USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 THR OG1 : rot 170:sc= -4.59! USER MOD Single : A 1 LEU N :NH3+ -128:sc= -3.27! (180deg=-6.01!) USER MOD Single : A 4 ASN : amide:sc= -6.34! C(o=-6.3!,f=-8.7!) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0506) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= 0.203 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.18 F(o=-4.2!,f=-1.2) USER MOD Single : A 22 TYR OH : rot -150:sc= -1.81! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 162:sc= -0.168 (180deg=-0.921) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 63:sc= 0.0491 USER MOD Single : A 46 SER OG : rot 180:sc= -0.172 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -90:sc= 0.169 USER MOD Single : A 55 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.96! C(o=-3!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.053 6.424 1.445 1.00 0.00 N ATOM 2 CA LEU A 1 11.220 6.167 0.235 1.00 0.00 C ATOM 3 C LEU A 1 11.222 4.666 -0.075 1.00 0.00 C ATOM 4 O LEU A 1 11.307 4.259 -1.219 1.00 0.00 O ATOM 5 CB LEU A 1 11.804 6.931 -0.957 1.00 0.00 C ATOM 6 CG LEU A 1 11.371 8.398 -0.897 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.848 8.481 -0.779 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.013 9.072 0.318 1.00 0.00 C ATOM 0 H1 LEU A 1 11.505 6.980 2.132 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.329 5.518 1.875 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.906 6.953 1.173 1.00 0.00 H new ATOM 0 HA LEU A 1 10.199 6.501 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.892 6.863 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.466 6.481 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 1 11.692 8.905 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.543 9.527 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.389 8.004 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.525 7.972 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.704 10.117 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.694 8.563 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.098 9.018 0.233 1.00 0.00 H new ATOM 22 N LYS A 2 11.134 3.839 0.933 1.00 0.00 N ATOM 23 CA LYS A 2 11.138 2.369 0.687 1.00 0.00 C ATOM 24 C LYS A 2 9.947 1.711 1.386 1.00 0.00 C ATOM 25 O LYS A 2 9.440 2.201 2.375 1.00 0.00 O ATOM 26 CB LYS A 2 12.434 1.765 1.232 1.00 0.00 C ATOM 27 CG LYS A 2 13.624 2.291 0.430 1.00 0.00 C ATOM 28 CD LYS A 2 14.595 3.012 1.367 1.00 0.00 C ATOM 29 CE LYS A 2 16.007 2.461 1.157 1.00 0.00 C ATOM 30 NZ LYS A 2 16.775 3.381 0.270 1.00 0.00 N ATOM 0 H LYS A 2 11.060 4.117 1.912 1.00 0.00 H new ATOM 0 HA LYS A 2 11.066 2.192 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.551 2.021 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.394 0.677 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.131 1.466 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.279 2.973 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.578 4.084 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.289 2.872 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.514 2.357 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.958 1.467 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.734 3.006 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.294 3.459 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.833 4.321 0.711 1.00 0.00 H new ATOM 44 N CYS A 3 9.510 0.592 0.877 1.00 0.00 N ATOM 45 CA CYS A 3 8.361 -0.129 1.498 1.00 0.00 C ATOM 46 C CYS A 3 8.571 -1.633 1.314 1.00 0.00 C ATOM 47 O CYS A 3 9.675 -2.090 1.086 1.00 0.00 O ATOM 48 CB CYS A 3 7.026 0.279 0.849 1.00 0.00 C ATOM 49 SG CYS A 3 7.267 1.595 -0.375 1.00 0.00 S ATOM 0 H CYS A 3 9.903 0.142 0.050 1.00 0.00 H new ATOM 0 HA CYS A 3 8.317 0.130 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.572 -0.588 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.333 0.617 1.619 1.00 0.00 H new ATOM 54 N ASN A 4 7.528 -2.411 1.415 1.00 0.00 N ATOM 55 CA ASN A 4 7.686 -3.883 1.251 1.00 0.00 C ATOM 56 C ASN A 4 6.572 -4.432 0.357 1.00 0.00 C ATOM 57 O ASN A 4 5.406 -4.161 0.563 1.00 0.00 O ATOM 58 CB ASN A 4 7.614 -4.556 2.625 1.00 0.00 C ATOM 59 CG ASN A 4 7.670 -6.077 2.458 1.00 0.00 C ATOM 60 OD1 ASN A 4 6.737 -6.681 1.967 1.00 0.00 O ATOM 61 ND2 ASN A 4 8.733 -6.726 2.850 1.00 0.00 N ATOM 0 H ASN A 4 6.577 -2.092 1.603 1.00 0.00 H new ATOM 0 HA ASN A 4 8.651 -4.091 0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.441 -4.218 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.693 -4.270 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.780 -7.739 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.517 -6.220 3.262 1.00 0.00 H new ATOM 68 N LYS A 5 6.923 -5.210 -0.630 1.00 0.00 N ATOM 69 CA LYS A 5 5.891 -5.785 -1.531 1.00 0.00 C ATOM 70 C LYS A 5 5.654 -7.247 -1.150 1.00 0.00 C ATOM 71 O LYS A 5 6.018 -7.683 -0.076 1.00 0.00 O ATOM 72 CB LYS A 5 6.373 -5.704 -2.981 1.00 0.00 C ATOM 73 CG LYS A 5 5.273 -5.094 -3.851 1.00 0.00 C ATOM 74 CD LYS A 5 5.631 -5.276 -5.326 1.00 0.00 C ATOM 75 CE LYS A 5 4.615 -4.531 -6.192 1.00 0.00 C ATOM 76 NZ LYS A 5 4.937 -3.077 -6.196 1.00 0.00 N ATOM 0 H LYS A 5 7.884 -5.472 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 5 4.962 -5.224 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.277 -5.098 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.631 -6.698 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.317 -5.572 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.158 -4.035 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.635 -4.897 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.636 -6.335 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.633 -4.921 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.608 -4.690 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.059 -2.527 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.564 -2.858 -5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.414 -2.829 -7.086 1.00 0.00 H new ATOM 90 N LEU A 6 5.047 -8.010 -2.016 1.00 0.00 N ATOM 91 CA LEU A 6 4.794 -9.441 -1.689 1.00 0.00 C ATOM 92 C LEU A 6 4.710 -10.262 -2.979 1.00 0.00 C ATOM 93 O LEU A 6 3.764 -10.992 -3.199 1.00 0.00 O ATOM 94 CB LEU A 6 3.477 -9.560 -0.920 1.00 0.00 C ATOM 95 CG LEU A 6 3.772 -9.885 0.545 1.00 0.00 C ATOM 96 CD1 LEU A 6 3.199 -8.784 1.439 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.126 -11.223 0.908 1.00 0.00 C ATOM 0 H LEU A 6 4.717 -7.706 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 6 5.611 -9.821 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.916 -8.628 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.856 -10.341 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 6 4.850 -9.948 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.410 -9.016 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.658 -7.830 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.121 -8.720 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.335 -11.457 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.048 -11.159 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.534 -12.008 0.272 1.00 0.00 H new