USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 556 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 89 ASN : amide:sc= 0.922 K(o=-1.1,f=-0.37) USER MOD Set 1.2: A 115 TYR OH : rot 44:sc= -2.06! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.655 X(o=-0.66,f=-0.63) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 61:sc= 1.06 USER MOD Single : A 52 ASN : amide:sc= 0.491 K(o=0.49,f=-2.6!) USER MOD Single : A 54 SER OG : rot 68:sc= 1.07 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.334 K(o=0.33,f=-9.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 69 THR OG1 : rot 70:sc= -1.67! USER MOD Single : A 73 GLN : amide:sc= 1.18 K(o=1.2,f=-0.39) USER MOD Single : A 74 SER OG : rot -160:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -2.24! USER MOD Single : A 94 ASN : amide:sc= -0.638! C(o=-0.64!,f=-8.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 96 THR OG1 : rot 60:sc= 0.389 USER MOD Single : A 98 ASN : amide:sc= 0.221! C(o=0.22!,f=-8.6!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 111 SER OG : rot 180:sc= 0.04 USER MOD Single : A 114 ASN : amide:sc= -0.87 K(o=-0.87,f=-3.7!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= -0.0896 K(o=-0.09,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -1.242 13.065 -1.659 1.00 0.00 N ATOM 2 CA TYR A 44 -2.695 12.837 -1.403 1.00 0.00 C ATOM 3 C TYR A 44 -3.368 12.166 -2.605 1.00 0.00 C ATOM 4 O TYR A 44 -2.797 12.118 -3.693 1.00 0.00 O ATOM 5 CB TYR A 44 -3.362 14.188 -1.106 1.00 0.00 C ATOM 6 CG TYR A 44 -2.664 14.999 -0.035 1.00 0.00 C ATOM 7 CD1 TYR A 44 -2.662 14.582 1.291 1.00 0.00 C ATOM 8 CD2 TYR A 44 -2.002 16.180 -0.352 1.00 0.00 C ATOM 9 CE1 TYR A 44 -2.022 15.322 2.269 1.00 0.00 C ATOM 10 CE2 TYR A 44 -1.361 16.922 0.622 1.00 0.00 C ATOM 11 CZ TYR A 44 -1.374 16.490 1.929 1.00 0.00 C ATOM 12 OH TYR A 44 -0.736 17.225 2.899 1.00 0.00 O ATOM 0 HA TYR A 44 -2.807 12.170 -0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.398 14.773 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.393 14.013 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.168 13.667 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.989 16.523 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.030 14.986 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.852 17.837 0.359 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.328 18.018 2.493 1.00 0.00 H new ATOM 22 N CYS A 45 -4.585 11.655 -2.400 1.00 0.00 N ATOM 23 CA CYS A 45 -5.330 10.995 -3.475 1.00 0.00 C ATOM 24 C CYS A 45 -6.815 11.347 -3.417 1.00 0.00 C ATOM 25 O CYS A 45 -7.309 11.856 -2.405 1.00 0.00 O ATOM 26 CB CYS A 45 -5.153 9.476 -3.394 1.00 0.00 C ATOM 27 SG CYS A 45 -3.634 8.858 -4.190 1.00 0.00 S ATOM 0 H CYS A 45 -5.073 11.685 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.929 11.353 -4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.148 9.177 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.014 8.996 -3.858 1.00 0.00 H new ATOM 32 N HIS A 46 -7.523 11.062 -4.503 1.00 0.00 N ATOM 33 CA HIS A 46 -8.960 11.344 -4.590 1.00 0.00 C ATOM 34 C HIS A 46 -9.799 10.074 -4.439 1.00 0.00 C ATOM 35 O HIS A 46 -9.278 8.993 -4.152 1.00 0.00 O ATOM 36 CB HIS A 46 -9.287 12.011 -5.934 1.00 0.00 C ATOM 37 CG HIS A 46 -10.376 13.037 -5.866 1.00 0.00 C ATOM 38 ND1 HIS A 46 -11.468 13.029 -6.708 1.00 0.00 N ATOM 39 CD2 HIS A 46 -10.539 14.107 -5.054 1.00 0.00 C ATOM 40 CE1 HIS A 46 -12.255 14.050 -6.418 1.00 0.00 C ATOM 41 NE2 HIS A 46 -11.715 14.721 -5.417 1.00 0.00 N ATOM 0 H HIS A 46 -7.129 10.634 -5.341 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.209 12.017 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.384 12.483 -6.321 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -9.575 11.240 -6.648 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.870 14.421 -4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -13.182 14.294 -6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -12.106 15.558 -4.984 1.00 0.00 H new ATOM 50 N ARG A 47 -11.100 10.228 -4.659 1.00 0.00 N ATOM 51 CA ARG A 47 -12.049 9.115 -4.581 1.00 0.00 C ATOM 52 C ARG A 47 -12.917 9.092 -5.834 1.00 0.00 C ATOM 53 O ARG A 47 -12.849 8.153 -6.628 1.00 0.00 O ATOM 54 CB ARG A 47 -12.947 9.217 -3.333 1.00 0.00 C ATOM 55 CG ARG A 47 -12.381 10.077 -2.211 1.00 0.00 C ATOM 56 CD ARG A 47 -11.433 9.285 -1.324 1.00 0.00 C ATOM 57 NE ARG A 47 -10.091 9.869 -1.300 1.00 0.00 N ATOM 58 CZ ARG A 47 -8.991 9.200 -0.985 1.00 0.00 C ATOM 59 NH1 ARG A 47 -9.049 7.934 -0.628 1.00 0.00 N ATOM 60 NH2 ARG A 47 -7.825 9.807 -1.014 1.00 0.00 N ATOM 0 H ARG A 47 -11.529 11.123 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.475 8.192 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.914 9.622 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.126 8.213 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.854 10.931 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.198 10.474 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.831 9.248 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.375 8.257 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.996 10.855 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.949 7.455 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.194 7.432 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.768 10.790 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.977 9.294 -0.772 1.00 0.00 H new ATOM 74 N THR A 48 -13.722 10.144 -6.007 1.00 0.00 N ATOM 75 CA THR A 48 -14.610 10.279 -7.167 1.00 0.00 C ATOM 76 C THR A 48 -15.700 9.198 -7.181 1.00 0.00 C ATOM 77 O THR A 48 -16.884 9.518 -7.231 1.00 0.00 O ATOM 78 CB THR A 48 -13.781 10.281 -8.464 1.00 0.00 C ATOM 79 OG1 THR A 48 -14.022 11.465 -9.199 1.00 0.00 O ATOM 80 CG2 THR A 48 -14.045 9.115 -9.388 1.00 0.00 C ATOM 0 H THR A 48 -13.777 10.923 -5.351 1.00 0.00 H new ATOM 0 HA THR A 48 -15.131 11.234 -7.094 1.00 0.00 H new ATOM 0 HB THR A 48 -12.747 10.206 -8.126 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.488 11.455 -10.020 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.416 9.203 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.817 8.183 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.093 9.117 -9.686 1.00 0.00 H new ATOM 88 N THR A 49 -15.293 7.923 -7.130 1.00 0.00 N ATOM 89 CA THR A 49 -16.231 6.795 -7.127 1.00 0.00 C ATOM 90 C THR A 49 -17.273 6.930 -8.240 1.00 0.00 C ATOM 91 O THR A 49 -18.468 6.976 -7.968 1.00 0.00 O ATOM 92 CB THR A 49 -16.920 6.669 -5.752 1.00 0.00 C ATOM 93 OG1 THR A 49 -17.925 7.657 -5.568 1.00 0.00 O ATOM 94 CG2 THR A 49 -15.957 6.793 -4.589 1.00 0.00 C ATOM 0 H THR A 49 -14.312 7.647 -7.090 1.00 0.00 H new ATOM 0 HA THR A 49 -15.659 5.886 -7.317 1.00 0.00 H new ATOM 0 HB THR A 49 -17.356 5.670 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.614 7.555 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.504 6.696 -3.651 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.205 6.006 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.468 7.766 -4.624 1.00 0.00 H new ATOM 102 N ILE A 50 -16.807 6.975 -9.492 1.00 0.00 N ATOM 103 CA ILE A 50 -17.690 7.098 -10.652 1.00 0.00 C ATOM 104 C ILE A 50 -18.550 8.375 -10.583 1.00 0.00 C ATOM 105 O ILE A 50 -18.253 9.288 -9.811 1.00 0.00 O ATOM 106 CB ILE A 50 -18.558 5.821 -10.795 1.00 0.00 C ATOM 107 CG1 ILE A 50 -18.739 5.455 -12.270 1.00 0.00 C ATOM 108 CG2 ILE A 50 -19.913 5.959 -10.105 1.00 0.00 C ATOM 109 CD1 ILE A 50 -18.119 4.126 -12.643 1.00 0.00 C ATOM 0 H ILE A 50 -15.816 6.928 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.073 7.193 -11.546 1.00 0.00 H new ATOM 0 HB ILE A 50 -18.025 5.014 -10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.804 5.428 -12.501 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -18.299 6.238 -12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.483 5.039 -10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -19.763 6.146 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.463 6.791 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -18.286 3.931 -13.702 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -17.048 4.156 -12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.576 3.333 -12.052 1.00 0.00 H new ATOM 121 N GLY A 51 -19.599 8.450 -11.408 1.00 0.00 N ATOM 122 CA GLY A 51 -20.462 9.628 -11.426 1.00 0.00 C ATOM 123 C GLY A 51 -21.199 9.853 -10.114 1.00 0.00 C ATOM 124 O GLY A 51 -21.221 10.967 -9.594 1.00 0.00 O ATOM 0 H GLY A 51 -19.867 7.716 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.860 10.508 -11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.190 9.525 -12.231 1.00 0.00 H new ATOM 128 N ASN A 52 -21.808 8.796 -9.584 1.00 0.00 N ATOM 129 CA ASN A 52 -22.554 8.880 -8.323 1.00 0.00 C ATOM 130 C ASN A 52 -21.635 