USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 713 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 9 SER OG : rot 127:sc= -4.1! USER MOD Set 1.2: A 92 THR OG1 : rot 9:sc= -0.117 USER MOD Single : A 1 VAL N :NH3+ 157:sc= -1.11 (180deg=-2.52!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -7.23! C(o=-7.2!,f=-9.9!) USER MOD Single : A 7 ASN : amide:sc=-0.00554 K(o=-0.0055,f=-1.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 0.385 (180deg=-0.0918) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0333 K(o=-0.033,f=-2.3!) USER MOD Single : A 49 SER OG : rot -58:sc= -6.35! USER MOD Single : A 50 ASN : amide:sc= -6.11! C(o=-6.1!,f=-10!) USER MOD Single : A 52 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.6!) USER MOD Single : A 58 LYS NZ :NH3+ 138:sc= -0.18 (180deg=-0.844) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.2) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.53) USER MOD Single : A 82 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.622 -12.569 -0.215 1.00 0.00 N ATOM 2 CA VAL A 1 -0.805 -11.730 0.709 1.00 0.00 C ATOM 3 C VAL A 1 -1.671 -11.219 1.864 1.00 0.00 C ATOM 4 O VAL A 1 -2.167 -10.111 1.837 1.00 0.00 O ATOM 5 CB VAL A 1 -0.310 -10.564 -0.148 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.813 -11.048 -1.068 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.467 -10.026 -0.994 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.175 -12.587 -1.154 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.683 -13.538 0.158 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.578 -12.168 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 1 0.020 -12.287 1.153 1.00 0.00 H new ATOM 0 HB VAL A 1 0.067 -9.771 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.166 -10.217 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.637 -11.432 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.437 -11.840 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.115 -9.195 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.844 -10.818 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.267 -9.681 -0.339 1.00 0.00 H new ATOM 19 N THR A 2 -1.860 -12.021 2.876 1.00 0.00 N ATOM 20 CA THR A 2 -2.697 -11.581 4.030 1.00 0.00 C ATOM 21 C THR A 2 -1.889 -11.643 5.330 1.00 0.00 C ATOM 22 O THR A 2 -1.059 -12.510 5.517 1.00 0.00 O ATOM 23 CB THR A 2 -3.859 -12.575 4.075 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.455 -12.660 2.788 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.899 -12.105 5.091 1.00 0.00 C ATOM 0 H THR A 2 -1.472 -12.961 2.954 1.00 0.00 H new ATOM 0 HA THR A 2 -3.040 -10.552 3.921 1.00 0.00 H new ATOM 0 HB THR A 2 -3.487 -13.556 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.199 -13.298 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.725 -12.815 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.440 -12.040 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.274 -11.124 4.800 1.00 0.00 H new ATOM 33 N VAL A 3 -2.127 -10.728 6.231 1.00 0.00 N ATOM 34 CA VAL A 3 -1.375 -10.735 7.520 1.00 0.00 C ATOM 35 C VAL A 3 -2.101 -11.608 8.546 1.00 0.00 C ATOM 36 O VAL A 3 -3.239 -11.361 8.889 1.00 0.00 O ATOM 37 CB VAL A 3 -1.350 -9.275 7.973 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.599 -9.168 9.303 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.637 -8.429 6.917 1.00 0.00 C ATOM 0 H VAL A 3 -2.809 -9.976 6.131 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.369 -11.142 7.412 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.371 -8.915 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.580 -8.128 9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.104 -9.774 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.422 -9.526 9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.618 -7.387 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.384 -8.789 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.169 -8.507 5.969 1.00 0.00 H new ATOM 49 N GLN A 4 -1.455 -12.634 9.032 1.00 0.00 N ATOM 50 CA GLN A 4 -2.117 -13.523 10.027 1.00 0.00 C ATOM 51 C GLN A 4 -1.401 -13.452 11.380 1.00 0.00 C ATOM 52 O GLN A 4 -0.190 -13.403 11.456 1.00 0.00 O ATOM 53 CB GLN A 4 -2.009 -14.930 9.437 1.00 0.00 C ATOM 54 CG GLN A 4 -0.556 -15.405 9.511 1.00 0.00 C ATOM 55 CD GLN A 4 -0.486 -16.891 9.153 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.435 -17.450 8.638 1.00 0.00 O ATOM 57 NE2 GLN A 4 0.605 -17.560 9.406 1.00 0.00 N ATOM 0 H GLN A 4 -0.500 -12.894 8.783 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.152 -13.231 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.655 -15.616 9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.350 -14.929 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.063 -14.825 8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.160 -15.242 10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.402 -17.092 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.661 -18.551 9.172 1.00 0.00 H new ATOM 66 N ASP A 5 -2.152 -13.454 12.446 1.00 0.00 N ATOM 67 CA ASP A 5 -1.532 -13.396 13.801 1.00 0.00 C ATOM 68 C ASP A 5 -1.718 -14.737 14.516 1.00 0.00 C ATOM 69 O ASP A 5 -1.522 -14.850 15.710 1.00 0.00 O ATOM 70 CB ASP A 5 -2.276 -12.283 14.537 1.00 0.00 C ATOM 71 CG ASP A 5 -3.759 -12.639 14.638 1.00 0.00 C ATOM 72 OD1 ASP A 5 -4.094 -13.781 14.369 1.00 0.00 O ATOM 73 OD2 ASP A 5 -4.534 -11.763 14.984 1.00 0.00 O ATOM 0 H ASP A 5 -3.171 -13.493 12.438 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.460 -13.201 13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.855 -12.147 15.533 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.153 -11.338 14.008 1.00 0.00 H new ATOM 78 N GLY A 6 -2.096 -15.753 13.790 1.00 0.00 N ATOM 79 CA GLY A 6 -2.297 -17.088 14.418 1.00 0.00 C ATOM 80 C GLY A 6 -2.758 -18.080 13.348 1.00 0.00 C ATOM 81 O GLY A 6 -2.227 -18.119 12.256 1.00 0.00 O ATOM 0 H GLY A 6 -2.275 -15.715 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.369 -17.432 14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.039 -17.021 15.214 1.00 0.00 H new ATOM 85 N ASN A 7 -3.742 -18.879 13.651 1.00 0.00 N ATOM 86 CA ASN A 7 -4.237 -19.865 12.649 1.00 0.00 C ATOM 87 C ASN A 7 -5.206 -19.187 11.677 1.00 0.00 C ATOM 88 O ASN A 7 -5.786 -19.822 10.819 1.00 0.00 O ATOM 89 CB ASN A 7 -4.957 -20.935 13.469 1.00 0.00 C ATOM 90 CG ASN A 7 -3.954 -21.629 14.393 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.758 -21.523 14.201 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.392 -22.340 15.395 1.00 0.00 N ATOM 0 H ASN A 7 -4.225 -18.893 14.549 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.431 -20.287 12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.756 -20.482 14.056 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.423 -21.664 12.806 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.731 -22.806 16.017 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.395 -22.430 15.557 1.00 0.00 H new ATOM 99 N PHE A 8 -5.389 -17.901 11.808 1.00 0.00 N ATOM 100 CA PHE A 8 -6.323 -17.181 10.895 1.00 0.00 C ATOM 101 C PHE A 8 -5.588 -16.048 10.172 1.00 0.00 C ATOM 102 O PHE A 8 -4.631 -15.494 10.678 1.00 0.00 O ATOM 103 CB PHE A 8 -7.410 -16.620 11.810 1.00 0.00 C ATOM 104 CG PHE A 8 -8.066 -17.754 12.561 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.530 -18.192 13.778 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.209 -18.371 12.037 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.137 -19.246 14.471 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.815 -19.425 12.730 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.280 -19.862 13.948 1.00 0.00 C ATOM 0 H PHE A 8 -4.932 -17.317 12.508 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.735 -17.832 10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.978 -15.906 12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.153 -16.080 11.223 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.648 -17.717 14.182 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.623 -18.033 11.098 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.723 -19.584 15.410 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.696 -19.902 12.325 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.749 -20.674 14.484 1.00 0.00 H new ATOM 119 N SER A 9 -6.025 -15.700 8.991 1.00 0.00 N ATOM 120 CA SER A 9 -5.351 -14.602 8.239 1.00 0.00 C ATOM 121 C SER A 9 -6.195 -13.325 8.297 1.00 0.00 C ATOM 122 O SER A 9 -7.396 -13.354 8.121 1.00 0.00 O ATOM 123 CB SER A 9 -5.246 -15.113 6.802 1.00 0.00 C ATOM 124 OG SER A 9 -4.212 -14.415 6.125 1.00 0.00 O ATOM 0 H SER A 9 -6.819 -16.128 8.515 1.00 0.00 H new ATOM 0 HA SER A 9 -4.374 -14.355 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.039 -16.183 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.195 -14.971 6.284 1.00 0.00 H new ATOM 0 HG SER A 9 -3.592 -15.059 5.722 1.00 0.00 H new ATOM 130 N PHE A 10 -5.574 -12.205 8.550 1.00 0.00 N ATOM 131 CA PHE A 10 -6.340 -10.928 8.626 1.00 0.00 C ATOM 132 C PHE A 10 -5.807 -9.920 7.603 1.00 0.00 C ATOM 133 O PHE A 10 -4.615 -9.724 7.473 1.00 0.00 O ATOM 134 CB PHE A 10 -6.112 -10.420 10.048 1.00 0.00 C ATOM 135 CG PHE A 10 -6.687 -11.408 11.033 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.940 -11.984 10.796 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.968 -11.748 12.187 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.476 -12.898 11.711 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.505 -12.662 13.102 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.758 -13.237 12.864 1.00 0.00 C ATOM 0 H PHE A 10 -4.570 -12.119 8.707 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.398 -11.068 8.404 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.046 -10.286 10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.583 -9.445 10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.494 -11.723 9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.000 -11.305 12.371 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.443 -13.342 11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.952 -12.923 13.992 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.171 -13.942 13.570 1.00 0.00 H new ATOM 150 N SER A 11 -6.683 -9.281 6.876 1.00 0.00 N ATOM 151 CA SER A 11 -6.231 -8.285 5.860 1.00 0.00 C ATOM 152 C SER A 11 -5.742 -7.006 6.548 1.00 0.00 C ATOM 153 O SER A 11 -5.957 -6.802 7.726 1.00 0.00 O ATOM 154 CB SER A 11 -7.471 -7.996 5.013 1.00 0.00 C ATOM 155 OG SER A 11 -7.935 -9.202 4.425 1.00 0.00 O ATOM 0 H SER A 11 -7.693 -9.405 6.941 1.00 0.00 H new ATOM 0 HA SER A 11 -5.401 -8.657 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.253 -7.557 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.233 -7.269 4.237 1.00 0.00 H new ATOM 0 HG SER A 11 -8.731 -9.017 3.884 1.00 0.00 H new ATOM 161 N LEU A 12 -5.081 -6.145 5.822 1.00 0.00 N ATOM 162 CA LEU A 12 -4.577 -4.883 6.436 1.00 0.00 C ATOM 163 C LEU A 12 -5.570 -3.740 6.205 1.00 0.00 C ATOM 164 O LEU A 12 -5.509 -2.712 6.851 1.00 0.00 O ATOM 165 CB LEU A 12 -3.251 -4.601 5.726 1.00 0.00 C ATOM 166 CG LEU A 12 -2.269 -5.741 6.014 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.641 -6.959 5.165 1.00 0.00 C