ATOM 109 N VAL A 7 5.698 -10.155 -3.829 1.00 0.00 N ATOM 110 CA VAL A 7 5.680 -10.940 -5.101 1.00 0.00 C ATOM 111 C VAL A 7 7.050 -10.849 -5.790 1.00 0.00 C ATOM 112 O VAL A 7 7.691 -11.860 -6.001 1.00 0.00 O ATOM 113 CB VAL A 7 4.588 -10.431 -6.059 1.00 0.00 C ATOM 114 CG1 VAL A 7 3.640 -11.582 -6.400 1.00 0.00 C ATOM 115 CG2 VAL A 7 3.786 -9.294 -5.412 1.00 0.00 C ATOM 0 H VAL A 7 6.516 -9.559 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 7 5.459 -11.978 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 7 5.065 -10.054 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.865 -11.226 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.200 -12.385 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.179 -11.956 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.020 -8.949 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.313 -9.656 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.455 -8.468 -5.171 1.00 0.00 H new ATOM 125 N PRO A 8 7.465 -9.648 -6.126 1.00 0.00 N ATOM 126 CA PRO A 8 8.760 -9.426 -6.796 1.00 0.00 C ATOM 127 C PRO A 8 9.905 -9.494 -5.783 1.00 0.00 C ATOM 128 O PRO A 8 11.001 -9.912 -6.097 1.00 0.00 O ATOM 129 CB PRO A 8 8.632 -8.015 -7.372 1.00 0.00 C ATOM 130 CG PRO A 8 7.541 -7.302 -6.540 1.00 0.00 C ATOM 131 CD PRO A 8 6.698 -8.407 -5.877 1.00 0.00 C ATOM 0 HA PRO A 8 8.980 -10.175 -7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.580 -7.482 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.356 -8.049 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.990 -6.654 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.920 -6.670 -7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.571 -8.225 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.700 -8.462 -6.312 1.00 0.00 H new ATOM 139 N LEU A 9 9.659 -9.083 -4.570 1.00 0.00 N ATOM 140 CA LEU A 9 10.732 -9.122 -3.538 1.00 0.00 C ATOM 141 C LEU A 9 10.123 -8.839 -2.162 1.00 0.00 C ATOM 142 O LEU A 9 8.932 -8.974 -1.961 1.00 0.00 O ATOM 143 CB LEU A 9 11.786 -8.059 -3.863 1.00 0.00 C ATOM 144 CG LEU A 9 13.100 -8.743 -4.246 1.00 0.00 C ATOM 145 CD1 LEU A 9 13.445 -8.416 -5.700 1.00 0.00 C ATOM 146 CD2 LEU A 9 14.221 -8.239 -3.335 1.00 0.00 C ATOM 0 H LEU A 9 8.761 -8.722 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 9 11.200 -10.106 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.440 -7.427 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.940 -7.409 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 9 12.992 -9.822 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.381 -8.904 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.648 -8.773 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.552 -7.337 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.158 -8.726 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.326 -7.160 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.979 -8.471 -2.298 1.00 0.00 H new ATOM 158 N PHE A 10 10.929 -8.448 -1.213 1.00 0.00 N ATOM 159 CA PHE A 10 10.395 -8.156 0.146 1.00 0.00 C ATOM 160 C PHE A 10 10.407 -6.644 0.378 1.00 0.00 C ATOM 161 O PHE A 10 9.377 -6.026 0.541 1.00 0.00 O ATOM 162 CB PHE A 10 11.269 -8.845 1.196 1.00 0.00 C ATOM 163 CG PHE A 10 11.054 -10.340 1.129 1.00 0.00 C ATOM 164 CD1 PHE A 10 9.869 -10.899 1.624 1.00 0.00 C ATOM 165 CD2 PHE A 10 12.037 -11.166 0.570 1.00 0.00 C ATOM 166 CE1 PHE A 10 9.668 -12.284 1.561 1.00 0.00 C ATOM 167 CE2 PHE A 10 11.836 -12.551 0.508 1.00 0.00 C ATOM 168 CZ PHE A 10 10.651 -13.109 1.003 1.00 0.00 C ATOM 0 H PHE A 10 11.935 -8.318 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 10 9.374 -8.528 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.319 -8.610 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.020 -8.475 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.110 -10.262 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.950 -10.735 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.754 -12.715 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.595 -13.188 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.496 -14.177 0.954 1.00 0.00 H new ATOM 178 N TYR A 11 11.566 -6.044 0.389 1.00 0.00 N ATOM 179 CA TYR A 11 11.645 -4.569 0.605 1.00 0.00 C ATOM 180 C TYR A 11 12.225 -3.908 -0.648 1.00 0.00 C ATOM 181 O TYR A 11 13.161 -4.404 -1.242 1.00 0.00 O ATOM 182 CB TYR A 11 12.550 -4.266 1.806 1.00 0.00 C ATOM 183 CG TYR A 11 13.545 -5.388 1.996 1.00 0.00 C ATOM 184 CD1 TYR A 11 13.147 -6.574 2.626 1.00 0.00 C ATOM 185 CD2 TYR A 11 14.862 -5.243 1.542 1.00 0.00 C ATOM 186 CE1 TYR A 11 14.067 -7.615 2.802 1.00 0.00 C ATOM 187 CE2 TYR A 11 15.781 -6.285 1.719 1.00 0.00 C ATOM 188 CZ TYR A 11 15.383 -7.471 2.349 1.00 0.00 C ATOM 189 OH TYR A 11 16.289 -8.497 2.522 1.00 0.00 O ATOM 0 H TYR A 11 12.463 -6.511 0.258 1.00 0.00 H new ATOM 0 HA TYR A 11 10.647 -4.178 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.076 -3.325 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.947 -4.147 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.131 -6.686 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.169 -4.329 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.761 -8.530 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.797 -6.174 1.370 1.00 0.00 H new ATOM 0 HH TYR A 11 17.156 -8.234 2.150 1.00 0.00 H new ATOM 199 N LYS A 12 11.680 -2.794 -1.059 1.00 0.00 N ATOM 200 CA LYS A 12 12.212 -2.118 -2.276 1.00 0.00 C ATOM 201 C LYS A 12 12.073 -0.600 -2.135 1.00 0.00 C ATOM 202 O LYS A 12 11.635 -0.097 -1.120 1.00 0.00 O ATOM 203 CB LYS A 12 11.431 -2.592 -3.505 1.00 0.00 C ATOM 204 CG LYS A 12 9.970 -2.155 -3.385 1.00 0.00 C ATOM 205 CD LYS A 12 9.621 -1.218 -4.543 1.00 0.00 C ATOM 206 CE LYS A 12 9.871 -1.933 -5.873 1.00 0.00 C ATOM 207 NZ LYS A 12 10.761 -1.095 -6.726 1.00 0.00 N ATOM 0 H LYS A 12 10.894 -2.326 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 12 13.266 -2.369 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.872 -2.177 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.491 -3.677 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.316 -3.027 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.807 -1.650 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.578 -0.911 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.225 -0.312 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.330 -2.906 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.926 -2.115 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.319 -0.956 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.909 -0.171 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.677 -1.572 -6.846 1.00 0.00 H new ATOM 221 N THR A 13 12.447 0.132 -3.149 1.00 0.00 N ATOM 222 CA THR A 13 12.344 1.618 -3.085 1.00 0.00 C ATOM 223 C THR A 13 11.451 2.108 -4.222 1.00 0.00 C ATOM 224 O THR A 13 11.481 1.582 -5.317 1.00 0.00 O ATOM 225 CB THR A 13 13.745 2.234 -3.237 1.00 0.00 C ATOM 226 OG1 THR A 13 14.433 2.147 -1.999 1.00 0.00 O ATOM 227 CG2 THR A 13 13.643 3.708 -3.660 1.00 0.00 C ATOM 0 H THR A 13 12.821 -0.237 -4.023 1.00 0.00 H new ATOM 0 HA THR A 13 11.917 1.915 -2.127 1.00 0.00 H new ATOM 0 HB THR A 13 14.289 1.685 