USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= 0.0753 K(o=0.075,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0837) USER MOD Single : A 29 SER OG : rot 64:sc= 1.04 USER MOD Single : A 32 SER OG : rot -38:sc= 0.135 USER MOD Single : A 33 SER OG : rot -135:sc= -1.1 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 26:sc= -0.274 USER MOD Single : A 43 THR OG1 : rot -67:sc= -1.48 USER MOD Single : A 49 MET CE :methyl 148:sc= -0.209 (180deg=-1.11) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.427) USER MOD Single : A 56 GLN : amide:sc= -3.43! C(o=-3.4!,f=-5.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 168:sc= 0 (180deg=-0.232) USER MOD Single : A 62 SER OG : rot 180:sc= -3.51! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0182 K(o=-0.018,f=-2.8!) USER MOD Single : A 76 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6.6!) USER MOD Single : A 77 THR OG1 : rot 96:sc= 0.161 USER MOD Single : A 83 MET CE :methyl -155:sc= -0.0448 (180deg=-1.24) USER MOD Single : A 86 ASN : amide:sc= -0.0485 X(o=-0.049,f=-0.2) USER MOD Single : A 92 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.03) USER MOD Single : A 95 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.574 -0.097 -0.963 1.00 0.00 C ATOM 4 O GLU A 21 4.127 0.727 -0.236 1.00 0.00 O ATOM 5 CB GLU A 21 1.751 1.242 -2.079 1.00 0.00 C ATOM 6 CG GLU A 21 0.256 1.321 -2.391 1.00 0.00 C ATOM 7 CD GLU A 21 -0.297 -0.053 -2.776 1.00 0.00 C ATOM 8 OE1 GLU A 21 -1.001 -0.685 -1.975 1.00 0.00 O ATOM 9 OE2 GLU A 21 0.028 -0.460 -3.956 1.00 0.00 O ATOM 0 HA GLU A 21 1.775 -0.874 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.061 2.137 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.319 1.217 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.281 1.703 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.087 2.026 -3.205 1.00 0.00 H new ATOM 17 N THR A 22 4.190 -1.111 -1.552 1.00 0.00 N ATOM 18 CA THR A 22 5.616 -1.327 -1.373 1.00 0.00 C ATOM 19 C THR A 22 6.398 -0.715 -2.538 1.00 0.00 C ATOM 20 O THR A 22 6.098 -0.983 -3.700 1.00 0.00 O ATOM 21 CB THR A 22 5.850 -2.830 -1.207 1.00 0.00 C ATOM 22 OG1 THR A 22 6.365 -2.956 0.116 1.00 0.00 O ATOM 23 CG2 THR A 22 6.980 -3.349 -2.098 1.00 0.00 C ATOM 0 H THR A 22 3.728 -1.793 -2.154 1.00 0.00 H new ATOM 0 HA THR A 22 5.983 -0.826 -0.477 1.00 0.00 H new ATOM 0 HB THR A 22 4.931 -3.368 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.544 -3.900 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.104 -4.420 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.735 -3.161 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.908 -2.835 -1.845 1.00 0.00 H new ATOM 31 N HIS A 23 7.386 0.094 -2.185 1.00 0.00 N ATOM 32 CA HIS A 23 8.213 0.746 -3.186 1.00 0.00 C ATOM 33 C HIS A 23 9.351 -0.190 -3.599 1.00 0.00 C ATOM 34 O HIS A 23 10.112 -0.659 -2.754 1.00 0.00 O ATOM 35 CB HIS A 23 8.714 2.100 -2.679 1.00 0.00 C ATOM 36 CG HIS A 23 7.612 3.076 -2.345 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.290 2.863 -2.694 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.648 4.272 -1.689 1.00 0.00 C ATOM 39 CE1 HIS A 23 5.572 3.890 -2.264 1.00 0.00 C ATOM 40 NE2 HIS A 23 6.416 4.763 -1.642 1.00 0.00 N ATOM 0 H HIS A 23 7.632 0.313 -1.220 1.00 0.00 H new ATOM 0 HA HIS A 23 7.618 0.954 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.326 1.940 -1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.361 2.543 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.530 4.740 -1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.506 4.014 -2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.145 5.647 -1.212 1.00 0.00 H new ATOM 48 N ILE A 24 9.431 -0.434 -4.899 1.00 0.00 N ATOM 49 CA ILE A 24 10.463 -1.305 -5.435 1.00 0.00 C ATOM 50 C ILE A 24 10.697 -0.965 -6.908 1.00 0.00 C ATOM 51 O ILE A 24 10.065 -0.058 -7.448 1.00 0.00 O ATOM 52 CB ILE A 24 10.104 -2.772 -5.193 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.831 -3.158 -5.949 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.994 -3.070 -3.696 1.00 0.00 C ATOM 55 CD1 ILE A 24 8.707 -4.677 -6.077 1.00 0.00 C ATOM 0 H ILE A 24 8.798 -0.044 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 24 11.407 -1.141 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 24 10.911 -3.390 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.960 -2.761 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.842 -2.706 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.738 -4.120 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.948 -2.859 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.218 -2.443 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.794 -4.923 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.567 -5.068 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.672 -5.124 -5.084 1.00 0.00 H new ATOM 67 N ASN A 25 11.608 -1.710 -7.517 1.00 0.00 N ATOM 68 CA ASN A 25 11.933 -1.498 -8.917 1.00 0.00 C ATOM 69 C ASN A 25 11.158 -2.501 -9.774 1.00 0.00 C ATOM 70 O ASN A 25 10.773 -3.566 -9.293 1.00 0.00 O ATOM 71 CB ASN A 25 13.426 -1.712 -9.174 1.00 0.00 C ATOM 72 CG ASN A 25 13.788 -3.197 -9.105 1.00 0.00 C ATOM 73 OD1 ASN A 25 13.401 -3.915 -8.198 1.00 0.00 O ATOM 74 ND2 ASN A 25 14.550 -3.615 -10.111 1.00 0.00 N ATOM 0 H ASN A 25 12.131 -2.461 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 25 11.666 -0.473 -9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.690 -1.315 -10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.008 -1.158 -8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.846 -4.590 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.839 -2.961 -10.838 1.00 0.00 H new ATOM 81 N LEU A 26 10.953 -2.126 -11.028 1.00 0.00 N ATOM 82 CA LEU A 26 10.231 -2.980 -11.956 1.00 0.00 C ATOM 83 C LEU A 26 11.074 -3.183 -13.217 1.00 0.00 C ATOM 84 O LEU A 26 11.782 -2.274 -13.648 1.00 0.00 O ATOM 85 CB LEU A 26 8.838 -2.412 -12.233 1.00 0.00 C ATOM 86 CG LEU A 26 8.297 -2.622 -13.649 1.00 0.00 C ATOM 87 CD1 LEU A 26 6.798 -2.927 -13.623 1.00 0.00 C ATOM 88 CD2 LEU A 26 8.623 -1.425 -14.543 1.00 0.00 C ATOM 0 H LEU A 26 11.274 -1.242 -11.423 1.00 0.00 H new ATOM 0 HA LEU A 26 10.068 -3.965 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.138 -2.860 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.856 -1.342 -12.027 1.00 0.00 H new ATOM 0 HG LEU A 26 8.795 -3.491 -14.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.438 -3.072 -14.642 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.621 -3.833 -13.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.265 -2.094 -13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.228 -1.600 -15.544 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.170 -0.525 -14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.704 -1.295 -14.598 1.00 0.00 H new ATOM 100 N LYS A 27 10.970 -4.381 -13.773 1.00 0.00 N ATOM 101 CA LYS A 27 11.714 -4.715 -14.976 1.00 0.00 C ATOM 102 C LYS A 27 10.780 -5.402 -15.974 1.00 0.00 C ATOM 103 O LYS A 27 10.355 -6.535 -15.753 1.00 0.00 O ATOM 104 CB LYS A 27 12.955 -5.539 -14.627 1.00 0.00 C ATOM 105 CG LYS A 27 13.915 -5.615 -15.816 1.00 0.00 C ATOM 106 CD LYS A 27 13.367 -6.543 -16.903 1.00 0.00 C ATOM 107 CE LYS A 27 14.382 -7.632 -17.256 1.00 0.00 C ATOM 108 NZ LYS A 27 15.597 -7.035 -17.855 1.00 0.00 N ATOM 0 H LYS A 27 10.382 -5.132 -13.413 1.00 0.00 H new ATOM 0 HA LYS A 27 12.086 -3.810 -15.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.464 -5.093 -13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.657 -6.545 -14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.070 -4.618 -16.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.887 -5.976 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.440 -7.002 -16.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.126 -5.963 -17.794 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.649 -8.192 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.936 -8.340 -17.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.141 -7.773 -18.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.322 -6.298 -18.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.182 -6.614 -17.106 1.00 0.00 H new ATOM 121 N VAL A 28 10.488 -4.688 -17.051 1.00 0.00 N ATOM 122 CA VAL A 28 9.612 -5.215 -18.083 1.00 0.00 C ATOM 123 C VAL A 28 10.458 -5.840 -19.194 1.00 0.00 C ATOM 124 O VAL A 28 11.291 -5.166 -19.798 1.00 0.00 O ATOM 125 CB VAL A 28 8.679 -4.113 -18.590 1.00 0.00 C ATOM 126 CG1 VAL A 28 8.291 -3.159 -17.459 1.00 0.00 C ATOM 127 CG2 VAL A 28 9.313 -3.352 -19.756 1.00 0.00 C ATOM 0 H VAL A 28 10.843 -3.749 -17.231 1.00 0.00 H new ATOM 0 HA VAL A 28 8.975 -6.001 -17.678 1.00 0.00 H new ATOM 0 HB VAL A 28 7.768 -4.587 -18.955 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.628 -2.386 -17.847 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.780 -3.715 -16.673 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.189 -2.695 -17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.630 -2.575 -20.098 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.247 -2.896 -19.428 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.515 -4.043 -20.575 1.00 0.00 H new ATOM 137 N SER A 29 10.216 -7.121 -19.429 1.00 0.00 N ATOM 138 CA SER A 29 10.945 -7.844 -20.456 1.00 0.00 C ATOM 139 C SER A 29 10.086 -7.974 -21.715 1.00 0.00 C ATOM 140 O SER A 29 9.134 -8.753 -21.744 1.00 0.00 O ATOM 141 CB SER A 29 11.371 -9.227 -19.959 1.00 0.00 C ATOM 142 OG SER A 29 10.971 -9.457 -18.611 1.00 0.00 O ATOM 0 H SER A 29 9.525 -7.677 -18.925 1.00 0.00 H new ATOM 0 HA SER A 29 11.847 -7.280 -20.696 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.936 -9.993 -20.602 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.454 -9.322 -20.037 1.00 0.00 H new ATOM 0 HG SER A 29 9.993 -9.463 -18.557 1.00 0.00 H new ATOM 148 N ASP A 30 10.452 -7.200 -22.726 1.00 0.00 N ATOM 149 CA ASP A 30 9.727 -7.218 -23.985 1.00 0.00 C ATOM 150 C ASP A 30 10.722 -7.333 -25.141 1.00 0.00 C ATOM 151 O ASP A 30 11.841 -6.830 -25.053 1.00 0.00 O ATOM 152 CB ASP A 30 8.925 -5.930 -24.178 1.00 0.00 C ATOM 153 CG ASP A 30 7.894 -5.972 -25.307 1.00 0.00 C ATOM 154 OD1 ASP A 30 8.191 -6.417 -26.426 1.00 0.00 O ATOM 155 OD2 ASP A 30 6.727 -5.518 -24.998 1.00 0.00 O ATOM 0 H ASP A 30 11.242 -6.556 -22.699 1.00 0.00 H new ATOM 0 HA ASP A 30 9.045 -8.068 -23.968 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.411 -5.697 -23.246 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.620 -5.113 -24.371 1.00 0.00 H new ATOM 161 N GLY A 31 10.279 -7.999 -26.197 1.00 0.00 N ATOM 162 CA GLY A 31 11.117 -8.186 -27.369 1.00 0.00 C ATOM 163 C GLY A 31 12.261 -7.170 -27.394 1.00 0.00 C ATOM 164 O GLY A 31 13.402 -7.507 -27.085 1.00 0.00 O ATOM 0 H GLY A 31 9.351 -8.416 -26.265 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.524 -9.197 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.514 -8.083 -28.271 1.00 0.00 H new ATOM 168 N SER A 32 11.914 -5.946 -27.764 1.00 0.00 N ATOM 169 CA SER A 32 12.897 -4.878 -27.833 1.00 0.00 C ATOM 170 C SER A 32 12.491 -3.732 -26.905 1.00 0.00 C ATOM 171 O SER A 32 13.215 -2.746 -26.776 1.00 0.00 O ATOM 172 CB SER A 32 13.057 -4.368 -29.267 1.00 0.00 C ATOM 173 OG SER A 32 14.234 -3.580 -29.425 1.00 0.00 O ATOM 0 H SER A 32 10.966 -5.670 -28.019 1.00 0.00 H new ATOM 0 HA SER A 32 13.858 -5.277 -27.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.094 -5.216 -29.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.184 -3.775 -29.540 1.00 0.00 H new ATOM 0 HG SER A 32 14.373 -3.034 -28.623 1.00 0.00 H new ATOM 179 N SER A 33 11.334 -3.900 -26.281 1.00 0.00 N ATOM 180 CA SER A 33 10.823 -2.892 -25.368 1.00 0.00 C ATOM 181 C SER A 33 11.411 -3.105 -23.971 1.00 0.00 C ATOM 182 O SER A 33 11.270 -2.250 -23.098 1.00 0.00 O ATOM 183 CB SER A 33 9.295 -2.924 -25.311 1.00 0.00 C ATOM 184 OG SER A 33 8.806 -2.775 -23.981 1.00 0.00 O ATOM 0 H SER A 33 10.736 -4.719 -26.390 1.00 0.00 H new ATOM 0 HA SER A 33 11.125 -1.912 -25.737 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.892 -2.127 -25.936 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.937 -3.866 -25.725 1.00 0.00 H new ATOM 0 HG SER A 33 8.096 -3.430 -23.818 1.00 0.00 H new ATOM 190 N GLU A 34 12.057 -4.249 -23.804 1.00 0.00 N ATOM 191 CA GLU A 34 12.666 -4.585 -22.529 1.00 0.00 C ATOM 192 C GLU A 34 13.334 -3.352 -21.918 1.00 0.00 C ATOM 193 O GLU A 34 14.324 -2.851 -22.448 1.00 0.00 O ATOM 194 CB GLU A 34 13.669 -5.730 -22.685 1.00 0.00 C ATOM 195 CG GLU A 34 14.701 -5.412 -23.768 1.00 0.00 C ATOM 196 CD GLU A 34 16.118 -5.726 -23.284 1.00 0.00 C ATOM 197 OE1 GLU A 34 16.349 -5.839 -22.071 1.00 0.00 O ATOM 198 OE2 GLU A 34 16.997 -5.855 -24.219 1.00 0.00 O ATOM 0 H GLU A 34 12.172 -4.955 -24.531 1.00 0.00 H new ATOM 0 HA GLU A 34 11.881 -4.922 -21.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.175 -5.906 -21.736 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.141 -6.649 -22.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.482 -5.991 -24.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.632 -4.360 -24.044 1.00 0.00 H new ATOM 206 N ILE A 35 12.764 -2.897 -20.811 1.00 0.00 N ATOM 207 CA ILE A 35 13.292 -1.731 -20.122 1.00 0.00 C ATOM 208 C ILE A 35 13.157 -1.932 -18.612 1.00 0.00 C ATOM 209 O ILE A 35 12.339 -2.732 -18.159 1.00 0.00 O ATOM 210 CB ILE A 35 12.620 -0.456 -20.636 1.00 0.00 C ATOM 211 CG1 ILE A 35 13.636 0.461 -21.320 1.00 0.00 C ATOM 212 CG2 ILE A 35 11.868 0.258 -19.511 1.00 0.00 C ATOM 213 CD1 ILE A 35 14.643 1.015 -20.309 1.00 0.00 C ATOM 0 H ILE A 35 11.942 -3.315 -20.374 1.00 0.00 H new ATOM 0 HA ILE A 35 14.355 -1.611 -20.334 1.00 0.00 H new ATOM 0 HB ILE A 35 11.883 -0.737 -21.388 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.163 -0.091 -22.098 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.116 1.285 -21.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.399 1.161 -19.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.101 -0.404 -19.109 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.567 0.526 -18.719 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.354 1.664 -20.821 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.115 1.587 -19.546 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.178 0.190 -19.839 1.00 0.00 H new ATOM 225 N PHE A 36 13.971 -1.193 -17.873 1.00 0.00 N ATOM 226 CA PHE A 36 13.953 -1.279 -16.423 1.00 0.00 C ATOM 227 C PHE A 36 13.862 0.111 -15.792 1.00 0.00 C ATOM 228 O PHE A 36 14.478 1.059 -16.277 1.00 0.00 O ATOM 229 CB PHE A 36 15.268 -1.935 -15.998 1.00 0.00 C ATOM 230 CG PHE A 36 16.501 -1.380 -16.713 1.00 0.00 C ATOM 231 CD1 PHE A 36 17.146 -0.293 -16.211 1.00 0.00 C ATOM 232 CD2 PHE A 36 16.951 -1.972 -17.852 1.00 0.00 C ATOM 233 CE1 PHE A 36 18.290 0.223 -16.875 1.00 0.00 C ATOM 234 CE2 PHE A 36 18.095 -1.456 -18.516 1.00 0.00 C ATOM 235 CZ PHE A 36 18.741 -0.370 -18.014 1.00 0.00 C ATOM 0 H PHE A 36 14.648 -0.531 -18.252 1.00 0.00 H new ATOM 0 HA PHE A 36 13.087 -1.854 -16.095 1.00 0.00 H new ATOM 0 HB2 PHE A 36 15.395 -1.806 -14.923 1.00 0.00 H new ATOM 0 HB3 PHE A 36 15.204 -3.007 -16.185 1.00 0.00 H new ATOM 0 HD1 PHE A 36 16.788 0.178 -15.307 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.438 -2.835 -18.251 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.802 1.086 -16.476 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.452 -1.926 -19.420 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.612 0.022 -18.519 1.00 0.00 H new ATOM 245 N PHE A 37 13.090 0.190 -14.718 1.00 0.00 N ATOM 246 CA PHE A 37 12.911 1.449 -14.015 1.00 0.00 C ATOM 247 C PHE A 37 12.470 1.212 -12.569 1.00 0.00 C ATOM 248 O PHE A 37 11.976 0.135 -12.236 1.00 0.00 O ATOM 249 CB PHE A 37 11.813 2.220 -14.751 1.00 0.00 C ATOM 250 CG PHE A 37 12.320 3.048 -15.933 1.00 0.00 C ATOM 251 CD1 PHE A 37 13.117 4.128 -15.715 1.00 0.00 C ATOM 252 CD2 PHE A 37 11.973 2.705 -17.202 1.00 0.00 C ATOM 253 CE1 PHE A 37 13.588 4.897 -16.812 1.00 0.00 C ATOM 254 CE2 PHE A 37 12.443 3.474 -18.300 1.00 0.00 C ATOM 255 CZ PHE A 37 13.241 4.553 -18.081 1.00 0.00 C ATOM 0 H PHE A 37 12.581 -0.598 -14.317 1.00 0.00 H new ATOM 0 HA PHE A 37 13.851 2.000 -13.994 1.00 0.00 H new ATOM 0 HB2 PHE A 37 11.065 1.513 -15.110 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.312 2.882 -14.045 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.392 4.401 -14.707 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.340 1.847 -17.375 1.00 0.00 H new ATOM 0 HE1 PHE A 37 14.221 5.754 -16.639 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.167 3.202 -19.308 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.599 5.137 -18.916 1.00 0.00 H new ATOM 265 N LYS A 38 12.664 2.234 -11.750 1.00 0.00 N ATOM 266 CA LYS A 38 12.292 2.151 -10.348 1.00 0.00 C ATOM 267 C LYS A 38 10.984 2.913 -10.125 1.00 0.00 C ATOM 268 O LYS A 38 10.774 3.976 -10.707 1.00 0.00 O ATOM 269 CB LYS A 38 13.442 2.630 -9.459 1.00 0.00 C ATOM 270 CG LYS A 38 14.769 2.006 -9.896 1.00 0.00 C ATOM 271 CD LYS A 38 15.591 2.993 -10.728 1.00 0.00 C ATOM 272 CE LYS A 38 16.868 2.335 -11.255 1.00 0.00 C ATOM 273 NZ LYS A 38 18.019 2.671 -10.389 1.00 0.00 N ATOM 0 H LYS A 38 13.074 3.125 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 38 12.110 1.115 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.514 3.717 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.237 2.368 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.339 1.702 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.577 1.105 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.993 3.356 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.849 3.860 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.738 1.253 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.062 2.669 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.877 2.217 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.152 3.702 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.838 2.331 -9.423 1.00 0.00 H new ATOM 286 N ILE A 39 10.139 2.340 -9.281 1.00 0.00 N ATOM 287 CA ILE A 39 8.857 2.952 -8.974 1.00 0.00 C ATOM 288 C ILE A 39 8.560 2.782 -7.483 1.00 0.00 C ATOM 289 O ILE A 39 9.230 2.012 -6.797 1.00 0.00 O ATOM 290 CB ILE A 39 7.764 2.392 -9.887 1.00 0.00 C ATOM 291 CG1 ILE A 39 8.106 2.626 -11.360 1.00 0.00 C ATOM 292 CG2 ILE A 39 6.395 2.967 -9.519 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.738 1.379 -11.981 1.00 0.00 C ATOM 0 H ILE A 39 10.317 1.458 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 39 8.888 4.023 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 39 7.712 1.314 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.203 2.892 -11.909 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.792 3.468 -11.448 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.636 2.553 -10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.156 2.707 -8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.416 4.052 -9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.971 1.572 -13.028 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.654 1.130 -11.445 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.040 0.545 -11.913 1.00 0.00 H new ATOM 305 N LYS