USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= -0.325 (180deg=-1.93!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00387 K(o=-0.0039,f=-1.7) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 16 GLN : amide:sc= -0.159 K(o=-0.16,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.2!) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.247 (180deg=-1.86!) USER MOD Single : A 27 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0283 F(o=-0.72,f=-0.028) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.0142 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.0155 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.697 USER MOD Single : A 64 GLN : amide:sc= -1.84 K(o=-1.8,f=-6.2!) USER MOD Single : A 67 MET CE :methyl -163:sc= -10.2! (180deg=-10.7!) USER MOD Single : A 73 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.56) USER MOD Single : A 84 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.579 -14.154 2.994 1.00 0.00 N ATOM 2 CA MET A 1 -8.864 -13.527 4.146 1.00 0.00 C ATOM 3 C MET A 1 -7.474 -13.055 3.712 1.00 0.00 C ATOM 4 O MET A 1 -6.502 -13.777 3.809 1.00 0.00 O ATOM 5 CB MET A 1 -8.753 -14.631 5.200 1.00 0.00 C ATOM 6 CG MET A 1 -10.155 -15.078 5.616 1.00 0.00 C ATOM 7 SD MET A 1 -10.161 -16.866 5.896 1.00 0.00 S ATOM 8 CE MET A 1 -9.917 -16.816 7.689 1.00 0.00 C ATOM 0 H1 MET A 1 -10.579 -13.869 3.009 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.143 -13.841 2.103 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.513 -15.189 3.066 1.00 0.00 H new ATOM 0 HA MET A 1 -9.391 -12.653 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.193 -15.476 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.203 -14.267 6.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.460 -14.556 6.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.876 -14.818 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.889 -17.833 8.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.976 -16.314 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.739 -16.271 8.153 1.00 0.00 H new ATOM 20 N ARG A 2 -7.374 -11.844 3.235 1.00 0.00 N ATOM 21 CA ARG A 2 -6.051 -11.318 2.794 1.00 0.00 C ATOM 22 C ARG A 2 -6.025 -9.793 2.930 1.00 0.00 C ATOM 23 O ARG A 2 -7.029 -9.172 3.220 1.00 0.00 O ATOM 24 CB ARG A 2 -5.926 -11.733 1.328 1.00 0.00 C ATOM 25 CG ARG A 2 -5.460 -13.189 1.250 1.00 0.00 C ATOM 26 CD ARG A 2 -4.596 -13.383 0.002 1.00 0.00 C ATOM 27 NE ARG A 2 -5.470 -12.995 -1.139 1.00 0.00 N ATOM 28 CZ ARG A 2 -5.245 -13.478 -2.331 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.195 -14.224 -2.550 1.00 0.00 N ATOM 30 NH2 ARG A 2 -6.073 -13.218 -3.306 1.00 0.00 N ATOM 0 H ARG A 2 -8.154 -11.195 3.132 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.227 -11.706 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.885 -11.619 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.216 -11.084 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.891 -13.448 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.321 -13.856 1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.701 -12.762 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.263 -14.417 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.246 -12.350 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.548 -14.431 -1.789 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.022 -14.600 -3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.895 -12.638 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.898 -13.595 -4.238 1.00 0.00 H new ATOM 44 N ARG A 3 -4.889 -9.183 2.730 1.00 0.00 N ATOM 45 CA ARG A 3 -4.815 -7.698 2.855 1.00 0.00 C ATOM 46 C ARG A 3 -4.527 -7.064 1.494 1.00 0.00 C ATOM 47 O ARG A 3 -3.960 -7.688 0.619 1.00 0.00 O ATOM 48 CB ARG A 3 -3.661 -7.429 3.825 1.00 0.00 C ATOM 49 CG ARG A 3 -3.807 -8.312 5.066 1.00 0.00 C ATOM 50 CD ARG A 3 -2.457 -8.410 5.781 1.00 0.00 C ATOM 51 NE ARG A 3 -2.694 -9.330 6.927 1.00 0.00 N ATOM 52 CZ ARG A 3 -2.676 -10.622 6.741 1.00 0.00 C ATOM 53 NH1 ARG A 3 -1.799 -11.153 5.931 1.00 0.00 N ATOM 54 NH2 ARG A 3 -3.536 -11.383 7.362 1.00 0.00 N ATOM 0 H ARG A 3 -4.013 -9.645 2.487 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.753 -7.273 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.708 -7.630 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.655 -6.378 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.557 -7.894 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.153 -9.305 4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.686 -8.798 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.120 -7.432 6.123 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.870 -8.951 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.129 -10.558 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.785 -12.162 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.222 -10.968 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.522 -12.392 7.217 1.00 0.00 H new ATOM 68 N TYR A 4 -4.915 -5.829 1.299 1.00 0.00 N ATOM 69 CA TYR A 4 -4.661 -5.179 -0.009 1.00 0.00 C ATOM 70 C TYR A 4 -4.045 -3.796 0.197 1.00 0.00 C ATOM 71 O TYR A 4 -4.065 -3.249 1.282 1.00 0.00 O ATOM 72 CB TYR A 4 -6.034 -5.063 -0.657 1.00 0.00 C ATOM 73 CG TYR A 4 -6.652 -6.436 -0.780 1.00 0.00 C ATOM 74 CD1 TYR A 4 -7.169 -7.075 0.354 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.706 -7.074 -2.026 1.00 0.00 C ATOM 76 CE1 TYR A 4 -7.739 -8.349 0.242 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.275 -8.348 -2.137 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.792 -8.985 -1.004 1.00 0.00 C ATOM 79 OH TYR A 4 -8.353 -10.241 -1.115 1.00 0.00 O ATOM 0 H TYR A 4 -5.394 -5.250 1.989 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.963 -5.745 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.676 -4.416 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.945 -4.603 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.128 -6.585 1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.308 -6.582 -2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.138 -8.841 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.315 -8.839 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.310 -10.537 -2.048 1.00 0.00 H new ATOM 89 N GLU A 5 -3.500 -3.228 -0.840 1.00 0.00 N ATOM 90 CA GLU A 5 -2.884 -1.879 -0.715 1.00 0.00 C ATOM 91 C GLU A 5 -3.745 -0.859 -1.459 1.00 0.00 C ATOM 92 O GLU A 5 -4.187 -1.099 -2.565 1.00 0.00 O ATOM 93 CB GLU A 5 -1.513 -2.013 -1.381 1.00 0.00 C ATOM 94 CG GLU A 5 -1.696 -2.247 -2.881 1.00 0.00 C ATOM 95 CD GLU A 5 -0.688 -3.292 -3.361 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.488 -4.263 -2.651 1.00 0.00 O ATOM 97 OE2 GLU A 5 -0.134 -3.103 -4.431 1.00 0.00 O ATOM 0 H GLU A 5 -3.454 -3.641 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.800 -1.544 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.925 -1.111 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.961 -2.841 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.712 -2.585 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.555 -1.313 -3.425 1.00 0.00 H new ATOM 104 N VAL A 6 -3.999 0.274 -0.864 1.00 0.00 N ATOM 105 CA VAL A 6 -4.846 1.289 -1.551 1.00 0.00 C ATOM 106 C VAL A 6 -4.005 2.495 -1.977 1.00 0.00 C ATOM 107 O VAL A 6 -3.551 3.266 -1.157 1.00 0.00 O ATOM 108 CB VAL A 6 -5.889 1.703 -0.514 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.034 2.438 -1.210 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.439 0.457 0.186 1.00 0.00 C ATOM 0 H VAL A 6 -3.660 0.539 0.061 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.304 0.892 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.426 2.360 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.779 2.734 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.646 3.326 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.495 1.779 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.183 0.754 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.902 -0.200 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.625 -0.071 0.682 1.00 0.00 H new ATOM 120 N ASN A 7 -3.804 2.668 -3.256 1.00 0.00 N ATOM 121 CA ASN A 7 -3.004 3.831 -3.731 1.00 0.00 C ATOM 122 C ASN A 7 -3.918 5.046 -3.889 1.00 0.00 C ATOM 123 O ASN A 7 -4.587 5.210 -4.891 1.00 0.00 O ATOM 124 CB ASN A 7 -2.432 3.404 -5.082 1.00 0.00 C ATOM 125 CG ASN A 7 -1.062 2.756 -4.871 1.00 0.00 C ATOM 126 OD1 ASN A 7 -0.762 2.280 -3.794 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.212 2.717 -5.862 1.00 0.00 N ATOM 0 H ASN A 7 -4.159 2.055 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.212 4.107 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.108 2.702 -5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.341 4.268 -5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.704 2.287 -5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.464 3.117 -6.766 1.00 0.00 H new ATOM 134 N ILE A 8 -3.956 5.893 -2.901 1.00 0.00 N ATOM 135 CA ILE A 8 -4.829 7.096 -2.975 1.00 0.00 C ATOM 136 C ILE A 8 -3.975 8.364 -2.982 1.00 0.00 C ATOM 137 O ILE A 8 -3.002 8.468 -2.267 1.00 0.00 O ATOM 138 CB ILE A 8 -5.689 7.042 -1.712 1.00 0.00 C ATOM 139 CG1 ILE A 8 -6.624 5.831 -1.776 1.00 0.00 C ATOM 140 CG2 ILE A 8 -6.524 8.319 -1.607 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.387 5.707 -0.456 1.00 0.00 C ATOM 0 H ILE A 8 -3.417 5.803 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.435 7.111 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.041 6.955 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.324 5.942 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.050 4.924 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.137 8.280 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.862 9.184 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.169 8.405 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.053 4.845 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.679 5.577 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.973 6.610 -0.288 1.00 0.00 H new ATOM 153 N VAL A 9 -4.327 9.327 -3.786 1.00 0.00 N ATOM 154 CA VAL A 9 -3.532 10.588 -3.825 1.00 0.00 C ATOM 155 C VAL A 9 -4.478 11.790 -3.732 1.00 0.00 C ATOM 156 O VAL A 9 -5.469 11.864 -4.432 1.00 0.00 O ATOM 157 CB VAL A 9 -2.817 10.563 -5.175 1.00 0.00 C ATOM 158 CG1 VAL A 9 -3.826 10.246 -6.279 1.00 0.00 C ATOM 159 CG2 VAL A 9 -2.180 11.930 -5.442 1.00 0.00 C ATOM 0 H VAL A 9 -5.128 9.297 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.825 