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.374 2.388 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.644 4.127 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.121 3.777 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.092 4.266 -2.903 1.00 0.00 H new ATOM 235 N CYS A 14 10.677 3.128 -3.984 1.00 0.00 N ATOM 236 CA CYS A 14 9.812 3.661 -5.067 1.00 0.00 C ATOM 237 C CYS A 14 10.219 5.107 -5.361 1.00 0.00 C ATOM 238 O CYS A 14 9.531 6.032 -4.975 1.00 0.00 O ATOM 239 CB CYS A 14 8.344 3.618 -4.639 1.00 0.00 C ATOM 240 SG CYS A 14 8.178 4.229 -2.944 1.00 0.00 S ATOM 0 H CYS A 14 10.607 3.613 -3.090 1.00 0.00 H new ATOM 0 HA CYS A 14 9.934 3.050 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.741 4.225 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.967 2.598 -4.706 1.00 0.00 H new ATOM 245 N PRO A 15 11.328 5.259 -6.044 1.00 0.00 N ATOM 246 CA PRO A 15 11.851 6.583 -6.412 1.00 0.00 C ATOM 247 C PRO A 15 11.025 7.134 -7.565 1.00 0.00 C ATOM 248 O PRO A 15 10.232 8.041 -7.403 1.00 0.00 O ATOM 249 CB PRO A 15 13.291 6.298 -6.845 1.00 0.00 C ATOM 250 CG PRO A 15 13.338 4.803 -7.236 1.00 0.00 C ATOM 251 CD PRO A 15 12.151 4.128 -6.522 1.00 0.00 C ATOM 0 HA PRO A 15 11.808 7.319 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.576 6.929 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.990 6.511 -6.036 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.261 4.682 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.282 4.351 -6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.590 3.486 -7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.487 3.502 -5.695 1.00 0.00 H new ATOM 259 N ALA A 16 11.176 6.563 -8.723 1.00 0.00 N ATOM 260 CA ALA A 16 10.370 7.019 -9.879 1.00 0.00 C ATOM 261 C ALA A 16 8.935 6.526 -9.678 1.00 0.00 C ATOM 262 O ALA A 16 8.045 6.840 -10.443 1.00 0.00 O ATOM 263 CB ALA A 16 10.942 6.436 -11.172 1.00 0.00 C ATOM 0 H ALA A 16 11.824 5.800 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 16 10.391 8.106 -9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.345 6.775 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.972 6.770 -11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.917 5.347 -11.123 1.00 0.00 H new ATOM 269 N GLY A 17 8.702 5.752 -8.642 1.00 0.00 N ATOM 270 CA GLY A 17 7.326 5.244 -8.387 1.00 0.00 C ATOM 271 C GLY A 17 6.468 6.378 -7.828 1.00 0.00 C ATOM 272 O GLY A 17 5.361 6.597 -8.269 1.00 0.00 O ATOM 0 H GLY A 17 9.407 5.454 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.889 4.862 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.357 4.413 -7.682 1.00 0.00 H new ATOM 276 N LYS A 18 6.984 7.098 -6.864 1.00 0.00 N ATOM 277 CA LYS A 18 6.225 8.234 -6.256 1.00 0.00 C ATOM 278 C LYS A 18 6.927 8.651 -4.953 1.00 0.00 C ATOM 279 O LYS A 18 8.131 8.530 -4.841 1.00 0.00 O ATOM 280 CB LYS A 18 4.771 7.822 -6.003 1.00 0.00 C ATOM 281 CG LYS A 18 3.839 8.788 -6.755 1.00 0.00 C ATOM 282 CD LYS A 18 4.187 8.819 -8.247 1.00 0.00 C ATOM 283 CE LYS A 18 3.606 10.083 -8.882 1.00 0.00 C ATOM 284 NZ LYS A 18 2.905 9.723 -10.146 1.00 0.00 N ATOM 0 H LYS A 18 7.911 6.945 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 18 6.208 9.085 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.605 6.799 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.554 7.844 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.802 8.478 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.928 9.790 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.269 8.797 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.788 7.934 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.912 10.564 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.401 10.800 -9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.509 10.581 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.579 9.282 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.136 9.054 -9.938 1.00 0.00 H new ATOM 298 N ASN A 19 6.222 9.166 -3.978 1.00 0.00 N ATOM 299 CA ASN A 19 6.926 9.601 -2.729 1.00 0.00 C ATOM 300 C ASN A 19 6.350 8.916 -1.480 1.00 0.00 C ATOM 301 O ASN A 19 6.886 9.055 -0.399 1.00 0.00 O ATOM 302 CB ASN A 19 6.810 11.125 -2.561 1.00 0.00 C ATOM 303 CG ASN A 19 5.798 11.701 -3.558 1.00 0.00 C ATOM 304 OD1 ASN A 19 4.557 11.864 -3.189 1.00 0.00 O flip ATOM 305 ND2 ASN A 19 6.142 12.008 -4.682 1.00 0.00 N flip ATOM 0 H ASN A 19 5.211 9.303 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 19 7.972 9.311 -2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.501 11.362 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.784 11.589 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.112 11.881 -4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.461 12.393 -5.337 1.00 0.00 H new ATOM 312 N LEU A 20 5.274 8.187 -1.594 1.00 0.00 N ATOM 313 CA LEU A 20 4.711 7.528 -0.376 1.00 0.00 C ATOM 314 C LEU A 20 4.404 6.056 -0.662 1.00 0.00 C ATOM 315 O LEU A 20 4.200 5.663 -1.793 1.00 0.00 O ATOM 316 CB LEU A 20 3.422 8.240 0.042 1.00 0.00 C ATOM 317 CG LEU A 20 3.762 9.444 0.919 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.364 10.553 0.055 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.487 9.959 1.588 1.00 0.00 C ATOM 0 H LEU A 20 4.765 8.019 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 20 5.445 7.589 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.871 8.565 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.775 7.552 0.586 1.00 0.00 H new ATOM 0 HG LEU A 20 4.482 9.146 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.606 11.411 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.271 10.187 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.644 10.852 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.726 10.818 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.769 10.256 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.055 9.170 2.204 1.00 0.00 H new ATOM 331 N CYS A 21 4.358 5.240 0.360 1.00 0.00 N ATOM 332 CA CYS A 21 4.051 3.797 0.151 1.00 0.00 C ATOM 333 C CYS A 21 2.584 3.548 0.491 1.00 0.00 C ATOM 334 O CYS A 21 2.100 3.959 1.524 1.00 0.00 O ATOM 335 CB CYS A 21 4.957 2.944 1.038 1.00 0.00 C ATOM 336 SG CYS A 21 6.686 3.264 0.603 1.00 0.00 S ATOM 0 H CYS A 21 4.520 5.513 1.329 1.00 0.00 H new ATOM 0 HA CYS A 21 4.230 3.525 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.784 3.179 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.726 1.887 0.906 1.00 0.00 H new ATOM 341 N TYR A 22 1.856 2.919 -0.390 1.00 0.00 N ATOM 342 CA TYR A 22 0.410 2.705 -0.128 1.00 0.00 C ATOM 343 C TYR A 22 0.052 1.225 -0.060 1.00 0.00 C ATOM 344 O TYR A 22 0.795 0.360 -0.480 1.00 0.00 O ATOM 345 CB TYR A 22 -0.384 3.362 -1.250 1.00 0.00 C ATOM 346 CG TYR A 22 -0.062 4.833 -1.276 1.00 0.00 C ATOM 347 CD1 TYR A 22 1.250 5.268 -1.526 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.072 5.767 -1.040 1.00 0.00 C ATOM 349 CE1 TYR A 22 1.540 6.635 -1.538 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.777 7.131 -1.056 1.00 0.00 C ATOM 351 CZ TYR A 22 0.527 7.567 -1.304 1.00 0.00 C ATOM 352 OH TYR A 22 0.811 8.916 -1.317 1.00 0.00 O ATOM 0 H TYR A 22 2.200 2.547 