ATOM 168 CD2 LEU A 12 -0.848 -5.295 5.666 1.00 0.00 C ATOM 0 H LEU A 12 -4.868 -6.261 4.831 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.451 -4.972 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.413 -4.508 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.836 -3.653 6.069 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.318 -6.002 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.943 -7.771 5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.653 -7.279 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.592 -6.695 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.151 -6.107 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.798 -5.032 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.581 -4.427 6.269 1.00 0.00 H new ATOM 180 N GLU A 13 -6.487 -3.908 5.290 1.00 0.00 N ATOM 181 CA GLU A 13 -7.481 -2.826 5.026 1.00 0.00 C ATOM 182 C GLU A 13 -8.383 -2.625 6.246 1.00 0.00 C ATOM 183 O GLU A 13 -8.317 -1.616 6.919 1.00 0.00 O ATOM 184 CB GLU A 13 -8.305 -3.316 3.834 1.00 0.00 C ATOM 185 CG GLU A 13 -7.406 -3.440 2.603 1.00 0.00 C ATOM 186 CD GLU A 13 -8.253 -3.841 1.393 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.414 -4.166 1.588 1.00 0.00 O ATOM 188 OE2 GLU A 13 -7.727 -3.817 0.293 1.00 0.00 O ATOM 0 H GLU A 13 -6.591 -4.744 4.715 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.998 -1.870 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.758 -4.280 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.120 -2.621 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.902 -2.493 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.629 -4.184 2.780 1.00 0.00 H new ATOM 195 N SER A 14 -9.229 -3.577 6.532 1.00 0.00 N ATOM 196 CA SER A 14 -10.143 -3.441 7.705 1.00 0.00 C ATOM 197 C SER A 14 -9.404 -2.825 8.895 1.00 0.00 C ATOM 198 O SER A 14 -9.840 -1.841 9.465 1.00 0.00 O ATOM 199 CB SER A 14 -10.581 -4.866 8.033 1.00 0.00 C ATOM 200 OG SER A 14 -10.949 -5.537 6.836 1.00 0.00 O ATOM 0 H SER A 14 -9.328 -4.444 6.004 1.00 0.00 H new ATOM 0 HA SER A 14 -10.989 -2.789 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.771 -5.402 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.422 -4.849 8.726 1.00 0.00 H new ATOM 0 HG SER A 14 -11.228 -6.452 7.047 1.00 0.00 H new ATOM 206 N VAL A 15 -8.290 -3.384 9.276 1.00 0.00 N ATOM 207 CA VAL A 15 -7.544 -2.809 10.427 1.00 0.00 C ATOM 208 C VAL A 15 -7.214 -1.345 10.139 1.00 0.00 C ATOM 209 O VAL A 15 -7.401 -0.482 10.973 1.00 0.00 O ATOM 210 CB VAL A 15 -6.279 -3.655 10.560 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.684 -5.079 10.937 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.510 -3.669 9.238 1.00 0.00 C ATOM 0 H VAL A 15 -7.868 -4.206 8.845 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.118 -2.828 11.353 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.634 -3.232 11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.792 -5.697 11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.223 -5.065 11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.327 -5.492 10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.611 -4.275 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.140 -4.091 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.230 -2.650 8.969 1.00 0.00 H new ATOM 222 N LYS A 16 -6.749 -1.049 8.958 1.00 0.00 N ATOM 223 CA LYS A 16 -6.442 0.371 8.626 1.00 0.00 C ATOM 224 C LYS A 16 -7.683 1.226 8.897 1.00 0.00 C ATOM 225 O LYS A 16 -7.652 2.155 9.675 1.00 0.00 O ATOM 226 CB LYS A 16 -6.105 0.372 7.135 1.00 0.00 C ATOM 227 CG LYS A 16 -5.632 1.767 6.721 1.00 0.00 C ATOM 228 CD LYS A 16 -5.383 1.795 5.211 1.00 0.00 C ATOM 229 CE LYS A 16 -4.801 3.154 4.812 1.00 0.00 C ATOM 230 NZ LYS A 16 -5.976 4.067 4.738 1.00 0.00 N ATOM 0 H LYS A 16 -6.569 -1.722 8.213 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.622 0.777 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.329 -0.364 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.981 0.085 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.381 2.511 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.718 2.026 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.695 0.997 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.315 1.616 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.075 3.504 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.284 3.097 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.168 4.306 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.808 3.596 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.773 4.937 5.270 1.00 0.00 H new ATOM 244 N LYS A 17 -8.782 0.902 8.267 1.00 0.00 N ATOM 245 CA LYS A 17 -10.035 1.676 8.495 1.00 0.00 C ATOM 246 C LYS A 17 -10.707 1.214 9.792 1.00 0.00 C ATOM 247 O LYS A 17 -11.847 1.537 10.062 1.00 0.00 O ATOM 248 CB LYS A 17 -10.921 1.352 7.292 1.00 0.00 C ATOM 249 CG LYS A 17 -10.237 1.828 6.010 1.00 0.00 C ATOM 250 CD LYS A 17 -11.154 1.560 4.815 1.00 0.00 C ATOM 251 CE LYS A 17 -10.430 1.940 3.522 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.174 3.123 3.005 1.00 0.00 N ATOM 0 H LYS A 17 -8.864 0.132 7.603 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.851 2.746 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.105 0.279 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.891 1.837 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.012 2.892 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.287 1.309 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.438 0.508 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.074 2.136 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.384 2.182 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.444 1.119 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.739 3.446 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.165 2.860 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.138 3.890 3.707 1.00 0.00 H new ATOM 266 N LEU A 18 -10.009 0.457 10.595 1.00 0.00 N ATOM 267 CA LEU A 18 -10.596 -0.032 11.874 1.00 0.00 C ATOM 268 C LEU A 18 -10.864 1.140 12.825 1.00 0.00 C ATOM 269 O LEU A 18 -11.837 1.152 13.552 1.00 0.00 O ATOM 270 CB LEU A 18 -9.517 -0.954 12.444 1.00 0.00 C ATOM 271 CG LEU A 18 -10.126 -1.918 13.461 1.00 0.00 C ATOM 272 CD1 LEU A 18 -9.099 -3.004 13.800 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.497 -1.156 14.734 1.00 0.00 C ATOM 0 H LEU A 18 -9.051 0.155 10.418 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.551 -0.538 11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.046 -1.516 11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.735 -0.361 12.918 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.022 -2.374 13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.527 -3.696 14.526 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.832 -3.548 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.207 -2.542 14.222 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.931 -1.846 15.458 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.603 -0.700 15.159 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.222 -0.378 14.494 1.00 0.00 H new ATOM 285 N LYS A 19 -10.001 2.121 12.830 1.00 0.00 N ATOM 286 CA LYS A 19 -10.199 3.286 13.740 1.00 0.00 C ATOM 287 C LYS A 19 -11.565 3.936 13.498 1.00 0.00 C ATOM 288 O LYS A 19 -12.310 4.198 14.422 1.00 0.00 O ATOM 289 CB LYS A 19 -9.074 4.262 13.393 1.00 0.00 C ATOM 290 CG LYS A 19 -9.094 5.433 14.380 1.00 0.00 C ATOM 291 CD LYS A 19 -7.960 6.407 14.049 1.00 0.00 C ATOM 292 CE LYS A 19 -7.897 7.500 15.119 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.462 7.563 15.516 1.00 0.00 N ATOM 0 H LYS A 19 -9.168 2.166 12.243 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.175 2.989 14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.111 3.753 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.197 4.629 12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.054 5.947 14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.983 5.064 15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.010 5.874 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.124 6.853 13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.241 8.457 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.533 7.257 15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.336 8.291 16.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.165 6.640 15.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.882 7.803 14.686 1.00 0.00 H new ATOM 307 N ASP A 20 -11.899 4.204 12.266 1.00 0.00 N ATOM 308 CA ASP A 20 -13.217 4.841 11.975 1.00 0.00 C ATOM 309 C ASP A 20 -13.909 4.127 10.811 1.00 0.00 C ATOM 310 O ASP A 20 -13.271 3.509 9.982 1.00 0.00 O ATOM 311 CB ASP A 20 -12.882 6.283 11.594 1.00 0.00 C ATOM 312 CG ASP A 20 -12.300 7.012 12.807 1.00 0.00 C ATOM 313 OD1 ASP A 20 -12.515 6.545 13.912 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.650 8.025 12.608 1.00 0.00 O ATOM 0 H ASP A 20 -11.319 4.011 11.449 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.896 4.789 12.826 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.167 6.296 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.778 6.795 11.245 1.00 0.00 H new ATOM 319 N LEU A 21 -15.209 4.213 10.741 1.00 0.00 N ATOM 320 CA LEU A 21 -15.942 3.546 9.629 1.00 0.00 C ATOM 321 C LEU A 21 -16.599 4.598 8.730 1.00 0.00 C ATOM 322 O LEU A 21 -17.394 5.401 9.179 1.00 0.00 O ATOM 323 CB LEU A 21 -17.003 2.684 10.312 1.00 0.00 C ATOM 324 CG LEU A 21 -16.329 1.733 11.304 1.00 0.00 C ATOM 325 CD1 LEU A 21 -17.301 1.409 12.441 1.00 0.00 C ATOM 326 CD2 LEU A 21 -15.940 0.440 10.584 1.00 0.00 C ATOM 0 H LEU A 21 -15.795 4.717 11.406 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.284 2.951 8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.722 3.318 10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.559 2.115 9.567 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.436 2.206 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.821 0.732 13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.581 2.329 12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.194 0.935 12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.460 -0.239 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.834 -0.033 10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.249 0.669 9.773 1.00 0.00 H new ATOM 338 N GLN A 22 -16.274 4.603 7.467 1.00 0.00 N ATOM 339 CA GLN A 22 -16.880 5.606 6.546 1.00 0.00 C ATOM 340 C GLN A 22 -17.283 4.940 5.229 1.00 0.00 C ATOM 341 O GLN A 22 -16.790 3.885 4.881 1.00 0.00 O ATOM 342 CB GLN A 22 -15.778 6.638 6.306 1.00 0.00 C ATOM 343 CG GLN A 22 -15.392 7.290 7.635 1.00 0.00 C ATOM 344 CD GLN A 22 -14.362 8.392 7.382 1.00 0.00 C ATOM 345 OE1 GLN A 22 -14.702 9.464 6.920 1.00 0.00 O ATOM 346 NE2 GLN A 22 -13.107 8.174 7.667 1.00 0.00 N ATOM 0 H GLN A 22 -15.615 3.956 7.033 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.780 6.057 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.908 6.159 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.122 7.397 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.276 7.707 8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.981 6.542 