOM 1350 CD PRO A 101 3.929 -3.626 6.421 1.00 0.00 C ATOM 0 HA PRO A 101 5.371 -3.046 3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.016 -0.877 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.129 -2.282 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.896 -1.516 6.810 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.376 -2.159 6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.247 -3.724 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.141 -4.361 6.258 1.00 0.00 H new ATOM 1355 N CYS A 102 7.253 -1.610 3.919 1.00 0.00 N ATOM 1356 CA CYS A 102 8.423 -0.780 4.126 1.00 0.00 C ATOM 1357 C CYS A 102 8.649 0.169 2.956 1.00 0.00 C ATOM 1358 O CYS A 102 8.699 -0.242 1.800 1.00 0.00 O ATOM 1359 CB CYS A 102 9.655 -1.649 4.361 1.00 0.00 C ATOM 1360 SG CYS A 102 9.649 -3.221 3.433 1.00 0.00 S ATOM 0 H CYS A 102 7.176 -2.009 2.984 1.00 0.00 H new ATOM 0 HA CYS A 102 8.249 -0.171 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.544 -1.081 4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.733 -1.869 5.426 1.00 0.00 H new