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 22 0.168 3.146 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.134 2.904 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.452 3.212 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.033 4.547 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.081 5.434 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.549 6.971 -1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.560 7.853 -0.876 1.00 0.00 H new ATOM 0 HH TYR A 22 0.202 9.384 -0.709 1.00 0.00 H new ATOM 362 N LYS A 23 -1.111 0.950 0.461 1.00 0.00 N ATOM 363 CA LYS A 23 -1.595 -0.450 0.571 1.00 0.00 C ATOM 364 C LYS A 23 -3.069 -0.474 0.168 1.00 0.00 C ATOM 365 O LYS A 23 -3.751 0.530 0.224 1.00 0.00 O ATOM 366 CB LYS A 23 -1.451 -0.934 2.016 1.00 0.00 C ATOM 367 CG LYS A 23 -1.456 -2.463 2.049 1.00 0.00 C ATOM 368 CD LYS A 23 -2.089 -2.942 3.357 1.00 0.00 C ATOM 369 CE LYS A 23 -1.057 -3.732 4.162 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.245 -2.790 4.984 1.00 0.00 N ATOM 0 H LYS A 23 -1.757 1.652 0.822 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.012 -1.104 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.524 -0.554 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.268 -0.545 2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.014 -2.854 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.438 -2.843 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.443 -2.089 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.957 -3.566 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.558 -4.455 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.410 -4.297 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.458 -3.325 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.243 -2.116 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.869 -2.270 5.634 1.00 0.00 H new ATOM 384 N MET A 24 -3.570 -1.604 -0.235 1.00 0.00 N ATOM 385 CA MET A 24 -4.997 -1.681 -0.639 1.00 0.00 C ATOM 386 C MET A 24 -5.586 -2.998 -0.141 1.00 0.00 C ATOM 387 O MET A 24 -5.168 -4.072 -0.542 1.00 0.00 O ATOM 388 CB MET A 24 -5.103 -1.605 -2.165 1.00 0.00 C ATOM 389 CG MET A 24 -4.872 -0.162 -2.621 1.00 0.00 C ATOM 390 SD MET A 24 -5.931 0.201 -4.044 1.00 0.00 S ATOM 391 CE MET A 24 -7.044 1.360 -3.211 1.00 0.00 C ATOM 0 H MET A 24 -3.052 -2.480 -0.302 1.00 0.00 H new ATOM 0 HA MET A 24 -5.550 -0.849 -0.204 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.367 -2.265 -2.625 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.086 -1.947 -2.490 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.092 0.527 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.825 -0.017 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.577 1.952 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.762 0.805 -2.607 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.465 2.022 -2.568 1.00 0.00 H new ATOM 401 N PHE A 25 -6.544 -2.917 0.744 1.00 0.00 N ATOM 402 CA PHE A 25 -7.167 -4.155 1.294 1.00 0.00 C ATOM 403 C PHE A 25 -8.689 -3.985 1.360 1.00 0.00 C ATOM 404 O PHE A 25 -9.200 -2.883 1.400 1.00 0.00 O ATOM 405 CB PHE A 25 -6.628 -4.398 2.704 1.00 0.00 C ATOM 406 CG PHE A 25 -7.062 -3.266 3.600 1.00 0.00 C ATOM 407 CD1 PHE A 25 -6.378 -2.047 3.559 1.00 0.00 C ATOM 408 CD2 PHE A 25 -8.147 -3.433 4.467 1.00 0.00 C ATOM 409 CE1 PHE A 25 -6.777 -0.993 4.387 1.00 0.00 C ATOM 410 CE2 PHE A 25 -8.547 -2.379 5.296 1.00 0.00 C ATOM 411 CZ PHE A 25 -7.862 -1.158 5.256 1.00 0.00 C ATOM 0 H PHE A 25 -6.923 -2.044 1.110 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.926 -5.000 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.000 -5.347 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.540 -4.466 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.542 -1.920 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.675 -4.374 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.248 -0.052 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.384 -2.507 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.171 -0.344 5.895 1.00 0.00 H new ATOM 421 N MET A 26 -9.416 -5.070 1.381 1.00 0.00 N ATOM 422 CA MET A 26 -10.901 -4.972 1.453 1.00 0.00 C ATOM 423 C MET A 26 -11.353 -5.195 2.898 1.00 0.00 C ATOM 424 O MET A 26 -10.761 -5.967 3.634 1.00 0.00 O ATOM 425 CB MET A 26 -11.534 -6.042 0.557 1.00 0.00 C ATOM 426 CG MET A 26 -10.670 -6.252 -0.687 1.00 0.00 C ATOM 427 SD MET A 26 -11.655 -7.054 -1.977 1.00 0.00 S ATOM 428 CE MET A 26 -11.223 -8.763 -1.565 1.00 0.00 C ATOM 0 H MET A 26 -9.045 -6.020 1.351 1.00 0.00 H new ATOM 0 HA MET A 26 -11.214 -3.984 1.115 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.631 -6.979 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.539 -5.738 0.266 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.291 -5.295 -1.046 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.803 -6.866 -0.442 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.731 -9.442 -2.250 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.145 -8.897 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.533 -8.980 -0.543 1.00 0.00 H new ATOM 438 N VAL A 27 -12.397 -4.526 3.310 1.00 0.00 N ATOM 439 CA VAL A 27 -12.890 -4.698 4.704 1.00 0.00 C ATOM 440 C VAL A 27 -14.400 -4.945 4.688 1.00 0.00 C ATOM 441 O VAL A 27 -15.058 -4.881 5.708 1.00 0.00 O ATOM 442 CB VAL A 27 -12.584 -3.437 5.517 1.00 0.00 C ATOM 443 CG1 VAL A 27 -13.479 -2.291 5.042 1.00 0.00 C ATOM 444 CG2 VAL A 27 -12.849 -3.710 7.000 1.00 0.00 C ATOM 0 H VAL A 27 -12.929 -3.868 2.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.390 -5.552 5.161 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.539 -3.161 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.260 -1.394 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.291 -2.096 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.525 -2.565 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.631 -2.813 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.894 -3.987 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.210 -4.525 7.340 1.00 0.00 H new ATOM 454 N ALA A 28 -14.957 -5.234 3.540 1.00 0.00 N ATOM 455 CA ALA A 28 -16.425 -5.492 3.473 1.00 0.00 C ATOM 456 C ALA A 28 -16.814 -6.416 4.627 1.00 0.00 C ATOM 457 O ALA A 28 -17.880 -6.306 5.199 1.00 0.00 O ATOM 458 CB ALA A 28 -16.768 -6.161 2.138 1.00 0.00 C ATOM 0 H ALA A 28 -14.461 -5.302 2.651 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.972 -4.552 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.841 -6.349 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.478 -5.505 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.230 -7.105 2.056 1.00 0.00 H new ATOM 464 N THR A 29 -15.941 -7.316 4.982 1.00 0.00 N ATOM 465 CA THR A 29 -16.224 -8.247 6.108 1.00 0.00 C ATOM 466 C THR A 29 -14.960 -9.061 6.399 1.00 0.00 C ATOM 467 O THR A 29 -14.423 -8.986 7.486 1.00 0.00 O ATOM 468 CB THR A 29 -17.387 -9.179 5.752 1.00 0.00 C ATOM 469 OG1 THR A 29 -17.810 -8.920 4.420 1.00 0.00 O ATOM 470 CG2 THR A 29 -18.551 -8.942 6.717 1.00 0.00 C ATOM 0 H THR A 29 -15.034 -7.447 4.535 1.00 0.00 H new ATOM 0 HA THR A 29 -16.508 -7.677 6.993 1.00 