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.821 7.275 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.413 8.903 7.502 1.00 0.00 H new ATOM 355 N GLU A 23 -18.175 5.546 4.494 1.00 0.00 N ATOM 356 CA GLU A 23 -18.602 4.941 3.201 1.00 0.00 C ATOM 357 C GLU A 23 -19.055 3.493 3.424 1.00 0.00 C ATOM 358 O GLU A 23 -19.022 3.003 4.535 1.00 0.00 O ATOM 359 CB GLU A 23 -17.354 4.989 2.320 1.00 0.00 C ATOM 360 CG GLU A 23 -17.602 5.931 1.140 1.00 0.00 C ATOM 361 CD GLU A 23 -16.638 5.585 0.003 1.00 0.00 C ATOM 362 OE1 GLU A 23 -16.873 4.592 -0.664 1.00 0.00 O ATOM 363 OE2 GLU A 23 -15.683 6.322 -0.181 1.00 0.00 O ATOM 0 H GLU A 23 -18.625 6.430 4.732 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.441 5.468 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.498 5.333 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.112 3.990 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.633 5.840 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.459 6.966 1.450 1.00 0.00 H new ATOM 370 N PRO A 24 -19.465 2.852 2.359 1.00 0.00 N ATOM 371 CA PRO A 24 -19.928 1.449 2.447 1.00 0.00 C ATOM 372 C PRO A 24 -18.824 0.553 3.017 1.00 0.00 C ATOM 373 O PRO A 24 -17.726 0.997 3.284 1.00 0.00 O ATOM 374 CB PRO A 24 -20.231 1.102 0.987 1.00 0.00 C ATOM 375 CG PRO A 24 -19.933 2.337 0.114 1.00 0.00 C ATOM 376 CD PRO A 24 -19.485 3.491 1.022 1.00 0.00 C ATOM 0 HA PRO A 24 -20.786 1.309 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.623 0.256 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.274 0.805 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.155 2.106 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.821 2.624 -0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.504 3.873 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.178 4.331 0.983 1.00 0.00 H new ATOM 384 N GLN A 25 -19.112 -0.706 3.210 1.00 0.00 N ATOM 385 CA GLN A 25 -18.084 -1.630 3.768 1.00 0.00 C ATOM 386 C GLN A 25 -16.716 -1.354 3.138 1.00 0.00 C ATOM 387 O GLN A 25 -15.899 -0.644 3.692 1.00 0.00 O ATOM 388 CB GLN A 25 -18.575 -3.032 3.405 1.00 0.00 C ATOM 389 CG GLN A 25 -19.859 -3.333 4.184 1.00 0.00 C ATOM 390 CD GLN A 25 -20.361 -4.735 3.830 1.00 0.00 C ATOM 391 OE1 GLN A 25 -19.913 -5.328 2.869 1.00 0.00 O ATOM 392 NE2 GLN A 25 -21.279 -5.292 4.572 1.00 0.00 N ATOM 0 H GLN A 25 -20.015 -1.134 3.005 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.961 -1.507 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.762 -3.099 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.810 -3.771 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.670 -3.264 5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.622 -2.592 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.655 -4.793 5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.621 -6.226 4.345 1.00 0.00 H new ATOM 401 N GLU A 26 -16.457 -1.906 1.985 1.00 0.00 N ATOM 402 CA GLU A 26 -15.139 -1.672 1.327 1.00 0.00 C ATOM 403 C GLU A 26 -15.340 -1.222 -0.124 1.00 0.00 C ATOM 404 O GLU A 26 -15.206 -2.008 -1.042 1.00 0.00 O ATOM 405 CB GLU A 26 -14.426 -3.023 1.375 1.00 0.00 C ATOM 406 CG GLU A 26 -14.021 -3.333 2.818 1.00 0.00 C ATOM 407 CD GLU A 26 -14.236 -4.821 3.101 1.00 0.00 C ATOM 408 OE1 GLU A 26 -13.359 -5.601 2.765 1.00 0.00 O ATOM 409 OE2 GLU A 26 -15.273 -5.156 3.650 1.00 0.00 O ATOM 0 H GLU A 26 -17.099 -2.508 1.470 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.565 -0.890 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.081 -3.806 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.544 -3.004 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.976 -3.069 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.611 -2.732 3.510 1.00 0.00 H new ATOM 416 N PRO A 27 -15.655 0.036 -0.284 1.00 0.00 N ATOM 417 CA PRO A 27 -15.878 0.609 -1.633 1.00 0.00 C ATOM 418 C PRO A 27 -14.589 0.552 -2.462 1.00 0.00 C ATOM 419 O PRO A 27 -13.524 0.902 -1.994 1.00 0.00 O ATOM 420 CB PRO A 27 -16.264 2.058 -1.323 1.00 0.00 C ATOM 421 CG PRO A 27 -16.246 2.259 0.207 1.00 0.00 C ATOM 422 CD PRO A 27 -15.807 0.948 0.873 1.00 0.00 C ATOM 0 HA PRO A 27 -16.630 0.077 -2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.567 2.745 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -17.254 2.279 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.562 3.065 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -17.235 2.549 0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.873 1.065 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.551 0.584 1.582 1.00 0.00 H new ATOM 430 N ARG A 28 -14.679 0.117 -3.690 1.00 0.00 N ATOM 431 CA ARG A 28 -13.461 0.041 -4.548 1.00 0.00 C ATOM 432 C ARG A 28 -12.276 -0.499 -3.741 1.00 0.00 C ATOM 433 O ARG A 28 -11.509 0.250 -3.168 1.00 0.00 O ATOM 434 CB ARG A 28 -13.197 1.481 -4.989 1.00 0.00 C ATOM 435 CG ARG A 28 -12.032 1.508 -5.980 1.00 0.00 C ATOM 436 CD ARG A 28 -12.488 0.920 -7.317 1.00 0.00 C ATOM 437 NE ARG A 28 -11.260 0.895 -8.162 1.00 0.00 N ATOM 438 CZ ARG A 28 -11.302 0.376 -9.359 1.00 0.00 C ATOM 439 NH1 ARG A 28 -11.692 -0.859 -9.522 1.00 0.00 N ATOM 440 NH2 ARG A 28 -10.954 1.091 -10.394 1.00 0.00 N ATOM 0 H ARG A 28 -15.544 -0.189 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.596 -0.628 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.091 1.900 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.965 2.101 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.683 2.531 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.192 0.936 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.900 -0.081 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.268 1.530 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.387 1.283 -7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.964 -1.419 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.725 -1.264 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.649 2.056 -10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.987 0.685 -11.329 1.00 0.00 H new ATOM 454 N VAL A 29 -12.120 -1.793 -3.694 1.00 0.00 N ATOM 455 CA VAL A 29 -10.986 -2.382 -2.924 1.00 0.00 C ATOM 456 C VAL A 29 -9.698 -1.596 -3.191 1.00 0.00 C ATOM 457 O VAL A 29 -9.279 -1.439 -4.320 1.00 0.00 O ATOM 458 CB VAL A 29 -10.855 -3.814 -3.446 1.00 0.00 C ATOM 459 CG1 VAL A 29 -10.698 -3.790 -4.967 1.00 0.00 C ATOM 460 CG2 VAL A 29 -9.629 -4.477 -2.818 1.00 0.00 C ATOM 0 H VAL A 29 -12.728 -2.469 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.159 -2.352 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.749 -4.379 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.605 -4.810 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.572 -3.319 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.805 -3.224 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.536 -5.497 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.735 -3.912 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.740 -4.495 -1.734 1.00 0.00 H new ATOM 470 N GLY A 30 -9.068 -1.104 -2.159 1.00 0.00 N ATOM 471 CA GLY A 30 -7.809 -0.332 -2.353 1.00 0.00 C ATOM 472 C GLY A 30 -6.633 -1.302 -2.484 1.00 0.00 C ATOM 473 O GLY A 30 -6.202 -1.904 -1.520 1.00 0.00 O ATOM 0 H GLY A 30 -9.371 -1.204 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.884 0.289 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.648 0.340 -1.510 1.00 0.00 H new ATOM 477 N LYS A 31 -6.112 -1.460 -3.669 1.00 0.00 N ATOM 478 CA LYS A 31 -4.966 -2.394 -3.863 1.00 0.00 C ATOM 479 C LYS A 31 -3.763 -1.947 -3.027 1.00 0.00 C ATOM 480 O LYS A 31 -2.949 -2.749 -2.615 1.00 0.00 O ATOM 481 CB LYS A 31 -4.637 -2.311 -5.353 1.00 0.00 C ATOM 482 CG LYS A 31 -5.816 -2.842 -6.171 1.00 0.00 C ATOM 483 CD LYS A 31 -5.440 -2.862 -7.653 1.00 0.00 C ATOM 484 CE LYS A 31 -6.662 -3.263 -8.483 1.00 0.00 C ATOM 485 NZ LYS A 31 -6.302 -2.919 -9.888 1.00 0.00 N ATOM 0 H LYS A 31 -6.430 -0.983 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.208 -3.410 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.424 -1.279 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.740 -2.891 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.081 -3.846 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.693 -2.213 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.083 -1.879 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.625 -3.565 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.878 -4.326 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.553 -2.724 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.091 -3.165 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.108 -1.900 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.455 -3.452 -10.170 1.00 0.00 H new ATOM 499 N LEU A 32 -3.639 -0.671 -2.779 1.00 0.00 N ATOM 500 CA LEU A 32 -2.481 -0.178 -1.979 1.00 0.00 C ATOM 501 C LEU A 32 -2.948 0.361 -0.624 1.00 0.00 C ATOM 502 O LEU A 32 -3.915 1.090 -0.532 1.00 0.00 O ATOM 503 CB LEU A 32 -1.874 0.945 -2.819 1.00 0.00 C ATOM 504 CG LEU A 32 -1.519 0.408 -4.208 1.00 0.00 C ATOM 505 CD1 LEU A 32 -0.814 1.502 -5.012 1.00 0.00 C ATOM 506 CD2 LEU A 32 -0.591 -0.799 -4.067 1.00 0.00 C ATOM 0 H LEU A 32 -4.288 0.050 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.764 -0.971 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.580 1.771 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.982 1.338 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.430 0.107 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.561 1.121 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.475 2.363 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.097 1.803 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.338 -1.181 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.321 -0.499 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.093 -1.579 -3.494 1.00 0.00 H new ATOM 518 N ARG A 33 -2.255 0.013 0.427 1.00 0.00 N ATOM 519 CA ARG A 33 -2.638 0.507 1.781 1.00 0.00 C ATOM 520 C ARG A 33 -1.454 1.256 2.402 1.00 0.00 C ATOM 521 O ARG A 33 -0.327 0.812 2.328 1.00 0.00 O ATOM 522 CB ARG A 33 -2.963 -0.752 2.588 1.00 0.00 C ATOM 523 CG ARG A 33 -3.834 -1.690 1.748 1.00 0.00 C ATOM 524 CD ARG A 33 -4.011 -3.017 2.489 1.00 0.00 C ATOM 525 NE ARG A 33 -4.553 -3.958 1.468 1.00 0.00 N ATOM 526 CZ ARG A 33 -3.782 -4.874 0.948 1.00 0.00 C ATOM 527 NH1 ARG A 33 -3.206 -4.664 -0.204 1.00 0.00 N ATOM 528 NH2 ARG A 33 -3.588 -5.999 1.579 1.00 0.00 N ATOM 0 H ARG A 33 -1.436 -0.595 0.406 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.483 1.195 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.042 -1.258 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.483 -0.483 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.806 -1.232 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.371 -1.862 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.063 -3.374 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.695 -2.911 3.331 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.527 -3.886 1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.358 -3.784 -0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.603 -5.379 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.039 -6.163 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.985 -6.715 1.172 1.00 0.00 H new