10.668 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.041 9.798 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.317 10.228 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.279 9.273 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.602 11.011 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.670 11.912 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.955 12.696 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.461 12.156 -4.655 1.00 0.00 H new ATOM 169 N LEU A 10 -4.199 12.726 -2.864 1.00 0.00 N ATOM 170 CA LEU A 10 -5.105 13.901 -2.729 1.00 0.00 C ATOM 171 C LEU A 10 -4.321 15.215 -2.757 1.00 0.00 C ATOM 172 O LEU A 10 -3.129 15.249 -2.525 1.00 0.00 O ATOM 173 CB LEU A 10 -5.772 13.714 -1.370 1.00 0.00 C ATOM 174 CG LEU A 10 -6.889 12.683 -1.502 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.447 11.372 -0.857 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.148 13.201 -0.803 1.00 0.00 C ATOM 0 H LEU A 10 -3.387 12.727 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.821 13.956 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.040 13.383 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.175 14.662 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.106 12.513 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.244 10.634 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.551 11.004 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.230 11.540 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.946 12.464 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.934 13.371 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.462 14.137 -1.265 1.00 0.00 H new ATOM 188 N ASN A 11 -4.995 16.300 -3.028 1.00 0.00 N ATOM 189 CA ASN A 11 -4.311 17.624 -3.063 1.00 0.00 C ATOM 190 C ASN A 11 -4.702 18.442 -1.829 1.00 0.00 C ATOM 191 O ASN A 11 -5.706 18.172 -1.200 1.00 0.00 O ATOM 192 CB ASN A 11 -4.821 18.303 -4.335 1.00 0.00 C ATOM 193 CG ASN A 11 -4.781 17.311 -5.499 1.00 0.00 C ATOM 194 OD1 ASN A 11 -5.761 17.132 -6.194 1.00 0.00 O ATOM 195 ND2 ASN A 11 -3.680 16.654 -5.743 1.00 0.00 N ATOM 0 H ASN A 11 -5.995 16.326 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.225 17.531 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.839 18.661 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.207 19.174 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.643 15.991 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.857 16.804 -5.160 1.00 0.00 H new ATOM 202 N PRO A 12 -3.892 19.416 -1.523 1.00 0.00 N ATOM 203 CA PRO A 12 -4.153 20.281 -0.354 1.00 0.00 C ATOM 204 C PRO A 12 -5.171 21.363 -0.712 1.00 0.00 C ATOM 205 O PRO A 12 -4.983 22.529 -0.427 1.00 0.00 O ATOM 206 CB PRO A 12 -2.791 20.890 -0.050 1.00 0.00 C ATOM 207 CG PRO A 12 -2.036 20.852 -1.347 1.00 0.00 C ATOM 208 CD PRO A 12 -2.669 19.798 -2.228 1.00 0.00 C ATOM 0 HA PRO A 12 -4.570 19.743 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.891 21.912 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.272 20.324 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.069 21.826 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.986 20.619 -1.170 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.890 20.191 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.006 18.944 -2.363 1.00 0.00 H new ATOM 216 N ASN A 13 -6.248 20.981 -1.333 1.00 0.00 N ATOM 217 CA ASN A 13 -7.287 21.981 -1.711 1.00 0.00 C ATOM 218 C ASN A 13 -7.667 22.825 -0.492 1.00 0.00 C ATOM 219 O ASN A 13 -7.647 24.039 -0.534 1.00 0.00 O ATOM 220 CB ASN A 13 -8.480 21.150 -2.183 1.00 0.00 C ATOM 221 CG ASN A 13 -9.581 22.081 -2.690 1.00 0.00 C ATOM 222 OD1 ASN A 13 -10.644 22.158 -2.106 1.00 0.00 O ATOM 223 ND2 ASN A 13 -9.371 22.800 -3.759 1.00 0.00 N ATOM 0 H ASN A 13 -6.457 20.018 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.942 22.670 -2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.171 20.469 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.856 20.537 -1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.099 23.426 -4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.479 22.736 -4.250 1.00 0.00 H new ATOM 230 N LEU A 14 -8.011 22.190 0.594 1.00 0.00 N ATOM 231 CA LEU A 14 -8.390 22.953 1.819 1.00 0.00 C ATOM 232 C LEU A 14 -7.137 23.347 2.605 1.00 0.00 C ATOM 233 O LEU A 14 -6.041 22.920 2.298 1.00 0.00 O ATOM 234 CB LEU A 14 -9.249 21.981 2.631 1.00 0.00 C ATOM 235 CG LEU A 14 -10.714 22.433 2.615 1.00 0.00 C ATOM 236 CD1 LEU A 14 -11.095 22.936 1.219 1.00 0.00 C ATOM 237 CD2 LEU A 14 -11.607 21.248 2.985 1.00 0.00 C ATOM 0 H LEU A 14 -8.046 21.175 0.687 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.921 23.876 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.166 20.976 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.886 21.933 3.658 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.848 23.242 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.137 23.254 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.458 23.779 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.961 22.133 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.651 21.562 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.463 20.445 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.344 20.891 3.981 1.00 0.00 H new ATOM 249 N ASP A 15 -7.289 24.159 3.615 1.00 0.00 N ATOM 250 CA ASP A 15 -6.104 24.578 4.419 1.00 0.00 C ATOM 251 C ASP A 15 -5.813 23.540 5.504 1.00 0.00 C ATOM 252 O ASP A 15 -6.377 22.463 5.515 1.00 0.00 O ATOM 253 CB ASP A 15 -6.497 25.918 5.045 1.00 0.00 C ATOM 254 CG ASP A 15 -7.479 25.681 6.195 1.00 0.00 C ATOM 255 OD1 ASP A 15 -8.123 24.644 6.191 1.00 0.00 O ATOM 256 OD2 ASP A 15 -7.569 26.537 7.059 1.00 0.00 O ATOM 0 H ASP A 15 -8.181 24.550 3.919 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.203 24.666 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.609 26.433 5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.952 26.563 4.293 1.00 0.00 H new ATOM 261 N GLN A 16 -4.934 23.852 6.416 1.00 0.00 N ATOM 262 CA GLN A 16 -4.606 22.879 7.496 1.00 0.00 C ATOM 263 C GLN A 16 -5.807 22.678 8.424 1.00 0.00 C ATOM 264 O GLN A 16 -6.183 21.566 8.732 1.00 0.00 O ATOM 265 CB GLN A 16 -3.442 23.510 8.259 1.00 0.00 C ATOM 266 CG GLN A 16 -3.033 22.590 9.409 1.00 0.00 C ATOM 267 CD GLN A 16 -2.235 21.409 8.855 1.00 0.00 C ATOM 268 OE1 GLN A 16 -2.801 20.471 8.329 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.935 21.416 8.949 1.00 0.00 N ATOM 0 H GLN A 16 -4.429 24.737 6.460 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.351 21.898 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.598 23.671 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.733 24.487 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.433 23.140 10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.918 22.231 9.934 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.460 22.203 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.393 20.634 8.581 1.00 0.00 H new ATOM 278 N SER A 17 -6.408 23.744 8.879 1.00 0.00 N ATOM 279 CA SER A 17 -7.572 23.605 9.793 1.00 0.00 C ATOM 280 C SER A 17 -8.691 22.802 9.125 1.00 0.00 C ATOM 281 O SER A 17 -9.258 21.905 9.717 1.00 0.00 O ATOM 282 CB SER A 17 -8.026 25.036 10.078 1.00 0.00 C ATOM 283 OG SER A 17 -9.443 25.107 9.984 1.00 0.00 O ATOM 0 H SER A 17 -6.142 24.703 8.656 1.00 0.00 H new ATOM 0 HA SER A 17 -7.313 23.071 10.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.700 25.342 11.072 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.568 25.724 9.367 1.00 0.00 H new ATOM 0 HG SER A 17 -9.738 26.023 10.168 1.00 0.00 H new ATOM 289 N GLN A 18 -9.014 23.107 7.898 1.00 0.00 N ATOM 290 CA GLN A 18 -10.095 22.343 7.209 1.00 0.00 C ATOM 291 C GLN A 18 -9.608 20.927 6.902 1.00 0.00 C ATOM 292 O GLN A 18 -10.346 19.968 7.006 1.00 0.00 O ATOM 293 CB GLN A 18 -10.370 23.109 5.914 1.00 0.00 C ATOM 294 CG GLN A 18 -10.968 24.478 6.244 1.00 0.00 C ATOM 295 CD GLN A 18 -12.488 24.431 6.078 1.00 0.00 C ATOM 296 OE1 GLN A 18 -13.044 23.407 5.734 1.00 0.00 O ATOM 297 NE2 GLN A 18 -13.189 25.508 6.307 1.00 0.00 N ATOM 0 H GLN A 18 -8.580 23.846 7.345 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.994 22.253 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.446 23.231 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.057 22.543 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.713 24.760 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.544 25.238 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.723 26.368 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.203 25.490 6.197 1.00 0.00 H new ATOM 306 N LEU A 19 -8.367 20.792 6.524 1.00 0.00 N ATOM 307 CA LEU A 19 -7.823 19.440 6.211 1.00 0.00 C ATOM 308 C LEU A 19 -7.706 18.602 7.487 1.00 0.00 C ATOM 309 O LEU A 19 -7.935 17.409 7.479 1.00 0.00 O ATOM 310 CB LEU A 19 -6.441 19.697 5.612 1.00 0.00 C ATOM 311 CG LEU A 19 -5.823 18.369 5.172 1.00 0.00 C ATOM 312 CD1 LEU A 19 -6.766 17.666 4.196 1.00 0.00 C ATOM 313 CD2 LEU A 19 -4.482 18.631 4.483 1.00 0.00 C ATOM 0 H LEU A 19 -7.705 21.561 6.418 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.468 18.887 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.521 20.373 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.799 20.184 6.346 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.665 17.737 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.326 16.720 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.721 17.477 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.924 18.299 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.043 17.684 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.639 19.264 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.808 19.132 5.178 1.00 0.00 H new ATOM 325 N ALA A 20 -7.347 19.212 8.585 1.00 0.00 N ATOM 326 CA ALA A 20 -7.213 18.444 9.850 1.00 0.00 C ATOM 327 C ALA A 20 -8.545 17.781 10.204 1.00 0.00 C ATOM 328 O ALA A 20 -8.589 16.669 10.692 1.00 0.00 O ATOM 329 CB ALA A 20 -6.832 19.480 10.907 1.00 0.00 C ATOM 0 H ALA A 20 -7.142 20.208 8.657 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.470 17.650 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.715 18.988 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.893 19.958 10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.616 20.234 10.977 1.00 0.00 H new ATOM 335 N LEU A 21 -9.631 18.462 9.968 1.00 0.00 N ATOM 336 CA LEU A 21 -10.961 17.888 10.295 1.00 0.00 C ATOM 337 C LEU A 21 -11.232 16.646 9.437 1.00 0.00 C ATOM 338 O LEU A 21 -11.905 15.724 9.854 1.00 0.00 O ATOM 339 CB LEU A 21 -11.958 19.017 9.993 1.00 0.00 C ATOM 340 CG LEU A 21 -12.430 18.952 8.536 1.00 0.00 C ATOM 341 CD1 LEU A 21 -13.641 18.022 8.433 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.826 20.356 8.067 1.00 0.00 C ATOM 0 H LEU A 21 -9.652 19.397 9.560 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.035 17.557 11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.815 18.939 10.661 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.490 19.982 10.186 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.624 18.571 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.977 17.976 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.362 17.023 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.447 18.404 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.162 20.312 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.633 20.735 8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.965 21.021 8.142 1.00 0.00 H new ATOM 354 N GLU A 22 -10.709 16.618 8.243 1.00 0.00 N ATOM 355 CA GLU A 22 -10.934 15.435 7.357 1.00 0.00 C ATOM 356 C GLU A 22 -10.172 14.226 7.902 1.00 0.00 C ATOM 357 O GLU A 22 -10.715 13.150 8.049 1.00 0.00 O ATOM 358 CB GLU A 22 -10.382 15.834 5.985 1.00 0.00 C ATOM 359 CG GLU A 22 -10.747 17.288 5.677 1.00 0.00 C ATOM 360 CD GLU A 22 -10.765 17.500 4.162 1.00 0.00 C ATOM 361 OE1 GLU A 22 -11.583 16.877 3.506 1.00 0.00 O ATOM 362 OE2 GLU A 22 -9.962 18.284 3.684 1.00 0.00 O ATOM 0 H GLU A 22 -10.136 17.360 7.840 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.988 15.162 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.299 15.711 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.788 15.178 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.723 17.526 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.026 17.961 6.140 1.00 0.00 H new ATOM 369 N LYS A 23 -8.914 14.400 8.200 1.00 0.00 N ATOM 370 CA LYS A 23 -8.109 13.265 8.737 1.00 0.00 C ATOM 371 C LYS A 23 -8.728 12.749 10.038 1.00 0.00 C ATOM 372 O LYS A 23 -8.692 11.571 10.330 1.00 0.00 O ATOM 373 CB LYS A 23 -6.726 13.858 9.006 1.00 0.00 C ATOM 374 CG LYS A 23 -5.739 13.365 7.946 1.00 0.00 C ATOM 375 CD LYS A 23 -5.946 14.153 6.650 1.00 0.00 C ATOM 376 CE LYS A 23 -4.599 14.678 6.149 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.081 15.529 7.257 1.00 0.00 N ATOM 0 H LYS A 23 -8.408 15.279 8.095 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.068 12.423 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.777 14.947 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.383 13.569 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.716 13.490 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.886 12.300 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.403 13.515 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.630 14.984 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.914 13.860 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.716 15.254 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.680 16.404 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.859 15.765 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.343 15.012 7.776 1.00 0.00 H new ATOM 391 N GLU A 24 -9.288 13.627 10.822 1.00 0.00 N ATOM 392 CA GLU A 24 -9.904 13.197 12.112 1.00 0.00 C ATOM 393 C GLU A 24 -11.217 12.447 11.862 1.00 0.00 C ATOM 394 O GLU A 24 -11.476 11.418 12.452 1.00 0.00 O ATOM 395 CB GLU A 24 -10.171 14.498 12.870 1.00 0.00 C ATOM 396 CG GLU A 24 -9.585 14.401 14.280 1.00 0.00 C ATOM 397 CD GLU A 24 -8.753 15.652 14.571 1.00 0.00 C ATOM 398 OE1 GLU A 24 -9.325 16.730 14.584 1.00 0.00 O ATOM 399 OE2 GLU A 24 -7.558 15.510 14.777 1.00 0.00 O ATOM 0 H GLU A 24 -9.347 14.626 10.626 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.257 12.518 12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.726 15.339 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.243 14.686 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.386 14.305 15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.964 13.509 14.367 1.00 0.00 H new ATOM 406 N ILE A 25 -12.050 12.960 10.998 1.00 0.00 N ATOM 407 CA ILE A 25 -13.347 12.281 10.719 1.00 0.00 C ATOM 408 C ILE A 25 -13.123 10.989 9.928 1.00 0.00 C ATOM 409 O ILE A 25 -13.659 9.949 10.258 1.00 0.00 O ATOM 410 CB ILE A 25 -14.138 13.292 9.889 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.624 14.425 10.796 1.00 0.00 C ATOM 412 CG2 ILE A 25 -15.341 12.601 9.252 1.00 0.00 C ATOM 413 CD1 ILE A 25 -15.423 15.434 9.971 1.00 0.00 C ATOM 0 H ILE A 25 -11.888 13.820 10.473 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.869 11.995 11.632 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.497 13.699 9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.244 14.023 11.597 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.774 14.917 11.268 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.904 13.323 8.661 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.997 11.793 8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.982 12.193 10.033 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.769 16.240 10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.789 15.845 9.186 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.282 14.937 9.521 1.00 0.00 H new ATOM 425 N ILE A 26 -12.342 11.047 8.886 1.00 0.00 N ATOM 426 CA ILE A 26 -12.090 9.822 8.073 1.00 0.00 C ATOM 427 C ILE A 26 -11.461 8.724 8.939 1.00 0.00 C ATOM 428 O ILE A 26 -11.791 7.561 8.818 1.00 0.00 O ATOM 429 CB ILE A 26 -11.121 10.272 6.977 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.106 9.237 5.850 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.712 10.413 7.557 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.433 9.840 4.615 1.00 0.00 C ATOM 0 H ILE A 26 -11.867 11.889 8.561 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.008 9.403 7.660 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.447 11.235 6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.570 8.343 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.124 8.930 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.026 10.733 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.720 11.153 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.385 9.453 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.421 9.104 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.987 10.721 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.410 10.125 4.861 1.00 0.00 H new ATOM 444 N GLN A 27 -10.560 9.084 9.809 1.00 0.00 N ATOM 445 CA GLN A 27 -9.909 8.061 10.681 1.00 0.00 C ATOM 446 C GLN A 27 -10.955 7.323 11.520 1.00 0.00 C ATOM 447 O GLN A 27 -10.843 6.138 11.768 1.00 0.00 O ATOM 448 CB GLN A 27 -8.965 8.854 11.585 1.00 0.00 C ATOM 449 CG GLN A 27 -7.517 8.595 11.167 1.00 0.00 C ATOM 450 CD GLN A 27 -6.613 9.682 11.749 1.00 0.00 C ATOM 451 OE1 GLN A 27 -5.593 10.010 11.177 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.946 10.260 12.870 1.00 0.00 N ATOM 0 H GLN A 27 -10.244 10.043 9.956 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.383 7.305 10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.189 9.919 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.111 8.563 12.625 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.196 7.614 11.519 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.438 8.586 10.080 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.802 9.985 13.351 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.350 10.987 13.266 1.00 0.00 H new ATOM 461 N ARG A 28 -11.964 8.012 11.973 1.00 0.00 N ATOM 462 CA ARG A 28 -13.005 7.345 12.805 1.00 0.00 C ATOM 463 C ARG A 28 -13.873 6.413 11.952 1.00 0.00 C ATOM 464 O ARG A 28 -14.161 5.303 12.338 1.00 0.00 O ATOM 465 CB ARG A 28 -13.846 8.489 13.373 1.00 0.00 C ATOM 466 CG ARG A 28 -13.150 9.079 14.601 1.00 0.00 C ATOM 467 CD ARG A 28 -14.202 9.514 15.624 1.00 0.00 C ATOM 468 NE ARG A 28 -13.784 8.876 16.903 1.00 0.00 N ATOM 469 CZ ARG A 28 -13.475 9.619 17.930 1.00 0.00 C ATOM 470 NH1 ARG A 28 -14.404 10.287 18.556 1.00 0.00 N ATOM 471 NH2 ARG A 28 -12.236 9.693 18.333 1.00 0.00 N ATOM 0 H ARG A 28 -12.114 9.007 11.804 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.565 6.726 13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.986 9.261 12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.837 8.125 13.644 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.481 8.341 15.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.536 9.931 14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.236 10.599 15.717 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.199 9.188 15.328 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.739 7.860 16.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.373 10.229 18.243 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.162 10.868 19.359 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.509 9.170 17.845 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.995 10.274 19.136 1.00 0.00 H new ATOM 485 N ALA A 29 -14.298 6.860 10.800 1.00 0.00 N ATOM 486 CA ALA A 29 -15.161 6.011 9.930 1.00 0.00 C ATOM 487 C ALA A 29 -14.466 4.698 9.577 1.00 0.00 C ATOM 488 O ALA A 29 -15.108 3.703 9.302 1.00 0.00 O ATOM 489 CB ALA A 29 -15.387 6.847 8.672 1.00 0.00 C ATOM 0 H ALA A 29 -14.082 7.783 10.423 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.093 5.741 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.016 6.293 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.879 7.782 8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.428 7.063 8.202 1.00 0.00 H new ATOM 495 N LEU A 30 -13.167 4.674 9.592 1.00 0.00 N ATOM 496 CA LEU A 30 -12.462 3.403 9.265 1.00 0.00 C ATOM 497 C LEU A 30 -13.030 2.322 10.164 1.00 0.00 C ATOM 498 O LEU A 30 -13.101 1.160 9.818 1.00 0.00 O ATOM 499 CB LEU A 30 -10.981 3.655 9.573 1.00 0.00 C ATOM 500 CG LEU A 30 -10.540 5.007 8.998 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.041 4.970 8.696 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.306 5.300 7.706 1.00 0.00 C ATOM 0 H LEU A 30 -12.566 5.468 9.813 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.583 3.091 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.819 3.640 10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.373 2.856 9.149 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.750 5.789 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.728 5.931 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.490 4.770 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.835 4.183 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.987 6.262 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.102 4.516 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.375 5.331 7.916 1.00 0.00 H new ATOM 514 N GLU A 31 -13.447 2.726 11.321 1.00 0.00 N ATOM 515 CA GLU A 31 -14.039 1.766 12.284 1.00 0.00 C ATOM 516 C GLU A 31 -15.385 1.260 11.764 1.00 0.00 C ATOM 517 O GLU A 31 -15.706 0.093 11.860 1.00 0.00 O ATOM 518 CB GLU A 31 -14.222 2.555 13.584 1.00 0.00 C ATOM 519 CG GLU A 31 -15.546 3.329 13.582 1.00 0.00 C ATOM 520 CD GLU A 31 -15.609 4.232 14.815 1.00 0.00 C ATOM 521 OE1 GLU A 31 -14.664 4.215 15.587 1.00 0.00 O ATOM 522 OE2 GLU A 31 -16.601 4.926 14.969 1.00 0.00 O ATOM 0 H GLU A 31 -13.404 3.692 11.647 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.407 0.891 12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.198 1.872 14.