A 40 7.553 3.513 -7.026 1.00 0.00 N ATOM 306 CA LYS A 40 7.159 3.452 -5.629 1.00 0.00 C ATOM 307 C LYS A 40 5.927 2.556 -5.489 1.00 0.00 C ATOM 308 O LYS A 40 4.882 3.001 -5.018 1.00 0.00 O ATOM 309 CB LYS A 40 6.961 4.862 -5.067 1.00 0.00 C ATOM 310 CG LYS A 40 8.268 5.410 -4.489 1.00 0.00 C ATOM 311 CD LYS A 40 9.277 5.706 -5.600 1.00 0.00 C ATOM 312 CE LYS A 40 9.748 7.161 -5.539 1.00 0.00 C ATOM 313 NZ LYS A 40 10.606 7.477 -6.703 1.00 0.00 N ATOM 0 H LYS A 40 6.999 4.150 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 40 7.950 3.002 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.602 5.524 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.195 4.844 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.067 6.320 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.692 4.688 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.133 5.038 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.823 5.507 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.886 7.828 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.301 7.332 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.917 8.468 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.438 6.852 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.067 7.333 -7.581 1.00 0.00 H new ATOM 326 N LYS A 41 6.091 1.310 -5.909 1.00 0.00 N ATOM 327 CA LYS A 41 5.005 0.347 -5.836 1.00 0.00 C ATOM 328 C LYS A 41 5.477 -0.991 -6.407 1.00 0.00 C ATOM 329 O LYS A 41 6.133 -1.030 -7.447 1.00 0.00 O ATOM 330 CB LYS A 41 3.752 0.900 -6.519 1.00 0.00 C ATOM 331 CG LYS A 41 2.625 1.114 -5.507 1.00 0.00 C ATOM 332 CD LYS A 41 1.297 1.392 -6.216 1.00 0.00 C ATOM 333 CE LYS A 41 0.900 2.863 -6.079 1.00 0.00 C ATOM 334 NZ LYS A 41 -0.551 3.031 -6.314 1.00 0.00 N ATOM 0 H LYS A 41 6.959 0.945 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 41 4.722 0.169 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.988 1.844 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.422 0.210 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.526 0.231 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.873 1.949 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.382 1.131 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.516 0.760 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.158 3.224 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.462 3.466 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.804 4.035 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.787 2.705 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.083 2.471 -5.617 1.00 0.00 H new ATOM 347 N THR A 42 5.124 -2.056 -5.703 1.00 0.00 N ATOM 348 CA THR A 42 5.503 -3.393 -6.127 1.00 0.00 C ATOM 349 C THR A 42 4.497 -3.936 -7.144 1.00 0.00 C ATOM 350 O THR A 42 4.882 -4.570 -8.125 1.00 0.00 O ATOM 351 CB THR A 42 5.634 -4.266 -4.877 1.00 0.00 C ATOM 352 OG1 THR A 42 5.635 -5.599 -5.383 1.00 0.00 O ATOM 353 CG2 THR A 42 4.390 -4.206 -3.988 1.00 0.00 C ATOM 0 H THR A 42 4.579 -2.020 -4.841 1.00 0.00 H new ATOM 0 HA THR A 42 6.465 -3.387 -6.640 1.00 0.00 H new ATOM 0 HB THR A 42 6.506 -3.950 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.967 -5.599 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.535 -4.843 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.224 -3.179 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.524 -4.554 -4.551 1.00 0.00 H new ATOM 361 N THR A 43 3.228 -3.666 -6.875 1.00 0.00 N ATOM 362 CA THR A 43 2.164 -4.119 -7.755 1.00 0.00 C ATOM 363 C THR A 43 2.662 -4.192 -9.200 1.00 0.00 C ATOM 364 O THR A 43 2.619 -3.200 -9.926 1.00 0.00 O ATOM 365 CB THR A 43 0.968 -3.183 -7.571 1.00 0.00 C ATOM 366 OG1 THR A 43 0.393 -3.094 -8.872 1.00 0.00 O ATOM 367 CG2 THR A 43 1.391 -1.747 -7.253 1.00 0.00 C ATOM 0 H THR A 43 2.913 -3.139 -6.060 1.00 0.00 H new ATOM 0 HA THR A 43 1.845 -5.130 -7.503 1.00 0.00 H new ATOM 0 HB THR A 43 0.333 -3.560 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.008 -2.619 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.504 -1.125 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.972 -1.735 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.999 -1.358 -8.070 1.00 0.00 H new ATOM 375 N PRO A 44 3.135 -5.408 -9.584 1.00 0.00 N ATOM 376 CA PRO A 44 3.640 -5.624 -10.929 1.00 0.00 C ATOM 377 C PRO A 44 2.494 -5.713 -11.938 1.00 0.00 C ATOM 378 O PRO A 44 2.608 -5.219 -13.058 1.00 0.00 O ATOM 379 CB PRO A 44 4.456 -6.903 -10.842 1.00 0.00 C ATOM 380 CG PRO A 44 3.999 -7.604 -9.573 1.00 0.00 C ATOM 381 CD PRO A 44 3.201 -6.605 -8.751 1.00 0.00 C ATOM 0 HA PRO A 44 4.256 -4.798 -11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.291 -7.532 -11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.523 -6.684 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.388 -8.473 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.857 -7.966 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.205 -6.985 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.688 -6.398 -7.798 1.00 0.00 H new ATOM 389 N LEU A 45 1.414 -6.347 -11.504 1.00 0.00 N ATOM 390 CA LEU A 45 0.248 -6.508 -12.355 1.00 0.00 C ATOM 391 C LEU A 45 -0.214 -5.134 -12.845 1.00 0.00 C ATOM 392 O LEU A 45 -0.414 -4.933 -14.042 1.00 0.00 O ATOM 393 CB LEU A 45 -0.842 -7.299 -11.627 1.00 0.00 C ATOM 394 CG LEU A 45 -1.503 -6.594 -10.441 1.00 0.00 C ATOM 395 CD1 LEU A 45 -2.770 -7.330 -10.003 1.00 0.00 C ATOM 396 CD2 LEU A 45 -0.514 -6.419 -9.287 1.00 0.00 C ATOM 0 H LEU A 45 1.323 -6.755 -10.574 1.00 0.00 H new ATOM 0 HA LEU A 45 0.500 -7.095 -13.239 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.617 -7.559 -12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.409 -8.235 -11.273 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.804 -5.597 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.220 -6.808 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.478 -7.359 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.516 -8.348 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.009 -5.915 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.160 -7.397 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.333 -5.820 -9.621 1.00 0.00 H new ATOM 408 N ARG A 46 -0.368 -4.223 -11.896 1.00 0.00 N ATOM 409 CA ARG A 46 -0.802 -2.874 -12.216 1.00 0.00 C ATOM 410 C ARG A 46 0.371 -2.054 -12.756 1.00 0.00 C ATOM 411 O ARG A 46 0.186 -1.184 -13.606 1.00 0.00 O ATOM 412 CB ARG A 46 -1.380 -2.174 -10.984 1.00 0.00 C ATOM 413 CG ARG A 46 -2.226 -3.140 -10.151 1.00 0.00 C ATOM 414 CD ARG A 46 -3.177 -2.379 -9.227 1.00 0.00 C ATOM 415 NE ARG A 46 -4.241 -3.284 -8.738 1.00 0.00 N ATOM 416 CZ ARG A 46 -5.299 -2.881 -8.003 1.00 0.00 C ATOM 417 NH1 ARG A 46 -5.445 -1.582 -7.666 1.00 0.00 N ATOM 418 NH2 ARG A 46 -6.190 -3.777 -7.619 1.00 0.00 N ATOM 0 H ARG A 46 -0.200 -4.393 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.580 -2.947 -12.976 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.569 -1.776 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.990 -1.326 -11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.799 -3.790 -10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.574 -3.782 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.624 -1.965 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.620 -1.538 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.170 -4.275 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.753 -0.896 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.248 -1.286 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.073 -4.756 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.995 -3.490 -7.063 1.00 0.00 H new ATOM 431 N ARG A 47 1.553 -2.359 -12.240 1.00 0.00 N ATOM 432 CA ARG A 47 2.756 -1.661 -12.660 1.00 0.00 C ATOM 433 C ARG A 47 3.010 -1.892 -14.151 1.00 0.00 C ATOM 434 O ARG A 47 2.753 -1.013 -14.972 1.00 0.00 O ATOM 435 CB ARG A 47 3.973 -2.132 -11.863 1.00 0.00 C ATOM 436 CG ARG A 47 4.155 -1.296 -10.595 1.00 0.00 C ATOM 437 CD ARG A 47 5.052 -0.085 -10.861 1.00 0.00 C ATOM 438 NE ARG A 47 4.432 0.790 -11.880 1.00 0.00 N ATOM 439 CZ ARG A 47 3.595 1.810 -11.595 1.00 0.00 C ATOM 440 NH1 ARG A 47 3.270 2.092 -10.315 1.00 0.00 N ATOM 441 NH2 ARG A 47 3.098 2.527 -12.585 1.00 0.00 N ATOM 0 H ARG A 47 1.703 -3.080 -11.535 1.00 0.00 H new ATOM 0 HA ARG A 47 2.604 -0.598 -12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.853 -3.182 -11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.867 -2.060 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.183 -0.961 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.592 -1.911 -9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.208 0.472 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.033 -0.416 -11.202 1.00 0.00 H new ATOM 0 HE ARG A 47 4.651 0.611 -12.860 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.658 1.533 -9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.637 2.864 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.348 2.307 -13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.464 3.301 -12.386 1.00 0.00 H new ATOM 454 N LEU A 48 3.513 -3.080 -14.456 1.00 0.00 N ATOM 455 CA LEU A 48 3.805 -3.438 -15.833 1.00 0.00 C ATOM 456 C LEU A 48 2.667 -2.953 -16.734 1.00 0.00 C ATOM 457 O LEU A 48 2.906 -2.510 -17.857 1.00 0.00 O ATOM 458 CB LEU A 48 4.085 -4.937 -15.949 1.00 0.00 C ATOM 459 CG LEU A 48 5.348 -5.327 -16.720 1.00 0.00 C ATOM 460 CD1 LEU A 48 6.408 -5.905 -15.780 1.00 0.00 C ATOM 461 CD2 LEU A 48 5.017 -6.282 -17.868 1.00 0.00 C ATOM 0 H LEU A 48 3.726 -3.807 -13.772 1.00 0.00 H new ATOM 0 HA LEU A 48 4.714 -2.941 -16.171 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.155 -5.352 -14.