8.610 -7.126 1.00 0.00 C ATOM 131 O ASN A 52 -20.443 8.382 -7.288 1.00 0.00 O ATOM 132 CB ASN A 52 -23.727 7.884 -8.319 1.00 0.00 C ATOM 133 CG ASN A 52 -24.131 7.433 -9.710 1.00 0.00 C ATOM 134 OD1 ASN A 52 -23.374 6.749 -10.396 1.00 0.00 O ATOM 135 ND2 ASN A 52 -25.325 7.814 -10.139 1.00 0.00 N ATOM 0 H ASN A 52 -21.802 7.867 -10.006 1.00 0.00 H new ATOM 0 HA ASN A 52 -22.951 9.891 -8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -23.453 7.011 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -24.585 8.345 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -25.644 7.540 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -25.925 8.381 -9.540 1.00 0.00 H new ATOM 142 N PHE A 53 -22.202 8.624 -5.923 1.00 0.00 N ATOM 143 CA PHE A 53 -21.422 8.367 -4.706 1.00 0.00 C ATOM 144 C PHE A 53 -21.643 6.939 -4.198 1.00 0.00 C ATOM 145 O PHE A 53 -21.580 6.671 -2.994 1.00 0.00 O ATOM 146 CB PHE A 53 -21.796 9.373 -3.623 1.00 0.00 C ATOM 147 CG PHE A 53 -20.778 10.463 -3.440 1.00 0.00 C ATOM 148 CD1 PHE A 53 -20.864 11.637 -4.168 1.00 0.00 C ATOM 149 CD2 PHE A 53 -19.736 10.310 -2.541 1.00 0.00 C ATOM 150 CE1 PHE A 53 -19.928 12.641 -4.003 1.00 0.00 C ATOM 151 CE2 PHE A 53 -18.798 11.310 -2.370 1.00 0.00 C ATOM 152 CZ PHE A 53 -18.893 12.477 -3.101 1.00 0.00 C ATOM 0 H PHE A 53 -23.192 8.809 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 53 -20.366 8.479 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.757 9.823 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -21.926 8.846 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -21.671 11.770 -4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.656 9.399 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.005 13.552 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.991 11.179 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.161 13.260 -2.969 1.00 0.00 H new ATOM 162 N SER A 54 -21.903 6.036 -5.135 1.00 0.00 N ATOM 163 CA SER A 54 -22.147 4.620 -4.839 1.00 0.00 C ATOM 164 C SER A 54 -22.574 3.872 -6.104 1.00 0.00 C ATOM 165 O SER A 54 -23.754 3.857 -6.457 1.00 0.00 O ATOM 166 CB SER A 54 -23.225 4.466 -3.758 1.00 0.00 C ATOM 167 OG SER A 54 -22.665 4.570 -2.459 1.00 0.00 O ATOM 0 H SER A 54 -21.952 6.261 -6.129 1.00 0.00 H new ATOM 0 HA SER A 54 -21.216 4.191 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 54 -23.989 5.232 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 54 -23.719 3.501 -3.868 1.00 0.00 H new ATOM 0 HG SER A 54 -22.356 5.488 -2.308 1.00 0.00 H new ATOM 173 N GLY A 55 -21.605 3.265 -6.788 1.00 0.00 N ATOM 174 CA GLY A 55 -21.899 2.532 -8.015 1.00 0.00 C ATOM 175 C GLY A 55 -21.591 1.048 -7.901 1.00 0.00 C ATOM 176 O GLY A 55 -22.502 0.244 -7.699 1.00 0.00 O ATOM 0 H GLY A 55 -20.622 3.266 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -22.951 2.662 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -21.320 2.957 -8.835 1.00 0.00 H new ATOM 180 N PRO A 56 -20.308 0.654 -8.031 1.00 0.00 N ATOM 181 CA PRO A 56 -19.895 -0.755 -7.939 1.00 0.00 C ATOM 182 C PRO A 56 -19.943 -1.288 -6.500 1.00 0.00 C ATOM 183 O PRO A 56 -20.547 -0.671 -5.620 1.00 0.00 O ATOM 184 CB PRO A 56 -18.456 -0.724 -8.464 1.00 0.00 C ATOM 185 CG PRO A 56 -17.969 0.643 -8.130 1.00 0.00 C ATOM 186 CD PRO A 56 -19.159 1.550 -8.283 1.00 0.00 C ATOM 0 HA PRO A 56 -20.555 -1.418 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.843 -1.491 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -18.421 -0.907 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.576 0.681 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.160 0.944 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -19.129 2.375 -7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -19.203 1.990 -9.279 1.00 0.00 H new ATOM 194 N TYR A 57 -19.306 -2.439 -6.266 1.00 0.00 N ATOM 195 CA TYR A 57 -19.283 -3.044 -4.933 1.00 0.00 C ATOM 196 C TYR A 57 -18.453 -2.211 -3.952 1.00 0.00 C ATOM 197 O TYR A 57 -17.789 -1.243 -4.336 1.00 0.00 O ATOM 198 CB TYR A 57 -18.733 -4.473 -5.008 1.00 0.00 C ATOM 199 CG TYR A 57 -19.196 -5.370 -3.882 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.549 -5.556 -3.629 1.00 0.00 C ATOM 201 CD2 TYR A 57 -18.281 -6.029 -3.072 1.00 0.00 C ATOM 202 CE1 TYR A 57 -20.977 -6.374 -2.601 1.00 0.00 C ATOM 203 CE2 TYR A 57 -18.702 -6.849 -2.042 1.00 0.00 C ATOM 204 CZ TYR A 57 -20.049 -7.017 -1.812 1.00 0.00 C ATOM 205 OH TYR A 57 -20.471 -7.832 -0.789 1.00 0.00 O ATOM 0 H TYR A 57 -18.802 -2.967 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.308 -3.073 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.031 -4.917 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.644 -4.433 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.279 -5.053 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.224 -5.899 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.033 -6.508 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.978 -7.355 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 57 -19.692 -8.210 -0.330 1.00 0.00 H new ATOM 215 N THR A 58 -18.503 -2.590 -2.680 1.00 0.00 N ATOM 216 CA THR A 58 -17.764 -1.879 -1.637 1.00 0.00 C ATOM 217 C THR A 58 -16.376 -2.479 -1.429 1.00 0.00 C ATOM 218 O THR A 58 -16.219 -3.538 -0.818 1.00 0.00 O ATOM 219 CB THR A 58 -18.538 -1.892 -0.320 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.937 -1.820 -0.550 1.00 0.00 O ATOM 221 CG2 THR A 58 -18.172 -0.750 0.600 1.00 0.00 C ATOM 0 H THR A 58 -19.047 -3.385 -2.344 1.00 0.00 H new ATOM 0 HA THR A 58 -17.645 -0.848 -1.969 1.00 0.00 H new ATOM 0 HB THR A 58 -18.265 -2.832 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.411 -1.832 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.758 -0.819 1.517 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.111 -0.804 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.383 0.198 0.105 1.00 0.00 H new ATOM 229 N TYR A 59 -15.375 -1.780 -1.941 1.00 0.00 N ATOM 230 CA TYR A 59 -13.978 -2.205 -1.830 1.00 0.00 C ATOM 231 C TYR A 59 -13.212 -1.280 -0.884 1.00 0.00 C ATOM 232 O TYR A 59 -13.786 -0.355 -0.304 1.00 0.00 O ATOM 233 CB TYR A 59 -13.314 -2.182 -3.214 1.00 0.00 C ATOM 234 CG TYR A 59 -14.177 -2.723 -4.331 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.239 -4.084 -4.600 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.931 -1.866 -5.120 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.029 -4.573 -5.625 1.00 0.00 C ATOM 238 CE2 TYR A 59 -15.722 -2.347 -6.143 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.768 -3.698 -6.391 1.00 0.00 C ATOM 240 OH TYR A 59 -16.558 -4.174 -7.408 1.00 0.00 O ATOM 0 H TYR A 59 -15.502 -0.903 -2.445 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.955 -3.219 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.034 -1.156 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.392 -2.762 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.662 -4.771 -4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.898 -0.803 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.066 -5.634 -5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -16.303 -1.665 -6.746 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.869 -5.076 -7.185 1.00 0.00 H new ATOM 250 N CYS A 60 -11.905 -1.505 -0.750 1.00 0.00 N ATOM 251 CA CYS A 60 -11.079 -0.652 0.106 1.00 0.00 C ATOM 252 C CYS A 60 -10.987 0.748 -0.497 1.00 0.00 C ATOM 253 O CYS A 60 -11.052 0.910 -1.714 1.00 0.00 O ATOM 254 CB CYS A 60 -9.668 -1.227 0.283 1.00 0.00 C ATOM 255 SG CYS A 60 -9.621 -2.980 0.777 1.00 0.00 S ATOM 0 H CYS A 60 -11.400 -2.259 -1.216 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.551 -0.606 1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.123 -1.112 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.141 -0.637 1.033 1.00 0.00 H new ATOM 260 N ASN A 61 -10.824 1.756 0.348 1.00 0.00 N ATOM 261 CA ASN A 61 -10.714 3.132 -0.139 1.00 0.00 C ATOM 262 C ASN A 61 -9.256 3.498 -0.362 1.00 0.00 C ATOM 263 O ASN A 61 -8.397 3.186 0.463 1.00 0.00 O ATOM 264 CB ASN A 61 -11.367 4.126 0.828 1.00 0.00 C ATOM 265 CG ASN A 61 -11.699 5.455 0.165 1.00 0.00 C ATOM 266 OD1 ASN A 61 -10.809 6.192 -0.266 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.981 5.774 0.078 1.00 0.00 N ATOM 0 H ASN A 61 -10.765 1.655 1.361 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.247 3.191 -1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.280 3.688 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.697 4.301 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.259 6.654 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.690 5.140 0.445 1.00 0.00 H new ATOM 274 N THR A 62 -8.988 4.148 -1.488 1.00 0.00 N ATOM 275 CA THR A 62 -7.625 4.553 -1.845 1.00 0.00 C ATOM 276 C THR A 62 -6.935 5.279 -0.685 1.00 