ATOM 542 N ASN A 34 -1.689 2.392 3.004 1.00 0.00 N ATOM 543 CA ASN A 34 -0.551 3.146 3.606 1.00 0.00 C ATOM 544 C ASN A 34 -1.030 4.115 4.689 1.00 0.00 C ATOM 545 O ASN A 34 -0.704 3.972 5.851 1.00 0.00 O ATOM 546 CB ASN A 34 0.067 3.917 2.439 1.00 0.00 C ATOM 547 CG ASN A 34 1.466 4.399 2.829 1.00 0.00 C ATOM 548 OD1 ASN A 34 1.913 4.175 3.936 1.00 0.00 O ATOM 549 ND2 ASN A 34 2.181 5.059 1.959 1.00 0.00 N ATOM 0 H ASN A 34 -2.607 2.826 3.104 1.00 0.00 H new ATOM 0 HA ASN A 34 0.160 2.477 4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.123 3.279 1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.562 4.768 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.114 5.386 2.209 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.807 5.248 1.029 1.00 0.00 H new ATOM 556 N PHE A 35 -1.777 5.112 4.312 1.00 0.00 N ATOM 557 CA PHE A 35 -2.261 6.114 5.311 1.00 0.00 C ATOM 558 C PHE A 35 -3.084 5.444 6.417 1.00 0.00 C ATOM 559 O PHE A 35 -4.282 5.627 6.507 1.00 0.00 O ATOM 560 CB PHE A 35 -3.131 7.082 4.511 1.00 0.00 C ATOM 561 CG PHE A 35 -2.836 8.497 4.946 1.00 0.00 C ATOM 562 CD1 PHE A 35 -3.162 8.913 6.243 1.00 0.00 C ATOM 563 CD2 PHE A 35 -2.235 9.393 4.054 1.00 0.00 C ATOM 564 CE1 PHE A 35 -2.886 10.224 6.648 1.00 0.00 C ATOM 565 CE2 PHE A 35 -1.960 10.705 4.458 1.00 0.00 C ATOM 566 CZ PHE A 35 -2.285 11.121 5.756 1.00 0.00 C ATOM 0 H PHE A 35 -2.077 5.281 3.352 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.432 6.616 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.934 6.969 3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.186 6.854 4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.626 8.222 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.983 9.072 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.137 10.544 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.497 11.396 3.769 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.072 12.133 6.068 1.00 0.00 H new ATOM 576 N ALA A 36 -2.451 4.685 7.269 1.00 0.00 N ATOM 577 CA ALA A 36 -3.200 4.025 8.376 1.00 0.00 C ATOM 578 C ALA A 36 -3.432 5.025 9.515 1.00 0.00 C ATOM 579 O ALA A 36 -2.780 6.048 9.579 1.00 0.00 O ATOM 580 CB ALA A 36 -2.299 2.879 8.839 1.00 0.00 C ATOM 0 H ALA A 36 -1.449 4.493 7.247 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.179 3.665 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.783 2.343 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.125 2.195 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.346 3.281 9.183 1.00 0.00 H new ATOM 586 N PRO A 37 -4.356 4.697 10.381 1.00 0.00 N ATOM 587 CA PRO A 37 -4.679 5.577 11.530 1.00 0.00 C ATOM 588 C PRO A 37 -3.487 5.682 12.489 1.00 0.00 C ATOM 589 O PRO A 37 -3.530 6.404 13.465 1.00 0.00 O ATOM 590 CB PRO A 37 -5.850 4.848 12.192 1.00 0.00 C ATOM 591 CG PRO A 37 -6.152 3.567 11.391 1.00 0.00 C ATOM 592 CD PRO A 37 -5.129 3.440 10.254 1.00 0.00 C ATOM 0 HA PRO A 37 -4.914 6.601 11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.605 4.599 13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.729 5.492 12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.102 2.694 12.042 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.163 3.605 10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.497 2.560 10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.612 3.356 9.280 1.00 0.00 H new ATOM 600 N ILE A 38 -2.428 4.964 12.223 1.00 0.00 N ATOM 601 CA ILE A 38 -1.234 5.019 13.118 1.00 0.00 C ATOM 602 C ILE A 38 -1.536 4.314 14.447 1.00 0.00 C ATOM 603 O ILE A 38 -2.474 4.668 15.134 1.00 0.00 O ATOM 604 CB ILE A 38 -0.966 6.508 13.354 1.00 0.00 C ATOM 605 CG1 ILE A 38 -1.068 7.271 12.031 1.00 0.00 C ATOM 606 CG2 ILE A 38 0.441 6.683 13.932 1.00 0.00 C ATOM 607 CD1 ILE A 38 -1.706 8.639 12.283 1.00 0.00 C ATOM 0 H ILE A 38 -2.338 4.339 11.422 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.372 4.519 12.676 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.705 6.900 14.053 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.078 7.394 11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.665 6.705 11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.636 7.742 14.101 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.516 6.145 14.877 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.175 6.287 13.230 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.780 9.185 11.342 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.703 8.504 12.703 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.091 9.204 12.983 1.00 0.00 H new ATOM 619 N PRO A 39 -0.728 3.336 14.768 1.00 0.00 N ATOM 620 CA PRO A 39 -0.909 2.574 16.026 1.00 0.00 C ATOM 621 C PRO A 39 -0.761 3.495 17.240 1.00 0.00 C ATOM 622 O PRO A 39 -0.560 4.686 17.107 1.00 0.00 O ATOM 623 CB PRO A 39 0.230 1.552 15.968 1.00 0.00 C ATOM 624 CG PRO A 39 1.027 1.773 14.668 1.00 0.00 C ATOM 625 CD PRO A 39 0.403 2.943 13.896 1.00 0.00 C ATOM 0 HA PRO A 39 -1.893 2.116 16.122 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.882 1.663 16.834 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.170 0.538 15.998 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.071 1.987 14.897 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.013 0.869 14.059 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.111 3.760 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.065 2.641 12.905 1.00 0.00 H new ATOM 633 N GLY A 40 -0.861 2.953 18.423 1.00 0.00 N ATOM 634 CA GLY A 40 -0.726 3.795 19.643 1.00 0.00 C ATOM 635 C GLY A 40 -2.113 4.059 20.235 1.00 0.00 C ATOM 636 O GLY A 40 -2.282 4.910 21.086 1.00 0.00 O ATOM 0 H GLY A 40 -1.031 1.962 18.596 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.095 3.293 20.377 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.239 4.738 19.395 1.00 0.00 H new ATOM 640 N GLU A 41 -3.105 3.337 19.792 1.00 0.00 N ATOM 641 CA GLU A 41 -4.478 3.548 20.332 1.00 0.00 C ATOM 642 C GLU A 41 -5.125 2.201 20.671 1.00 0.00 C ATOM 643 O GLU A 41 -6.083 1.798 20.042 1.00 0.00 O ATOM 644 CB GLU A 41 -5.242 4.246 19.206 1.00 0.00 C ATOM 645 CG GLU A 41 -5.104 3.432 17.917 1.00 0.00 C ATOM 646 CD GLU A 41 -6.469 3.322 17.236 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.415 3.899 17.748 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.547 2.662 16.212 1.00 0.00 O ATOM 0 H GLU A 41 -3.025 2.611 19.080 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.477 4.138 21.249 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.294 4.348 19.474 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.852 5.253 19.057 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.389 3.910 17.247 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.716 2.438 18.141 1.00 0.00 H new ATOM 655 N PRO A 42 -4.572 1.546 21.658 1.00 0.00 N ATOM 656 CA PRO A 42 -5.090 0.229 22.092 1.00 0.00 C ATOM 657 C PRO A 42 -6.533 0.352 22.590 1.00 0.00 C ATOM 658 O PRO A 42 -6.868 1.251 23.337 1.00 0.00 O ATOM 659 CB PRO A 42 -4.143 -0.145 23.235 1.00 0.00 C ATOM 660 CG PRO A 42 -3.108 0.985 23.411 1.00 0.00 C ATOM 661 CD PRO A 42 -3.403 2.090 22.387 1.00 0.00 C ATOM 0 HA PRO A 42 -5.117 -0.514 21.295 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.704 -0.290 24.158 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.640 -1.087 23.016 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.156 1.386 24.423 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.099 0.598 23.269 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.632 3.040 22.870 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.556 2.265 21.723 1.00 0.00 H new ATOM 669 N VAL A 43 -7.388 -0.546 22.185 1.00 0.00 N ATOM 670 CA VAL A 43 -8.808 -0.485 22.635 1.00 0.00 C ATOM 671 C VAL A 43 -9.612 -1.620 21.995 1.00 0.00 C ATOM 672 O VAL A 43 -10.154 -1.478 20.917 1.00 0.00 O ATOM 673 CB VAL A 43 -9.320 0.874 22.156 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.008 1.041 20.667 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.833 0.956 22.373 1.00 0.00 C ATOM 0 H VAL A 43 -7.165 -1.321 21.561 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.905 -0.596 23.715 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.829 1.666 22.721 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.373 2.010 20.325 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.931 0.984 20.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.498 0.249 20.101 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.198 1.925 22.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.325 0.164 21.809 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.055 0.838 23.434 1.00 0.00 H new ATOM 685 N VAL A 44 -9.691 -2.745 22.650 1.00 0.00 N ATOM 686 CA VAL A 44 -10.459 -3.888 22.078 1.00 0.00 C ATOM 687 C VAL A 44 -11.366 -4.504 23.148 1.00 0.00 C ATOM 688 O VAL A 44 -11.197 -5.648 23.524 1.00 0.00 O ATOM 689 CB VAL A 44 -9.395 -4.889 21.626 1.00 0.00 C ATOM 690 CG1 VAL A 44 -8.795 -5.591 22.846 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.031 -5.928 20.701 1.00 0.00 C ATOM 0 H VAL A 44 -9.258 -2.923 23.556 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.106 -3.584 21.255 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.607 -4.359 21.091 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.037 -6.303 22.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.338 -4.851 23.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.581 -6.119 23.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.272 -6.641 20.379 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.821 -6.455 21.235 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.453 -5.429 19.829 1.00 0.00 H new ATOM 701 N PRO A 45 -12.308 -3.722 23.603 1.00 0.00 N ATOM 702 CA PRO A 45 -13.258 -4.190 24.638 1.00 0.00 C ATOM 703 C PRO A 45 -14.033 -5.413 24.140 1.00 0.00 C ATOM 704 O PRO A 45 -14.122 -5.662 22.955 1.00 0.00 O ATOM 705 CB PRO A 45 -14.181 -2.981 24.816 1.00 0.00 C ATOM 706 CG PRO A 45 -13.715 -1.858 23.866 1.00 0.00 C ATOM 707 CD PRO A 45 -12.474 -2.337 23.105 1.00 0.00 C ATOM 0 HA PRO A 45 -12.780 -4.504 25.566 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.212 -3.258 24.597 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.156 -2.636 25.850 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.511 -1.601 23.167 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.485 -0.956 24.433 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.624 -2.309 22.026 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.602 -1.720 23.322 1.00 0.00 H new ATOM 715 N ILE A 46 -14.590 -6.178 25.037 1.00 0.00 N ATOM 716 CA ILE A 46 -15.356 -7.385 24.612 1.00 0.00 C ATOM 717 C ILE A 46 -16.324 -7.024 23.482 1.00 0.00 C ATOM 718 O ILE A 46 -16.568 -7.805 22.584 1.00 0.00 O ATOM 719 CB ILE A 46 -16.122 -7.826 25.859 1.00 0.00 C ATOM 720 CG1 ILE A 46 -15.131 -8.230 26.952 1.00 0.00 C ATOM 721 CG2 ILE A 46 -17.013 -9.020 25.514 1.00 0.00 C ATOM 722 CD1 ILE A 46 -15.895 -8.589 28.228 1.00 0.00 C ATOM 0 H ILE A 46 -14.549 -6.021 26.044 1.00 0.00 H new ATOM 0 HA ILE A 46 -14.708 -8.176 24.233 1.00 0.00 H new ATOM 0 HB ILE A 46 -16.739 -7.001 26.215 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.535 -9.081 26.621 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.437 -7.412 27.149 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -17.560 -9.335 26.403 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -17.720 -8.733 24.736 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -16.395 -9.844 25.157 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.188 -8.877 29.006 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -16.471 -7.726 28.562 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -16.571 -9.420 28.026 1.00 0.00 H new ATOM 734 N LEU A 47 -16.878 -5.842 23.520 1.00 0.00 N ATOM 735 CA LEU A 47 -17.828 -5.430 22.448 1.00 0.00 C ATOM 736 C LEU A 47 -17.060 -4.833 21.266 1.00 0.00 C ATOM 737 O LEU A 47 -17.639 -4.421 20.281 1.00 0.00 O ATOM 738 CB LEU A 47 -18.725 -4.374 23.096 1.00 0.00 C ATOM 739 CG LEU A 47 -19.583 -5.028 24.182 1.00 0.00 C ATOM 740 CD1 LEU A 47 -20.208 -6.314 23.636 1.00 0.00 C ATOM 741 CD2 LEU A 47 -18.707 -5.361 25.391 1.00 0.00 C ATOM 0 H LEU A 47 -16.714 -5.145 24.246 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.405 -6.270 22.061 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.116 -3.580 23.