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.392 3.250 13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.629 3.928 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.386 2.634 13.583 1.00 0.00 H new ATOM 529 N ASN A 32 -16.172 2.140 11.216 1.00 0.00 N ATOM 530 CA ASN A 32 -17.496 1.731 10.690 1.00 0.00 C ATOM 531 C ASN A 32 -17.316 0.612 9.673 1.00 0.00 C ATOM 532 O ASN A 32 -18.029 -0.372 9.677 1.00 0.00 O ATOM 533 CB ASN A 32 -18.059 2.983 10.016 1.00 0.00 C ATOM 534 CG ASN A 32 -19.557 2.799 9.766 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.956 1.913 8.894 1.00 0.00 O flip ATOM 536 ND2 ASN A 32 -20.372 3.469 10.368 1.00 0.00 N flip ATOM 0 H ASN A 32 -15.951 3.130 11.110 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.161 1.359 11.469 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.889 3.856 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.542 3.165 9.074 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.060 4.161 11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -21.368 3.339 10.192 1.00 0.00 H new ATOM 543 N TYR A 33 -16.368 0.763 8.794 1.00 0.00 N ATOM 544 CA TYR A 33 -16.126 -0.257 7.770 1.00 0.00 C ATOM 545 C TYR A 33 -15.260 -1.388 8.331 1.00 0.00 C ATOM 546 O TYR A 33 -14.906 -2.318 7.633 1.00 0.00 O ATOM 547 CB TYR A 33 -15.391 0.514 6.690 1.00 0.00 C ATOM 548 CG TYR A 33 -16.119 0.348 5.387 1.00 0.00 C ATOM 549 CD1 TYR A 33 -17.277 1.092 5.153 1.00 0.00 C ATOM 550 CD2 TYR A 33 -15.651 -0.547 4.422 1.00 0.00 C ATOM 551 CE1 TYR A 33 -17.971 0.943 3.951 1.00 0.00 C ATOM 552 CE2 TYR A 33 -16.343 -0.698 3.216 1.00 0.00 C ATOM 553 CZ TYR A 33 -17.505 0.048 2.980 1.00 0.00 C ATOM 554 OH TYR A 33 -18.192 -0.101 1.792 1.00 0.00 O ATOM 0 H TYR A 33 -15.745 1.570 8.751 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.036 -0.735 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.331 1.569 6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -14.368 0.150 6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.636 1.783 5.902 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.756 -1.122 4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.867 1.518 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.982 -1.388 2.468 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.765 0.680 1.645 1.00 0.00 H new ATOM 564 N GLY A 34 -14.916 -1.318 9.588 1.00 0.00 N ATOM 565 CA GLY A 34 -14.077 -2.385 10.191 1.00 0.00 C ATOM 566 C GLY A 34 -12.787 -2.543 9.386 1.00 0.00 C ATOM 567 O GLY A 34 -12.363 -3.640 9.081 1.00 0.00 O ATOM 0 H GLY A 34 -15.182 -0.565 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.843 -2.136 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.625 -3.327 10.206 1.00 0.00 H new ATOM 571 N ALA A 35 -12.158 -1.453 9.042 1.00 0.00 N ATOM 572 CA ALA A 35 -10.893 -1.539 8.261 1.00 0.00 C ATOM 573 C ALA A 35 -9.700 -1.184 9.155 1.00 0.00 C ATOM 574 O ALA A 35 -9.712 -0.191 9.855 1.00 0.00 O ATOM 575 CB ALA A 35 -11.053 -0.510 7.141 1.00 0.00 C ATOM 0 H ALA A 35 -12.466 -0.507 9.268 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.710 -2.540 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.160 -0.510 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.921 -0.766 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.193 0.480 7.574 1.00 0.00 H new ATOM 581 N ARG A 36 -8.674 -1.991 9.144 1.00 0.00 N ATOM 582 CA ARG A 36 -7.486 -1.707 9.997 1.00 0.00 C ATOM 583 C ARG A 36 -6.234 -1.597 9.129 1.00 0.00 C ATOM 584 O ARG A 36 -6.039 -2.353 8.199 1.00 0.00 O ATOM 585 CB ARG A 36 -7.353 -2.897 10.940 1.00 0.00 C ATOM 586 CG ARG A 36 -8.735 -3.445 11.313 1.00 0.00 C ATOM 587 CD ARG A 36 -8.640 -4.232 12.621 1.00 0.00 C ATOM 588 NE ARG A 36 -9.529 -3.507 13.571 1.00 0.00 N ATOM 589 CZ ARG A 36 -9.904 -4.082 14.680 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.605 -5.181 14.641 1.00 0.00 N ATOM 591 NH2 ARG A 36 -9.575 -3.558 15.830 1.00 0.00 N ATOM 0 H ARG A 36 -8.608 -2.838 8.579 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.600 -0.770 10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.761 -3.680 10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.819 -2.596 11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.445 -2.625 11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.109 -4.088 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.965 -5.264 12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.614 -4.266 12.988 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.844 -2.561 13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.860 -5.591 13.743 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.898 -5.630 15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.025 -2.699 15.861 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.868 -4.007 16.698 1.00 0.00 H new ATOM 605 N VAL A 37 -5.385 -0.665 9.433 1.00 0.00 N ATOM 606 CA VAL A 37 -4.135 -0.499 8.636 1.00 0.00 C ATOM 607 C VAL A 37 -3.018 -1.362 9.229 1.00 0.00 C ATOM 608 O VAL A 37 -2.626 -1.189 10.366 1.00 0.00 O ATOM 609 CB VAL A 37 -3.785 0.985 8.752 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.536 1.332 10.220 1.00 0.00 C ATOM 611 CG2 VAL A 37 -2.522 1.275 7.938 1.00 0.00 C ATOM 0 H VAL A 37 -5.498 -0.005 10.202 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.260 -0.807 7.598 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.609 1.587 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.286 2.389 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.434 1.123 10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.710 0.732 10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.271 2.333 8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.696 0.676 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.698 1.024 6.892 1.00 0.00 H new ATOM 621 N GLU A 38 -2.506 -2.292 8.471 1.00 0.00 N ATOM 622 CA GLU A 38 -1.418 -3.166 8.997 1.00 0.00 C ATOM 623 C GLU A 38 -0.068 -2.738 8.420 1.00 0.00 C ATOM 624 O GLU A 38 0.973 -3.021 8.978 1.00 0.00 O ATOM 625 CB GLU A 38 -1.776 -4.575 8.523 1.00 0.00 C ATOM 626 CG GLU A 38 -1.561 -5.567 9.667 1.00 0.00 C ATOM 627 CD GLU A 38 -0.418 -6.518 9.308 1.00 0.00 C ATOM 628 OE1 GLU A 38 -0.686 -7.521 8.667 1.00 0.00 O ATOM 629 OE2 GLU A 38 0.707 -6.226 9.678 1.00 0.00 O ATOM 0 H GLU A 38 -2.793 -2.485 7.511 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.334 -3.108 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.814 -4.606 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.159 -4.850 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.328 -5.032 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.475 -6.132 9.849 1.00 0.00 H new ATOM 636 N LYS A 39 -0.077 -2.059 7.307 1.00 0.00 N ATOM 637 CA LYS A 39 1.208 -1.617 6.699 1.00 0.00 C ATOM 638 C LYS A 39 0.963 -0.472 5.717 1.00 0.00 C ATOM 639 O LYS A 39 0.297 -0.632 4.712 1.00 0.00 O ATOM 640 CB LYS A 39 1.749 -2.844 5.967 1.00 0.00 C ATOM 641 CG LYS A 39 2.837 -3.503 6.818 1.00 0.00 C ATOM 642 CD LYS A 39 2.284 -4.775 7.461 1.00 0.00 C ATOM 643 CE LYS A 39 2.533 -5.966 6.534 1.00 0.00 C ATOM 644 NZ LYS A 39 2.972 -7.068 7.436 1.00 0.00 N ATOM 0 H LYS A 39 -0.917 -1.792 6.793 1.00 0.00 H new ATOM 0 HA LYS A 39 1.910 -1.249 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.943 -3.552 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.155 -2.554 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.702 -3.742 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.178 -2.812 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.763 -4.945 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.216 -4.665 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.629 -6.238 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.296 -5.736 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.886 -7.978 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.963 -6.917 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.374 -7.080 8.286 1.00 0.00 H new ATOM 658 N VAL A 40 1.493 0.681 6.005 1.00 0.00 N ATOM 659 CA VAL A 40 1.292 1.843 5.094 1.00 0.00 C ATOM 660 C VAL A 40 2.636 2.506 4.783 1.00 0.00 C ATOM 661 O VAL A 40 3.457 2.708 5.656 1.00 0.00 O ATOM 662 CB VAL A 40 0.387 2.794 5.877 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.967 3.019 7.275 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.298 4.132 5.148 1.00 0.00 C ATOM 0 H VAL A 40 2.058 0.871 6.833 1.00 0.00 H new ATOM 0 HA VAL A 40 0.855 1.557 4.138 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.608 2.356 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.321 3.697 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.031 2.066 7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.963 3.454 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.348 4.809 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.294 4.567 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.116 3.977 4.152 1.00 0.00 H new ATOM 674 N GLU A 41 2.871 2.846 3.544 1.00 0.00 N ATOM 675 CA GLU A 41 4.164 3.493 3.185 1.00 0.00 C ATOM 676 C GLU A 41 3.935 4.964 2.829 1.00 0.00 C ATOM 677 O GLU A 41 3.027 5.300 2.095 1.00 0.00 O ATOM 678 CB GLU A 41 4.672 2.719 1.968 1.00 0.00 C ATOM 679 CG GLU A 41 6.031 3.277 1.540 1.00 0.00 C ATOM 680 CD GLU A 41 7.115 2.226 1.784 1.00 0.00 C ATOM 681 OE1 GLU A 41 7.048 1.179 1.161 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.995 2.487 2.588 1.00 0.00 O ATOM 0 H GLU A 41 2.225 2.704 2.768 1.00 0.00 H new ATOM 0 HA GLU A 