0.00 C ATOM 277 O THR A 62 -7.155 6.476 -0.466 1.00 0.00 O ATOM 278 CB THR A 62 -7.639 5.443 -3.092 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.172 4.731 -4.194 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.267 5.936 -3.498 1.00 0.00 C ATOM 0 H THR A 62 -9.696 4.409 -2.175 1.00 0.00 H new ATOM 0 HA THR A 62 -7.057 3.648 -2.062 1.00 0.00 H new ATOM 0 HB THR A 62 -8.252 6.305 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.178 5.309 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.353 6.560 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.835 6.520 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.623 5.083 -3.714 1.00 0.00 H new ATOM 288 N THR A 63 -6.105 4.549 0.057 1.00 0.00 N ATOM 289 CA THR A 63 -5.389 5.121 1.198 1.00 0.00 C ATOM 290 C THR A 63 -3.882 5.126 0.973 1.00 0.00 C ATOM 291 O THR A 63 -3.379 4.498 0.045 1.00 0.00 O ATOM 292 CB THR A 63 -5.703 4.339 2.477 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.482 5.148 3.618 1.00 0.00 O ATOM 294 CG2 THR A 63 -4.857 3.094 2.647 1.00 0.00 C ATOM 0 H THR A 63 -5.911 3.562 -0.110 1.00 0.00 H new ATOM 0 HA THR A 63 -5.727 6.152 1.304 1.00 0.00 H new ATOM 0 HB THR A 63 -6.748 4.044 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.688 4.635 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.133 2.590 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.024 2.423 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.804 3.372 2.685 1.00 0.00 H new ATOM 302 N LEU A 64 -3.167 5.812 1.851 1.00 0.00 N ATOM 303 CA LEU A 64 -1.716 5.875 1.775 1.00 0.00 C ATOM 304 C LEU A 64 -1.110 5.567 3.139 1.00 0.00 C ATOM 305 O LEU A 64 -1.498 6.147 4.155 1.00 0.00 O ATOM 306 CB LEU A 64 -1.259 7.238 1.268 1.00 0.00 C ATOM 307 CG LEU A 64 0.257 7.419 1.158 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.621 8.085 -0.158 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.783 8.234 2.328 1.00 0.00 C ATOM 0 H LEU A 64 -3.570 6.335 2.628 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.369 5.125 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.701 7.409 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.653 8.006 1.934 1.00 0.00 H new ATOM 0 HG LEU A 64 0.723 6.434 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.703 8.205 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.278 7.465 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.144 9.063 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.862 8.352 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.309 9.216 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.555 7.719 3.261 1.00 0.00 H new ATOM 321 N ASP A 65 -0.173 4.638 3.145 1.00 0.00 N ATOM 322 CA ASP A 65 0.494 4.207 4.374 1.00 0.00 C ATOM 323 C ASP A 65 1.861 4.889 4.535 1.00 0.00 C ATOM 324 O ASP A 65 2.128 5.911 3.902 1.00 0.00 O ATOM 325 CB ASP A 65 0.633 2.674 4.367 1.00 0.00 C ATOM 326 CG ASP A 65 0.668 2.075 5.756 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.756 2.077 6.379 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.388 1.610 6.220 1.00 0.00 O ATOM 0 H ASP A 65 0.151 4.158 2.305 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.112 4.505 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.200 2.242 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.545 2.400 3.837 1.00 0.00 H new ATOM 333 N GLN A 66 2.721 4.324 5.387 1.00 0.00 N ATOM 334 CA GLN A 66 4.052 4.881 5.623 1.00 0.00 C ATOM 335 C GLN A 66 4.804 5.102 4.305 1.00 0.00 C ATOM 336 O GLN A 66 5.588 6.043 4.183 1.00 0.00 O ATOM 337 CB GLN A 66 4.851 3.960 6.550 1.00 0.00 C ATOM 338 CG GLN A 66 4.375 3.988 7.996 1.00 0.00 C ATOM 339 CD GLN A 66 4.570 2.660 8.702 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.487 2.501 9.504 1.00 0.00 O ATOM 341 NE2 GLN A 66 3.710 1.697 8.405 1.00 0.00 N ATOM 0 H GLN A 66 2.517 3.481 5.924 1.00 0.00 H new ATOM 0 HA GLN A 66 3.934 5.852 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.788 2.938 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.902 4.248 6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.915 4.765 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.319 4.257 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.962 1.870 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.796 0.782 8.848 1.00 0.00 H new ATOM 350 N ILE A 67 4.550 4.243 3.314 1.00 0.00 N ATOM 351 CA ILE A 67 5.190 4.369 2.002 1.00 0.00 C ATOM 352 C ILE A 67 4.280 5.104 1.019 1.00 0.00 C ATOM 353 O ILE A 67 3.050 5.056 1.136 1.00 0.00 O ATOM 354 CB ILE A 67 5.579 3.001 1.390 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.599 1.900 1.812 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.999 2.629 1.782 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.574 0.721 0.865 1.00 0.00 C ATOM 0 H ILE A 67 3.908 3.455 3.395 1.00 0.00 H new ATOM 0 HA ILE A 67 6.103 4.940 2.169 1.00 0.00 H new ATOM 0 HB ILE A 67 5.527 3.094 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.866 1.550 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.597 2.323 1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.257 1.665 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.689 3.390 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.072 2.565 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.859 -0.019 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.278 1.058 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.566 0.273 0.815 1.00 0.00 H new ATOM 369 N GLY A 68 4.891 5.781 0.044 1.00 0.00 N ATOM 370 CA GLY A 68 4.128 6.521 -0.956 1.00 0.00 C ATOM 371 C GLY A 68 3.328 5.616 -1.877 1.00 0.00 C ATOM 372 O GLY A 68 3.556 5.592 -3.086 1.00 0.00 O ATOM 0 H GLY A 68 5.903 5.830 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.450 7.209 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.811 7.126 -1.552 1.00 0.00 H new ATOM 376 N THR A 69 2.388 4.870 -1.301 1.00 0.00 N ATOM 377 CA THR A 69 1.546 3.956 -2.070 1.00 0.00 C ATOM 378 C THR A 69 0.068 4.213 -1.775 1.00 0.00 C ATOM 379 O THR A 69 -0.410 3.957 -0.669 1.00 0.00 O ATOM 380 CB THR A 69 1.898 2.496 -1.748 1.00 0.00 C ATOM 381 OG1 THR A 69 3.177 2.150 -2.267 1.00 0.00 O ATOM 382 CG2 THR A 69 0.911 1.500 -2.309 1.00 0.00 C ATOM 0 H THR A 69 2.190 4.881 -0.301 1.00 0.00 H new ATOM 0 HA THR A 69 1.730 4.135 -3.129 1.00 0.00 H new ATOM 0 HB THR A 69 1.879 2.441 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.873 2.617 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.222 0.490 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.078 1.696 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.875 1.595 -3.394 1.00 0.00 H new ATOM 390 N CYS A 70 -0.657 4.716 -2.770 1.00 0.00 N ATOM 391 CA CYS A 70 -2.081 4.992 -2.601 1.00 0.00 C ATOM 392 C CYS A 70 -2.897 3.718 -2.813 1.00 0.00 C ATOM 393 O CYS A 70 -3.532 3.541 -3.852 1.00 0.00 O ATOM 394 CB CYS A 70 -2.544 6.096 -3.556 1.00 0.00 C ATOM 395 SG CYS A 70 -2.767 7.717 -2.754 1.00 0.00 S ATOM 0 H CYS A 70 -0.287 4.939 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.242 5.343 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.816 6.196 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.486 5.795 -4.014 1.00 0.00 H new ATOM 400 N TRP A 71 -2.864 2.840 -1.811 1.00 0.00 N ATOM 401 CA TRP A 71 -3.586 1.564 -1.845 1.00 0.00 C ATOM 402 C TRP A 71 -5.069 1.779 -2.181 1.00 0.00 C ATOM 403 O TRP A 71 -5.846 2.214 -1.328 1.00 0.00 O ATOM 404 CB TRP A 71 -3.459 0.840 -0.490 1.00 0.00 C ATOM 405 CG TRP A 71 -2.095 0.928 0.147 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.665 1.865 1.046 1.00 0.00 C ATOM 407 CD2 TRP A 71 -0.990 0.039 -0.056 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.362 1.614 1.405 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.072 0.497 0.748 1.00 0.00 C ATOM 410 CE3 TRP A 71 -0.794 -1.099 -0.835 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.307 -0.147 0.790 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.431 -1.738 -0.790 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.466 -1.263 0.016 1.00 0.00 C ATOM 0 H TRP A 71 -2.336 2.991 -0.951 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.140 0.947 -2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.194 1.256 0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.712 -0.211 -0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.263 2.683 1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.191 2.171 2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.587 -1.476 -1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.110 0.222 1.