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.363 -3.912 22.343 1.00 0.00 H new ATOM 0 HG LEU A 47 -20.373 -4.340 24.483 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.819 -6.779 24.410 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.832 -6.078 22.774 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.419 -7.003 23.334 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.317 -5.827 26.165 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.917 -6.048 25.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -18.262 -4.446 25.781 1.00 0.00 H new ATOM 753 N CYS A 48 -15.757 -4.785 21.359 1.00 0.00 N ATOM 754 CA CYS A 48 -14.944 -4.217 20.244 1.00 0.00 C ATOM 755 C CYS A 48 -15.346 -2.762 19.984 1.00 0.00 C ATOM 756 O CYS A 48 -16.512 -2.437 19.880 1.00 0.00 O ATOM 757 CB CYS A 48 -15.256 -5.097 19.033 1.00 0.00 C ATOM 758 SG CYS A 48 -14.644 -6.773 19.339 1.00 0.00 S ATOM 0 H CYS A 48 -15.220 -5.115 22.161 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.878 -4.210 20.470 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.330 -5.117 18.851 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.789 -4.684 18.139 1.00 0.00 H new ATOM 763 N SER A 49 -14.387 -1.883 19.890 1.00 0.00 N ATOM 764 CA SER A 49 -14.706 -0.447 19.650 1.00 0.00 C ATOM 765 C SER A 49 -15.434 -0.265 18.319 1.00 0.00 C ATOM 766 O SER A 49 -16.539 0.236 18.270 1.00 0.00 O ATOM 767 CB SER A 49 -13.349 0.254 19.616 1.00 0.00 C ATOM 768 OG SER A 49 -12.682 0.050 20.852 1.00 0.00 O ATOM 0 H SER A 49 -13.393 -2.098 19.969 1.00 0.00 H new ATOM 0 HA SER A 49 -15.363 -0.042 20.419 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.746 -0.136 18.796 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.483 1.320 19.434 1.00 0.00 H new ATOM 0 HG SER A 49 -13.237 0.393 21.584 1.00 0.00 H new ATOM 774 N ASN A 50 -14.822 -0.659 17.241 1.00 0.00 N ATOM 775 CA ASN A 50 -15.476 -0.501 15.910 1.00 0.00 C ATOM 776 C ASN A 50 -16.493 -1.624 15.677 1.00 0.00 C ATOM 777 O ASN A 50 -16.123 -2.774 15.541 1.00 0.00 O ATOM 778 CB ASN A 50 -14.333 -0.596 14.899 1.00 0.00 C ATOM 779 CG ASN A 50 -14.325 0.653 14.017 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.101 0.570 12.826 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.563 1.819 14.556 1.00 0.00 N ATOM 0 H ASN A 50 -13.895 -1.085 17.221 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.021 0.439 15.827 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.380 -0.692 15.420 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.451 -1.488 14.283 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.561 2.659 13.977 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.751 1.890 15.556 1.00 0.00 H new ATOM 788 N PRO A 51 -17.750 -1.254 15.628 1.00 0.00 N ATOM 789 CA PRO A 51 -18.830 -2.243 15.402 1.00 0.00 C ATOM 790 C PRO A 51 -18.652 -2.926 14.044 1.00 0.00 C ATOM 791 O PRO A 51 -19.347 -3.866 13.714 1.00 0.00 O ATOM 792 CB PRO A 51 -20.091 -1.375 15.417 1.00 0.00 C ATOM 793 CG PRO A 51 -19.681 0.091 15.657 1.00 0.00 C ATOM 794 CD PRO A 51 -18.155 0.162 15.795 1.00 0.00 C ATOM 0 HA PRO A 51 -18.852 -3.045 16.140 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.624 -1.468 14.471 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.771 -1.710 16.200 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.014 0.716 14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.160 0.474 16.558 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.709 0.804 15.035 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.853 0.558 16.765 1.00 0.00 H new ATOM 802 N ASN A 52 -17.726 -2.459 13.254 1.00 0.00 N ATOM 803 CA ASN A 52 -17.503 -3.081 11.922 1.00 0.00 C ATOM 804 C ASN A 52 -16.006 -3.275 11.673 1.00 0.00 C ATOM 805 O ASN A 52 -15.517 -3.070 10.580 1.00 0.00 O ATOM 806 CB ASN A 52 -18.093 -2.089 10.920 1.00 0.00 C ATOM 807 CG ASN A 52 -19.608 -2.006 11.117 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.200 -2.867 11.736 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.264 -0.996 10.612 1.00 0.00 N ATOM 0 H ASN A 52 -17.114 -1.673 13.474 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.966 -4.065 11.841 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.643 -1.106 11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.865 -2.405 9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.274 -0.930 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.766 -0.273 10.092 1.00 0.00 H new ATOM 816 N PHE A 53 -15.275 -3.684 12.676 1.00 0.00 N ATOM 817 CA PHE A 53 -13.813 -3.906 12.485 1.00 0.00 C ATOM 818 C PHE A 53 -13.601 -5.263 11.815 1.00 0.00 C ATOM 819 O PHE A 53 -14.553 -5.981 11.584 1.00 0.00 O ATOM 820 CB PHE A 53 -13.212 -3.877 13.899 1.00 0.00 C ATOM 821 CG PHE A 53 -13.257 -5.257 14.519 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.470 -5.949 14.598 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.084 -5.841 15.021 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.515 -7.223 15.176 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.129 -7.118 15.599 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.344 -7.807 15.676 1.00 0.00 C ATOM 0 H PHE A 53 -15.626 -3.873 13.615 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.343 -3.155 11.849 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.182 -3.524 13.856 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.764 -3.173 14.522 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.373 -5.500 14.212 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.147 -5.307 14.962 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.453 -7.756 15.236 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.226 -7.569 15.984 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.379 -8.790 16.121 1.00 0.00 H new ATOM 836 N PRO A 54 -12.370 -5.583 11.526 1.00 0.00 N ATOM 837 CA PRO A 54 -12.066 -6.876 10.883 1.00 0.00 C ATOM 838 C PRO A 54 -12.582 -8.012 11.768 1.00 0.00 C ATOM 839 O PRO A 54 -11.830 -8.678 12.450 1.00 0.00 O ATOM 840 CB PRO A 54 -10.538 -6.861 10.799 1.00 0.00 C ATOM 841 CG PRO A 54 -10.026 -5.532 11.393 1.00 0.00 C ATOM 842 CD PRO A 54 -11.231 -4.686 11.825 1.00 0.00 C ATOM 0 HA PRO A 54 -12.529 -7.022 9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.121 -7.706 11.347 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.215 -6.962 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.376 -5.726 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.432 -4.993 10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.186 -4.424 12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.292 -3.751 11.268 1.00 0.00 H new ATOM 850 N GLU A 55 -13.873 -8.208 11.776 1.00 0.00 N ATOM 851 CA GLU A 55 -14.467 -9.272 12.632 1.00 0.00 C ATOM 852 C GLU A 55 -13.582 -10.516 12.621 1.00 0.00 C ATOM 853 O GLU A 55 -13.520 -11.248 13.588 1.00 0.00 O ATOM 854 CB GLU A 55 -15.831 -9.557 12.011 1.00 0.00 C ATOM 855 CG GLU A 55 -16.579 -10.573 12.874 1.00 0.00 C ATOM 856 CD GLU A 55 -17.900 -10.940 12.197 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.139 -10.449 11.106 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.650 -11.705 12.780 1.00 0.00 O ATOM 0 H GLU A 55 -14.544 -7.674 11.224 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.556 -8.969 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.407 -8.635 11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.709 -9.943 10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.970 -11.466 13.015 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.768 -10.157 13.864 1.00 0.00 H new ATOM 865 N GLU A 56 -12.874 -10.754 11.553 1.00 0.00 N ATOM 866 CA GLU A 56 -11.978 -11.942 11.525 1.00 0.00 C ATOM 867 C GLU A 56 -11.093 -11.912 12.774 1.00 0.00 C ATOM 868 O GLU A 56 -10.565 -12.916 13.207 1.00 0.00 O ATOM 869 CB GLU A 56 -11.139 -11.785 10.255 1.00 0.00 C ATOM 870 CG GLU A 56 -12.062 -11.759 9.036 1.00 0.00 C ATOM 871 CD GLU A 56 -11.220 -11.684 7.760 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.025 -11.466 7.875 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.784 -11.845 6.691 1.00 0.00 O ATOM 0 H GLU A 56 -12.876 -10.184 10.707 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.517 -12.889 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.556 -10.865 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.430 -12.608 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.687 -12.652 9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.733 -10.902 9.093 1.00 0.00 H new ATOM 880 N LEU A 57 -10.949 -10.754 13.363 1.00 0.00 N ATOM 881 CA LEU A 57 -10.122 -10.626 14.596 1.00 0.00 C ATOM 882 C LEU A 57 -10.986 -10.918 15.826 1.00 0.00 C ATOM 883 O LEU A 57 -10.580 -10.701 16.954 1.00 0.00 O ATOM 884 CB LEU A 57 -9.646 -9.174 14.608 1.00 0.00 C ATOM 885 CG LEU A 57 -8.848 -8.887 13.336 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.309 -7.455 13.382 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.679 -9.868 13.236 1.00 0.00 C ATOM 0 H LEU A 57 -11.373 -9.885 13.039 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.285 -11.324 14.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.501 -8.501 14.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.028 -8.990 15.487 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.496 -9.003 12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.740 -7.251 12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.141 -6.755 13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.661 -7.338 14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.109 -9.664 12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.031 -9.752 14.105 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.062 -10.888 13.202 1.00 0.00 H new ATOM 899 N LYS A 58 -12.179 -11.410 15.615 1.00 0.00 N ATOM 900 CA LYS A 58 -13.080 -11.722 16.761 1.00 0.00 C ATOM 901 C LYS A 58 -12.284 -12.341 17.913 1.00 0.00 C ATOM 902 O LYS A 58 -12.383 -11.888 19.038 1.00 0.00 O ATOM 903 CB LYS A 58 -14.091 -12.727 16.209 1.00 0.00 C ATOM 904 CG LYS A 58 -15.508 -12.271 16.561 1.00 0.00 C ATOM 905 CD LYS A 58 -16.520 -13.275 16.006 1.00 0.00 C ATOM 906 CE LYS A 58 -16.326 -14.628 16.696 1.00 0.00 C ATOM 907 NZ LYS A 58 -15.592 -15.461 15.702 1.00 0.00 N ATOM 0 H LYS A 58 -12.568 -11.610 14.694 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.565 -10.829 17.