41 4.879 3.472 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.761 1.660 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.959 2.801 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.007 3.552 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.256 4.184 2.101 1.00 0.00 H new ATOM 689 N GLU A 42 4.751 5.842 3.341 1.00 0.00 N ATOM 690 CA GLU A 42 4.576 7.289 3.027 1.00 0.00 C ATOM 691 C GLU A 42 5.208 7.612 1.669 1.00 0.00 C ATOM 692 O GLU A 42 6.396 7.455 1.473 1.00 0.00 O ATOM 693 CB GLU A 42 5.300 8.030 4.154 1.00 0.00 C ATOM 694 CG GLU A 42 6.813 7.900 3.967 1.00 0.00 C ATOM 695 CD GLU A 42 7.513 8.092 5.314 1.00 0.00 C ATOM 696 OE1 GLU A 42 6.986 7.615 6.306 1.00 0.00 O ATOM 697 OE2 GLU A 42 8.563 8.712 5.330 1.00 0.00 O ATOM 0 H GLU A 42 5.530 5.622 3.962 1.00 0.00 H new ATOM 0 HA GLU A 42 3.527 7.577 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.013 9.081 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.006 7.619 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.056 6.920 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.167 8.643 3.252 1.00 0.00 H new ATOM 704 N LEU A 43 4.419 8.057 0.727 1.00 0.00 N ATOM 705 CA LEU A 43 4.976 8.384 -0.619 1.00 0.00 C ATOM 706 C LEU A 43 5.528 9.813 -0.632 1.00 0.00 C ATOM 707 O LEU A 43 6.717 10.029 -0.753 1.00 0.00 O ATOM 708 CB LEU A 43 3.794 8.257 -1.589 1.00 0.00 C ATOM 709 CG LEU A 43 2.938 7.041 -1.220 1.00 0.00 C ATOM 710 CD1 LEU A 43 2.010 6.698 -2.388 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.842 5.842 -0.923 1.00 0.00 C ATOM 0 H LEU A 43 3.416 8.208 0.831 1.00 0.00 H new ATOM 0 HA LEU A 43 5.798 7.722 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.187 9.162 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.161 8.157 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 43 2.345 7.274 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.401 5.833 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.362 7.548 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.606 6.468 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.229 4.980 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.438 5.609 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.504 6.083 -0.091 1.00 0.00 H new ATOM 723 N GLY A 44 4.673 10.792 -0.507 1.00 0.00 N ATOM 724 CA GLY A 44 5.150 12.203 -0.511 1.00 0.00 C ATOM 725 C GLY A 44 4.054 13.114 0.041 1.00 0.00 C ATOM 726 O GLY A 44 3.699 14.110 -0.557 1.00 0.00 O ATOM 0 H GLY A 44 3.665 10.675 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.052 12.295 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.413 12.506 -1.524 1.00 0.00 H new ATOM 955 N GLY A 58 1.478 17.378 -1.100 1.00 0.00 N ATOM 956 CA GLY A 58 0.073 16.926 -0.874 1.00 0.00 C ATOM 957 C GLY A 58 -0.151 15.564 -1.537 1.00 0.00 C ATOM 958 O GLY A 58 -0.694 15.473 -2.621 1.00 0.00 O ATOM 0 HA2 GLY A 58 -0.128 16.857 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.624 17.658 -1.283 1.00 0.00 H new ATOM 962 N TYR A 59 0.263 14.504 -0.896 1.00 0.00 N ATOM 963 CA TYR A 59 0.072 13.148 -1.492 1.00 0.00 C ATOM 964 C TYR A 59 -0.454 12.169 -0.436 1.00 0.00 C ATOM 965 O TYR A 59 -0.096 12.238 0.722 1.00 0.00 O ATOM 966 CB TYR A 59 1.463 12.731 -1.964 1.00 0.00 C ATOM 967 CG TYR A 59 1.352 11.948 -3.249 1.00 0.00 C ATOM 968 CD1 TYR A 59 1.369 12.615 -4.479 1.00 0.00 C ATOM 969 CD2 TYR A 59 1.233 10.553 -3.211 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.266 11.888 -5.671 1.00 0.00 C ATOM 971 CE2 TYR A 59 1.132 9.826 -4.403 1.00 0.00 C ATOM 972 CZ TYR A 59 1.148 10.493 -5.634 1.00 0.00 C ATOM 973 OH TYR A 59 1.048 9.778 -6.810 1.00 0.00 O ATOM 0 H TYR A 59 0.725 14.517 0.013 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.654 13.152 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.085 13.613 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.951 12.126 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.462 13.691 -4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.219 10.038 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.278 12.403 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.042 8.750 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 59 0.974 8.822 -6.606 1.00 0.00 H new ATOM 983 N PHE A 60 -1.296 11.253 -0.829 1.00 0.00 N ATOM 984 CA PHE A 60 -1.838 10.267 0.150 1.00 0.00 C ATOM 985 C PHE A 60 -1.017 8.974 0.113 1.00 0.00 C ATOM 986 O PHE A 60 -0.500 8.576 -0.912 1.00 0.00 O ATOM 987 CB PHE A 60 -3.285 10.012 -0.265 1.00 0.00 C ATOM 988 CG PHE A 60 -4.208 10.638 0.751 1.00 0.00 C ATOM 989 CD1 PHE A 60 -4.046 11.981 1.109 1.00 0.00 C ATOM 990 CD2 PHE A 60 -5.229 9.875 1.331 1.00 0.00 C ATOM 991 CE1 PHE A 60 -4.906 12.563 2.047 1.00 0.00 C ATOM 992 CE2 PHE A 60 -6.090 10.458 2.270 1.00 0.00 C ATOM 993 CZ PHE A 60 -5.928 11.803 2.628 1.00 0.00 C ATOM 0 H PHE A 60 -1.633 11.144 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.786 10.642 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.473 10.433 -1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.473 8.941 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.258 12.568 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.353 8.838 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.781 13.600 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.878 9.871 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.591 12.253 3.352 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.881 8.338 1.238 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.075 7.077 1.318 1.00 0.00 C ATOM 1005 C LEU A 61 -0.982 5.837 1.327 1.00 0.00 C ATOM 1006 O LEU A 61 -2.106 5.878 1.784 1.00 0.00 O ATOM 1007 CB LEU A 61 0.727 7.173 2.625 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.147 7.745 3.744 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.239 7.100 5.075 1.00 0.00 C ATOM 1010 CD2 LEU A 61 0.067 9.257 3.836 1.00 0.00 C ATOM 0 H LEU A 61 -1.296 8.636 2.121 1.00 0.00 H new ATOM 0 HA LEU A 61 0.579 6.973 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.093 6.186 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.601 7.807 2.477 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.194 7.535 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.384 7.508 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.090 6.022 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.287 7.310 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.555 9.665 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.115 9.464 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.206 9.721 2.889 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.494 4.737 0.805 1.00 0.00 N ATOM 1023 CA TRP A 62 -1.315 3.487 0.758 1.00 0.00 C ATOM 1024 C TRP A 62 -1.190 2.729 2.088 1.00 0.00 C ATOM 1025 O TRP A 62 -0.214 2.862 2.800 1.00 0.00 O ATOM 1026 CB TRP A 62 -0.733 2.681 -0.423 1.00 0.00 C ATOM 1027 CG TRP A 62 -0.141 1.383 0.047 1.00 0.00 C ATOM 1028 CD1 TRP A 62 -0.848 0.355 0.567 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.255 0.968 0.060 1.00 0.00 C ATOM 1030 NE1 TRP A 62 0.023 -0.670 0.888 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.331 -0.341 0.595 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.451 1.590 -0.340 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.550 -1.006 0.730 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.680 0.923 -0.205 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.729 -0.372 0.327 1.00 0.00 C ATOM 0 H TRP A 62 0.442 4.652 0.408 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.379 3.677 0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.517 2.483 -1.154 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.032 3.271 -0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.919 0.337 0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.266 -1.561 1.292 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.425 2.587 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.583 -2.003 1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.593 1.412 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 62 4.677 -0.880 0.426 1.00 0.00 H new ATOM 1046 N TYR A 63 -2.181 1.952 2.436 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.131 1.213 3.720 1.00 0.00 C ATOM 1048 C TYR A 63 -2.570 -0.237 3.520 1.00 0.00 C ATOM 1049 O TYR A 63 -3.358 -0.541 2.646 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.112 1.949 4.628 1.00 0.00 C ATOM 1051 CG TYR A 63 -4.389 2.240 3.876 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -4.438 3.299 2.959 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -5.527 1.454 4.095 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -5.621 3.569 2.262 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -6.710 1.724 3.399 1.00 0.00 C ATOM 1056 CZ TYR A 63 -6.757 2.781 2.483 1.00 0.00 C ATOM 1057 OH TYR A 63 -7.923 3.047 1.796 1.00 0.00 O ATOM 0 H TYR A 63 -3.023 1.800 1.881 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.125 1.180 4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.328 1.345 5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.667 2.880 4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.562 3.907 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.491 0.638 4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.658 4.384 1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.587 1.117 3.569 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.615 2.407 2.065 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.075 -1.134 4.327 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.482 -2.558 4.179 1.00 0.00 C ATOM 1069 C GLN A 64 -3.722 -2.795 5.036 1.00 0.00 C ATOM 1070 O GLN A 64 -3.807 -2.351 6.164 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.296 -3.375 4.689 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.509 -3.923 3.496 1.00 0.00 C ATOM 1073 CD GLN A 64 0.046 -5.307 3.840 1.00 0.00 C ATOM 1074 OE1 GLN A 64 -0.209 -5.829 4.907 1.00 0.00 O ATOM 1075 NE2 GLN A 64 0.798 -5.927 2.974 1.00 0.00 N ATOM 0 H GLN A 64 -1.411 -0.944 5.077 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.726 -2.833 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.651 -2.753 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.647 -4.195 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.154 -3.986 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.307 -3.245 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.012 -5.489 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.172 -6.850 