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.590 -2.622 -1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.411 -1.787 0.029 1.00 0.00 H new ATOM 424 N PRO A 72 -5.480 1.484 -3.436 1.00 0.00 N ATOM 425 CA PRO A 72 -6.867 1.659 -3.885 1.00 0.00 C ATOM 426 C PRO A 72 -7.773 0.475 -3.537 1.00 0.00 C ATOM 427 O PRO A 72 -7.405 -0.398 -2.748 1.00 0.00 O ATOM 428 CB PRO A 72 -6.712 1.773 -5.402 1.00 0.00 C ATOM 429 CG PRO A 72 -5.524 0.932 -5.728 1.00 0.00 C ATOM 430 CD PRO A 72 -4.619 0.963 -4.521 1.00 0.00 C ATOM 0 HA PRO A 72 -7.342 2.515 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.603 1.416 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.560 2.808 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.826 -0.090 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.008 1.317 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.237 -0.030 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.755 1.606 -4.687 1.00 0.00 H new ATOM 438 N GLN A 73 -8.963 0.462 -4.138 1.00 0.00 N ATOM 439 CA GLN A 73 -9.941 -0.607 -3.914 1.00 0.00 C ATOM 440 C GLN A 73 -9.329 -1.992 -4.142 1.00 0.00 C ATOM 441 O GLN A 73 -8.934 -2.337 -5.259 1.00 0.00 O ATOM 442 CB GLN A 73 -11.164 -0.425 -4.820 1.00 0.00 C ATOM 443 CG GLN A 73 -10.823 0.009 -6.233 1.00 0.00 C ATOM 444 CD GLN A 73 -11.210 -1.017 -7.278 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.200 -0.856 -7.986 1.00 0.00 O ATOM 446 NE2 GLN A 73 -10.430 -2.080 -7.375 1.00 0.00 N ATOM 0 H GLN A 73 -9.276 1.184 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.255 -0.541 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.716 -1.364 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.828 0.315 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.329 0.949 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.752 0.201 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.617 -2.173 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.641 -2.807 -8.059 1.00 0.00 H new ATOM 455 N SER A 74 -9.260 -2.779 -3.073 1.00 0.00 N ATOM 456 CA SER A 74 -8.708 -4.130 -3.136 1.00 0.00 C ATOM 457 C SER A 74 -9.801 -5.159 -2.873 1.00 0.00 C ATOM 458 O SER A 74 -10.187 -5.916 -3.761 1.00 0.00 O ATOM 459 CB SER A 74 -7.583 -4.285 -2.104 1.00 0.00 C ATOM 460 OG SER A 74 -6.674 -5.314 -2.468 1.00 0.00 O ATOM 0 H SER A 74 -9.582 -2.502 -2.145 1.00 0.00 H new ATOM 0 HA SER A 74 -8.302 -4.297 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.045 -3.342 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.013 -4.508 -1.128 1.00 0.00 H new ATOM 0 HG SER A 74 -6.174 -5.604 -1.677 1.00 0.00 H new ATOM 466 N ALA A 75 -10.291 -5.159 -1.635 1.00 0.00 N ATOM 467 CA ALA A 75 -11.344 -6.062 -1.183 1.00 0.00 C ATOM 468 C ALA A 75 -11.452 -6.001 0.339 1.00 0.00 C ATOM 469 O ALA A 75 -10.434 -5.912 1.031 1.00 0.00 O ATOM 470 CB ALA A 75 -11.072 -7.491 -1.641 1.00 0.00 C ATOM 0 H ALA A 75 -9.962 -4.523 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.289 -5.745 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.872 -8.144 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.029 -7.522 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.121 -7.830 -1.230 1.00 0.00 H new ATOM 476 N PRO A 76 -12.682 -6.039 0.891 1.00 0.00 N ATOM 477 CA PRO A 76 -12.892 -5.984 2.345 1.00 0.00 C ATOM 478 C PRO A 76 -12.162 -7.118 3.069 1.00 0.00 C ATOM 479 O PRO A 76 -12.688 -8.222 3.205 1.00 0.00 O ATOM 480 CB PRO A 76 -14.415 -6.118 2.500 1.00 0.00 C ATOM 481 CG PRO A 76 -14.896 -6.667 1.198 1.00 0.00 C ATOM 482 CD PRO A 76 -13.953 -6.140 0.156 1.00 0.00 C ATOM 0 HA PRO A 76 -12.499 -5.067 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.669 -6.783 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.875 -5.153 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.896 -7.757 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.919 -6.351 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.875 -6.814 -0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.275 -5.173 -0.230 1.00 0.00 H new ATOM 490 N GLY A 77 -10.939 -6.839 3.519 1.00 0.00 N ATOM 491 CA GLY A 77 -10.143 -7.847 4.207 1.00 0.00 C ATOM 492 C GLY A 77 -9.286 -8.649 3.246 1.00 0.00 C ATOM 493 O GLY A 77 -9.683 -9.729 2.812 1.00 0.00 O ATOM 0 H GLY A 77 -10.484 -5.932 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.504 -7.362 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.804 -8.521 4.752 1.00 0.00 H new ATOM 497 N ALA A 78 -8.112 -8.119 2.897 1.00 0.00 N ATOM 498 CA ALA A 78 -7.216 -8.800 1.968 1.00 0.00 C ATOM 499 C ALA A 78 -5.783 -8.270 2.041 1.00 0.00 C ATOM 500 O ALA A 78 -5.555 -7.062 2.150 1.00 0.00 O ATOM 501 CB ALA A 78 -7.744 -8.664 0.543 1.00 0.00 C ATOM 0 H ALA A 78 -7.763 -7.225 3.243 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.189 -9.850 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.070 -9.175 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.736 -9.111 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.804 -7.609 0.276 1.00 0.00 H new ATOM 507 N LEU A 79 -4.828 -9.192 1.951 1.00 0.00 N ATOM 508 CA LEU A 79 -3.403 -8.854 1.970 1.00 0.00 C ATOM 509 C LEU A 79 -2.865 -8.824 0.538 1.00 0.00 C ATOM 510 O LEU A 79 -3.185 -9.699 -0.267 1.00 0.00 O ATOM 511 CB LEU A 79 -2.619 -9.879 2.806 1.00 0.00 C ATOM 512 CG LEU A 79 -1.106 -9.638 2.899 1.00 0.00 C ATOM 513 CD1 LEU A 79 -0.509 -10.436 4.046 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.419 -10.005 1.593 1.00 0.00 C ATOM 0 H LEU A 79 -5.016 -10.191 1.863 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.278 -7.871 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.030 -9.889 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.786 -10.870 2.384 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.944 -8.577 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.564 -10.253 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.974 -10.130 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.688 -11.499 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.652 -9.826 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.594 -11.058 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.823 -9.394 0.785 1.00 0.00 H new ATOM 526 N VAL A 80 -2.053 -7.820 0.217 1.00 0.00 N ATOM 527 CA VAL A 80 -1.491 -7.701 -1.131 1.00 0.00 C ATOM 528 C VAL A 80 -0.002 -7.335 -1.103 1.00 0.00 C ATOM 529 O VAL A 80 0.470 -6.666 -0.181 1.00 0.00 O ATOM 530 CB VAL A 80 -2.271 -6.665 -1.979 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.731 -6.622 -3.401 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.756 -6.991 -1.992 1.00 0.00 C ATOM 0 H VAL A 80 -1.770 -7.083 0.862 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.591 -8.682 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.135 -5.684 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.291 -5.889 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.678 -6.341 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.836 -7.605 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.286 -6.252 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.907 -7.982 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.141 -6.973 -0.973 1.00 0.00 H new ATOM 542 N GLU A 81 0.722 -7.786 -2.126 1.00 0.00 N ATOM 543 CA GLU A 81 2.163 -7.537 -2.260 1.00 0.00 C ATOM 544 C GLU A 81 2.458 -6.093 -2.687 1.00 0.00 C ATOM 545 O GLU A 81 1.536 -5.309 -2.945 1.00 0.00 O ATOM 546 CB GLU A 81 2.765 -8.516 -3.279 1.00 0.00 C ATOM 547 CG GLU A 81 2.185 -9.928 -3.200 1.00 0.00 C ATOM 548 CD GLU A 81 1.007 -10.143 -4.137 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.003 -9.415 -4.003 1.00 0.00 O ATOM 550 OE2 GLU A 81 1.095 -11.038 -4.998 1.00 0.00 O ATOM 0 H GLU A 81 0.328 -8.336 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 81 2.620 -7.691 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.605 -8.124 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.843 -8.568 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.967 -10.649 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.868 -10.127 -2.176 1.00 0.00 H new ATOM 557 N ARG A 82 3.744 -5.741 -2.753 1.00 0.00 N ATOM 558 CA ARG A 82 4.160 -4.387 -3.144 1.00 0.00 C ATOM 559 C ARG A 82 5.682 -4.230 -3.051 1.00 0.00 C ATOM 560 O ARG A 82 6.306 -4.706 -2.103 1.00 0.00 O ATOM 561 CB ARG A 82 3.467 -3.345 -2.251 1.00 0.00 C ATOM 562 CG ARG A 82 4.038 -1.935 -2.367 1.00 0.00 C ATOM 563 CD ARG A 82 3.013 -0.954 -2.918 1.00 0.00 C ATOM 564 NE ARG A 82 3.039 -0.903 -4.383 1.00 0.00 N ATOM 565 CZ ARG A 82 3.334 0.177 -5.107 1.00 0.00 C ATOM 566 NH1 ARG A 82 3.523 1.359 -4.541 1.00 0.00 N ATOM 567 NH2 ARG A 82 3.398 0.077 -6.421 1.00 0.00 N ATOM 0 H ARG A 82 4.517 -6.372 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 82 3.864 -4.226 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.407 -3.316 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.539 -3.669 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.374 -1.597 