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.229 -5.410 -16.430 1.00 0.00 H new ATOM 0 HG LEU A 48 5.769 -4.425 -17.164 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.295 -6.174 -16.353 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.673 -5.161 -15.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.012 -6.793 -15.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.932 -6.543 -18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.559 -7.187 -17.468 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.324 -5.798 -18.556 1.00 0.00 H new ATOM 473 N MET A 49 1.455 -3.053 -16.209 1.00 0.00 N ATOM 474 CA MET A 49 0.280 -2.631 -16.951 1.00 0.00 C ATOM 475 C MET A 49 0.540 -1.314 -17.686 1.00 0.00 C ATOM 476 O MET A 49 0.135 -1.150 -18.836 1.00 0.00 O ATOM 477 CB MET A 49 -0.896 -2.455 -15.989 1.00 0.00 C ATOM 478 CG MET A 49 -2.215 -2.848 -16.658 1.00 0.00 C ATOM 479 SD MET A 49 -3.566 -1.942 -15.923 1.00 0.00 S ATOM 480 CE MET A 49 -3.196 -0.299 -16.517 1.00 0.00 C ATOM 0 H MET A 49 1.261 -3.421 -15.277 1.00 0.00 H new ATOM 0 HA MET A 49 0.045 -3.398 -17.689 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.738 -3.066 -15.101 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.947 -1.418 -15.657 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.166 -2.640 -17.727 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.383 -3.919 -16.549 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.125 0.252 -16.666 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.578 0.222 -15.785 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.659 -0.367 -17.463 1.00 0.00 H new ATOM 490 N GLU A 50 1.214 -0.409 -16.992 1.00 0.00 N ATOM 491 CA GLU A 50 1.533 0.888 -17.564 1.00 0.00 C ATOM 492 C GLU A 50 2.983 0.910 -18.053 1.00 0.00 C ATOM 493 O GLU A 50 3.259 1.358 -19.165 1.00 0.00 O ATOM 494 CB GLU A 50 1.278 2.010 -16.555 1.00 0.00 C ATOM 495 CG GLU A 50 0.606 3.209 -17.227 1.00 0.00 C ATOM 496 CD GLU A 50 0.146 4.233 -16.188 1.00 0.00 C ATOM 497 OE1 GLU A 50 -0.218 3.855 -15.064 1.00 0.00 O ATOM 498 OE2 GLU A 50 0.176 5.461 -16.582 1.00 0.00 O ATOM 0 H GLU A 50 1.548 -0.548 -16.038 1.00 0.00 H new ATOM 0 HA GLU A 50 0.879 1.057 -18.419 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.647 1.641 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.221 2.322 -16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.302 3.678 -17.922 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.249 2.870 -17.812 1.00 0.00 H new ATOM 506 N ALA A 51 3.870 0.422 -17.199 1.00 0.00 N ATOM 507 CA ALA A 51 5.284 0.380 -17.531 1.00 0.00 C ATOM 508 C ALA A 51 5.453 -0.140 -18.960 1.00 0.00 C ATOM 509 O ALA A 51 5.860 0.605 -19.851 1.00 0.00 O ATOM 510 CB ALA A 51 6.024 -0.481 -16.506 1.00 0.00 C ATOM 0 H ALA A 51 3.637 0.052 -16.277 1.00 0.00 H new ATOM 0 HA ALA A 51 5.717 1.379 -17.491 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.085 -0.512 -16.755 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.897 -0.053 -15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.618 -1.492 -16.520 1.00 0.00 H new ATOM 516 N PHE A 52 5.133 -1.413 -19.134 1.00 0.00 N ATOM 517 CA PHE A 52 5.244 -2.041 -20.439 1.00 0.00 C ATOM 518 C PHE A 52 4.464 -1.254 -21.495 1.00 0.00 C ATOM 519 O PHE A 52 4.779 -1.321 -22.682 1.00 0.00 O ATOM 520 CB PHE A 52 4.640 -3.441 -20.315 1.00 0.00 C ATOM 521 CG PHE A 52 3.903 -3.915 -21.570 1.00 0.00 C ATOM 522 CD1 PHE A 52 4.526 -3.879 -22.778 1.00 0.00 C ATOM 523 CD2 PHE A 52 2.626 -4.372 -21.477 1.00 0.00 C ATOM 524 CE1 PHE A 52 3.843 -4.319 -23.943 1.00 0.00 C ATOM 525 CE2 PHE A 52 1.943 -4.812 -22.641 1.00 0.00 C ATOM 526 CZ PHE A 52 2.565 -4.776 -23.850 1.00 0.00 C ATOM 0 H PHE A 52 4.797 -2.027 -18.392 1.00 0.00 H new ATOM 0 HA PHE A 52 6.289 -2.074 -20.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.436 -4.149 -20.084 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.948 -3.454 -19.473 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.540 -3.516 -22.852 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.131 -4.400 -20.517 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.338 -4.291 -24.902 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.929 -5.176 -22.567 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.045 -5.110 -24.736 1.00 0.00 H new ATOM 536 N ALA A 53 3.463 -0.526 -21.024 1.00 0.00 N ATOM 537 CA ALA A 53 2.636 0.273 -21.912 1.00 0.00 C ATOM 538 C ALA A 53 3.256 1.663 -22.066 1.00 0.00 C ATOM 539 O ALA A 53 2.752 2.491 -22.823 1.00 0.00 O ATOM 540 CB ALA A 53 1.207 0.329 -21.367 1.00 0.00 C ATOM 0 H ALA A 53 3.206 -0.473 -20.038 1.00 0.00 H new ATOM 0 HA ALA A 53 2.589 -0.179 -22.903 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.587 0.928 -22.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.802 -0.681 -21.305 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.214 0.779 -20.374 1.00 0.00 H new ATOM 546 N LYS A 54 4.341 1.876 -21.337 1.00 0.00 N ATOM 547 CA LYS A 54 5.036 3.151 -21.383 1.00 0.00 C ATOM 548 C LYS A 54 6.219 3.048 -22.347 1.00 0.00 C ATOM 549 O LYS A 54 6.624 4.042 -22.948 1.00 0.00 O ATOM 550 CB LYS A 54 5.428 3.599 -19.973 1.00 0.00 C ATOM 551 CG LYS A 54 4.905 5.007 -19.680 1.00 0.00 C ATOM 552 CD LYS A 54 3.508 4.954 -19.059 1.00 0.00 C ATOM 553 CE LYS A 54 3.363 5.992 -17.944 1.00 0.00 C ATOM 554 NZ LYS A 54 2.123 6.779 -18.126 1.00 0.00 N ATOM 0 H LYS A 54 4.756 1.187 -20.711 1.00 0.00 H new ATOM 0 HA LYS A 54 4.378 3.930 -21.768 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.027 2.899 -19.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.513 3.581 -19.870 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.589 5.519 -19.003 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.875 5.587 -20.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.757 5.134 -19.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.322 3.957 -18.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.345 5.493 -16.975 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.226 6.657 -17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.241 7.718 -17.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.926 6.886 -19.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.329 6.286 -17.669 1.00 0.00 H new ATOM 567 N ARG A 55 6.741 1.836 -22.465 1.00 0.00 N ATOM 568 CA ARG A 55 7.870 1.590 -23.346 1.00 0.00 C ATOM 569 C ARG A 55 7.392 0.973 -24.662 1.00 0.00 C ATOM 570 O ARG A 55 7.769 1.430 -25.740 1.00 0.00 O ATOM 571 CB ARG A 55 8.887 0.653 -22.691 1.00 0.00 C ATOM 572 CG ARG A 55 10.295 1.248 -22.745 1.00 0.00 C ATOM 573 CD ARG A 55 11.002 0.865 -24.048 1.00 0.00 C ATOM 574 NE ARG A 55 11.057 2.033 -24.955 1.00 0.00 N ATOM 575 CZ ARG A 55 11.395 1.961 -26.260 1.00 0.00 C ATOM 576 NH1 ARG A 55 11.711 0.775 -26.822 1.00 0.00 N ATOM 577 NH2 ARG A 55 11.412 3.069 -26.978 1.00 0.00 N ATOM 0 H ARG A 55 6.403 1.014 -21.965 1.00 0.00 H new ATOM 0 HA ARG A 55 8.351 2.548 -23.543 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.605 0.472 -21.654 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.877 -0.312 -23.198 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.239 2.333 -22.663 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.876 0.894 -21.894 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.011 0.512 -23.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.473 0.044 -24.531 1.00 0.00 H new ATOM 0 HE ARG A 55 10.825 2.949 -24.570 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.696 -0.076 -26.260 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.965 0.730 -27.809 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.172 3.961 -26.545 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.665 3.033 -27.965 1.00 0.00 H new ATOM 590 N GLN A 56 6.570 -0.058 -24.530 1.00 0.00 N ATOM 591 CA GLN A 56 6.036 -0.743 -25.695 1.00 0.00 C ATOM 592 C GLN A 56 4.682 -0.148 -26.087 1.00 0.00 C ATOM 593 O GLN A 56 4.404 0.048 -27.269 1.00 0.00 O ATOM 594 CB GLN A 56 5.922 -2.247 -25.442 1.00 0.00 C ATOM 595 CG GLN A 56 5.717 -3.010 -26.753 1.00 0.00 C ATOM 596 CD GLN A 56 6.967 -2.934 -27.633 1.00 0.00 C ATOM 597 OE1 GLN A 56 7.823 -3.802 -27.615 1.00 0.00 O ATOM 598 NE2 GLN A 56 7.022 -1.849 -28.400 1.00 0.00 N ATOM 0 H GLN A 56 6.261 -0.435 -23.634 1.00 0.00 H new ATOM 0 HA GLN A 56 6.727 -0.599 -26.525 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.824 -2.605 -24.946 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.088 -2.444 -24.768 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.482 -4.052 -26.538 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.864 -2.595 -27.290 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.270 -1.161 -28.365 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.817 -1.705 -29.023 1.00 0.00 H new ATOM 607 N GLY A 57 3.874 0.122 -25.072 1.00 0.00 N ATOM 608 CA GLY A 57 2.556 0.690 -25.295 1.00 0.00 C ATOM 609 C GLY A 57 2.621 1.856 -26.283 1.00 0.00 C ATOM 610 O GLY A 57 1.628 2.182 -26.931 1.00 0.00 O ATOM 0 H GLY A 57 4.107 -0.042 -24.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.885 -0.079 -25.678 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.139 1.034 -24.348 1.00 0.00 H new ATOM 614 N LYS A 58 3.801 2.453 -26.367 1.00 0.00 N ATOM 615 CA LYS A 58 4.009 3.576 -27.265 1.00 0.00 C ATOM 616 C LYS A 58 3.550 3.190 -28.673 1.00 0.00 C ATOM 617 O LYS A 58 2.818 3.938 -29.318 1.00 0.00 O ATOM 618 CB LYS A 58 5.462 4.051 -27.201 1.00 0.00 C ATOM 619 CG LYS A 58 5.638 5.135 -26.136 1.00 0.00 C ATOM 620 CD LYS A 58 5.821 6.511 -26.779 1.00 0.00 C ATOM 621 CE LYS A 58 4.672 7.449 -26.402 1.00 0.00 C ATOM 622 NZ LYS A 58 5.038 8.855 -26.684 1.00 0.00 N ATOM 0 H LYS A 58 4.623 2.180 -25.828 1.00 0.00 H new ATOM 0 HA LYS A 58 3.405 4.429 -26.