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.983 -12.811 15.128 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.902 -13.716 16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.617 -12.189 17.642 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.697 -11.281 16.146 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.535 -12.913 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.390 -13.382 14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.758 -14.523 17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.283 -15.078 16.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.850 -16.005 16.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.255 -16.115 15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.158 -14.845 14.985 1.00 0.00 H new ATOM 921 N PRO A 59 -11.514 -13.354 17.606 1.00 0.00 N ATOM 922 CA PRO A 59 -10.699 -14.018 18.643 1.00 0.00 C ATOM 923 C PRO A 59 -9.823 -12.991 19.365 1.00 0.00 C ATOM 924 O PRO A 59 -9.696 -13.015 20.573 1.00 0.00 O ATOM 925 CB PRO A 59 -9.863 -15.012 17.832 1.00 0.00 C ATOM 926 CG PRO A 59 -10.251 -14.883 16.346 1.00 0.00 C ATOM 927 CD PRO A 59 -11.410 -13.885 16.225 1.00 0.00 C ATOM 0 HA PRO A 59 -11.282 -14.503 19.426 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.800 -14.809 17.965 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.039 -16.029 18.182 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.397 -14.543 15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.545 -15.854 15.947 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.196 -13.098 15.502 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.332 -14.370 15.905 1.00 0.00 H new ATOM 935 N LEU A 60 -9.218 -12.085 18.642 1.00 0.00 N ATOM 936 CA LEU A 60 -8.362 -11.068 19.309 1.00 0.00 C ATOM 937 C LEU A 60 -9.182 -10.282 20.333 1.00 0.00 C ATOM 938 O LEU A 60 -8.736 -10.025 21.433 1.00 0.00 O ATOM 939 CB LEU A 60 -7.882 -10.153 18.183 1.00 0.00 C ATOM 940 CG LEU A 60 -6.658 -10.777 17.510 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.116 -11.864 16.536 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.891 -9.696 16.746 1.00 0.00 C ATOM 0 H LEU A 60 -9.280 -12.008 17.627 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.528 -11.517 19.848 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.678 -10.008 17.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.631 -9.170 18.580 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.008 -11.216 18.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.246 -12.311 16.054 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.664 -12.633 17.080 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.764 -11.424 15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.019 -10.139 16.266 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.539 -9.258 15.987 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.568 -8.920 17.440 1.00 0.00 H new ATOM 954 N CYS A 61 -10.383 -9.904 19.991 1.00 0.00 N ATOM 955 CA CYS A 61 -11.224 -9.143 20.959 1.00 0.00 C ATOM 956 C CYS A 61 -11.509 -9.998 22.196 1.00 0.00 C ATOM 957 O CYS A 61 -11.728 -9.488 23.279 1.00 0.00 O ATOM 958 CB CYS A 61 -12.520 -8.844 20.204 1.00 0.00 C ATOM 959 SG CYS A 61 -13.299 -7.363 20.897 1.00 0.00 S ATOM 0 H CYS A 61 -10.818 -10.088 19.087 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.735 -8.233 21.307 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.310 -8.695 19.145 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.200 -9.693 20.277 1.00 0.00 H new ATOM 964 N LYS A 62 -11.516 -11.294 22.046 1.00 0.00 N ATOM 965 CA LYS A 62 -11.798 -12.179 23.212 1.00 0.00 C ATOM 966 C LYS A 62 -10.503 -12.553 23.939 1.00 0.00 C ATOM 967 O LYS A 62 -10.528 -13.203 24.966 1.00 0.00 O ATOM 968 CB LYS A 62 -12.454 -13.423 22.613 1.00 0.00 C ATOM 969 CG LYS A 62 -13.815 -13.045 22.027 1.00 0.00 C ATOM 970 CD LYS A 62 -14.551 -14.312 21.587 1.00 0.00 C ATOM 971 CE LYS A 62 -15.848 -13.924 20.873 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.920 -14.654 21.604 1.00 0.00 N ATOM 0 H LYS A 62 -11.339 -11.779 21.166 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.436 -11.690 23.948 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.816 -13.846 21.837 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.575 -14.189 23.379 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.406 -12.508 22.769 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.684 -12.375 21.178 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.919 -14.901 20.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.772 -14.937 22.452 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.010 -12.847 20.906 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.821 -14.210 19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.842 -14.439 21.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.742 -15.677 21.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.926 -14.356 22.600 1.00 0.00 H new ATOM 986 N GLU A 63 -9.372 -12.152 23.425 1.00 0.00 N ATOM 987 CA GLU A 63 -8.090 -12.495 24.105 1.00 0.00 C ATOM 988 C GLU A 63 -7.417 -11.224 24.641 1.00 0.00 C ATOM 989 O GLU A 63 -7.468 -10.186 24.012 1.00 0.00 O ATOM 990 CB GLU A 63 -7.229 -13.154 23.023 1.00 0.00 C ATOM 991 CG GLU A 63 -6.543 -12.075 22.182 1.00 0.00 C ATOM 992 CD GLU A 63 -5.637 -12.737 21.142 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.152 -13.823 21.413 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.444 -12.146 20.093 1.00 0.00 O ATOM 0 H GLU A 63 -9.280 -11.605 22.569 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.238 -13.155 24.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.481 -13.800 23.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.848 -13.786 22.386 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.290 -11.455 21.687 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.957 -11.417 22.824 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.811 -11.349 25.794 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.125 -10.198 26.429 1.00 0.00 C ATOM 1003 C PRO A 64 -4.955 -9.714 25.568 1.00 0.00 C ATOM 1004 O PRO A 64 -4.421 -8.643 25.779 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.622 -10.795 27.747 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.041 -12.275 27.814 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.782 -12.639 26.521 1.00 0.00 C ATOM 0 HA PRO A 64 -6.769 -9.329 26.562 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.538 -10.707 27.812 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.037 -10.247 28.592 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.164 -12.910 27.938 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.683 -12.447 28.678 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.259 -13.411 25.957 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.785 -13.015 26.720 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.543 -10.497 24.609 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.398 -10.078 23.748 1.00 0.00 C ATOM 1017 C ASN A 65 -3.863 -9.088 22.678 1.00 0.00 C ATOM 1018 O ASN A 65 -3.069 -8.388 22.083 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.898 -11.370 23.103 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.467 -12.350 24.196 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.209 -11.955 25.316 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.379 -13.623 23.919 1.00 0.00 N ATOM 0 H ASN A 65 -4.947 -11.406 24.384 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.618 -9.575 24.319 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.685 -11.813 22.492 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.060 -11.157 22.439 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.094 -14.284 24.642 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.595 -13.957 22.980 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.141 -9.018 22.426 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.640 -8.067 21.394 1.00 0.00 C ATOM 1031 C ALA A 66 -5.100 -6.663 21.669 1.00 0.00 C ATOM 1032 O ALA A 66 -4.776 -5.924 20.761 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.161 -8.089 21.528 1.00 0.00 C ATOM 0 H ALA A 66 -5.859 -9.576 22.888 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.318 -8.344 20.390 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.600 -7.410 20.797 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.527 -9.100 21.350 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.442 -7.773 22.532 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.995 -6.290 22.916 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.468 -4.936 23.240 1.00 0.00 C ATOM 1041 C GLN A 67 -3.094 -4.755 22.597 1.00 0.00 C ATOM 1042 O GLN A 67 -2.800 -3.733 22.008 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.359 -4.904 24.764 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.757 -4.992 25.379 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.644 -4.963 26.905 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.561 -5.064 27.445 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.723 -4.827 27.625 1.00 0.00 N ATOM 0 H GLN A 67 -5.251 -6.863 23.720 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.108 -4.136 22.868 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.744 -5.734 25.112 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.867 -3.986 25.085 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.371 -4.161 25.033 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.251 -5.909 25.057 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.632 -4.742 27.170 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.658 -4.805 28.643 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.253 -5.749 22.693 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.902 -5.646 22.075 1.00 0.00 C ATOM 1058 C GLU A 68 -0.997 -5.936 20.576 1.00 0.00 C ATOM 1059 O GLU A 68 -0.317 -5.332 19.770 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.063 -6.712 22.782 1.00 0.00 C ATOM 1061 CG GLU A 68 1.372 -6.657 22.259 1.00 0.00 C ATOM 1062 CD GLU A 68 2.177 -7.814 22.854 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.585 -8.625 23.547 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.370 -7.870 22.606 1.00 0.00 O ATOM 0 H GLU A 68 -2.444 -6.628 23.173 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.465 -4.653 22.182 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.076 -6.546 23.859 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.488 -7.700 22.