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.913 -1.949 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.017 -1.243 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.209 0.040 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 82 2.814 -1.760 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.444 1.458 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.748 2.170 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.223 -0.820 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.623 0.897 -6.985 1.00 0.00 H new ATOM 581 N PRO A 83 6.306 -3.543 -4.031 1.00 0.00 N ATOM 582 CA PRO A 83 7.757 -3.316 -4.033 1.00 0.00 C ATOM 583 C PRO A 83 8.204 -2.474 -2.837 1.00 0.00 C ATOM 584 O PRO A 83 7.546 -1.494 -2.477 1.00 0.00 O ATOM 585 CB PRO A 83 8.006 -2.566 -5.347 1.00 0.00 C ATOM 586 CG PRO A 83 6.692 -1.957 -5.694 1.00 0.00 C ATOM 587 CD PRO A 83 5.653 -2.923 -5.200 1.00 0.00 C ATOM 0 HA PRO A 83 8.318 -4.247 -3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.776 -1.804 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.347 -3.243 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.576 -0.982 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.604 -1.803 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.729 -2.415 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.396 -3.663 -5.958 1.00 0.00 H new ATOM 595 N CYS A 84 9.320 -2.864 -2.222 1.00 0.00 N ATOM 596 CA CYS A 84 9.851 -2.141 -1.060 1.00 0.00 C ATOM 597 C CYS A 84 10.162 -0.687 -1.417 1.00 0.00 C ATOM 598 O CYS A 84 10.643 -0.409 -2.515 1.00 0.00 O ATOM 599 CB CYS A 84 11.113 -2.826 -0.527 1.00 0.00 C ATOM 600 SG CYS A 84 10.930 -3.517 1.150 1.00 0.00 S ATOM 0 H CYS A 84 9.874 -3.672 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 84 9.087 -2.154 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.395 -3.627 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.931 -2.106 -0.525 1.00 0.00 H new ATOM 605 N PRO A 85 9.889 0.260 -0.488 1.00 0.00 N ATOM 606 CA PRO A 85 10.130 1.692 -0.686 1.00 0.00 C ATOM 607 C PRO A 85 11.363 1.987 -1.549 1.00 0.00 C ATOM 608 O PRO A 85 12.501 1.902 -1.085 1.00 0.00 O ATOM 609 CB PRO A 85 10.321 2.224 0.746 1.00 0.00 C ATOM 610 CG PRO A 85 9.972 1.091 1.671 1.00 0.00 C ATOM 611 CD PRO A 85 9.319 0.020 0.839 1.00 0.00 C ATOM 0 HA PRO A 85 9.309 2.164 -1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.348 2.552 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.679 3.086 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.866 0.705 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.299 1.431 2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.553 -0.979 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.233 0.113 0.837 1.00 0.00 H new ATOM 619 N GLU A 86 11.109 2.328 -2.812 1.00 0.00 N ATOM 620 CA GLU A 86 12.174 2.636 -3.769 1.00 0.00 C ATOM 621 C GLU A 86 12.718 4.048 -3.544 1.00 0.00 C ATOM 622 O GLU A 86 13.925 4.238 -3.385 1.00 0.00 O ATOM 623 CB GLU A 86 11.653 2.493 -5.208 1.00 0.00 C ATOM 624 CG GLU A 86 10.671 1.339 -5.404 1.00 0.00 C ATOM 625 CD GLU A 86 9.218 1.764 -5.274 1.00 0.00 C ATOM 626 OE1 GLU A 86 8.843 2.279 -4.195 1.00 0.00 O ATOM 627 OE2 GLU A 86 8.457 1.582 -6.245 1.00 0.00 O ATOM 0 H GLU A 86 10.168 2.399 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 86 12.987 1.927 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.167 3.423 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.501 2.352 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.828 0.900 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.883 0.561 -4.670 1.00 0.00 H new ATOM 634 N TYR A 87 11.820 5.034 -3.526 1.00 0.00 N ATOM 635 CA TYR A 87 12.207 6.429 -3.310 1.00 0.00 C ATOM 636 C TYR A 87 11.353 7.072 -2.210 1.00 0.00 C ATOM 637 O TYR A 87 10.903 8.215 -2.336 1.00 0.00 O ATOM 638 CB TYR A 87 12.092 7.216 -4.620 1.00 0.00 C ATOM 639 CG TYR A 87 13.404 7.333 -5.363 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.341 8.295 -5.009 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.709 6.477 -6.416 1.00 0.00 C ATOM 642 CE1 TYR A 87 15.543 8.402 -5.683 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.911 6.578 -7.091 1.00 0.00 C ATOM 644 CZ TYR A 87 15.822 7.542 -6.720 1.00 0.00 C ATOM 645 OH TYR A 87 17.019 7.643 -7.388 1.00 0.00 O ATOM 0 H TYR A 87 10.819 4.892 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 87 13.245 6.453 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.359 6.731 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.714 8.215 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.127 8.970 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.996 5.722 -6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.260 9.157 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.135 5.904 -7.905 1.00 0.00 H new ATOM 0 HH TYR A 87 17.060 6.962 -8.091 1.00 0.00 H new ATOM 655 N PHE A 88 11.139 6.323 -1.126 1.00 0.00 N ATOM 656 CA PHE A 88 10.343 6.800 0.006 1.00 0.00 C ATOM 657 C PHE A 88 10.984 6.397 1.341 1.00 0.00 C ATOM 658 O PHE A 88 12.074 5.825 1.370 1.00 0.00 O ATOM 659 CB PHE A 88 8.916 6.236 -0.081 1.00 0.00 C ATOM 660 CG PHE A 88 8.154 6.690 -1.296 1.00 0.00 C ATOM 661 CD1 PHE A 88 7.729 8.003 -1.411 1.00 0.00 C ATOM 662 CD2 PHE A 88 7.863 5.802 -2.320 1.00 0.00 C ATOM 663 CE1 PHE A 88 7.027 8.424 -2.524 1.00 0.00 C ATOM 664 CE2 PHE A 88 7.161 6.218 -3.437 1.00 0.00 C ATOM 665 CZ PHE A 88 6.744 7.531 -3.539 1.00 0.00 C ATOM 0 H PHE A 88 11.508 5.379 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 88 10.305 7.888 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.966 5.147 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.365 6.530 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.949 8.706 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.188 4.775 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.700 9.450 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.939 5.517 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.198 7.859 -4.411 1.00 0.00 H new ATOM 675 N ASN A 89 10.292 6.697 2.446 1.00 0.00 N ATOM 676 CA ASN A 89 10.778 6.362 3.792 1.00 0.00 C ATOM 677 C ASN A 89 12.099 7.072 4.133 1.00 0.00 C ATOM 678 O ASN A 89 12.813 6.649 5.042 1.00 0.00 O ATOM 679 CB ASN A 89 10.954 4.843 3.922 1.00 0.00 C ATOM 680 CG ASN A 89 9.795 4.173 4.632 1.00 0.00 C ATOM 681 OD1 ASN A 89 9.977 3.512 5.650 1.00 0.00 O ATOM 682 ND2 ASN A 89 8.593 4.336 4.098 1.00 0.00 N ATOM 0 H ASN A 89 9.390 7.173 2.435 1.00 0.00 H new ATOM 0 HA ASN A 89 10.029 6.712 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.064 4.409 2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.876 4.634 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.778 3.904 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.483 4.893 3.251 1.00 0.00 H new ATOM 689 N GLY A 90 12.415 8.151 3.411 1.00 0.00 N ATOM 690 CA GLY A 90 13.648 8.890 3.664 1.00 0.00 C ATOM 691 C GLY A 90 14.903 8.059 3.449 1.00 0.00 C ATOM 692 O GLY A 90 15.836 8.124 4.250 1.00 0.00 O ATOM 0 H GLY A 90 11.840 8.526 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.681 9.762 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.637 9.261 4.689 1.00 0.00 H new ATOM 696 N ILE A 91 14.928 7.283 2.367 1.00 0.00 N ATOM 697 CA ILE A 91 16.079 6.440 2.049 1.00 0.00 C ATOM 698 C ILE A 91 16.153 6.137 0.551 1.00 0.00 C ATOM 699 O ILE A 91 15.298 6.570 -0.227 1.00 0.00 O ATOM 700 CB ILE A 91 16.039 5.115 2.847 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.383 4.398 2.774 1.00 0.00 C ATOM 702 CG2 ILE A 91 14.939 4.199 2.333 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.416 4.927 3.742 1.00 0.00 C ATOM 0 H ILE A 91 14.163 7.221 1.695 1.00 0.00 H new ATOM 0 HA ILE A 91 16.971 6.997 2.336 1.00 0.00 H new ATOM 0 HB ILE A 91 15.827 5.364 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 91 17.228 3.337 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.774 4.483 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.934 3.276 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.974 4.696 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.119 3.968 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.343 4.365 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.603 5.981 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.048 4.817 4.762 1.00 0.00 H new ATOM 715 N TYR A 93 16.492 1.532 -3.756 1.00 0.00 N ATOM 716 CA TYR A 93 17.473 0.452 -3.608 1.00 0.00 C ATOM 717 C TYR A 93 17.008 -0.587 -2.584 1.00 0.00 C ATOM 718 O TYR A 93 16.090 -0.338 -1.802 1.00 0.00 O ATOM 719 CB TYR A 93 18.852 1.002 -3.211 1.00 0.00 C ATOM 720 CG TYR A 93 18.835 2.207 -2.294 1.00 0.00 C ATOM 721 CD1 TYR A 93 17.870 2.355 -1.305 1.00 0.00 C ATOM 722 CD2 TYR A 93 19.812 3.187 -2.408 1.00 0.00 C ATOM 723 CE1 