0.00 H new ATOM 0 HB THR A 29 -17.059 -10.215 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.553 -9.517 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.377 -9.606 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.225 -9.145 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.882 -7.906 6.641 1.00 0.00 H new ATOM 478 N PRO A 30 -14.501 -9.797 5.415 1.00 0.00 N ATOM 479 CA PRO A 30 -13.278 -10.605 5.550 1.00 0.00 C ATOM 480 C PRO A 30 -12.049 -9.706 5.390 1.00 0.00 C ATOM 481 O PRO A 30 -11.365 -9.754 4.388 1.00 0.00 O ATOM 482 CB PRO A 30 -13.368 -11.598 4.390 1.00 0.00 C ATOM 483 CG PRO A 30 -14.303 -10.952 3.339 1.00 0.00 C ATOM 484 CD PRO A 30 -15.147 -9.902 4.086 1.00 0.00 C ATOM 0 HA PRO A 30 -13.190 -11.099 6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.382 -11.792 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.765 -12.556 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.725 -10.487 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.942 -11.703 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.144 -8.945 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.187 -10.215 4.172 1.00 0.00 H new ATOM 492 N LYS A 31 -11.774 -8.879 6.364 1.00 0.00 N ATOM 493 CA LYS A 31 -10.596 -7.968 6.264 1.00 0.00 C ATOM 494 C LYS A 31 -9.417 -8.720 5.650 1.00 0.00 C ATOM 495 O LYS A 31 -9.009 -9.756 6.136 1.00 0.00 O ATOM 496 CB LYS A 31 -10.208 -7.481 7.661 1.00 0.00 C ATOM 497 CG LYS A 31 -11.170 -6.379 8.107 1.00 0.00 C ATOM 498 CD LYS A 31 -10.546 -5.601 9.268 1.00 0.00 C ATOM 499 CE LYS A 31 -10.581 -6.460 10.534 1.00 0.00 C ATOM 500 NZ LYS A 31 -11.376 -5.764 11.584 1.00 0.00 N ATOM 0 H LYS A 31 -12.315 -8.795 7.225 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.853 -7.115 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.237 -8.311 8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.185 -7.104 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.381 -5.707 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.121 -6.813 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.518 -5.330 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.091 -4.671 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.021 -7.433 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.567 -6.642 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.400 -6.347 12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.938 -4.846 11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.346 -5.612 11.241 1.00 0.00 H new ATOM 514 N VAL A 32 -8.864 -8.211 4.586 1.00 0.00 N ATOM 515 CA VAL A 32 -7.710 -8.909 3.952 1.00 0.00 C ATOM 516 C VAL A 32 -6.987 -7.947 3.007 1.00 0.00 C ATOM 517 O VAL A 32 -7.618 -7.180 2.312 1.00 0.00 O ATOM 518 CB VAL A 32 -8.219 -10.114 3.159 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.232 -9.648 2.111 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.040 -10.797 2.460 1.00 0.00 C ATOM 0 H VAL A 32 -9.158 -7.348 4.129 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.019 -9.246 4.725 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.699 -10.818 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.594 -10.508 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.071 -9.161 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.754 -8.943 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.401 -11.656 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.561 -10.091 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.318 -11.131 3.206 1.00 0.00 H new ATOM 530 N PRO A 33 -5.681 -8.023 3.003 1.00 0.00 N ATOM 531 CA PRO A 33 -4.845 -7.170 2.144 1.00 0.00 C ATOM 532 C PRO A 33 -4.882 -7.691 0.708 1.00 0.00 C ATOM 533 O PRO A 33 -5.229 -8.829 0.467 1.00 0.00 O ATOM 534 CB PRO A 33 -3.447 -7.305 2.752 1.00 0.00 C ATOM 535 CG PRO A 33 -3.445 -8.631 3.549 1.00 0.00 C ATOM 536 CD PRO A 33 -4.918 -8.966 3.847 1.00 0.00 C ATOM 0 HA PRO A 33 -5.175 -6.132 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.684 -7.318 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.223 -6.460 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.975 -9.428 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.876 -8.527 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.150 -10.001 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.151 -8.833 4.904 1.00 0.00 H new ATOM 544 N VAL A 34 -4.541 -6.874 -0.253 1.00 0.00 N ATOM 545 CA VAL A 34 -4.582 -7.359 -1.660 1.00 0.00 C ATOM 546 C VAL A 34 -3.367 -6.854 -2.446 1.00 0.00 C ATOM 547 O VAL A 34 -2.753 -7.599 -3.184 1.00 0.00 O ATOM 548 CB VAL A 34 -5.894 -6.902 -2.326 1.00 0.00 C ATOM 549 CG1 VAL A 34 -5.688 -5.606 -3.120 1.00 0.00 C ATOM 550 CG2 VAL A 34 -6.378 -8.000 -3.275 1.00 0.00 C ATOM 0 H VAL A 34 -4.241 -5.907 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.546 -8.448 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.633 -6.715 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.630 -5.307 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.345 -4.819 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.942 -5.770 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.307 -7.686 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.621 -8.181 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.551 -8.917 -2.712 1.00 0.00 H new ATOM 560 N LYS A 35 -3.017 -5.604 -2.316 1.00 0.00 N ATOM 561 CA LYS A 35 -1.841 -5.106 -3.097 1.00 0.00 C ATOM 562 C LYS A 35 -1.138 -3.960 -2.365 1.00 0.00 C ATOM 563 O LYS A 35 -1.715 -3.284 -1.545 1.00 0.00 O ATOM 564 CB LYS A 35 -2.316 -4.616 -4.469 1.00 0.00 C ATOM 565 CG LYS A 35 -3.140 -3.332 -4.312 1.00 0.00 C ATOM 566 CD LYS A 35 -3.006 -2.481 -5.577 1.00 0.00 C ATOM 567 CE LYS A 35 -4.249 -2.662 -6.451 1.00 0.00 C ATOM 568 NZ LYS A 35 -3.920 -3.551 -7.601 1.00 0.00 N ATOM 0 H LYS A 35 -3.479 -4.918 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.132 -5.926 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.458 -4.430 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.917 -5.387 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.187 -3.579 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.795 -2.770 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.886 -1.431 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.114 -2.773 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.060 -3.093 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.597 -1.694 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.764 -3.675 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.159 -3.122 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.608 -4.477 -7.246 1.00 0.00 H new ATOM 582 N ARG A 36 0.110 -3.733 -2.677 1.00 0.00 N ATOM 583 CA ARG A 36 0.864 -2.624 -2.022 1.00 0.00 C ATOM 584 C ARG A 36 1.819 -2.006 -3.048 1.00 0.00 C ATOM 585 O ARG A 36 2.403 -2.702 -3.856 1.00 0.00 O ATOM 586 CB ARG A 36 1.673 -3.165 -0.837 1.00 0.00 C ATOM 587 CG ARG A 36 1.031 -4.449 -0.304 1.00 0.00 C ATOM 588 CD ARG A 36 1.452 -5.629 -1.178 1.00 0.00 C ATOM 589 NE ARG A 36 0.249 -6.431 -1.538 1.00 0.00 N ATOM 590 CZ ARG A 36 0.377 -7.516 -2.251 1.00 0.00 C ATOM 591 NH1 ARG A 36 1.006 -7.474 -3.394 1.00 0.00 