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.115 3.207 -26.977 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.765 4.439 -28.174 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.768 5.149 -25.479 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.503 4.902 -25.514 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.769 6.943 -26.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.869 6.406 -27.863 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.777 7.181 -26.963 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.433 7.334 -25.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.248 9.479 -26.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.880 9.112 -26.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.244 8.964 -27.698 1.00 0.00 H new ATOM 635 N GLU A 59 4.000 2.022 -29.108 1.00 0.00 N ATOM 636 CA GLU A 59 3.645 1.527 -30.427 1.00 0.00 C ATOM 637 C GLU A 59 2.296 0.806 -30.378 1.00 0.00 C ATOM 638 O GLU A 59 1.703 0.519 -31.417 1.00 0.00 O ATOM 639 CB GLU A 59 4.737 0.610 -30.982 1.00 0.00 C ATOM 640 CG GLU A 59 5.755 1.405 -31.802 1.00 0.00 C ATOM 641 CD GLU A 59 6.763 2.109 -30.892 1.00 0.00 C ATOM 642 OE1 GLU A 59 7.769 1.503 -30.495 1.00 0.00 O ATOM 643 OE2 GLU A 59 6.472 3.331 -30.599 1.00 0.00 O ATOM 0 H GLU A 59 4.608 1.404 -28.570 1.00 0.00 H new ATOM 0 HA GLU A 59 3.556 2.379 -31.101 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.243 0.102 -30.161 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.286 -0.163 -31.605 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.280 0.736 -32.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.237 2.142 -32.415 1.00 0.00 H new ATOM 651 N MET A 60 1.850 0.534 -29.160 1.00 0.00 N ATOM 652 CA MET A 60 0.583 -0.148 -28.962 1.00 0.00 C ATOM 653 C MET A 60 0.424 -1.307 -29.948 1.00 0.00 C ATOM 654 O MET A 60 -0.694 -1.656 -30.327 1.00 0.00 O ATOM 655 CB MET A 60 -0.566 0.845 -29.151 1.00 0.00 C ATOM 656 CG MET A 60 -1.610 0.692 -28.042 1.00 0.00 C ATOM 657 SD MET A 60 -1.733 2.208 -27.107 1.00 0.00 S ATOM 658 CE MET A 60 -1.184 1.632 -25.510 1.00 0.00 C ATOM 0 H MET A 60 2.344 0.774 -28.300 1.00 0.00 H new ATOM 0 HA MET A 60 0.563 -0.552 -27.950 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.176 1.863 -29.150 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.035 0.684 -30.122 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.579 0.442 -28.475 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.334 -0.131 -27.382 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.995 2.487 -24.860 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.954 1.002 -25.066 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.266 1.055 -25.627 1.00 0.00 H new ATOM 668 N ASP A 61 1.558 -1.871 -30.337 1.00 0.00 N ATOM 669 CA ASP A 61 1.558 -2.983 -31.272 1.00 0.00 C ATOM 670 C ASP A 61 1.646 -4.298 -30.494 1.00 0.00 C ATOM 671 O ASP A 61 1.494 -5.374 -31.069 1.00 0.00 O ATOM 672 CB ASP A 61 2.761 -2.910 -32.214 1.00 0.00 C ATOM 673 CG ASP A 61 2.544 -2.074 -33.477 1.00 0.00 C ATOM 674 OD1 ASP A 61 1.403 -1.864 -33.915 1.00 0.00 O ATOM 675 OD2 ASP A 61 3.621 -1.624 -34.025 1.00 0.00 O ATOM 0 H ASP A 61 2.483 -1.579 -30.022 1.00 0.00 H new ATOM 0 HA ASP A 61 0.639 -2.933 -31.856 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.608 -2.499 -31.665 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.034 -3.923 -32.510 1.00 0.00 H new ATOM 681 N SER A 62 1.891 -4.166 -29.199 1.00 0.00 N ATOM 682 CA SER A 62 2.001 -5.331 -28.336 1.00 0.00 C ATOM 683 C SER A 62 1.055 -5.189 -27.142 1.00 0.00 C ATOM 684 O SER A 62 1.033 -4.150 -26.483 1.00 0.00 O ATOM 685 CB SER A 62 3.440 -5.524 -27.853 1.00 0.00 C ATOM 686 OG SER A 62 4.249 -6.171 -28.832 1.00 0.00 O ATOM 0 H SER A 62 2.016 -3.271 -28.726 1.00 0.00 H new ATOM 0 HA SER A 62 1.718 -6.212 -28.912 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.873 -4.554 -27.608 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.439 -6.114 -26.936 1.00 0.00 H new ATOM 0 HG SER A 62 5.160 -6.274 -28.487 1.00 0.00 H new ATOM 692 N LEU A 63 0.296 -6.247 -26.900 1.00 0.00 N ATOM 693 CA LEU A 63 -0.650 -6.254 -25.797 1.00 0.00 C ATOM 694 C LEU A 63 -0.735 -7.665 -25.212 1.00 0.00 C ATOM 695 O LEU A 63 -1.705 -8.002 -24.535 1.00 0.00 O ATOM 696 CB LEU A 63 -2.000 -5.691 -26.245 1.00 0.00 C ATOM 697 CG LEU A 63 -2.287 -5.755 -27.747 1.00 0.00 C ATOM 698 CD1 LEU A 63 -3.750 -6.120 -28.010 1.00 0.00 C ATOM 699 CD2 LEU A 63 -1.890 -4.448 -28.437 1.00 0.00 C ATOM 0 H LEU A 63 0.317 -7.106 -27.449 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.307 -5.598 -24.997 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.789 -6.231 -25.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.061 -4.650 -25.927 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.674 -6.546 -28.179 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.928 -6.159 -29.085 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.967 -7.094 -27.571 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.399 -5.368 -27.562 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.104 -4.520 -29.503 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.458 -3.623 -28.008 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.825 -4.269 -28.292 1.00 0.00 H new ATOM 711 N ARG A 64 0.293 -8.452 -25.495 1.00 0.00 N ATOM 712 CA ARG A 64 0.346 -9.819 -25.006 1.00 0.00 C ATOM 713 C ARG A 64 1.201 -9.896 -23.739 1.00 0.00 C ATOM 714 O ARG A 64 2.369 -10.275 -23.797 1.00 0.00 O ATOM 715 CB ARG A 64 0.926 -10.760 -26.063 1.00 0.00 C ATOM 716 CG ARG A 64 0.795 -12.221 -25.628 1.00 0.00 C ATOM 717 CD ARG A 64 1.017 -13.167 -26.809 1.00 0.00 C ATOM 718 NE ARG A 64 2.222 -13.994 -26.577 1.00 0.00 N ATOM 719 CZ ARG A 64 2.847 -14.707 -27.537 1.00 0.00 C ATOM 720 NH1 ARG A 64 2.386 -14.700 -28.806 1.00 0.00 N ATOM 721 NH2 ARG A 64 3.917 -15.412 -27.217 1.00 0.00 N ATOM 0 H ARG A 64 1.096 -8.169 -26.057 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.674 -10.131 -24.780 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.408 -10.611 -27.011 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.976 -10.520 -26.232 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.520 -12.437 -24.843 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.194 -12.390 -25.203 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.146 -13.809 -26.940 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.132 -12.593 -27.729 1.00 0.00 H new ATOM 0 HE ARG A 64 2.604 -14.027 -25.632 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.559 -14.153 -29.045 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.865 -15.242 -29.525 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.259 -15.412 -26.256 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.401 -15.957 -27.931 1.00 0.00 H new ATOM 734 N PHE A 65 0.585 -9.530 -22.625 1.00 0.00 N ATOM 735 CA PHE A 65 1.275 -9.554 -21.346 1.00 0.00 C ATOM 736 C PHE A 65 1.222 -10.949 -20.720 1.00 0.00 C ATOM 737 O PHE A 65 0.142 -11.487 -20.485 1.00 0.00 O ATOM 738 CB PHE A 65 0.549 -8.568 -20.428 1.00 0.00 C ATOM 739 CG PHE A 65 -0.779 -9.093 -19.878 1.00 0.00 C ATOM 740 CD1 PHE A 65 -1.932 -8.881 -20.568 1.00 0.00 C ATOM 741 CD2 PHE A 65 -0.807 -9.770 -18.699 1.00 0.00 C ATOM 742 CE1 PHE A 65 -3.164 -9.368 -20.058 1.00 0.00 C ATOM 743 CE2 PHE A 65 -2.040 -10.257 -18.189 1.00 0.00 C ATOM 744 CZ PHE A 65 -3.192 -10.045 -18.879 1.00 0.00 C ATOM 0 H PHE A 65 -0.384 -9.215 -22.581 1.00 0.00 H new ATOM 0 HA PHE A 65 2.323 -9.287 -21.483 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.202 -8.316 -19.593 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.364 -7.645 -20.977 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.910 -8.342 -21.504 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.108 -9.937 -18.150 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.079 -9.201 -20.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.062 -10.796 -17.253 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.130 -10.414 -18.491 1.00 0.00 H new ATOM 754 N LEU A 66 2.403 -11.494 -20.468 1.00 0.00 N ATOM 755 CA LEU A 66 2.506 -12.816 -19.874 1.00 0.00 C ATOM 756 C LEU A 66 3.869 -12.961 -19.194 1.00 0.00 C ATOM 757 O LEU A 66 4.804 -12.226 -19.507 1.00 0.00 O ATOM 758 CB LEU A 66 2.222 -13.897 -20.920 1.00 0.00 C ATOM 759 CG LEU A 66 3.371 -14.223 -21.876 1.00 0.00 C ATOM 760 CD1 LEU A 66 4.481 -14.991 -21.158 1.00 0.00 C ATOM 761 CD2 LEU A 66 2.862 -14.970 -23.110 1.00 0.00 C ATOM 0 H LEU A 66 3.297 -11.044 -20.664 1.00 0.00 H new ATOM 0 HA LEU A 66 1.749 -12.946 -19.101 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.937 -14.812 -20.400 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.361 -13.585 -21.511 1.00 0.00 H new ATOM 0 HG LEU A 66 3.803 -13.284 -22.223 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.285 -15.210 -21.861 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.870 -14.387 -20.338 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.081 -15.924 -20.763 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.699 -15.190 -23.773 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.389 -15.902 -22.802 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.135 -14.351 -23.636 1.00 0.00 H new ATOM 773 N TYR A 67 3.938 -13.914 -18.277 1.00 0.00 N ATOM 774 CA TYR A 67 5.171 -14.165 -17.550 1.00 0.00 