TYR A 93 17.878 3.448 -0.463 1.00 0.00 C ATOM 724 CE2 TYR A 93 19.829 4.278 -1.564 1.00 0.00 C ATOM 725 CZ TYR A 93 18.861 4.404 -0.596 1.00 0.00 C ATOM 726 OH TYR A 93 18.892 5.478 0.258 1.00 0.00 O ATOM 0 HA TYR A 93 17.561 -0.036 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.415 0.205 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.393 1.266 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 93 17.102 1.603 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.571 3.094 -3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.117 3.554 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.599 5.029 -1.663 1.00 0.00 H new ATOM 0 HH TYR A 93 19.649 6.057 0.028 1.00 0.00 H new ATOM 736 N ASN A 94 17.649 -1.762 -2.600 1.00 0.00 N ATOM 737 CA ASN A 94 17.300 -2.851 -1.680 1.00 0.00 C ATOM 738 C ASN A 94 15.808 -3.219 -1.782 1.00 0.00 C ATOM 739 O ASN A 94 15.191 -3.651 -0.805 1.00 0.00 O ATOM 740 CB ASN A 94 17.660 -2.460 -0.236 1.00 0.00 C ATOM 741 CG ASN A 94 18.363 -3.570 0.518 1.00 0.00 C ATOM 742 OD1 ASN A 94 18.307 -4.741 0.133 1.00 0.00 O ATOM 743 ND2 ASN A 94 19.030 -3.213 1.605 1.00 0.00 N ATOM 0 H ASN A 94 18.412 -1.983 -3.240 1.00 0.00 H new ATOM 0 HA ASN A 94 17.877 -3.731 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.300 -1.577 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.750 -2.185 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.521 -3.917 2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.053 -2.234 1.891 1.00 0.00 H new ATOM 750 N THR A 95 15.240 -3.049 -2.981 1.00 0.00 N ATOM 751 CA THR A 95 13.826 -3.354 -3.233 1.00 0.00 C ATOM 752 C THR A 95 13.554 -4.861 -3.321 1.00 0.00 C ATOM 753 O THR A 95 12.403 -5.274 -3.485 1.00 0.00 O ATOM 754 CB THR A 95 13.370 -2.680 -4.532 1.00 0.00 C ATOM 755 OG1 THR A 95 14.356 -2.823 -5.538 1.00 0.00 O ATOM 756 CG2 THR A 95 13.085 -1.203 -4.384 1.00 0.00 C ATOM 0 H THR A 95 15.741 -2.699 -3.798 1.00 0.00 H new ATOM 0 HA THR A 95 13.261 -2.966 -2.385 1.00 0.00 H new ATOM 0 HB THR A 95 12.442 -3.183 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.049 -2.389 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.768 -0.796 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.294 -1.057 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.988 -0.690 -4.053 1.00 0.00 H new ATOM 764 N THR A 96 14.604 -5.685 -3.213 1.00 0.00 N ATOM 765 CA THR A 96 14.464 -7.149 -3.288 1.00 0.00 C ATOM 766 C THR A 96 13.732 -7.724 -2.067 1.00 0.00 C ATOM 767 O THR A 96 14.217 -8.656 -1.419 1.00 0.00 O ATOM 768 CB THR A 96 15.844 -7.800 -3.417 1.00 0.00 C ATOM 769 OG1 THR A 96 16.584 -7.632 -2.223 1.00 0.00 O ATOM 770 CG2 THR A 96 16.674 -7.236 -4.548 1.00 0.00 C ATOM 0 H THR A 96 15.562 -5.364 -3.073 1.00 0.00 H new ATOM 0 HA THR A 96 13.863 -7.374 -4.169 1.00 0.00 H new ATOM 0 HB THR A 96 15.648 -8.852 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.106 -8.055 -1.479 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.638 -7.744 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.152 -7.388 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.831 -6.169 -4.388 1.00 0.00 H new ATOM 778 N ARG A 97 12.556 -7.174 -1.780 1.00 0.00 N ATOM 779 CA ARG A 97 11.725 -7.617 -0.661 1.00 0.00 C ATOM 780 C ARG A 97 10.251 -7.431 -1.032 1.00 0.00 C ATOM 781 O ARG A 97 9.837 -7.837 -2.120 1.00 0.00 O ATOM 782 CB ARG A 97 12.086 -6.835 0.612 1.00 0.00 C ATOM 783 CG ARG A 97 13.530 -7.009 1.052 1.00 0.00 C ATOM 784 CD ARG A 97 14.212 -5.669 1.258 1.00 0.00 C ATOM 785 NE ARG A 97 15.666 -5.772 1.155 1.00 0.00 N ATOM 786 CZ ARG A 97 16.445 -6.368 2.049 1.00 0.00 C ATOM 787 NH1 ARG A 97 15.931 -6.889 3.149 1.00 0.00 N ATOM 788 NH2 ARG A 97 17.744 -6.414 1.851 1.00 0.00 N ATOM 0 H ARG A 97 12.150 -6.407 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 97 11.905 -8.673 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.893 -5.776 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.429 -7.154 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.563 -7.582 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.074 -7.584 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.846 -4.958 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.945 -5.274 2.238 1.00 0.00 H new ATOM 0 HE ARG A 97 16.114 -5.356 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.926 -6.835 3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.539 -7.345 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.148 -5.993 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.348 -6.871 2.534 1.00 0.00 H new ATOM 802 N ASN A 98 9.465 -6.808 -0.159 1.00 0.00 N ATOM 803 CA ASN A 98 8.057 -6.569 -0.453 1.00 0.00 C ATOM 804 C ASN A 98 7.342 -5.823 0.663 1.00 0.00 C ATOM 805 O ASN A 98 7.855 -5.666 1.771 1.00 0.00 O ATOM 806 CB ASN A 98 7.323 -7.882 -0.728 1.00 0.00 C ATOM 807 CG ASN A 98 6.680 -7.895 -2.094 1.00 0.00 C ATOM 808 OD1 ASN A 98 5.501 -7.577 -2.240 1.00 0.00 O ATOM 809 ND2 ASN A 98 7.456 -8.243 -3.108 1.00 0.00 N ATOM 0 H ASN A 98 9.776 -6.463 0.749 1.00 0.00 H new ATOM 0 HA ASN A 98 8.039 -5.942 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.024 -8.713 -0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.559 -8.037 0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.081 -8.255 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.429 -8.500 -2.941 1.00 0.00 H new ATOM 816 N ALA A 99 6.140 -5.385 0.339 1.00 0.00 N ATOM 817 CA ALA A 99 5.286 -4.664 1.264 1.00 0.00 C ATOM 818 C ALA A 99 3.897 -5.299 1.263 1.00 0.00 C ATOM 819 O ALA A 99 2.941 -4.744 0.715 1.00 0.00 O ATOM 820 CB ALA A 99 5.231 -3.190 0.881 1.00 0.00 C ATOM 0 H ALA A 99 5.725 -5.521 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 99 5.691 -4.726 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.588 -2.656 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.235 -2.767 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.831 -3.091 -0.128 1.00 0.00 H new ATOM 826 N TYR A 100 3.804 -6.488 1.862 1.00 0.00 N ATOM 827 CA TYR A 100 2.547 -7.229 1.917 1.00 0.00 C ATOM 828 C TYR A 100 1.510 -6.492 2.768 1.00 0.00 C ATOM 829 O TYR A 100 1.268 -6.834 3.927 1.00 0.00 O ATOM 830 CB TYR A 100 2.786 -8.652 2.447 1.00 0.00 C ATOM 831 CG TYR A 100 3.875 -9.408 1.705 1.00 0.00 C ATOM 832 CD1 TYR A 100 3.831 -9.559 0.323 1.00 0.00 C ATOM 833 CD2 TYR A 100 4.951 -9.963 2.387 1.00 0.00 C ATOM 834 CE1 TYR A 100 4.827 -10.240 -0.355 1.00 0.00 C ATOM 835 CE2 TYR A 100 5.951 -10.647 1.716 1.00 0.00 C ATOM 836 CZ TYR A 100 5.884 -10.782 0.346 1.00 0.00 C ATOM 837 OH TYR A 100 6.881 -11.456 -0.324 1.00 0.00 O ATOM 0 H TYR A 100 4.588 -6.957 2.316 1.00 0.00 H new ATOM 0 HA TYR A 100 2.150 -7.303 0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.050 -8.597 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.855 -9.216 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.005 -9.137 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.009 -9.859 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.777 -10.347 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.779 -11.072 2.263 1.00 0.00 H new ATOM 0 HH TYR A 100 7.550 -11.773 0.318 1.00 0.00 H new ATOM 847 N ARG A 101 0.912 -5.465 2.168 1.00 0.00 N ATOM 848 CA ARG A 101 -0.100 -4.643 2.831 1.00 0.00 C ATOM 849 C ARG A 101 -1.407 -5.429 3.003 1.00 0.00 C ATOM 850 O ARG A 101 -1.647 -6.407 2.290 1.00 0.00 O ATOM 851 CB ARG A 101 -0.301 -3.337 2.038 1.00 0.00 C ATOM 852 CG ARG A 101 -1.720 -3.085 1.552 1.00 0.00 C ATOM 853 CD ARG A 101 -2.165 -4.130 0.533 1.00 0.00 C ATOM 854 NE ARG A 101 -2.188 -3.606 -0.840 1.00 0.00 N ATOM 855 CZ ARG A 101 -1.248 -3.850 -1.753 1.00 0.00 C ATOM 856 NH1 ARG A 101 -0.175 -4.541 -1.440 1.00 0.00 N ATOM 857 NH2 ARG A 101 -1.380 -3.383 -2.975 1.00 0.00 N ATOM 0 H ARG A 101 1.114 -5.179 1.210 1.00 0.00 H new ATOM 0 HA ARG A 101 0.239 -4.378 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.005 -2.500 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.365 -3.349 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.402 -3.093 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.780 -2.093 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.493 -4.987 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.159 -4.490 0.797 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.975 -3.017 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.056 -4.896 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.539 -4.722 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.202 -2.834 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.660 -3.570 -3.673 1.00 0.00 H new ATOM 871 N GLU A 102 -2.243 -5.018 3.960 1.00 0.00 N ATOM 872 CA GLU A 102 -3.501 -5.719 4.223 1.00 0.00 C ATOM 873 C GLU A 102 -4.680 -4.758 4.393 1.00 0.00 C ATOM 874 