N ATOM 592 NH2 ARG A 36 -0.123 -8.642 -1.821 1.00 0.00 N ATOM 0 H ARG A 36 0.642 -4.271 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 36 0.163 -1.873 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.699 -3.364 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.719 -2.417 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.337 -4.620 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.055 -4.352 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.947 -5.269 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.172 -6.251 -0.646 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.675 -6.132 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.397 -6.593 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.107 -8.322 -3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.614 -8.674 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.023 -9.490 -2.378 1.00 0.00 H new ATOM 606 N GLY A 37 1.985 -0.709 -3.036 1.00 0.00 N ATOM 607 CA GLY A 37 2.904 -0.075 -4.028 1.00 0.00 C ATOM 608 C GLY A 37 3.362 1.298 -3.528 1.00 0.00 C ATOM 609 O GLY A 37 3.615 1.490 -2.356 1.00 0.00 O ATOM 0 H GLY A 37 1.529 -0.066 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.770 -0.716 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.397 0.030 -4.987 1.00 0.00 H new ATOM 613 N CYS A 38 3.481 2.253 -4.414 1.00 0.00 N ATOM 614 CA CYS A 38 3.934 3.612 -3.994 1.00 0.00 C ATOM 615 C CYS A 38 3.274 4.677 -4.879 1.00 0.00 C ATOM 616 O CYS A 38 3.266 4.573 -6.090 1.00 0.00 O ATOM 617 CB CYS A 38 5.455 3.705 -4.146 1.00 0.00 C ATOM 618 SG CYS A 38 6.220 3.963 -2.525 1.00 0.00 S ATOM 0 H CYS A 38 3.284 2.150 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 38 3.652 3.781 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.841 2.792 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.713 4.526 -4.815 1.00 0.00 H new ATOM 623 N ILE A 39 2.732 5.708 -4.285 1.00 0.00 N ATOM 624 CA ILE A 39 2.088 6.784 -5.093 1.00 0.00 C ATOM 625 C ILE A 39 2.299 8.141 -4.391 1.00 0.00 C ATOM 626 O ILE A 39 2.937 8.216 -3.361 1.00 0.00 O ATOM 627 CB ILE A 39 0.592 6.472 -5.264 1.00 0.00 C ATOM 628 CG1 ILE A 39 0.044 7.245 -6.493 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.169 6.823 -3.983 1.00 0.00 C ATOM 630 CD1 ILE A 39 -1.082 8.231 -6.120 1.00 0.00 C ATOM 0 H ILE A 39 2.708 5.851 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 39 2.540 6.834 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 39 0.452 5.406 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.859 7.792 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.331 6.533 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.227 6.598 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.226 6.237 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.048 7.885 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.428 8.744 -7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.911 7.684 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.703 8.963 -5.407 1.00 0.00 H new ATOM 642 N ASP A 40 1.796 9.214 -4.952 1.00 0.00 N ATOM 643 CA ASP A 40 1.998 10.558 -4.328 1.00 0.00 C ATOM 644 C ASP A 40 0.788 10.948 -3.471 1.00 0.00 C ATOM 645 O ASP A 40 0.829 11.915 -2.737 1.00 0.00 O ATOM 646 CB ASP A 40 2.177 11.604 -5.432 1.00 0.00 C ATOM 647 CG ASP A 40 0.944 11.608 -6.340 1.00 0.00 C ATOM 648 OD1 ASP A 40 0.880 10.768 -7.223 1.00 0.00 O ATOM 649 OD2 ASP A 40 0.085 12.449 -6.136 1.00 0.00 O ATOM 0 H ASP A 40 1.254 9.216 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 40 2.883 10.516 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.320 12.591 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.070 11.382 -6.016 1.00 0.00 H new ATOM 654 N VAL A 41 -0.287 10.217 -3.556 1.00 0.00 N ATOM 655 CA VAL A 41 -1.485 10.569 -2.746 1.00 0.00 C ATOM 656 C VAL A 41 -2.332 9.319 -2.509 1.00 0.00 C ATOM 657 O VAL A 41 -2.331 8.397 -3.297 1.00 0.00 O ATOM 658 CB VAL A 41 -2.316 11.618 -3.488 1.00 0.00 C ATOM 659 CG1 VAL A 41 -2.848 11.022 -4.793 1.00 0.00 C ATOM 660 CG2 VAL A 41 -3.492 12.049 -2.608 1.00 0.00 C ATOM 0 H VAL A 41 -0.388 9.393 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.164 10.974 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.692 12.483 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.440 11.770 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.011 10.713 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.473 10.157 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.086 12.796 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.115 11.183 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.114 12.475 -1.679 1.00 0.00 H new ATOM 670 N CYS A 42 -3.052 9.281 -1.423 1.00 0.00 N ATOM 671 CA CYS A 42 -3.894 8.088 -1.126 1.00 0.00 C ATOM 672 C CYS A 42 -5.252 8.234 -1.820 1.00 0.00 C ATOM 673 O CYS A 42 -5.748 9.331 -1.984 1.00 0.00 O ATOM 674 CB CYS A 42 -4.114 7.967 0.388 1.00 0.00 C ATOM 675 SG CYS A 42 -2.600 8.417 1.278 1.00 0.00 S ATOM 0 H CYS A 42 -3.094 10.025 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.386 7.195 -1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.933 8.617 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.404 6.947 0.641 1.00 0.00 H new ATOM 680 N PRO A 43 -5.817 7.116 -2.199 1.00 0.00 N ATOM 681 CA PRO A 43 -7.127 7.078 -2.871 1.00 0.00 C ATOM 682 C PRO A 43 -8.248 7.293 -1.851 1.00 0.00 C ATOM 683 O PRO A 43 -8.026 7.808 -0.773 1.00 0.00 O ATOM 684 CB PRO A 43 -7.185 5.669 -3.468 1.00 0.00 C ATOM 685 CG PRO A 43 -6.194 4.807 -2.650 1.00 0.00 C ATOM 686 CD PRO A 43 -5.204 5.787 -1.991 1.00 0.00 C ATOM 0 HA PRO A 43 -7.250 7.855 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.195 5.263 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.909 5.682 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.720 4.221 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.670 4.101 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.075 5.570 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.218 5.727 -2.451 1.00 0.00 H new ATOM 694 N LYS A 44 -9.448 6.902 -2.178 1.00 0.00 N ATOM 695 CA LYS A 44 -10.576 7.086 -1.221 1.00 0.00 C ATOM 696 C LYS A 44 -11.272 5.744 -0.990 1.00 0.00 C ATOM 697 O LYS A 44 -11.292 4.886 -1.850 1.00 0.00 O ATOM 698 CB LYS A 44 -11.576 8.093 -1.796 1.00 0.00 C ATOM 699 CG LYS A 44 -12.051 9.038 -0.688 1.00 0.00 C ATOM 700 CD LYS A 44 -10.851 9.772 -0.078 1.00 0.00 C ATOM 701 CE LYS A 44 -9.919 10.262 -1.190 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.055 11.360 -0.669 1.00 0.00 N ATOM 0 H LYS A 44 -9.697 6.464 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.191 7.462 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.111 8.664 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.427 7.568 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.762 9.759 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.574 8.473 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.195 10.617 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.310 9.106 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.302 9.439 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.504 10.617 