C ATOM 775 C TYR A 67 5.942 -15.334 -18.165 1.00 0.00 C ATOM 776 O TYR A 67 7.163 -15.273 -18.305 1.00 0.00 O ATOM 777 CB TYR A 67 4.753 -14.537 -16.126 1.00 0.00 C ATOM 778 CG TYR A 67 5.893 -15.091 -15.268 1.00 0.00 C ATOM 779 CD1 TYR A 67 6.226 -16.428 -15.342 1.00 0.00 C ATOM 780 CD2 TYR A 67 6.587 -14.252 -14.419 1.00 0.00 C ATOM 781 CE1 TYR A 67 7.298 -16.948 -14.534 1.00 0.00 C ATOM 782 CE2 TYR A 67 7.659 -14.773 -13.611 1.00 0.00 C ATOM 783 CZ TYR A 67 7.962 -16.095 -13.709 1.00 0.00 C ATOM 784 OH TYR A 67 8.975 -16.587 -12.946 1.00 0.00 O ATOM 0 H TYR A 67 3.160 -14.522 -18.020 1.00 0.00 H new ATOM 0 HA TYR A 67 5.819 -13.289 -17.580 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.340 -13.655 -15.637 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.955 -15.278 -16.174 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.683 -17.084 -16.006 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.326 -13.206 -14.361 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.569 -17.992 -14.582 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.210 -14.128 -12.942 1.00 0.00 H new ATOM 0 HH TYR A 67 9.359 -15.864 -12.407 1.00 0.00 H new ATOM 794 N ASP A 68 5.198 -16.373 -18.515 1.00 0.00 N ATOM 795 CA ASP A 68 5.796 -17.555 -19.112 1.00 0.00 C ATOM 796 C ASP A 68 5.155 -17.812 -20.477 1.00 0.00 C ATOM 797 O ASP A 68 5.810 -17.683 -21.510 1.00 0.00 O ATOM 798 CB ASP A 68 5.564 -18.790 -18.240 1.00 0.00 C ATOM 799 CG ASP A 68 6.828 -19.569 -17.871 1.00 0.00 C ATOM 800 OD1 ASP A 68 7.764 -19.019 -17.271 1.00 0.00 O ATOM 801 OD2 ASP A 68 6.830 -20.808 -18.229 1.00 0.00 O ATOM 0 H ASP A 68 4.186 -16.421 -18.396 1.00 0.00 H new ATOM 0 HA ASP A 68 6.867 -17.378 -19.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.066 -18.479 -17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.881 -19.461 -18.761 1.00 0.00 H new ATOM 807 N GLY A 69 3.880 -18.172 -20.438 1.00 0.00 N ATOM 808 CA GLY A 69 3.142 -18.449 -21.658 1.00 0.00 C ATOM 809 C GLY A 69 1.665 -18.711 -21.359 1.00 0.00 C ATOM 810 O GLY A 69 1.055 -19.598 -21.954 1.00 0.00 O ATOM 0 H GLY A 69 3.339 -18.278 -19.580 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.234 -17.605 -22.342 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.574 -19.315 -22.160 1.00 0.00 H new ATOM 814 N ILE A 70 1.132 -17.923 -20.437 1.00 0.00 N ATOM 815 CA ILE A 70 -0.262 -18.059 -20.051 1.00 0.00 C ATOM 816 C ILE A 70 -0.753 -16.737 -19.457 1.00 0.00 C ATOM 817 O ILE A 70 -1.417 -16.727 -18.421 1.00 0.00 O ATOM 818 CB ILE A 70 -0.446 -19.258 -19.119 1.00 0.00 C ATOM 819 CG1 ILE A 70 0.844 -19.561 -18.354 1.00 0.00 C ATOM 820 CG2 ILE A 70 -0.955 -20.478 -19.890 1.00 0.00 C ATOM 821 CD1 ILE A 70 0.571 -19.713 -16.857 1.00 0.00 C ATOM 0 H ILE A 70 1.641 -17.188 -19.946 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.881 -18.266 -20.924 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.206 -19.003 -18.380 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.293 -20.476 -18.740 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.564 -18.759 -18.516 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.077 -21.317 -19.204 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.914 -20.243 -20.351 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.236 -20.745 -20.665 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.504 -19.928 -16.337 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.144 -18.788 -16.469 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.131 -20.532 -16.696 1.00 0.00 H new ATOM 833 N ARG A 71 -0.408 -15.654 -20.137 1.00 0.00 N ATOM 834 CA ARG A 71 -0.805 -14.331 -19.689 1.00 0.00 C ATOM 835 C ARG A 71 -0.742 -14.245 -18.163 1.00 0.00 C ATOM 836 O ARG A 71 -1.702 -13.822 -17.521 1.00 0.00 O ATOM 837 CB ARG A 71 -2.224 -13.995 -20.153 1.00 0.00 C ATOM 838 CG ARG A 71 -3.239 -14.981 -19.572 1.00 0.00 C ATOM 839 CD ARG A 71 -3.349 -16.233 -20.445 1.00 0.00 C ATOM 840 NE ARG A 71 -3.499 -17.433 -19.592 1.00 0.00 N ATOM 841 CZ ARG A 71 -3.954 -18.625 -20.035 1.00 0.00 C ATOM 842 NH1 ARG A 71 -4.308 -18.785 -21.328 1.00 0.00 N ATOM 843 NH2 ARG A 71 -4.048 -19.630 -19.185 1.00 0.00 N ATOM 0 H ARG A 71 0.143 -15.666 -20.996 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.112 -13.612 -20.126 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.480 -12.981 -19.846 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.270 -14.020 -21.242 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.941 -15.263 -18.562 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.214 -14.501 -19.494 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.203 -16.145 -21.116 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.461 -16.330 -21.070 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.243 -17.355 -18.608 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.233 -18.003 -21.978 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.651 -19.688 -21.655 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.779 -19.500 -18.210 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.390 -20.537 -19.503 1.00 0.00 H new ATOM 856 N ILE A 72 0.398 -14.655 -17.626 1.00 0.00 N ATOM 857 CA ILE A 72 0.600 -14.630 -16.187 1.00 0.00 C ATOM 858 C ILE A 72 1.589 -13.518 -15.834 1.00 0.00 C ATOM 859 O ILE A 72 2.096 -12.830 -16.718 1.00 0.00 O ATOM 860 CB ILE A 72 1.021 -16.011 -15.681 1.00 0.00 C ATOM 861 CG1 ILE A 72 1.792 -16.778 -16.758 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.186 -16.800 -15.170 1.00 0.00 C ATOM 863 CD1 ILE A 72 2.576 -17.941 -16.147 1.00 0.00 C ATOM 0 H ILE A 72 1.192 -15.007 -18.162 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.335 -14.400 -15.675 1.00 0.00 H new ATOM 0 HB ILE A 72 1.697 -15.873 -14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.097 -17.157 -17.507 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.477 -16.103 -17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.142 -17.778 -14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.656 -16.256 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.905 -16.929 -15.979 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.115 -18.470 -16.933 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.287 -17.556 -15.416 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.886 -18.627 -15.656 1.00 0.00 H new ATOM 875 N GLN A 73 1.833 -13.376 -14.539 1.00 0.00 N ATOM 876 CA GLN A 73 2.752 -12.358 -14.058 1.00 0.00 C ATOM 877 C GLN A 73 3.631 -12.923 -12.941 1.00 0.00 C ATOM 878 O GLN A 73 3.506 -14.092 -12.579 1.00 0.00 O ATOM 879 CB GLN A 73 1.996 -11.115 -13.586 1.00 0.00 C ATOM 880 CG GLN A 73 1.528 -10.273 -14.775 1.00 0.00 C ATOM 881 CD GLN A 73 0.010 -10.360 -14.946 1.00 0.00 C ATOM 882 OE1 GLN A 73 -0.569 -11.430 -15.037 1.00 0.00 O ATOM 883 NE2 GLN A 73 -0.598 -9.179 -14.985 1.00 0.00 N ATOM 0 H GLN A 73 1.410 -13.949 -13.808 1.00 0.00 H new ATOM 0 HA GLN A 73 3.396 -12.058 -14.884 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.136 -11.414 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.640 -10.516 -12.943 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.822 -9.234 -14.627 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.020 -10.617 -15.685 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.052 -8.321 -14.903 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.611 -9.130 -15.097 1.00 0.00 H new ATOM 892 N ALA A 74 4.500 -12.066 -12.425 1.00 0.00 N ATOM 893 CA ALA A 74 5.399 -12.465 -11.355 1.00 0.00 C ATOM 894 C ALA A 74 4.660 -12.388 -10.018 1.00 0.00 C ATOM 895 O ALA A 74 4.060 -13.367 -9.579 1.00 0.00 O ATOM 896 CB ALA A 74 6.649 -11.583 -11.383 1.00 0.00 C ATOM 0 H ALA A 74 4.601 -11.097 -12.728 1.00 0.00 H new ATOM 0 HA ALA A 74 5.725 -13.496 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.323 -11.882 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.153 -11.697 -12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.362 -10.540 -11.246 1.00 0.00 H new ATOM 902 N ASP A 75 4.729 -11.214 -9.407 1.00 0.00 N ATOM 903 CA ASP A 75 4.074 -10.996 -8.129 1.00 0.00 C ATOM 904 C ASP A 75 2.788 -10.197 -8.349 1.00 0.00 C ATOM 905 O ASP A 75 2.512 -9.245 -7.620 1.00 0.00 O ATOM 906 CB ASP A 75 4.970 -10.198 -7.180 1.00 0.00 C ATOM 907 CG ASP A 75 6.454 -10.184 -7.550 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.890 -9.408 -8.413 1.00 0.00 O ATOM 909 OD2 ASP A 75 7.185 -11.028 -6.903 1.00 0.00 O ATOM 0 H ASP A 75 5.229 -10.404 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 75 3.860 -11.970 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.610 -9.170 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.865 -10.608 -6.175 1.00 0.00 H new ATOM 915 N GLN A 76 2.036 -10.612 -9.357 1.00 0.00 N ATOM 916 CA GLN A 76 0.786 -9.947 -9.683 1.00 0.00 C ATOM 917 C GLN A 76 -0.202 -10.075 -8.521 1.00 0.00 C ATOM 918 O GLN A 76 -1.172 -9.323 -8.441 1.00 0.00 O ATOM 919 CB GLN A 76 0.188 -10.506 -10.975 1.00 0.00 C ATOM 920 CG GLN A 76 -1.341 -10.459 -10.936 1.00 0.00 C ATOM 921 CD GLN A 76 -1.905 -11.631 -10.130 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.308 -11.494 -8.986 1.00 0.00 O ATOM 923 NE2 GLN A 76 -1.911 -12.787 -10.787 1.00 0.00 N ATOM 0 H GLN A 76 2.268 -11.401 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 76 0.992 -8.889 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.552 -9.931 -11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.520 -11.534 -11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.668 -9.518 -10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.735 -10.488 -11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.559 -12.832 -11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.268 -13.629 -10.335 1.00 0.00 H new ATOM 932 N THR A 77 0.080 -11.032 -7.650 1.00 0.00 N ATOM 933 CA THR A 77 -0.771 -11.269 -6.496 1.00 0.00 C ATOM 934 C THR A 77 -0.540 -10.193 -5.433 1.00 0.00 C ATOM 935 O THR A 77 0.585 -9.729 -5.249 1.00 0.00 O ATOM 936 CB THR A 77 -0.503 -12.688 -5.993 1.00 0.00 C ATOM 937 OG1 THR A 77 0.405 -13.229 -6.949 1.00 0.00 O ATOM 938 CG2 THR A 77 -1.735 -13.589 -6.097 1.00 0.00 C ATOM 0 H THR A 77 0.886 -11.653 -7.720 1.00 0.00 H new ATOM 0 HA THR A 77 -1.826 -11.198 -6.762 1.00 0.00 H new ATOM 0 HB THR A 77 -0.169 -12.649 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.323 -13.125 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.490 -14.585 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.544 -13.169 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.050 -13.656 -7.138 1.00 0.00 H new ATOM 946 N PRO A 78 -1.650 -9.818 -4.743 1.00 0.00 N ATOM 947 CA PRO A 78 -1.579 -8.806 -3.703 1.00 0.00 C ATOM 948 C PRO A 78 -0.937 -9.368 -2.433 1.00 0.00 C ATOM 949 O PRO A 78 -0.643 -8.623 -1.500 1.00 0.00 O ATOM 950 CB PRO A 78 -3.015 -8.355 -3.494 1.00 0.00 C ATOM 951 CG PRO A 78 -3.886 -9.451 -4.085 1.00 0.00 C ATOM 952 CD PRO A 78 -2.998 -10.346 -4.934 1.00 0.00 C ATOM 0 HA PRO A 78 -0.947 -7.962 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.230 -8.214 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.200 -7.401 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.363 -10.028 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.683 -9.020 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.065 -11.386 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.291 -10.314 -5.983 1.00 0.00 H new ATOM 960 N GLU A 79 -0.739 -10.678 -2.439 1.00 0.00 N ATOM 961 CA GLU A 79 -0.137 -11.349 -1.299 1.00 0.00 C ATOM 962 C GLU A 79 1.342 -11.633 -1.570 1.00 0.00 C ATOM 963 O GLU A 79 2.073 -12.044 -0.671 1.00 0.00 O ATOM 964 CB GLU A 79 -0.890 -12.638 -0.962 1.00 0.00 C ATOM 965 CG GLU A 79 -1.403 -12.611 0.479 1.00 0.00 C ATOM 966 CD GLU A 79 -2.740 -11.873 0.572 1.00 0.00 C ATOM 967 OE1 GLU A 79 -2.762 -10.660 0.825 1.00 0.00 O ATOM 968 OE2 GLU A 79 -3.782 -12.606 0.370 1.00 0.00 O ATOM 0 H GLU A 79 -0.985 -11.293 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.207 -10.689 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.728 -12.764 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.232 -13.495 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.520 -13.631 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.669 -12.124 1.121 1.00 0.00 H new ATOM 976 N ASP A 80 1.737 -11.403 -2.814 1.00 0.00 N ATOM 977 CA ASP A 80 3.116 -11.629 -3.214 1.00 0.00 C ATOM 978 C ASP A 80 3.856 -10.291 -3.256 1.00 0.00 C ATOM 979 O ASP A 80 5.006 -10.200 -2.828 1.00 0.00 O ATOM 980 CB ASP A 80 3.189 -12.254 -4.609 1.00 0.00 C ATOM 981 CG ASP A 80 4.461 -13.056 -4.892 1.00 0.00 C ATOM 982 OD1 ASP A 80 5.575 -12.513 -4.874 1.00 0.00 O ATOM 983 OD2 ASP A 80 4.272 -14.307 -5.144 1.00 0.00 O ATOM 0 H ASP A 80 1.127 -11.063 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 80 3.570 -12.306 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.328 -12.908 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.105 -11.460 -5.351 1.00 0.00 H new ATOM 989 N LEU A 81 3.167 -9.286 -3.775 1.00 0.00 N ATOM 990 CA LEU A 81 3.744 -7.957 -3.879 1.00 0.00 C ATOM 991 C LEU A 81 3.930 -7.375 -2.476 1.00 0.00 C ATOM 992 O LEU A 81 4.966 -6.785 -2.176 1.00 0.00 O ATOM 993 CB LEU A 81 2.901 -7.076 -4.803 1.00 0.00 C ATOM 994 CG LEU A 81 1.469 -6.797 -4.341 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.404 -5.523 -3.497 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.509 -6.746 -5.531 1.00 0.00 C ATOM 0 H LEU A 81 2.213 -9.365 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 81 4.731 -8.006 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.413 -6.122 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.860 -7.548 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 81 1.149 -7.622 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.375 -5.348 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.039 -5.636 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.751 -4.676 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.502 -6.546 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.817 -5.953 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.527 -7.702 -6.054 1.00 0.00 H new ATOM 1008 N ASP A 82 2.908 -7.563 -1.653 1.00 0.00 N ATOM 1009 CA ASP A 82 2.946 -7.064 -0.288 1.00 0.00 C ATOM 1010 C ASP A 82 4.025 -7.814 0.495 1.00 0.00 C ATOM 1011 O ASP A 82 4.458 -7.359 1.552 1.00 0.00 O ATOM 1012 CB ASP A 82 1.607 -7.289 0.417 1.00 0.00 C ATOM 1013 CG ASP A 82 0.899 -6.015 0.883 1.00 0.00 C ATOM 1014 OD1 ASP A 82 1.122 -4.924 0.337 1.00 0.00 O ATOM 1015 OD2 ASP A 82 0.077 -6.176 1.864 1.00 0.00 O ATOM 0 H ASP A 82 2.050 -8.053 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 82 3.159 -5.996 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.944 -7.829 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.772 -7.932 1.282 1.00 0.00 H new ATOM 1021 N MET A 83 4.427 -8.951 -0.054 1.00 0.00 N ATOM 1022 CA MET A 83 5.447 -9.769 0.580 1.00 0.00 C ATOM 1023 C MET A 83 6.810 -9.555 -0.081 1.00 0.00 C ATOM 1024 O MET A 83 7.671 -8.871 0.471 1.00 0.00 O ATOM 1025 CB MET A 83 5.055 -11.244 0.478 1.00 0.00 C ATOM 1026 CG MET A 83 5.029 -11.901 1.859 1.00 0.00 C ATOM 1027 SD MET A 83 3.345 -12.254 2.335 1.00 0.00 S ATOM 1028 CE MET A 83 2.651 -10.611 2.260 1.00 0.00 C ATOM 0 H MET A 83 4.065 -9.325 -0.931 1.00 0.00 H new ATOM 0 HA MET A 83 5.522 -9.476 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.074 -11.332 0.011 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.762 -11.768 -0.165 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.612 -12.822 1.844 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.493 -11.242 2.593 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.786 -10.551 2.920 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.400 -9.885 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.343 -10.393 1.238 1.00 0.00 H new ATOM 1038 N GLU A 84 6.964 -10.153 -1.253 1.00 0.00 N ATOM 1039 CA GLU A 84 8.207 -10.036 -1.995 1.00 0.00 C ATOM 1040 C GLU A 84 8.395 -8.603 -2.496 1.00 0.00 C ATOM 1041 O GLU A 84 7.472 -7.793 -2.429 1.00 0.00 O ATOM 1042 CB GLU A 84 8.249 -11.032 -3.156 1.00 0.00 C ATOM 1043 CG GLU A 84 9.690 -11.324 -3.577 1.00 0.00 C ATOM 1044 CD GLU A 84 9.914 -12.826 -3.763 1.00 0.00 C ATOM 1045 OE1 GLU A 84 9.008 -13.535 -4.228 1.00 0.00 O ATOM 1046 OE2 GLU A 84 11.078 -13.253 -3.407 1.00 0.00 O ATOM 0 H GLU A 84 6.248 -10.720 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 84 9.031 -10.276 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.757 -11.959 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.693 -10.631 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.914 -10.802 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.378 -10.941 -2.823 1.00 0.00 H new ATOM 1054 N ASP A 85 9.596 -8.333 -2.986 1.00 0.00 N ATOM 1055 CA ASP A 85 9.916 -7.012 -3.497 1.00 0.00 C ATOM 1056 C ASP A 85 10.777 -7.151 -4.755 1.00 0.00 C ATOM 1057 O ASP A 85 12.001 -7.062 -4.687 1.00 0.00 O ATOM 1058 CB ASP A 85 10.709 -6.201 -2.470 1.00 0.00 C ATOM 1059 CG ASP A 85 11.644 -7.021 -1.580 1.00 0.00 C ATOM 1060 OD1 ASP A 85 11.306 -8.136 -1.156 1.00 0.00 O ATOM 1061 OD2 ASP A 85 12.778 -6.464 -1.322 1.00 0.00 O ATOM 0 H ASP A 85 10.359 -9.007 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 85 8.979 -6.500 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.299 -5.452 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.006 -5.663 -1.834 1.00 0.00 H new ATOM 1067 N ASN A 86 10.101 -7.367 -5.874 1.00 0.00 N ATOM 1068 CA ASN A 86 10.789 -7.520 -7.145 1.00 0.00 C ATOM 1069 C ASN A 86 9.756 -7.678 -8.263 1.00 0.00 C ATOM 1070 O ASN A 86 9.272 -8.781 -8.514 1.00 0.00 O ATOM 1071 CB ASN A 86 11.679 -8.764 -7.144 1.00 0.00 C ATOM 1072 CG ASN A 86 13.126 -8.403 -7.486 1.00 0.00 C ATOM 1073 OD1 ASN A 86 13.403 -7.600 -8.362 1.00 0.00 O ATOM 1074 ND2 ASN A 86 14.031 -9.038 -6.747 1.00 0.00 N ATOM 0 H ASN A 86 9.085 -7.440 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 86 11.407 -6.636 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.641 -9.242 -6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.300 -9.487 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 86 15.025 -8.865 -6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.731 -9.698 -6.030 1.00 0.00 H new ATOM 1081 N ASP A 87 9.448 -6.561 -8.904 1.00 0.00 N ATOM 1082 CA ASP A 87 8.481 -6.562 -9.989 1.00 0.00 C ATOM 1083 C ASP A 87 9.201 -6.850 -11.307 1.00 0.00 C ATOM 1084 O ASP A 87 10.119 -6.125 -11.689 1.00 0.00 O ATOM 1085 CB ASP A 87 7.792 -5.202 -10.114 1.00 0.00 C ATOM 1086 CG ASP A 87 7.317 -4.593 -8.792 1.00 0.00 C ATOM 1087 OD1 ASP A 87 7.238 -3.364 -8.647 1.00 0.00 O ATOM 1088 OD2 ASP A 87 7.018 -5.449 -7.875 1.00 0.00 O ATOM 0 H ASP A 87 9.851 -5.648 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 87 7.734 -7.326 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.481 -4.505 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.934 -5.306 -10.778 1.00 0.00 H new ATOM 1094 N ILE A 88 8.758 -7.910 -11.968 1.00 0.00 N ATOM 1095 CA ILE A 88 9.349 -8.302 -13.236 1.00 0.00 C ATOM 1096 C ILE A 88 8.366 -9.194 -13.997 1.00 0.00 C ATOM 1097 O ILE A 88 7.853 -10.167 -13.449 1.00 0.00 O