3.192 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.705 -3.442 4.486 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.969 -3.655 5.235 1.00 0.00 C ATOM 1086 C VAL A 65 -6.304 -5.142 5.357 1.00 0.00 C ATOM 1087 O VAL A 65 -5.637 -5.986 4.800 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.997 -2.940 4.366 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.529 -1.510 4.126 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -7.096 -3.641 3.012 1.00 0.00 C ATOM 0 H VAL A 65 -4.688 -3.835 3.545 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.926 -3.285 6.259 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.965 -2.951 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.257 -0.988 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.431 -0.994 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.564 -1.523 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.831 -3.130 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.124 -3.618 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.403 -4.676 3.160 1.00 0.00 H new ATOM 1100 N GLU A 66 -7.339 -5.460 6.085 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.740 -6.887 6.246 1.00 0.00 C ATOM 1102 C GLU A 66 -9.208 -7.050 5.841 1.00 0.00 C ATOM 1103 O GLU A 66 -10.097 -7.048 6.669 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.551 -7.193 7.732 1.00 0.00 C ATOM 1105 CG GLU A 66 -8.105 -8.585 8.038 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.976 -8.526 9.295 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.419 -8.431 10.375 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -10.187 -8.578 9.155 1.00 0.00 O ATOM 0 H GLU A 66 -7.928 -4.789 6.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.153 -7.562 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.494 -7.145 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.063 -6.445 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.691 -8.948 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.286 -9.289 8.184 1.00 0.00 H new ATOM 1115 N MET A 67 -9.467 -7.174 4.568 1.00 0.00 N ATOM 1116 CA MET A 67 -10.876 -7.317 4.097 1.00 0.00 C ATOM 1117 C MET A 67 -10.994 -8.471 3.096 1.00 0.00 C ATOM 1118 O MET A 67 -10.023 -8.864 2.480 1.00 0.00 O ATOM 1119 CB MET A 67 -11.203 -5.986 3.420 1.00 0.00 C ATOM 1120 CG MET A 67 -10.421 -5.872 2.110 1.00 0.00 C ATOM 1121 SD MET A 67 -10.549 -4.182 1.476 1.00 0.00 S ATOM 1122 CE MET A 67 -9.005 -4.179 0.533 1.00 0.00 C ATOM 0 H MET A 67 -8.762 -7.183 3.831 1.00 0.00 H new ATOM 0 HA MET A 67 -11.561 -7.541 4.915 1.00 0.00 H new ATOM 0 HB2 MET A 67 -12.273 -5.919 3.224 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.948 -5.158 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.375 -6.132 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.813 -6.577 1.377 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.722 -3.152 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.218 -4.648 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.144 -4.735 -0.394 1.00 0.00 H new ATOM 1132 N PRO A 68 -12.192 -8.978 2.975 1.00 0.00 N ATOM 1133 CA PRO A 68 -12.460 -10.104 2.043 1.00 0.00 C ATOM 1134 C PRO A 68 -12.274 -9.659 0.588 1.00 0.00 C ATOM 1135 O PRO A 68 -12.102 -8.491 0.303 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.916 -10.468 2.334 1.00 0.00 C ATOM 1137 CG PRO A 68 -14.508 -9.225 2.912 1.00 0.00 C ATOM 1138 CD PRO A 68 -13.404 -8.548 3.678 1.00 0.00 C ATOM 0 HA PRO A 68 -11.783 -10.947 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.438 -10.770 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.984 -11.301 3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.891 -8.575 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.347 -9.462 3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.513 -7.463 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.393 -8.856 4.724 1.00 0.00 H new ATOM 1146 N GLU A 69 -12.293 -10.585 -0.331 1.00 0.00 N ATOM 1147 CA GLU A 69 -12.098 -10.223 -1.765 1.00 0.00 C ATOM 1148 C GLU A 69 -13.337 -9.525 -2.338 1.00 0.00 C ATOM 1149 O GLU A 69 -13.261 -8.840 -3.338 1.00 0.00 O ATOM 1150 CB GLU A 69 -11.858 -11.558 -2.474 1.00 0.00 C ATOM 1151 CG GLU A 69 -13.186 -12.301 -2.639 1.00 0.00 C ATOM 1152 CD GLU A 69 -12.921 -13.703 -3.193 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -12.348 -13.795 -4.266 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -13.296 -14.659 -2.535 1.00 0.00 O ATOM 0 H GLU A 69 -12.435 -11.579 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.271 -9.525 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.403 -11.386 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.159 -12.166 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.699 -12.368 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.842 -11.750 -3.313 1.00 0.00 H new ATOM 1161 N ASP A 70 -14.479 -9.697 -1.729 1.00 0.00 N ATOM 1162 CA ASP A 70 -15.705 -9.041 -2.273 1.00 0.00 C ATOM 1163 C ASP A 70 -15.839 -7.615 -1.738 1.00 0.00 C ATOM 1164 O ASP A 70 -16.250 -6.715 -2.443 1.00 0.00 O ATOM 1165 CB ASP A 70 -16.870 -9.908 -1.792 1.00 0.00 C ATOM 1166 CG ASP A 70 -17.108 -9.666 -0.300 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -17.582 -8.593 0.036 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.812 -10.556 0.480 1.00 0.00 O ATOM 0 H ASP A 70 -14.617 -10.257 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.675 -8.963 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.771 -9.670 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.651 -10.961 -1.970 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.495 -7.398 -0.501 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.601 -6.036 0.068 1.00 0.00 C ATOM 1175 C ARG A 71 -14.456 -5.164 -0.448 1.00 0.00 C ATOM 1176 O ARG A 71 -14.387 -3.983 -0.170 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.498 -6.231 1.581 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.115 -5.026 2.294 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.880 -5.504 3.530 1.00 0.00 C ATOM 1180 NE ARG A 71 -15.851 -6.150 4.389 1.00 0.00 N ATOM 1181 CZ ARG A 71 -15.661 -5.727 5.610 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -15.027 -4.607 5.822 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -16.104 -6.428 6.616 1.00 0.00 N ATOM 0 H ARG A 71 -15.144 -8.110 0.139 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.529 -5.537 -0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.013 -7.145 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.454 -6.345 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.335 -4.323 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.787 -4.495 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.359 -4.671 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.668 -6.207 3.260 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.294 -6.923 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.679 -4.061 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -14.879 -4.277 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.598 -7.305 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.957 -6.100 7.570 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.553 -5.739 -1.196 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.414 -4.940 -1.725 1.00 0.00 C ATOM 1199 C VAL A 72 -12.925 -3.842 -2.656 1.00 0.00 C ATOM 1200 O VAL A 72 -12.507 -2.704 -2.579 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.546 -5.946 -2.483 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -12.207 -6.319 -3.812 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.179 -5.324 -2.755 1.00 0.00 C ATOM 0 H VAL A 72 -13.556 -6.724 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.853 -4.439 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.432 -6.846 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.579 -7.036 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.183 -6.764 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.329 -5.424 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.556 -6.037 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.302 -4.422 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.701 -5.068 -1.809 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.834 -4.170 -3.527 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.380 -3.140 -4.453 1.00 0.00 C ATOM 1215 C ASN A 73 -15.176 -2.109 -3.653 1.00 0.00 C ATOM 1216 O ASN A 73 -15.112 -0.924 -3.909 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.299 -3.909 -5.405 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.238 -2.933 -6.118 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.438 -3.121 -6.121 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.740 -1.890 -6.723 1.00 0.00 N ATOM 0 H ASN A 73 -14.223 -5.106 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.601 -2.603 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.704 -4.456 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.879 -4.646 -4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.358 -1.233 -7.198 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.732 -1.732 -6.721 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.926 -2.559 -2.687 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.734 -1.629 -1.861 1.00 0.00 C ATOM 1229 C ASP A 74 -15.827 -0.725 -1.016 1.00 0.00 C ATOM 1230 O ASP A 74 -16.033 0.468 -0.928 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.574 -2.541 -0.966 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.779 -1.768 -0.428 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.849 -0.574 -0.668 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.613 -2.385 0.215 1.00 0.00 O ATOM 0 H ASP A 74 -16.013 -3.543 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.349 -0.964 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.910 -3.411 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.969 -2.912 -0.139 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.832 -1.290 -0.384 1.00 0.00 N ATOM 1240 CA LEU A 75 -13.919 -0.484 0.464 1.00 0.00 C ATOM 1241 C LEU A 75 -13.274 0.656 -0.335 1.00 0.00 C ATOM 1242 O LEU A 75 -13.302 1.804 0.061 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.846 -1.489 0.918 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.377 -1.194 2.353 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -12.693 0.253 2.725 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.091 -2.137 3.323 1.00 0.00 C ATOM 0 H LEU A 75 -14.615 -2.286 