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.422 11.692 -1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.652 12.148 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.487 11.007 0.127 1.00 0.00 H new ATOM 716 N SER A 45 -11.843 5.555 0.168 1.00 0.00 N ATOM 717 CA SER A 45 -12.536 4.268 0.457 1.00 0.00 C ATOM 718 C SER A 45 -14.011 4.387 0.064 1.00 0.00 C ATOM 719 O SER A 45 -14.605 5.442 0.164 1.00 0.00 O ATOM 720 CB SER A 45 -12.427 3.957 1.950 1.00 0.00 C ATOM 721 OG SER A 45 -13.241 2.833 2.257 1.00 0.00 O ATOM 0 H SER A 45 -11.859 6.237 0.927 1.00 0.00 H new ATOM 0 HA SER A 45 -12.071 3.465 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.390 3.753 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.742 4.820 2.537 1.00 0.00 H new ATOM 0 HG SER A 45 -12.911 2.048 1.772 1.00 0.00 H new ATOM 727 N SER A 46 -14.606 3.315 -0.384 1.00 0.00 N ATOM 728 CA SER A 46 -16.040 3.374 -0.784 1.00 0.00 C ATOM 729 C SER A 46 -16.899 2.710 0.294 1.00 0.00 C ATOM 730 O SER A 46 -17.389 3.358 1.198 1.00 0.00 O ATOM 731 CB SER A 46 -16.229 2.640 -2.112 1.00 0.00 C ATOM 732 OG SER A 46 -15.057 1.894 -2.408 1.00 0.00 O ATOM 0 H SER A 46 -14.162 2.403 -0.490 1.00 0.00 H new ATOM 0 HA SER A 46 -16.343 4.415 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.091 1.976 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.430 3.355 -2.910 1.00 0.00 H new ATOM 0 HG SER A 46 -15.176 1.421 -3.258 1.00 0.00 H new ATOM 738 N LEU A 47 -17.086 1.423 0.204 1.00 0.00 N ATOM 739 CA LEU A 47 -17.914 0.717 1.222 1.00 0.00 C ATOM 740 C LEU A 47 -17.343 -0.682 1.472 1.00 0.00 C ATOM 741 O LEU A 47 -17.964 -1.507 2.113 1.00 0.00 O ATOM 742 CB LEU A 47 -19.352 0.594 0.715 1.00 0.00 C ATOM 743 CG LEU A 47 -19.981 1.984 0.617 1.00 0.00 C ATOM 744 CD1 LEU A 47 -21.243 1.916 -0.245 1.00 0.00 C ATOM 745 CD2 LEU A 47 -20.350 2.478 2.017 1.00 0.00 C ATOM 0 H LEU A 47 -16.701 0.829 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 47 -17.901 1.285 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.364 0.109 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.934 -0.033 1.390 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.267 2.672 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.690 2.908 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.983 1.565 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.956 1.227 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.798 3.469 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -21.063 1.789 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.452 2.529 2.633 1.00 0.00 H new ATOM 757 N LEU A 48 -16.169 -0.960 0.972 1.00 0.00 N ATOM 758 CA LEU A 48 -15.573 -2.309 1.186 1.00 0.00 C ATOM 759 C LEU A 48 -14.153 -2.344 0.615 1.00 0.00 C ATOM 760 O LEU A 48 -13.753 -3.302 -0.017 1.00 0.00 O ATOM 761 CB LEU A 48 -16.429 -3.359 0.475 1.00 0.00 C ATOM 762 CG LEU A 48 -16.670 -2.923 -0.971 1.00 0.00 C ATOM 763 CD1 LEU A 48 -16.547 -4.135 -1.896 1.00 0.00 C ATOM 764 CD2 LEU A 48 -18.074 -2.326 -1.099 1.00 0.00 C ATOM 0 H LEU A 48 -15.599 -0.313 0.427 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.538 -2.522 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.929 -4.327 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.380 -3.480 0.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.930 -2.174 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.719 -3.825 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.548 -4.561 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.287 -4.884 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.245 -2.016 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.815 -3.075 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.163 -1.462 -0.440 1.00 0.00 H new ATOM 776 N VAL A 49 -13.387 -1.309 0.829 1.00 0.00 N ATOM 777 CA VAL A 49 -11.995 -1.291 0.295 1.00 0.00 C ATOM 778 C VAL A 49 -11.237 -0.101 0.882 1.00 0.00 C ATOM 779 O VAL A 49 -11.379 1.019 0.433 1.00 0.00 O ATOM 780 CB VAL A 49 -12.039 -1.165 -1.229 1.00 0.00 C ATOM 781 CG1 VAL A 49 -12.851 0.072 -1.615 1.00 0.00 C ATOM 782 CG2 VAL A 49 -10.614 -1.028 -1.771 1.00 0.00 C ATOM 0 H VAL A 49 -13.664 -0.477 1.349 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.487 -2.215 0.571 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.506 -2.054 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.883 0.162 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.866 -0.024 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.384 0.961 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.645 -0.938 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.147 -0.139 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.034 -1.909 -1.496 1.00 0.00 H new ATOM 792 N LYS A 50 -10.432 -0.331 1.882 1.00 0.00 N ATOM 793 CA LYS A 50 -9.667 0.791 2.492 1.00 0.00 C ATOM 794 C LYS A 50 -8.222 0.760 1.990 1.00 0.00 C ATOM 795 O LYS A 50 -7.778 -0.206 1.400 1.00 0.00 O ATOM 796 CB LYS A 50 -9.681 0.656 4.015 1.00 0.00 C ATOM 797 CG LYS A 50 -10.667 1.666 4.609 1.00 0.00 C ATOM 798 CD LYS A 50 -10.168 2.123 5.982 1.00 0.00 C ATOM 799 CE LYS A 50 -11.154 1.671 7.060 1.00 0.00 C ATOM 800 NZ LYS A 50 -11.280 2.733 8.098 1.00 0.00 N ATOM 0 H LYS A 50 -10.271 -1.246 2.302 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.129 1.737 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.967 -0.357 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.682 0.829 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.770 2.524 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.655 1.214 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.181 1.705 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.065 3.208 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.127 1.467 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.810 0.742 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.951 2.425 8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.351 2.907 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.627 3.609 7.658 1.00 0.00 H new ATOM 814 N TYR A 51 -7.487 1.812 2.221 1.00 0.00 N ATOM 815 CA TYR A 51 -6.073 1.850 1.758 1.00 0.00 C ATOM 816 C TYR A 51 -5.175 2.316 2.905 1.00 0.00 C ATOM 817 O TYR A 51 -5.637 2.868 3.884 1.00 0.00 O ATOM 818 CB TYR A 51 -5.948 2.834 0.594 1.00 0.00 C ATOM 819 CG TYR A 51 -6.580 4.150 0.984 1.00 0.00 C ATOM 820 CD1 TYR A 51 -7.972 4.295 0.943 1.00 0.00 C ATOM 821 CD2 TYR A 51 -5.777 5.222 1.391 1.00 0.00 C ATOM 822 CE1 TYR A 51 -8.561 5.512 1.307 1.00 0.00 C ATOM 823 CE2 TYR A 51 -6.366 6.440 1.756 1.00 0.00 C ATOM 824 CZ TYR A 51 -7.757 6.585 1.713 1.00 0.00 C ATOM 825 OH TYR A 51 -8.338 7.785 2.073 1.00 0.00 O ATOM 0 H TYR A 51 -7.806 2.648 2.711 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.770 0.854 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.899 2.983 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.437 2.431 -0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.592 3.468 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.703 5.110 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.635 5.623 1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.746 