ATOM 1098 CB ILE A 88 10.718 -8.948 -13.012 1.00 0.00 C ATOM 1099 CG1 ILE A 88 10.737 -10.388 -13.529 1.00 0.00 C ATOM 1100 CG2 ILE A 88 11.131 -8.862 -11.541 1.00 0.00 C ATOM 1101 CD1 ILE A 88 9.978 -11.320 -12.583 1.00 0.00 C ATOM 0 H ILE A 88 7.997 -8.509 -11.649 1.00 0.00 H new ATOM 0 HA ILE A 88 9.533 -7.426 -13.858 1.00 0.00 H new ATOM 0 HB ILE A 88 11.457 -8.390 -13.587 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.289 -10.428 -14.522 1.00 0.00 H new ATOM 0 HG13 ILE A 88 11.768 -10.728 -13.631 1.00 0.00 H new ATOM 0 HG21 ILE A 88 12.107 -9.328 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.185 -7.816 -11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.395 -9.380 -10.926 1.00 0.00 H new ATOM 0 HD11 ILE A 88 10.007 -12.337 -12.974 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.444 -11.296 -11.598 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.942 -10.991 -12.502 1.00 0.00 H new ATOM 1113 N ILE A 89 8.134 -8.828 -15.249 1.00 0.00 N ATOM 1114 CA ILE A 89 7.221 -9.583 -16.092 1.00 0.00 C ATOM 1115 C ILE A 89 7.653 -9.446 -17.553 1.00 0.00 C ATOM 1116 O ILE A 89 8.520 -8.636 -17.875 1.00 0.00 O ATOM 1117 CB ILE A 89 5.776 -9.153 -15.835 1.00 0.00 C ATOM 1118 CG1 ILE A 89 5.574 -8.753 -14.372 1.00 0.00 C ATOM 1119 CG2 ILE A 89 4.794 -10.242 -16.271 1.00 0.00 C ATOM 1120 CD1 ILE A 89 4.163 -8.210 -14.141 1.00 0.00 C ATOM 0 H ILE A 89 8.562 -8.019 -15.700 1.00 0.00 H new ATOM 0 HA ILE A 89 7.262 -10.644 -15.845 1.00 0.00 H new ATOM 0 HB ILE A 89 5.570 -8.271 -16.442 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.745 -9.616 -13.729 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.308 -7.997 -14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.774 -9.911 -16.077 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.916 -10.437 -17.336 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.991 -11.156 -15.710 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.047 -7.933 -13.093 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.004 -7.333 -14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.432 -8.977 -14.397 1.00 0.00 H new ATOM 1132 N GLU A 90 7.028 -10.252 -18.399 1.00 0.00 N ATOM 1133 CA GLU A 90 7.336 -10.232 -19.819 1.00 0.00 C ATOM 1134 C GLU A 90 6.158 -9.660 -20.610 1.00 0.00 C ATOM 1135 O GLU A 90 5.017 -10.079 -20.420 1.00 0.00 O ATOM 1136 CB GLU A 90 7.706 -11.629 -20.320 1.00 0.00 C ATOM 1137 CG GLU A 90 7.986 -11.617 -21.824 1.00 0.00 C ATOM 1138 CD GLU A 90 9.413 -12.084 -22.120 1.00 0.00 C ATOM 1139 OE1 GLU A 90 10.281 -12.022 -21.238 1.00 0.00 O ATOM 1140 OE2 GLU A 90 9.604 -12.525 -23.317 1.00 0.00 O ATOM 0 H GLU A 90 6.309 -10.923 -18.128 1.00 0.00 H new ATOM 0 HA GLU A 90 8.200 -9.586 -19.974 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.585 -11.990 -19.786 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.894 -12.324 -20.103 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.274 -12.265 -22.335 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.840 -10.611 -22.217 1.00 0.00 H new ATOM 1148 N ALA A 91 6.475 -8.713 -21.480 1.00 0.00 N ATOM 1149 CA ALA A 91 5.457 -8.079 -22.301 1.00 0.00 C ATOM 1150 C ALA A 91 5.629 -8.526 -23.754 1.00 0.00 C ATOM 1151 O ALA A 91 6.603 -8.159 -24.409 1.00 0.00 O ATOM 1152 CB ALA A 91 5.546 -6.560 -22.143 1.00 0.00 C ATOM 0 H ALA A 91 7.423 -8.369 -21.635 1.00 0.00 H new ATOM 0 HA ALA A 91 4.461 -8.382 -21.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.782 -6.085 -22.759 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.388 -6.293 -21.098 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.532 -6.218 -22.459 1.00 0.00 H new ATOM 1158 N HIS A 92 4.667 -9.311 -24.216 1.00 0.00 N ATOM 1159 CA HIS A 92 4.699 -9.811 -25.580 1.00 0.00 C ATOM 1160 C HIS A 92 3.756 -8.982 -26.453 1.00 0.00 C ATOM 1161 O HIS A 92 3.118 -8.048 -25.971 1.00 0.00 O ATOM 1162 CB HIS A 92 4.381 -11.307 -25.617 1.00 0.00 C ATOM 1163 CG HIS A 92 5.595 -12.189 -25.783 1.00 0.00 C ATOM 1164 ND1 HIS A 92 5.801 -13.331 -25.029 1.00 0.00 N ATOM 1165 CD2 HIS A 92 6.664 -12.086 -26.624 1.00 0.00 C ATOM 1166 CE1 HIS A 92 6.946 -13.882 -25.407 1.00 0.00 C ATOM 1167 NE2 HIS A 92 7.479 -13.108 -26.395 1.00 0.00 N ATOM 0 H HIS A 92 3.860 -9.613 -23.670 1.00 0.00 H new ATOM 0 HA HIS A 92 5.704 -9.702 -25.988 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.868 -11.582 -24.695 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.689 -11.501 -26.437 1.00 0.00 H new ATOM 0 HD2 HIS A 92 6.821 -11.305 -27.353 1.00 0.00 H new ATOM 0 HE1 HIS A 92 7.380 -14.785 -25.003 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.359 -13.285 -26.879 1.00 0.00 H new ATOM 1175 N ARG A 93 3.697 -9.354 -27.724 1.00 0.00 N ATOM 1176 CA ARG A 93 2.842 -8.657 -28.669 1.00 0.00 C ATOM 1177 C ARG A 93 1.579 -9.475 -28.946 1.00 0.00 C ATOM 1178 O ARG A 93 1.591 -10.699 -28.832 1.00 0.00 O ATOM 1179 CB ARG A 93 3.574 -8.399 -29.987 1.00 0.00 C ATOM 1180 CG ARG A 93 3.494 -9.620 -30.906 1.00 0.00 C ATOM 1181 CD ARG A 93 4.207 -10.822 -30.283 1.00 0.00 C ATOM 1182 NE ARG A 93 4.536 -11.814 -31.331 1.00 0.00 N ATOM 1183 CZ ARG A 93 3.674 -12.750 -31.784 1.00 0.00 C ATOM 1184 NH1 ARG A 93 2.423 -12.829 -31.284 1.00 0.00 N ATOM 1185 NH2 ARG A 93 4.074 -13.587 -32.723 1.00 0.00 N ATOM 0 H ARG A 93 4.228 -10.129 -28.121 1.00 0.00 H new ATOM 0 HA ARG A 93 2.568 -7.700 -28.225 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.137 -7.534 -30.486 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.618 -8.158 -29.786 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.450 -9.870 -31.095 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.945 -9.384 -31.870 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.118 -10.495 -29.781 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.572 -11.279 -29.524 1.00 0.00 H new ATOM 0 HE ARG A 93 5.472 -11.789 -31.736 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.122 -12.179 -30.558 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.779 -13.539 -31.632 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.021 -13.521 -33.095 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.436 -14.300 -33.076 1.00 0.00 H new ATOM 1198 N GLU A 94 0.519 -8.765 -29.305 1.00 0.00 N ATOM 1199 CA GLU A 94 -0.749 -9.410 -29.599 1.00 0.00 C ATOM 1200 C GLU A 94 -1.600 -8.518 -30.505 1.00 0.00 C ATOM 1201 O GLU A 94 -2.519 -7.847 -30.037 1.00 0.00 O ATOM 1202 CB GLU A 94 -1.499 -9.758 -28.311 1.00 0.00 C ATOM 1203 CG GLU A 94 -1.590 -11.273 -28.122 1.00 0.00 C ATOM 1204 CD GLU A 94 -2.985 -11.788 -28.480 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -3.678 -12.352 -27.620 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -3.345 -11.583 -29.702 1.00 0.00 O ATOM 0 H GLU A 94 0.513 -7.749 -29.399 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.547 -10.343 -30.126 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.989 -9.311 -27.457 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.501 -9.331 -28.343 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.845 -11.766 -28.747 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.359 -11.528 -27.088 1.00 0.00 H new ATOM 1214 N GLN A 95 -1.265 -8.540 -31.787 1.00 0.00 N ATOM 1215 CA GLN A 95 -1.987 -7.742 -32.763 1.00 0.00 C ATOM 1216 C GLN A 95 -1.758 -8.292 -34.172 1.00 0.00 C ATOM 1217 O GLN A 95 -0.628 -8.607 -34.544 1.00 0.00 O ATOM 1218 CB GLN A 95 -1.580 -6.269 -32.677 1.00 0.00 C ATOM 1219 CG GLN A 95 -2.220 -5.456 -33.804 1.00 0.00 C ATOM 1220 CD GLN A 95 -3.210 -4.431 -33.246 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -3.623 -4.489 -32.100 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -3.565 -3.492 -34.119 1.00 0.00 N ATOM 0 H GLN A 95 -0.503 -9.098 -32.172 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.052 -7.804 -32.538 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.882 -5.860 -31.713 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.495 -6.184 -32.734 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.444 -4.945 -34.374 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.734 -6.125 -34.494 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.181 -3.503 -35.064 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.221 -2.761 -33.844 1.00 0.00 H new ATOM 1231 N ILE A 96 -2.848 -8.391 -34.919 1.00 0.00 N ATOM 1232 CA ILE A 96 -2.780 -8.898 -36.279 1.00 0.00 C ATOM 1233 C ILE A 96 -2.768 -7.721 -37.257 1.00 0.00 C ATOM 1234 O ILE A 96 -3.797 -7.086 -37.482 1.00 0.00 O ATOM 1235 CB ILE A 96 -3.909 -9.898 -36.534 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -3.768 -11.127 -35.633 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -3.980 -10.279 -38.015 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -4.508 -10.923 -34.309 1.00 0.00 C ATOM 0 H ILE A 96 -3.783 -8.129 -34.608 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.854 -9.451 -36.434 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.854 -9.418 -36.279 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.164 -12.005 -36.144 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.713 -11.321 -35.438 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.791 -10.991 -38.169 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.163 -9.386 -38.612 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.037 -10.732 -38.320 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.392 -11.811 -33.687 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.093 -10.059 -33.790 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.567 -10.754 -34.506 1.00 0.00 H new TER 1250 ILE A 96