O GLU A 102 -4.513 -3.624 4.842 1.00 0.00 O ATOM 875 CB GLU A 102 -3.353 -6.571 5.484 1.00 0.00 C ATOM 876 CG GLU A 102 -4.202 -7.836 5.479 1.00 0.00 C ATOM 877 CD GLU A 102 -3.543 -8.982 6.217 1.00 0.00 C ATOM 878 OE1 GLU A 102 -2.306 -9.137 6.105 1.00 0.00 O ATOM 879 OE2 GLU A 102 -4.249 -9.723 6.929 1.00 0.00 O ATOM 0 H GLU A 102 -2.073 -4.211 4.560 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.713 -6.348 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.306 -6.849 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.622 -5.968 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.168 -7.622 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.395 -8.135 4.449 1.00 0.00 H new ATOM 886 N CYS A 103 -5.871 -5.236 4.043 1.00 0.00 N ATOM 887 CA CYS A 103 -7.100 -4.445 4.167 1.00 0.00 C ATOM 888 C CYS A 103 -8.033 -5.056 5.214 1.00 0.00 C ATOM 889 O CYS A 103 -7.892 -6.226 5.568 1.00 0.00 O ATOM 890 CB CYS A 103 -7.827 -4.351 2.821 1.00 0.00 C ATOM 891 SG CYS A 103 -8.952 -2.923 2.691 1.00 0.00 S ATOM 0 H CYS A 103 -6.015 -6.174 3.668 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.818 -3.441 4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.087 -4.293 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.397 -5.266 2.662 1.00 0.00 H new ATOM 896 N LEU A 104 -8.978 -4.255 5.701 1.00 0.00 N ATOM 897 CA LEU A 104 -9.938 -4.703 6.708 1.00 0.00 C ATOM 898 C LEU A 104 -11.265 -5.120 6.078 1.00 0.00 C ATOM 899 O LEU A 104 -11.734 -4.509 5.113 1.00 0.00 O ATOM 900 CB LEU A 104 -10.170 -3.591 7.739 1.00 0.00 C ATOM 901 CG LEU A 104 -9.656 -3.890 9.150 1.00 0.00 C ATOM 902 CD1 LEU A 104 -10.498 -4.969 9.810 1.00 0.00 C ATOM 903 CD2 LEU A 104 -8.192 -4.308 9.113 1.00 0.00 C ATOM 0 H LEU A 104 -9.100 -3.284 5.412 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.518 -5.578 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.690 -2.680 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.239 -3.387 7.795 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.739 -2.978 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.116 -5.167 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.533 -4.633 9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.450 -5.882 9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.847 -4.516 10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.085 -5.204 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.595 -3.503 8.684 1.00 0.00 H new ATOM 915 N GLU A 105 -11.866 -6.159 6.652 1.00 0.00 N ATOM 916 CA GLU A 105 -13.155 -6.684 6.187 1.00 0.00 C ATOM 917 C GLU A 105 -14.202 -5.572 6.101 1.00 0.00 C ATOM 918 O GLU A 105 -15.163 -5.671 5.340 1.00 0.00 O ATOM 919 CB GLU A 105 -13.660 -7.790 7.126 1.00 0.00 C ATOM 920 CG GLU A 105 -12.612 -8.841 7.476 1.00 0.00 C ATOM 921 CD GLU A 105 -11.783 -8.458 8.686 1.00 0.00 C ATOM 922 OE1 GLU A 105 -10.816 -7.686 8.518 1.00 0.00 O ATOM 923 OE2 GLU A 105 -12.107 -8.918 9.795 1.00 0.00 O ATOM 0 H GLU A 105 -11.478 -6.662 7.450 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.001 -7.100 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.021 -7.332 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.513 -8.285 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.107 -9.793 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.953 -8.990 6.621 1.00 0.00 H new ATOM 930 N ASN A 106 -14.003 -4.509 6.882 1.00 0.00 N ATOM 931 CA ASN A 106 -14.929 -3.374 6.887 1.00 0.00 C ATOM 932 C ASN A 106 -14.675 -2.418 5.711 1.00 0.00 C ATOM 933 O ASN A 106 -15.366 -1.406 5.575 1.00 0.00 O ATOM 934 CB ASN A 106 -14.820 -2.610 8.208 1.00 0.00 C ATOM 935 CG ASN A 106 -15.420 -3.370 9.373 1.00 0.00 C ATOM 936 OD1 ASN A 106 -16.616 -3.278 9.638 1.00 0.00 O ATOM 937 ND2 ASN A 106 -14.592 -4.128 10.075 1.00 0.00 N ATOM 0 H ASN A 106 -13.212 -4.410 7.518 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.936 -3.776 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.771 -2.401 8.417 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.323 -1.648 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.941 -4.664 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.605 -4.176 9.821 1.00 0.00 H new ATOM 944 N GLY A 107 -13.682 -2.728 4.871 1.00 0.00 N ATOM 945 CA GLY A 107 -13.366 -1.867 3.737 1.00 0.00 C ATOM 946 C GLY A 107 -12.151 -0.992 3.994 1.00 0.00 C ATOM 947 O GLY A 107 -11.456 -0.595 3.060 1.00 0.00 O ATOM 0 H GLY A 107 -13.094 -3.557 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.187 -2.483 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.225 -1.234 3.514 1.00 0.00 H new ATOM 951 N THR A 108 -11.890 -0.699 5.265 1.00 0.00 N ATOM 952 CA THR A 108 -10.748 0.124 5.653 1.00 0.00 C ATOM 953 C THR A 108 -9.432 -0.605 5.388 1.00 0.00 C ATOM 954 O THR A 108 -9.371 -1.832 5.433 1.00 0.00 O ATOM 955 CB THR A 108 -10.844 0.494 7.139 1.00 0.00 C ATOM 956 OG1 THR A 108 -11.364 -0.586 7.897 1.00 0.00 O ATOM 957 CG2 THR A 108 -11.727 1.692 7.402 1.00 0.00 C ATOM 0 H THR A 108 -12.458 -1.022 6.048 1.00 0.00 H new ATOM 0 HA THR A 108 -10.767 1.033 5.052 1.00 0.00 H new ATOM 0 HB THR A 108 -9.824 0.735 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.415 -0.328 8.841 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.751 1.899 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.331 2.559 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.737 1.483 7.050 1.00 0.00 H new ATOM 965 N TRP A 109 -8.379 0.154 5.120 1.00 0.00 N ATOM 966 CA TRP A 109 -7.065 -0.430 4.864 1.00 0.00 C ATOM 967 C TRP A 109 -6.329 -0.677 6.183 1.00 0.00 C ATOM 968 O TRP A 109 -6.655 -0.071 7.205 1.00 0.00 O ATOM 969 CB TRP A 109 -6.241 0.498 3.964 1.00 0.00 C ATOM 970 CG TRP A 109 -6.325 0.161 2.504 1.00 0.00 C ATOM 971 CD1 TRP A 109 -6.814 0.954 1.508 1.00 0.00 C ATOM 972 CD2 TRP A 109 -5.907 -1.055 1.876 1.00 0.00 C ATOM 973 NE1 TRP A 109 -6.714 0.309 0.298 1.00 0.00 N ATOM 974 CE2 TRP A 109 -6.162 -0.927 0.498 1.00 0.00 C ATOM 975 CE3 TRP A 109 -5.338 -2.236 2.346 1.00 0.00 C ATOM 976 CZ2 TRP A 109 -5.865 -1.938 -0.409 1.00 0.00 C ATOM 977 CZ3 TRP A 109 -5.048 -3.240 1.446 1.00 0.00 C ATOM 978 CH2 TRP A 109 -5.310 -3.085 0.083 1.00 0.00 C ATOM 0 H TRP A 109 -8.406 1.173 5.074 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.199 -1.384 4.355 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.579 1.524 4.110 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.198 0.459 4.277 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.221 1.945 1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.004 0.690 -0.603 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.127 -2.364 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.066 -1.821 -1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.611 -4.162 1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.069 -3.889 -0.596 1.00 0.00 H new ATOM 989 N ALA A 110 -5.335 -1.563 6.161 1.00 0.00 N ATOM 990 CA ALA A 110 -4.558 -1.875 7.354 1.00 0.00 C ATOM 991 C ALA A 110 -3.085 -1.527 7.144 1.00 0.00 C ATOM 992 O ALA A 110 -2.556 -1.654 6.037 1.00 0.00 O ATOM 993 CB ALA A 110 -4.723 -3.345 7.721 1.00 0.00 C ATOM 0 H ALA A 110 -5.050 -2.077 5.327 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.931 -1.271 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.138 -3.565 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.775 -3.556 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.375 -3.967 6.896 1.00 0.00 H new ATOM 999 N SER A 111 -2.421 -1.096 8.212 1.00 0.00 N ATOM 1000 CA SER A 111 -1.006 -0.733 8.142 1.00 0.00 C ATOM 1001 C SER A 111 -0.103 -1.945 8.379 1.00 0.00 C ATOM 1002 O SER A 111 0.958 -1.828 8.993 1.00 0.00 O ATOM 1003 CB SER A 111 -0.691 0.374 9.156 1.00 0.00 C ATOM 1004 OG SER A 111 -1.401 0.178 10.372 1.00 0.00 O ATOM 0 H SER A 111 -2.838 -0.989 9.137 1.00 0.00 H new ATOM 0 HA SER A 111 -0.806 -0.362 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.380 0.392 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.952 1.344 8.732 1.00 0.00 H new ATOM 0 HG SER A 111 -1.179 0.897 11.000 1.00 0.00 H new ATOM 1010 N ARG A 112 -0.525 -3.106 7.876 1.00 0.00 N ATOM 1011 CA ARG A 112 0.252 -4.338 8.019 1.00 0.00 C ATOM 1012 C ARG A 112 1.554 -4.240 7.228 1.00 0.00 C ATOM 1013 O ARG A 112 2.629 -4.066 7.802 1.00 0.00 O ATOM 1014 CB ARG A 112 -0.575 -5.551 7.559 1.00 0.00 C ATOM 1015 CG ARG A 112 0.256 -6.780 7.194 1.00 0.00 C ATOM 1016 CD ARG A 112 0.222 -7.829 8.293 1.00 0.00 C ATOM 1017 NE ARG A 112 -0.984 -8.659 8.218 1.00 0.00 N ATOM 1018 CZ ARG A 112 -1.546 -9.261 9.257 1.00 0.00 C ATOM 1019 NH1 ARG A 112 -0.995 -9.186 10.452 1.00 0.00 N ATOM 1020 NH2 ARG A 112 -2.658 -9.955 9.097 1.00 0.00 N ATOM 0 H ARG A 112 -1.401 -3.219 7.366 1.00 0.00 H new ATOM 0 HA ARG A 112 0.500 -4.473 