7.267 2.070 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.418 8.360 1.283 1.00 0.00 H new ATOM 835 N VAL A 52 -3.894 2.103 2.788 1.00 0.00 N ATOM 836 CA VAL A 52 -2.964 2.541 3.870 1.00 0.00 C ATOM 837 C VAL A 52 -1.698 3.137 3.244 1.00 0.00 C ATOM 838 O VAL A 52 -0.951 2.462 2.565 1.00 0.00 O ATOM 839 CB VAL A 52 -2.598 1.339 4.744 1.00 0.00 C ATOM 840 CG1 VAL A 52 -1.414 1.693 5.645 1.00 0.00 C ATOM 841 CG2 VAL A 52 -3.800 0.961 5.613 1.00 0.00 C ATOM 0 H VAL A 52 -3.450 1.645 1.992 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.449 3.298 4.487 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.325 0.499 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.158 0.833 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.556 1.964 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.682 2.534 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.543 0.105 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.070 1.805 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.644 0.703 4.974 1.00 0.00 H new ATOM 851 N CYS A 53 -1.450 4.400 3.472 1.00 0.00 N ATOM 852 CA CYS A 53 -0.229 5.043 2.892 1.00 0.00 C ATOM 853 C CYS A 53 0.856 5.119 3.969 1.00 0.00 C ATOM 854 O CYS A 53 0.610 4.861 5.131 1.00 0.00 O ATOM 855 CB CYS A 53 -0.536 6.466 2.371 1.00 0.00 C ATOM 856 SG CYS A 53 -2.297 6.881 2.559 1.00 0.00 S ATOM 0 H CYS A 53 -2.038 5.015 4.034 1.00 0.00 H new ATOM 0 HA CYS A 53 0.112 4.440 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.070 7.192 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.254 6.538 1.320 1.00 0.00 H new ATOM 861 N CYS A 54 2.056 5.468 3.594 1.00 0.00 N ATOM 862 CA CYS A 54 3.156 5.554 4.595 1.00 0.00 C ATOM 863 C CYS A 54 4.132 6.654 4.178 1.00 0.00 C ATOM 864 O CYS A 54 4.643 6.659 3.072 1.00 0.00 O ATOM 865 CB CYS A 54 3.897 4.216 4.665 1.00 0.00 C ATOM 866 SG CYS A 54 4.004 3.673 6.390 1.00 0.00 S ATOM 0 H CYS A 54 2.322 5.698 2.636 1.00 0.00 H new ATOM 0 HA CYS A 54 2.737 5.785 5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.375 3.468 4.069 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.897 4.319 4.243 1.00 0.00 H new ATOM 871 N ASN A 55 4.391 7.585 5.055 1.00 0.00 N ATOM 872 CA ASN A 55 5.331 8.692 4.722 1.00 0.00 C ATOM 873 C ASN A 55 6.466 8.714 5.748 1.00 0.00 C ATOM 874 O ASN A 55 6.726 9.719 6.380 1.00 0.00 O ATOM 875 CB ASN A 55 4.577 10.024 4.764 1.00 0.00 C ATOM 876 CG ASN A 55 5.201 11.002 3.767 1.00 0.00 C ATOM 877 OD1 ASN A 55 4.540 11.904 3.291 1.00 0.00 O ATOM 878 ND2 ASN A 55 6.453 10.863 3.430 1.00 0.00 N ATOM 0 H ASN A 55 3.990 7.626 5.992 1.00 0.00 H new ATOM 0 HA ASN A 55 5.744 8.539 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.526 9.866 4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.614 10.442 5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.878 11.511 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.008 10.106 3.830 1.00 0.00 H new ATOM 885 N THR A 56 7.142 7.609 5.922 1.00 0.00 N ATOM 886 CA THR A 56 8.257 7.564 6.911 1.00 0.00 C ATOM 887 C THR A 56 9.391 6.687 6.373 1.00 0.00 C ATOM 888 O THR A 56 10.522 7.117 6.267 1.00 0.00 O ATOM 889 CB THR A 56 7.741 6.980 8.229 1.00 0.00 C ATOM 890 OG1 THR A 56 6.660 7.770 8.703 1.00 0.00 O ATOM 891 CG2 THR A 56 8.865 6.977 9.267 1.00 0.00 C ATOM 0 H THR A 56 6.970 6.737 5.422 1.00 0.00 H new ATOM 0 HA THR A 56 8.633 8.573 7.079 1.00 0.00 H new ATOM 0 HB THR A 56 7.402 5.957 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.327 7.397 9.546 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.494 6.561 10.204 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.694 6.370 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.208 7.998 9.434 1.00 0.00 H new ATOM 899 N ASP A 57 9.102 5.460 6.033 1.00 0.00 N ATOM 900 CA ASP A 57 10.174 4.568 5.507 1.00 0.00 C ATOM 901 C ASP A 57 9.578 3.195 5.161 1.00 0.00 C ATOM 902 O ASP A 57 8.614 3.103 4.428 1.00 0.00 O ATOM 903 CB ASP A 57 11.269 4.421 6.568 1.00 0.00 C ATOM 904 CG ASP A 57 12.535 3.854 5.922 1.00 0.00 C ATOM 905 OD1 ASP A 57 12.965 4.405 4.922 1.00 0.00 O ATOM 906 OD2 ASP A 57 13.053 2.877 6.438 1.00 0.00 O ATOM 0 H ASP A 57 8.175 5.039 6.096 1.00 0.00 H new ATOM 0 HA ASP A 57 10.606 4.999 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.482 5.389 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.929 3.762 7.367 1.00 0.00 H new ATOM 911 N ARG A 58 10.137 2.126 5.673 1.00 0.00 N ATOM 912 CA ARG A 58 9.587 0.779 5.354 1.00 0.00 C ATOM 913 C ARG A 58 8.394 0.480 6.266 1.00 0.00 C ATOM 914 O ARG A 58 7.908 -0.633 6.316 1.00 0.00 O ATOM 915 CB ARG A 58 10.671 -0.279 5.569 1.00 0.00 C ATOM 916 CG ARG A 58 10.888 -1.059 4.271 1.00 0.00 C ATOM 917 CD ARG A 58 10.428 -2.506 4.463 1.00 0.00 C ATOM 918 NE ARG A 58 11.189 -3.124 5.585 1.00 0.00 N ATOM 919 CZ ARG A 58 10.602 -3.347 6.729 1.00 0.00 C ATOM 920 NH1 ARG A 58 9.362 -3.751 6.760 1.00 0.00 N ATOM 921 NH2 ARG A 58 11.256 -3.165 7.844 1.00 0.00 N ATOM 0 H ARG A 58 10.946 2.131 6.294 1.00 0.00 H new ATOM 0 HA ARG A 58 9.260 0.760 4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.601 0.196 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.377 -0.958 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.331 -0.594 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.941 -1.035 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.359 -2.534 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.586 -3.074 3.546 1.00 0.00 H new ATOM 0 HE ARG A 58 12.170 -3.373 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.850 -3.893 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.905 -3.925 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.225 -2.849 7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.798 -3.339 8.738 1.00 0.00 H new ATOM 935 N CYS A 59 7.918 1.462 6.985 1.00 0.00 N ATOM 936 CA CYS A 59 6.754 1.232 7.889 1.00 0.00 C ATOM 937 C CYS A 59 5.719 0.365 7.171 1.00 0.00 C ATOM 938 O CYS A 59 5.008 -0.406 7.783 1.00 0.00 O ATOM 939 CB CYS A 59 6.120 2.575 8.257 1.00 0.00 C ATOM 940 SG CYS A 59 5.987 3.607 6.775 1.00 0.00 S ATOM 0 H CYS A 59 8.285 2.414 6.985 1.00 0.00 H new ATOM 0 HA CYS A 59 7.091 0.728 8.795 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.133 2.416 8.692 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.724 3.080 9.011 1.00 0.00 H new ATOM 945 N ASN A 60 5.634 0.484 5.875 1.00 0.00 N ATOM 946 CA ASN A 60 4.651 -0.335 5.116 1.00 0.00 C ATOM 947 C ASN A 60 5.229 -1.734 4.895 1.00 0.00 C ATOM 948 O ASN A 60 5.960 -2.193 5.757 1.00 0.00 O ATOM 949 CB ASN A 60 4.369 0.328 3.766 1.00 0.00 C ATOM 950 CG ASN A 60 3.346 -0.506 2.988 1.00 0.00 C ATOM 951 OD1 ASN A 60 2.732 -1.398 3.535 1.00 0.00 O ATOM 952 ND2 ASN A 60 3.138 -0.252 1.724 1.00 0.00 N ATOM 953 OXT ASN A 60 4.931 -2.324 3.869 1.00 0.00 O ATOM 0 H ASN A 60 6.203 1.114 5.310 1.00 0.00 H new ATOM 0 HA ASN A 60 3.720 -0.410 5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.990 1.338 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.292 0.417 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.460 -0.803 1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.654 0.498 1.263 1.00 0.00 H new