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.376 -6.719 21.171 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.831 -5.705 22.526 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.845 -6.854 20.195 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.993 -7.180 18.747 1.00 0.00 C ATOM 1073 C ILE A 69 -2.597 -5.986 18.003 1.00 0.00 C ATOM 1074 O ILE A 69 -2.084 -5.545 16.994 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.951 -8.373 18.700 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.349 -9.548 19.475 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.178 -8.783 17.243 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.370 -10.687 19.549 1.00 0.00 C ATOM 0 H ILE A 69 -2.441 -7.392 20.824 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.037 -7.407 18.276 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.902 -8.093 19.153 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.439 -9.893 18.985 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.069 -9.230 20.479 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.860 -9.633 17.206 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.610 -7.947 16.693 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.226 -9.062 16.791 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.942 -11.524 20.101 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.268 -10.338 20.058 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.628 -11.011 18.541 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.685 -5.461 18.499 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.329 -4.294 17.830 1.00 0.00 C ATOM 1092 C LEU A 70 -3.267 -3.287 17.377 1.00 0.00 C ATOM 1093 O LEU A 70 -3.105 -3.031 16.201 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.244 -3.689 18.900 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.712 -2.292 18.475 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.705 -1.247 18.959 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.830 -2.218 16.952 1.00 0.00 C ATOM 0 H LEU A 70 -4.157 -5.791 19.341 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.884 -4.577 16.936 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.107 -4.336 19.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.713 -3.628 19.850 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.688 -2.094 18.918 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.038 -0.254 18.657 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.630 -1.290 20.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.729 -1.452 18.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.163 -1.222 16.661 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.859 -2.422 16.501 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.553 -2.957 16.607 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.539 -2.716 18.297 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.489 -1.730 17.902 1.00 0.00 C ATOM 1111 C GLN A 71 -0.633 -2.295 16.763 1.00 0.00 C ATOM 1112 O GLN A 71 -0.452 -1.666 15.739 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.632 -1.526 19.153 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.484 -0.930 20.276 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.586 -0.592 21.466 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.092 0.417 21.464 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.548 -1.400 22.490 1.00 0.00 N ATOM 0 H GLN A 71 -2.623 -2.887 19.299 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.923 -0.795 17.548 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.207 -2.478 19.473 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.204 -0.863 18.928 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.994 -0.033 19.924 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.256 -1.638 20.578 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.116 -2.247 22.493 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.050 -1.185 23.288 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.104 -3.477 16.936 1.00 0.00 N ATOM 1127 CA ARG A 72 0.742 -4.081 15.866 1.00 0.00 C ATOM 1128 C ARG A 72 -0.029 -4.131 14.544 1.00 0.00 C ATOM 1129 O ARG A 72 0.427 -3.635 13.533 1.00 0.00 O ATOM 1130 CB ARG A 72 1.063 -5.491 16.362 1.00 0.00 C ATOM 1131 CG ARG A 72 1.972 -5.399 17.587 1.00 0.00 C ATOM 1132 CD ARG A 72 2.482 -6.793 17.954 1.00 0.00 C ATOM 1133 NE ARG A 72 3.203 -6.605 19.246 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.472 -6.890 19.332 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.869 -7.875 20.092 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.347 -6.189 18.664 1.00 0.00 N ATOM 0 H ARG A 72 -0.221 -4.050 17.772 1.00 0.00 H new ATOM 0 HA ARG A 72 1.647 -3.503 15.679 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.143 -6.018 16.616 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.552 -6.064 15.574 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.812 -4.736 17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.426 -4.968 18.426 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.660 -7.501 18.059 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.145 -7.187 17.184 1.00 0.00 H new ATOM 0 HE ARG A 72 2.703 -6.253 20.062 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.186 -8.421 20.618 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.862 -8.099 20.160 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.038 -5.417 18.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.340 -6.413 18.732 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.193 -4.723 14.541 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.982 -4.796 13.278 1.00 0.00 C ATOM 1152 C LEU A 73 -2.027 -3.420 12.611 1.00 0.00 C ATOM 1153 O LEU A 73 -1.704 -3.274 11.449 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.385 -5.230 13.703 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.471 -6.759 13.700 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -3.052 -7.292 12.328 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.539 -7.328 14.774 1.00 0.00 C ATOM 0 H LEU A 73 -1.630 -5.157 15.354 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.546 -5.489 12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.611 -4.845 14.697 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.128 -4.812 13.023 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.496 -7.063 13.911 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.113 -8.380 12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.716 -6.890 11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.028 -6.986 12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.601 -8.416 14.771 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.514 -7.023 14.565 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.838 -6.951 15.752 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.421 -2.407 13.336 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.477 -1.046 12.733 1.00 0.00 C ATOM 1171 C GLU A 74 -1.130 -0.705 12.090 1.00 0.00 C ATOM 1172 O GLU A 74 -1.064 -0.291 10.948 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.767 -0.101 13.899 1.00 0.00 C ATOM 1174 CG GLU A 74 -4.065 -0.526 14.586 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.547 0.597 15.507 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.868 1.609 15.578 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.586 0.427 16.123 1.00 0.00 O ATOM 0 H GLU A 74 -2.705 -2.463 14.314 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.235 -0.970 11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.942 -0.121 14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.852 0.924 13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.827 -0.751 13.840 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.903 -1.438 15.161 1.00 0.00 H new ATOM 1184 N GLU A 75 -0.052 -0.879 12.810 1.00 0.00 N ATOM 1185 CA GLU A 75 1.285 -0.568 12.232 1.00 0.00 C ATOM 1186 C GLU A 75 1.469 -1.314 10.912 1.00 0.00 C ATOM 1187 O GLU A 75 1.745 -0.722 9.886 1.00 0.00 O ATOM 1188 CB GLU A 75 2.289 -1.060 13.274 1.00 0.00 C ATOM 1189 CG GLU A 75 3.706 -0.682 12.837 1.00 0.00 C ATOM 1190 CD GLU A 75 4.717 -1.276 13.820 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.290 -1.953 14.742 1.00 0.00 O ATOM 1192 OE2 GLU A 75 5.901 -1.045 13.635 1.00 0.00 O ATOM 0 H GLU A 75 -0.042 -1.222 13.770 1.00 0.00 H new ATOM 0 HA GLU A 75 1.410 0.493 12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.067 -0.618 14.245 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.209 -2.141 13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.899 -1.054 11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.810 0.402 12.802 1.00 0.00 H new ATOM 1199 N ILE A 76 1.307 -2.609 10.921 1.00 0.00 N ATOM 1200 CA ILE A 76 1.462 -3.379 9.656 1.00 0.00 C ATOM 1201 C ILE A 76 0.512 -2.813 8.603 1.00 0.00 C ATOM 1202 O ILE A 76 0.827 -2.751 7.431 1.00 0.00 O ATOM 1203 CB ILE A 76 1.086 -4.818 10.009 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.033 -5.344 11.090 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.202 -5.694 8.759 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.480 -5.175 10.624 1.00 0.00 C ATOM 0 H ILE A 76 1.075 -3.164 11.745 1.00 0.00 H new ATOM 0 HA ILE A 76 2.472 -3.323 9.250 1.00 0.00 H new ATOM 0 HB ILE A 76 0.062 -4.846 10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.874 -4.803 12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.825 -6.395 11.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.934 -6.721 9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.528 -5.320 7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.227 -5.666 8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.156 -5.549 11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.633 -5.736 9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.684 -4.119 10.445 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.647 -2.378 9.021 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.615 -1.796 8.052 1.00 0.00 C ATOM 1220 C ALA A 77 -0.963 -0.614 7.335 1.00 0.00 C ATOM 1221 O ALA A 77 -1.227 -0.350 6.179 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.796 -1.326 8.900 1.00 0.00 C ATOM 0 H ALA A 77 -0.963 -2.401 9.991 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.929 -2.509 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.554 -0.883 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.223 -2.176 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.454 -0.583 9.620 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.104 0.095 8.016 1.00 0.00 N ATOM 1229 CA GLU A 78 0.576 1.256 7.376 1.00 0.00 C ATOM 1230 C GLU A 78 1.381 0.783 6.162 1.00 0.00 C ATOM 1231 O GLU A 78 1.378 1.409 5.123 1.00 0.00 O ATOM 1232 CB GLU A 78 1.510 1.812 8.451 1.00 0.00 C ATOM 1233 CG GLU A 78 0.684 2.328 9.631 1.00 0.00 C ATOM 1234 CD GLU A 78 1.615 2.968 10.664 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.803 2.700 10.609 1.00 0.00 O ATOM 1236 OE2 GLU A 78 1.123 3.716 11.492 1.00 0.00 O ATOM 0 H GLU A 78 0.156 -0.080 8.987 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.130 2.008 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.197 1.036 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.117 2.618 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.049 3.057 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.128 1.508 10.085 1.00 0.00 H new ATOM 1243 N ASP A 79 2.075 -0.314 6.288 1.00 0.00 N ATOM 1244 CA ASP A 79 2.880 -0.818 5.138 1.00 0.00 C ATOM 1245 C ASP A 79 2.920 -2.350 5.152 1.00 0.00 C ATOM 1246 O ASP A 79 2.794 -2.963 6.192 1.00 0.00 O ATOM 1247 CB ASP A 79 4.280 -0.245 5.358 