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.443 -0.012 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.247 -2.501 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.995 -1.447 0.239 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.300 -1.347 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.356 0.449 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.180 0.926 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.768 0.419 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.761 -1.930 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.168 -1.984 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.854 -3.170 3.067 1.00 0.00 H new ATOM 1258 N ALA A 76 -12.695 0.341 -1.455 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.040 1.386 -2.299 1.00 0.00 C ATOM 1260 C ALA A 76 -13.097 2.350 -2.814 1.00 0.00 C ATOM 1261 O ALA A 76 -12.889 3.543 -2.930 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.396 0.622 -3.455 1.00 0.00 C ATOM 0 H ALA A 76 -12.644 -0.606 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.303 1.971 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.894 1.324 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.669 -0.088 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.165 0.084 -4.009 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.225 1.811 -3.140 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.346 2.618 -3.678 1.00 0.00 C ATOM 1270 C ARG A 77 -15.707 3.773 -2.735 1.00 0.00 C ATOM 1271 O ARG A 77 -16.114 4.831 -3.171 1.00 0.00 O ATOM 1272 CB ARG A 77 -16.478 1.604 -3.745 1.00 0.00 C ATOM 1273 CG ARG A 77 -16.763 1.248 -5.206 1.00 0.00 C ATOM 1274 CD ARG A 77 -17.965 0.305 -5.278 1.00 0.00 C ATOM 1275 NE ARG A 77 -18.994 1.054 -6.053 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.147 0.500 -6.317 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.492 -0.606 -5.717 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -20.957 1.053 -7.180 1.00 0.00 N ATOM 0 H ARG A 77 -14.426 0.815 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.117 3.087 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.209 0.707 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.374 2.013 -3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.963 2.153 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.889 0.774 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.703 -0.631 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.328 0.051 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.798 2.001 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.861 -1.038 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.392 -1.039 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.689 1.919 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.857 0.619 -7.385 1.00 0.00 H new ATOM 1292 N GLU A 78 -15.570 3.586 -1.452 1.00 0.00 N ATOM 1293 CA GLU A 78 -15.917 4.686 -0.504 1.00 0.00 C ATOM 1294 C GLU A 78 -14.981 5.881 -0.704 1.00 0.00 C ATOM 1295 O GLU A 78 -15.413 7.013 -0.788 1.00 0.00 O ATOM 1296 CB GLU A 78 -15.718 4.092 0.892 1.00 0.00 C ATOM 1297 CG GLU A 78 -16.415 2.735 0.976 1.00 0.00 C ATOM 1298 CD GLU A 78 -17.636 2.845 1.892 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.476 3.316 3.006 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.711 2.456 1.463 1.00 0.00 O ATOM 0 H GLU A 78 -15.235 2.725 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.934 5.046 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.654 3.979 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.122 4.767 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.721 2.409 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.726 1.983 1.360 1.00 0.00 H new ATOM 1307 N LEU A 79 -13.702 5.635 -0.774 1.00 0.00 N ATOM 1308 CA LEU A 79 -12.736 6.757 -0.960 1.00 0.00 C ATOM 1309 C LEU A 79 -12.955 7.444 -2.311 1.00 0.00 C ATOM 1310 O LEU A 79 -12.914 8.653 -2.416 1.00 0.00 O ATOM 1311 CB LEU A 79 -11.353 6.100 -0.919 1.00 0.00 C ATOM 1312 CG LEU A 79 -10.819 6.101 0.515 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.877 7.519 1.081 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.676 5.174 1.377 1.00 0.00 C ATOM 0 H LEU A 79 -13.283 4.707 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.854 7.524 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.415 5.078 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.666 6.637 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.787 5.751 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.497 7.519 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.267 8.181 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.909 7.870 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.297 5.174 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.708 5.525 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.635 4.162 0.974 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.173 6.684 -3.348 1.00 0.00 N ATOM 1327 CA ARG A 80 -13.378 7.298 -4.692 1.00 0.00 C ATOM 1328 C ARG A 80 -14.667 8.123 -4.728 1.00 0.00 C ATOM 1329 O ARG A 80 -14.796 9.051 -5.500 1.00 0.00 O ATOM 1330 CB ARG A 80 -13.481 6.117 -5.654 1.00 0.00 C ATOM 1331 CG ARG A 80 -13.334 6.619 -7.090 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.653 6.414 -7.839 1.00 0.00 C ATOM 1333 NE ARG A 80 -14.300 5.579 -9.019 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.065 5.588 -10.076 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -16.323 5.253 -9.974 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -14.574 5.935 -11.234 1.00 0.00 N ATOM 0 H ARG A 80 -13.218 5.665 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.566 7.977 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.705 5.384 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.440 5.614 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.063 7.675 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.530 6.082 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.391 5.916 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.085 7.367 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.460 5.000 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.707 4.984 -9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.921 5.260 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.592 6.199 -11.313 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.172 5.942 -12.060 1.00 0.00 H new ATOM 1350 N ILE A 81 -15.628 7.786 -3.915 1.00 0.00 N ATOM 1351 CA ILE A 81 -16.909 8.546 -3.926 1.00 0.00 C ATOM 1352 C ILE A 81 -16.763 9.893 -3.209 1.00 0.00 C ATOM 1353 O ILE A 81 -17.580 10.776 -3.375 1.00 0.00 O ATOM 1354 CB ILE A 81 -17.902 7.646 -3.190 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -18.347 6.521 -4.124 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.122 8.465 -2.762 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -19.462 5.712 -3.459 1.00 0.00 C ATOM 0 H ILE A 81 -15.583 7.019 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.233 8.779 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.425 7.224 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.699 6.937 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.502 5.872 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -19.827 7.820 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.805 9.271 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.603 8.888 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.778 4.910 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.094 5.284 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.310 6.365 -3.249 1.00 0.00 H new ATOM 1369 N ARG A 82 -15.746 10.066 -2.409 1.00 0.00 N ATOM 1370 CA ARG A 82 -15.602 11.369 -1.697 1.00 0.00 C ATOM 1371 C ARG A 82 -15.209 12.478 -2.662 1.00 0.00 C ATOM 1372 O ARG A 82 -14.704 12.248 -3.742 1.00 0.00 O ATOM 1373 CB ARG A 82 -14.512 11.176 -0.654 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.279 12.492 0.092 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.344 12.249 1.280 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.139 12.633 2.479 1.00 0.00 N ATOM 1377 CZ ARG A 82 -13.972 11.991 3.604 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -13.056 12.380 4.448 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -14.726 10.964 3.887 1.00 0.00 N ATOM 0 H ARG A 82 -15.020 9.375 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.547 11.661 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.801 10.394 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.589 10.849 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.844 13.231 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.229 12.898 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.032 11.206 1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.438 12.849 1.198 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.813 13.396 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.470 13.186 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.926 11.878 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.445 10.663 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.596 10.462 4.766 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.453 13.680 -2.257 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.122 14.861 -3.108 1.00 0.00 C ATOM 1395 C ASP A 83 -13.611 15.121 -3.142 1.00 0.00 C ATOM 1396 O ASP A 83 -13.033 15.350 -4.186 1.00 0.00 O ATOM 1397 CB ASP A 83 -15.851 16.033 -2.452 1.00 0.00 C ATOM 1398 CG ASP A 83 -15.511 16.082 -0.961 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -14.417 16.515 -0.637 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -16.350 15.688 -0.169 1.00 0.00 O ATOM 0 H ASP A 83 -15.875 13.908 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.426 14.707 -4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.562 16.968 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.927 15.925 -2.586 1.00 0.00 H new ATOM 1405 N ASN A 84 -12.976 15.119 -2.001 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.510 15.402 -1.953 1.00 0.00 C ATOM 1407 C ASN A 84 -10.694 14.256 -2.555 1.00 0.00 C ATOM 1408 O ASN A 84 -9.537 14.422 -2.885 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.191 15.562 -0.468 1.00 0.00 C ATOM 1410 CG ASN A 84 -11.768 16.884 0.036 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -12.662 16.897 0.859 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.290 18.006 -0.429 1.00 0.00 N ATOM 0 H ASN A 84 -13.410 14.933 