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.272 -5.822 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.172 -5.261 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.121 -7.212 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.287 -6.480 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.105 -8.464 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.265 -7.338 9.265 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.420 -8.782 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.130 -8.662 10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.434 -9.652 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.085 -10.028 8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.090 -10.418 9.897 1.00 0.00 H new ATOM 1034 N VAL A 113 1.436 -4.357 5.906 1.00 0.00 N ATOM 1035 CA VAL A 113 2.587 -4.289 5.001 1.00 0.00 C ATOM 1036 C VAL A 113 3.737 -5.188 5.503 1.00 0.00 C ATOM 1037 O VAL A 113 3.503 -6.120 6.275 1.00 0.00 O ATOM 1038 CB VAL A 113 3.033 -2.811 4.808 1.00 0.00 C ATOM 1039 CG1 VAL A 113 3.964 -2.338 5.920 1.00 0.00 C ATOM 1040 CG2 VAL A 113 3.676 -2.608 3.446 1.00 0.00 C ATOM 0 H VAL A 113 0.545 -4.501 5.432 1.00 0.00 H new ATOM 0 HA VAL A 113 2.293 -4.672 4.024 1.00 0.00 H new ATOM 0 HB VAL A 113 2.132 -2.200 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.247 -1.301 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.452 -2.414 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.858 -2.961 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.978 -1.566 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.552 -3.251 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.960 -2.861 2.664 1.00 0.00 H new ATOM 1050 N ASN A 114 4.968 -4.925 5.072 1.00 0.00 N ATOM 1051 CA ASN A 114 6.105 -5.733 5.509 1.00 0.00 C ATOM 1052 C ASN A 114 7.056 -4.914 6.385 1.00 0.00 C ATOM 1053 O ASN A 114 7.028 -5.026 7.611 1.00 0.00 O ATOM 1054 CB ASN A 114 6.844 -6.321 4.299 1.00 0.00 C ATOM 1055 CG ASN A 114 6.777 -7.833 4.255 1.00 0.00 C ATOM 1056 OD1 ASN A 114 5.876 -8.443 4.821 1.00 0.00 O ATOM 1057 ND2 ASN A 114 7.731 -8.450 3.575 1.00 0.00 N ATOM 0 H ASN A 114 5.203 -4.169 4.429 1.00 0.00 H new ATOM 0 HA ASN A 114 5.725 -6.558 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.415 -5.915 3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.888 -6.008 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.733 -9.468 3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.464 -7.907 3.118 1.00 0.00 H new ATOM 1064 N TYR A 115 7.897 -4.088 5.750 1.00 0.00 N ATOM 1065 CA TYR A 115 8.860 -3.238 6.458 1.00 0.00 C ATOM 1066 C TYR A 115 9.909 -4.054 7.229 1.00 0.00 C ATOM 1067 O TYR A 115 11.110 -3.865 7.031 1.00 0.00 O ATOM 1068 CB TYR A 115 8.125 -2.280 7.401 1.00 0.00 C ATOM 1069 CG TYR A 115 7.779 -0.957 6.756 1.00 0.00 C ATOM 1070 CD1 TYR A 115 7.256 -0.908 5.471 1.00 0.00 C ATOM 1071 CD2 TYR A 115 7.983 0.241 7.428 1.00 0.00 C ATOM 1072 CE1 TYR A 115 6.944 0.298 4.874 1.00 0.00 C ATOM 1073 CE2 TYR A 115 7.675 1.452 6.835 1.00 0.00 C ATOM 1074 CZ TYR A 115 7.155 1.472 5.559 1.00 0.00 C ATOM 1075 OH TYR A 115 6.851 2.673 4.965 1.00 0.00 O ATOM 0 H TYR A 115 7.929 -3.991 4.735 1.00 0.00 H new ATOM 0 HA TYR A 115 9.398 -2.662 5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.209 -2.757 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.745 -2.098 8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.090 -1.828 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.388 0.227 8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.536 0.319 3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.841 2.376 7.369 1.00 0.00 H new ATOM 0 HH TYR A 115 5.982 2.605 4.516 1.00 0.00 H new ATOM 1085 N SER A 116 9.446 -4.953 8.104 1.00 0.00 N ATOM 1086 CA SER A 116 10.323 -5.809 8.922 1.00 0.00 C ATOM 1087 C SER A 116 11.570 -6.289 8.166 1.00 0.00 C ATOM 1088 O SER A 116 12.640 -6.425 8.757 1.00 0.00 O ATOM 1089 CB SER A 116 9.538 -7.019 9.436 1.00 0.00 C ATOM 1090 OG SER A 116 9.201 -6.864 10.805 1.00 0.00 O ATOM 0 H SER A 116 8.452 -5.111 8.268 1.00 0.00 H new ATOM 0 HA SER A 116 10.669 -5.198 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.630 -7.144 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.131 -7.924 9.304 1.00 0.00 H new ATOM 0 HG SER A 116 8.699 -7.649 11.109 1.00 0.00 H new ATOM 1096 N HIS A 117 11.435 -6.558 6.870 1.00 0.00 N ATOM 1097 CA HIS A 117 12.570 -7.028 6.071 1.00 0.00 C ATOM 1098 C HIS A 117 12.908 -6.059 4.933 1.00 0.00 C ATOM 1099 O HIS A 117 13.486 -6.462 3.919 1.00 0.00 O ATOM 1100 CB HIS A 117 12.278 -8.428 5.524 1.00 0.00 C ATOM 1101 CG HIS A 117 12.679 -9.531 6.454 1.00 0.00 C ATOM 1102 ND1 HIS A 117 13.146 -9.311 7.736 1.00 0.00 N ATOM 1103 CD2 HIS A 117 12.679 -10.873 6.283 1.00 0.00 C ATOM 1104 CE1 HIS A 117 13.418 -10.470 8.310 1.00 0.00 C ATOM 1105 NE2 HIS A 117 13.142 -11.433 7.448 1.00 0.00 N ATOM 0 H HIS A 117 10.562 -6.461 6.352 1.00 0.00 H new ATOM 0 HA HIS A 117 13.443 -7.073 6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.212 -8.511 5.313 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.801 -8.555 4.576 1.00 0.00 H new ATOM 0 HD1 HIS A 117 13.263 -8.396 8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.372 -11.405 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 117 13.800 -10.607 9.311 1.00 0.00 H new ATOM 1114 N CYS A 118 12.567 -4.781 5.113 1.00 0.00 N ATOM 1115 CA CYS A 118 12.850 -3.756 4.109 1.00 0.00 C ATOM 1116 C CYS A 118 14.136 -3.003 4.452 1.00 0.00 C ATOM 1117 O CYS A 118 14.095 -1.860 4.907 1.00 0.00 O ATOM 1118 CB CYS A 118 11.677 -2.777 3.999 1.00 0.00 C ATOM 1119 SG CYS A 118 11.514 -1.995 2.361 1.00 0.00 S ATOM 0 H CYS A 118 12.094 -4.432 5.947 1.00 0.00 H new ATOM 0 HA CYS A 118 12.986 -4.250 3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.753 -3.306 4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.796 -1.998 4.752 1.00 0.00 H new ATOM 1124 N GLU A 119 15.273 -3.662 4.240 1.00 0.00 N ATOM 1125 CA GLU A 119 16.582 -3.072 4.529 1.00 0.00 C ATOM 1126 C GLU A 119 16.841 -1.825 3.679 1.00 0.00 C ATOM 1127 O GLU A 119 16.639 -1.841 2.462 1.00 0.00 O ATOM 1128 CB GLU A 119 17.693 -4.094 4.270 1.00 0.00 C ATOM 1129 CG GLU A 119 17.918 -5.091 5.408 1.00 0.00 C ATOM 1130 CD GLU A 119 16.675 -5.363 6.237 1.00 0.00 C ATOM 1131 OE1 GLU A 119 15.854 -6.203 5.813 1.00 0.00 O ATOM 1132 OE2 GLU A 119 16.529 -4.741 7.309 1.00 0.00 O ATOM 0 H GLU A 119 15.316 -4.610 3.867 1.00 0.00 H new ATOM 0 HA GLU A 119 16.581 -2.781 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.455 -4.647 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.624 -3.559 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.278 -6.031 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.704 -4.712 6.061 1.00 0.00 H new ATOM 1139 N PRO A 120 17.304 -0.727 4.306 1.00 0.00 N ATOM 1140 CA PRO A 120 17.602 0.517 3.601 1.00 0.00 C ATOM 1141 C PRO A 120 19.018 0.523 3.005 1.00 0.00 C ATOM 1142 O PRO A 120 19.703 -0.505 2.998 1.00 0.00 O ATOM 1143 CB PRO A 120 17.460 1.560 4.707 1.00 0.00 C ATOM 1144 CG PRO A 120 17.896 0.855 5.947 1.00 0.00 C ATOM 1145 CD PRO A 120 17.582 -0.612 5.752 1.00 0.00 C ATOM 0 HA PRO A 120 16.949 0.689 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.080 2.434 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.432 1.911 4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.962 1.002 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.374 1.249 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.420 -1.243 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.724 -0.920 6.349 1.00 0.00 H new ATOM 1153 N ILE A 121 19.443 1.681 2.497 1.00 0.00 N ATOM 1154 CA ILE A 121 20.766 1.826 1.890 1.00 0.00 C ATOM 1155 C ILE A 121 21.307 3.251 2.072 1.00 0.00 C ATOM 1156 O ILE A 121 22.472 3.389 2.499 1.00 0.00 O ATOM 1157 CB ILE A 121 20.722 1.478 0.386 1.00 0.00 C ATOM 1158 CG1 ILE A 121 20.392 -0.008 0.197 1.00 0.00 C ATOM 1159 CG2 ILE A 121 22.041 1.831 -0.289 1.00 0.00 C ATOM 1160 CD1 ILE A 121 21.040 -0.638 -1.017 1.00 0.00 C ATOM 0 H ILE A 121 18.886 2.536 2.494 1.00 0.00 H new ATOM 0 HA ILE A 121 21.435 1.130 2.397 1.00 0.00 H new ATOM 0 HB ILE A 121 19.937 2.069 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.705 -0.554 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.311 -0.121 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.987 1.577 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.231 2.899 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 121 22.850 1.270 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.756 -1.689 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.708 -0.120 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 121 22.124 -0.560 -0.933 1.00 0.00 H new TER 1172 ILE A 121