1.00 0.00 C ATOM 1248 CG ASP A 79 4.662 0.646 4.173 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.962 0.605 3.176 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.650 1.354 4.285 1.00 0.00 O ATOM 0 H ASP A 79 2.120 -0.882 7.134 1.00 0.00 H new ATOM 0 HA ASP A 79 2.462 -0.520 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.307 0.331 6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.002 -1.054 5.465 1.00 0.00 H new ATOM 1255 N PRO A 80 3.100 -2.916 3.989 1.00 0.00 N ATOM 1256 CA PRO A 80 3.163 -4.389 3.855 1.00 0.00 C ATOM 1257 C PRO A 80 4.320 -4.957 4.683 1.00 0.00 C ATOM 1258 O PRO A 80 4.140 -5.864 5.471 1.00 0.00 O ATOM 1259 CB PRO A 80 3.409 -4.581 2.357 1.00 0.00 C ATOM 1260 CG PRO A 80 3.474 -3.194 1.683 1.00 0.00 C ATOM 1261 CD PRO A 80 3.249 -2.115 2.751 1.00 0.00 C ATOM 0 HA PRO A 80 2.268 -4.900 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.340 -5.124 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.610 -5.178 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.442 -3.053 1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.716 -3.117 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.090 -1.424 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.361 -1.518 2.544 1.00 0.00 H new ATOM 1269 N GLY A 81 5.505 -4.436 4.510 1.00 0.00 N ATOM 1270 CA GLY A 81 6.661 -4.959 5.287 1.00 0.00 C ATOM 1271 C GLY A 81 7.181 -6.228 4.615 1.00 0.00 C ATOM 1272 O GLY A 81 7.252 -6.315 3.405 1.00 0.00 O ATOM 0 H GLY A 81 5.720 -3.674 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.451 -4.209 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.359 -5.173 6.312 1.00 0.00 H new ATOM 1276 N THR A 82 7.538 -7.216 5.386 1.00 0.00 N ATOM 1277 CA THR A 82 8.043 -8.481 4.781 1.00 0.00 C ATOM 1278 C THR A 82 6.866 -9.330 4.299 1.00 0.00 C ATOM 1279 O THR A 82 7.014 -10.211 3.475 1.00 0.00 O ATOM 1280 CB THR A 82 8.793 -9.189 5.909 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.869 -9.574 6.919 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.838 -8.245 6.502 1.00 0.00 C ATOM 0 H THR A 82 7.503 -7.204 6.405 1.00 0.00 H new ATOM 0 HA THR A 82 8.686 -8.304 3.919 1.00 0.00 H new ATOM 0 HB THR A 82 9.292 -10.074 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.318 -9.576 7.790 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.372 -8.752 7.306 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.545 -7.951 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.344 -7.358 6.897 1.00 0.00 H new ATOM 1290 N CYS A 83 5.694 -9.070 4.808 1.00 0.00 N ATOM 1291 CA CYS A 83 4.507 -9.862 4.383 1.00 0.00 C ATOM 1292 C CYS A 83 4.367 -9.826 2.859 1.00 0.00 C ATOM 1293 O CYS A 83 4.276 -10.849 2.209 1.00 0.00 O ATOM 1294 CB CYS A 83 3.312 -9.178 5.049 1.00 0.00 C ATOM 1295 SG CYS A 83 1.815 -10.150 4.746 1.00 0.00 S ATOM 0 H CYS A 83 5.507 -8.344 5.499 1.00 0.00 H new ATOM 0 HA CYS A 83 4.586 -10.911 4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.485 -9.082 6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.190 -8.169 4.654 1.00 0.00 H new ATOM 1300 N GLU A 84 4.336 -8.655 2.287 1.00 0.00 N ATOM 1301 CA GLU A 84 4.186 -8.546 0.808 1.00 0.00 C ATOM 1302 C GLU A 84 5.321 -9.275 0.080 1.00 0.00 C ATOM 1303 O GLU A 84 5.144 -9.766 -1.017 1.00 0.00 O ATOM 1304 CB GLU A 84 4.247 -7.047 0.518 1.00 0.00 C ATOM 1305 CG GLU A 84 4.032 -6.809 -0.979 1.00 0.00 C ATOM 1306 CD GLU A 84 4.230 -5.325 -1.293 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.567 -4.587 -0.382 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.040 -4.951 -2.439 1.00 0.00 O ATOM 0 H GLU A 84 4.408 -7.766 2.781 1.00 0.00 H new ATOM 0 HA GLU A 84 3.258 -9.001 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.484 -6.523 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.212 -6.645 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.732 -7.411 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.029 -7.122 -1.267 1.00 0.00 H new ATOM 1315 N ILE A 85 6.487 -9.342 0.665 1.00 0.00 N ATOM 1316 CA ILE A 85 7.617 -10.033 -0.022 1.00 0.00 C ATOM 1317 C ILE A 85 7.734 -11.483 0.460 1.00 0.00 C ATOM 1318 O ILE A 85 8.710 -12.158 0.201 1.00 0.00 O ATOM 1319 CB ILE A 85 8.864 -9.226 0.345 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.115 -9.315 1.850 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.654 -7.761 -0.047 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.245 -8.359 2.237 1.00 0.00 C ATOM 0 H ILE A 85 6.705 -8.952 1.582 1.00 0.00 H new ATOM 0 HA ILE A 85 7.474 -10.080 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 85 9.724 -9.631 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.207 -9.061 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.378 -10.336 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.541 -7.184 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.479 -7.693 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.792 -7.362 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.424 -8.423 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.153 -8.634 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.964 -7.339 1.976 1.00 0.00 H new ATOM 1334 N CYS A 86 6.738 -11.968 1.153 1.00 0.00 N ATOM 1335 CA CYS A 86 6.779 -13.378 1.645 1.00 0.00 C ATOM 1336 C CYS A 86 8.085 -13.659 2.395 1.00 0.00 C ATOM 1337 O CYS A 86 8.477 -14.796 2.567 1.00 0.00 O ATOM 1338 CB CYS A 86 6.691 -14.237 0.384 1.00 0.00 C ATOM 1339 SG CYS A 86 5.975 -15.848 0.799 1.00 0.00 S ATOM 0 H CYS A 86 5.896 -11.448 1.400 1.00 0.00 H new ATOM 0 HA CYS A 86 5.970 -13.587 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.079 -13.738 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.683 -14.369 -0.049 1.00 0.00 H new ATOM 1344 N ALA A 87 8.757 -12.639 2.849 1.00 0.00 N ATOM 1345 CA ALA A 87 10.030 -12.864 3.594 1.00 0.00 C ATOM 1346 C ALA A 87 9.720 -13.309 5.025 1.00 0.00 C ATOM 1347 O ALA A 87 10.595 -13.705 5.770 1.00 0.00 O ATOM 1348 CB ALA A 87 10.740 -11.511 3.595 1.00 0.00 C ATOM 0 H ALA A 87 8.483 -11.663 2.738 1.00 0.00 H new ATOM 0 HA ALA A 87 10.646 -13.640 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.687 -11.598 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.928 -11.198 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.112 -10.771 4.091 1.00 0.00 H new ATOM 1354 N TYR A 88 8.476 -13.244 5.410 1.00 0.00 N ATOM 1355 CA TYR A 88 8.093 -13.659 6.788 1.00 0.00 C ATOM 1356 C TYR A 88 6.788 -14.459 6.747 1.00 0.00 C ATOM 1357 O TYR A 88 6.074 -14.448 5.763 1.00 0.00 O ATOM 1358 CB TYR A 88 7.900 -12.346 7.549 1.00 0.00 C ATOM 1359 CG TYR A 88 7.636 -12.635 9.006 1.00 0.00 C ATOM 1360 CD1 TYR A 88 8.441 -13.548 9.698 1.00 0.00 C ATOM 1361 CD2 TYR A 88 6.587 -11.986 9.668 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.196 -13.812 11.051 1.00 0.00 C ATOM 1363 CE2 TYR A 88 6.342 -12.250 11.021 1.00 0.00 C ATOM 1364 CZ TYR A 88 7.147 -13.162 11.713 1.00 0.00 C ATOM 1365 OH TYR A 88 6.906 -13.421 13.046 1.00 0.00 O ATOM 0 H TYR A 88 7.705 -12.920 4.827 1.00 0.00 H new ATOM 0 HA TYR A 88 8.841 -14.296 7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.788 -11.722 7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.067 -11.787 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.251 -14.049 9.188 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.966 -11.281 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.816 -14.517 11.584 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.532 -11.750 11.531 1.00 0.00 H new ATOM 0 HH TYR A 88 6.144 -12.886 13.351 1.00 0.00 H new ATOM 1375 N ALA A 89 6.469 -15.154 7.803 1.00 0.00 N ATOM 1376 CA ALA A 89 5.209 -15.953 7.814 1.00 0.00 C ATOM 1377 C ALA A 89 3.999 -15.029 7.981 1.00 0.00 C ATOM 1378 O ALA A 89 2.872 -15.474 8.057 1.00 0.00 O ATOM 1379 CB ALA A 89 5.344 -16.889 9.013 1.00 0.00 C ATOM 0 H ALA A 89 7.024 -15.204 8.657 1.00 0.00 H new ATOM 0 HA ALA A 89 5.059 -16.504 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.453 -17.513 9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.221 -17.523 8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.454 -16.300 9.924 1.00 0.00 H new ATOM 1385 N ALA A 90 4.225 -13.745 8.042 1.00 0.00 N ATOM 1386 CA ALA A 90 3.090 -12.792 8.207 1.00 0.00 C ATOM 1387 C ALA A 90 2.144 -12.869 7.006 1.00 0.00 C ATOM 1388 O ALA A 90 0.942 -12.760 7.144 1.00 0.00 O ATOM 1389 CB ALA A 90 3.742 -11.412 8.283 1.00 0.00 C ATOM 0 H ALA A 90 5.148 -13.314 7.985 1.00 0.00 H new ATOM 0 HA ALA A 90 2.494 -13.016 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.971 -10.651 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.423 -11.378 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.298 -11.221 7.365 1.00 0.00 H new ATOM 1395 N CYS A 91 2.674 -13.048 5.826 1.00 0.00 N ATOM 1396 CA CYS A 91 1.799 -13.123 4.621 1.00 0.00 C ATOM 1397 C CYS A 91 1.541 -14.581 4.233 1.00 0.00 C ATOM 1398 O CYS A 91 2.455 -15.328 3.944 1.00 0.00 O ATOM 1399 CB CYS A 91 2.576 -12.409 3.517 1.00 0.00 C ATOM 1400 SG CYS A 91 1.630 -10.974 2.948 1.00 0.00 S ATOM 0 H CYS A 91 3.673 -13.145 5.645 1.00 0.00 H new ATOM 0 HA CYS A 91 0.825 -12.666 4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.550 -12.092 3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.759 -13.091 2.686 1.00 0.00 H new ATOM 1405 N THR A 92 0.301 -14.988 4.220 1.00 0.00 N ATOM 1406 CA THR A 92 -0.016 -16.397 3.846 1.00 0.00 C ATOM 1407 C THR A 92 -0.578 -16.451 2.423 1.00 0.00 C ATOM 1408 O THR A 92 -1.139 -15.493 1.929 1.00 0.00 O ATOM 1409 CB THR A 92 -1.072 -16.850 4.856 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.277 -16.131 4.635 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.570 -16.585 6.276 1.00 0.00 C ATOM 0 H THR A 92 -0.505 -14.408 4.452 1.00 0.00 H new ATOM 0 HA THR A 92 0.866 -17.037 3.865 1.00 0.00 H new ATOM 0 HB THR A 92 -1.258 -17.917 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.203 -15.617 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.323 -16.908 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.354 -17.139 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.382 -15.519 6.402 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.435 -17.566 1.761 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.963 -17.683 0.372 1.00 0.00 C ATOM 1421 C GLY A 93 0.159 -17.392 -0.626 1.00 0.00 C ATOM 1422 O GLY A 93 0.023 -17.622 -1.811 1.00 0.00 O ATOM 0 H GLY A 93 0.025 -18.402 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.361 -18.684 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.786 -16.984 0.224 1.00 0.00 H new ATOM 1426 N CYS A 94 1.267 -16.885 -0.157 1.00 0.00 N ATOM 1427 CA CYS A 94 2.396 -16.578 -1.080 1.00 0.00 C ATOM 1428 C CYS A 94 3.035 -17.874 -1.586 1.00 0.00 C ATOM 1429 O CYS A 94 2.840 -18.897 -0.950 1.00 0.00 O ATOM 1430 CB CYS A 94 3.390 -15.784 -0.231 1.00 0.00 C ATOM 1431 SG CYS A 94 4.170 -16.885 0.975 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.709 -17.821 -2.603 1.00 0.00 O ATOM 0 H CYS A 94 1.439 -16.670 0.825 1.00 0.00 H new ATOM 0 HA CYS A 94 2.073 -16.022 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.149 -15.331 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.877 -14.970 0.282 1.00 0.00 H new TER 1437 CYS A 94