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.256 16.288 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.611 14.730 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.112 15.540 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.667 18.895 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.540 17.993 -1.120 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.270 13.098 -2.701 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.499 11.962 -3.280 1.00 0.00 C ATOM 1421 C VAL A 85 -10.497 12.052 -4.810 1.00 0.00 C ATOM 1422 O VAL A 85 -11.535 12.078 -5.440 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.231 10.707 -2.804 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -10.831 9.517 -3.675 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -10.853 10.420 -1.350 1.00 0.00 C ATOM 0 H VAL A 85 -12.235 12.888 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.455 11.962 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.307 10.866 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.354 8.624 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.098 9.719 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.755 9.358 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.374 9.525 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.777 10.263 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.139 11.267 -0.726 1.00 0.00 H new ATOM 1435 N ARG A 86 -9.338 12.099 -5.415 1.00 0.00 N ATOM 1436 CA ARG A 86 -9.283 12.187 -6.902 1.00 0.00 C ATOM 1437 C ARG A 86 -9.359 10.788 -7.516 1.00 0.00 C ATOM 1438 O ARG A 86 -9.971 10.587 -8.546 1.00 0.00 O ATOM 1439 CB ARG A 86 -7.935 12.839 -7.220 1.00 0.00 C ATOM 1440 CG ARG A 86 -8.083 13.739 -8.448 1.00 0.00 C ATOM 1441 CD ARG A 86 -6.729 13.885 -9.148 1.00 0.00 C ATOM 1442 NE ARG A 86 -6.897 15.039 -10.076 1.00 0.00 N ATOM 1443 CZ ARG A 86 -6.148 16.098 -9.944 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -4.926 15.984 -9.500 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -6.620 17.274 -10.256 1.00 0.00 N ATOM 0 H ARG A 86 -8.433 12.080 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.115 12.761 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.591 13.423 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.183 12.072 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.815 13.315 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.456 14.719 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.931 14.070 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.465 12.977 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.599 15.000 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.556 15.065 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.341 16.813 -9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.575 17.365 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.034 18.103 -10.153 1.00 0.00 H new ATOM 1459 N ARG A 87 -8.745 9.815 -6.895 1.00 0.00 N ATOM 1460 CA ARG A 87 -8.794 8.437 -7.456 1.00 0.00 C ATOM 1461 C ARG A 87 -8.164 7.438 -6.477 1.00 0.00 C ATOM 1462 O ARG A 87 -7.187 7.726 -5.815 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.008 8.543 -8.771 1.00 0.00 C ATOM 1464 CG ARG A 87 -6.939 7.446 -8.882 1.00 0.00 C ATOM 1465 CD ARG A 87 -6.178 7.610 -10.201 1.00 0.00 C ATOM 1466 NE ARG A 87 -5.248 8.750 -9.968 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.061 9.644 -10.902 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -5.919 10.615 -11.058 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -4.015 9.567 -11.678 1.00 0.00 N ATOM 0 H ARG A 87 -8.215 9.916 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.807 8.073 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.696 8.468 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.533 9.522 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.249 7.509 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.406 6.462 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.633 6.702 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.859 7.818 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.757 8.833 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.736 10.676 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.772 11.313 -11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.344 8.809 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.869 10.265 -12.407 1.00 0.00 H new ATOM 1483 N VAL A 88 -8.724 6.265 -6.390 1.00 0.00 N ATOM 1484 CA VAL A 88 -8.176 5.237 -5.468 1.00 0.00 C ATOM 1485 C VAL A 88 -7.958 3.922 -6.224 1.00 0.00 C ATOM 1486 O VAL A 88 -8.868 3.378 -6.814 1.00 0.00 O ATOM 1487 CB VAL A 88 -9.249 5.067 -4.398 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.498 6.407 -3.704 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -10.548 4.580 -5.044 1.00 0.00 C ATOM 0 H VAL A 88 -9.544 5.974 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.215 5.524 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.912 4.334 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.265 6.284 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.575 6.753 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.832 7.140 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.313 4.459 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.884 5.310 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.373 3.623 -5.536 1.00 0.00 H new ATOM 1499 N MET A 89 -6.757 3.409 -6.214 1.00 0.00 N ATOM 1500 CA MET A 89 -6.490 2.133 -6.939 1.00 0.00 C ATOM 1501 C MET A 89 -6.377 0.971 -5.948 1.00 0.00 C ATOM 1502 O MET A 89 -5.589 1.006 -5.023 1.00 0.00 O ATOM 1503 CB MET A 89 -5.160 2.359 -7.659 1.00 0.00 C ATOM 1504 CG MET A 89 -5.386 2.324 -9.171 1.00 0.00 C ATOM 1505 SD MET A 89 -5.800 0.638 -9.681 1.00 0.00 S ATOM 1506 CE MET A 89 -6.166 1.007 -11.415 1.00 0.00 C ATOM 0 H MET A 89 -5.952 3.816 -5.737 1.00 0.00 H new ATOM 0 HA MET A 89 -7.291 1.877 -7.633 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.734 3.319 -7.366 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.443 1.591 -7.370 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.191 3.006 -9.445 1.00 0.00 H new ATOM 0 HG3 MET A 89 -4.490 2.663 -9.691 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.450 0.089 -11.930 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.986 1.723 -11.469 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.282 1.432 -11.891 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.156 -0.058 -6.137 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.093 -1.223 -5.208 1.00 0.00 C ATOM 1518 C VAL A 90 -6.239 -2.338 -5.819 1.00 0.00 C ATOM 1519 O VAL A 90 -6.586 -2.915 -6.831 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.544 -1.683 -5.049 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -9.032 -2.297 -6.360 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.625 -2.730 -3.935 1.00 0.00 C ATOM 0 H VAL A 90 -7.834 -0.143 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.641 -0.965 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.171 -0.828 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.065 -2.624 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.973 -1.553 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.407 -3.152 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.658 -3.059 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.998 -3.584 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.277 -2.293 -2.999 1.00 0.00 H new ATOM 1532 N VAL A 91 -5.124 -2.646 -5.216 1.00 0.00 N ATOM 1533 CA VAL A 91 -4.251 -3.723 -5.768 1.00 0.00 C ATOM 1534 C VAL A 91 -4.157 -4.879 -4.768 1.00 0.00 C ATOM 1535 O VAL A 91 -4.287 -4.691 -3.576 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.870 -3.082 -5.975 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.133 -3.814 -7.099 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -3.024 -1.604 -6.358 1.00 0.00 C ATOM 0 H VAL A 91 -4.779 -2.200 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.645 -4.126 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.304 -3.156 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.153 -3.360 -7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.010 -4.863 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.710 -3.740 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.039 -1.161 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.596 -1.525 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.547 -1.074 -5.562 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.936 -6.074 -5.244 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.839 -7.236 -4.315 1.00 0.00 C ATOM 1550 C LYS A 92 -2.428 -7.323 -3.727 1.00 0.00 C ATOM 1551 O LYS A 92 -1.467 -6.892 -4.331 1.00 0.00 O ATOM 1552 CB LYS A 92 -4.142 -8.464 -5.177 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.954 -8.748 -6.099 1.00 0.00 C ATOM 1554 CD LYS A 92 -3.324 -9.859 -7.084 1.00 0.00 C ATOM 1555 CE LYS A 92 -2.102 -10.747 -7.329 1.00 0.00 C ATOM 1556 NZ LYS A 92 -2.638 -11.967 -7.993 1.00 0.00 N ATOM 0 H LYS A 92 -3.819 -6.296 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.529 -7.153 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.337 -9.328 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.042 -8.293 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.677 -7.844 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.086 -9.044 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.146 -10.454 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.668 -9.427 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.369 -10.244 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.601 -10.995 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.858 -12.625 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.328 -12.429 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.103 -11.701 -8.884 1.00 0.00 H new ATOM 1570 N SER A 93 -2.295 -7.878 -2.554 1.00 0.00 N ATOM 1571 CA SER A 93 -0.945 -7.988 -1.933 1.00 0.00 C ATOM 1572 C SER A 93 -0.023 -8.817 -2.830 1.00 0.00 C ATOM 1573 O SER A 93 -0.396 -9.220 -3.913 1.00 0.00 O ATOM 1574 CB SER A 93 -1.181 -8.698 -0.601 1.00 0.00 C ATOM 1575 OG SER A 93 -0.549 -7.965 0.441 1.00 0.00 O ATOM 0 H SER A 93 -3.061 -8.260 -1.999 1.00 0.00 H new ATOM 0 HA SER A 93 -0.468 -7.017 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.250 -8.782 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.783 -9.712 -0.641 1.00 0.00 H new ATOM 0 HG SER A 93 -0.700 -8.417 1.297 1.00 0.00 H new