USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= 0.501 K(o=1.6,f=-7.6!) USER MOD Set 1.3: A 98 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.274) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.07) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -174:sc= 2.2 (180deg=0.971) USER MOD Set 3.2: A 17 TYR OH : rot 30:sc= 0.164 USER MOD Set 4.1: A 3 SER OG : rot 65:sc= 1.42 USER MOD Set 4.2: A 80 THR OG1 : rot -163:sc= 1.2 USER MOD Single : A 2 ASN : amide:sc=-0.000448 K(o=-0.00045,f=-0.94) USER MOD Single : A 22 ASN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.175 (180deg=0.091) USER MOD Single : A 32 TYR OH : rot 70:sc= -0.234 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00367) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.06) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.888) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.03 (180deg=1.01) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 82:sc= 0.978 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -108:sc= 1.13 (180deg=-1.03!) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc=-0.000925 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 81.044 -11.274 -5.277 1.00 0.00 N ATOM 21 CA ASN A 2 82.223 -11.233 -6.123 1.00 0.00 C ATOM 22 C ASN A 2 82.530 -9.790 -6.500 1.00 0.00 C ATOM 23 O ASN A 2 81.760 -8.881 -6.181 1.00 0.00 O ATOM 24 CB ASN A 2 82.018 -12.084 -7.383 1.00 0.00 C ATOM 25 CG ASN A 2 81.746 -13.545 -7.065 1.00 0.00 C ATOM 26 OD1 ASN A 2 82.191 -14.068 -6.042 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.022 -14.217 -7.946 1.00 0.00 N ATOM 0 HA ASN A 2 83.067 -11.647 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 2 81.185 -11.680 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.904 -12.012 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 2 80.815 -15.203 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 2 80.671 -13.748 -8.781 1.00 0.00 H new ATOM 34 N SER A 3 83.646 -9.584 -7.186 1.00 0.00 N ATOM 35 CA SER A 3 84.088 -8.246 -7.567 1.00 0.00 C ATOM 36 C SER A 3 83.081 -7.575 -8.499 1.00 0.00 C ATOM 37 O SER A 3 83.020 -6.346 -8.590 1.00 0.00 O ATOM 38 CB SER A 3 85.455 -8.330 -8.245 1.00 0.00 C ATOM 39 OG SER A 3 86.347 -9.119 -7.477 1.00 0.00 O ATOM 0 H SER A 3 84.268 -10.332 -7.493 1.00 0.00 H new ATOM 0 HA SER A 3 84.165 -7.640 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.347 -8.760 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.865 -7.328 -8.373 1.00 0.00 H new ATOM 0 HG SER A 3 86.028 -10.045 -7.455 1.00 0.00 H new ATOM 45 N GLU A 4 82.287 -8.391 -9.178 1.00 0.00 N ATOM 46 CA GLU A 4 81.271 -7.900 -10.094 1.00 0.00 C ATOM 47 C GLU A 4 80.238 -7.048 -9.359 1.00 0.00 C ATOM 48 O GLU A 4 79.776 -6.032 -9.877 1.00 0.00 O ATOM 49 CB GLU A 4 80.595 -9.082 -10.784 1.00 0.00 C ATOM 50 CG GLU A 4 79.627 -8.683 -11.878 1.00 0.00 C ATOM 51 CD GLU A 4 79.123 -9.879 -12.650 1.00 0.00 C ATOM 52 OE1 GLU A 4 79.914 -10.461 -13.421 1.00 0.00 O ATOM 53 OE2 GLU A 4 77.944 -10.244 -12.490 1.00 0.00 O ATOM 0 H GLU A 4 82.330 -9.408 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 4 81.749 -7.270 -10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.362 -9.729 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.061 -9.669 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.782 -8.152 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.118 -7.990 -12.562 1.00 0.00 H new ATOM 60 N VAL A 5 79.902 -7.452 -8.139 1.00 0.00 N ATOM 61 CA VAL A 5 78.925 -6.728 -7.331 1.00 0.00 C ATOM 62 C VAL A 5 79.487 -5.373 -6.906 1.00 0.00 C ATOM 63 O VAL A 5 78.759 -4.384 -6.816 1.00 0.00 O ATOM 64 CB VAL A 5 78.516 -7.538 -6.081 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.470 -6.793 -5.263 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.998 -8.909 -6.486 1.00 0.00 C ATOM 0 H VAL A 5 80.292 -8.279 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 5 78.037 -6.575 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 5 79.400 -7.668 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.201 -7.387 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.876 -5.835 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.583 -6.624 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.714 -9.468 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.129 -8.793 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.779 -9.450 -7.020 1.00 0.00 H new ATOM 76 N ILE A 6 80.792 -5.337 -6.668 1.00 0.00 N ATOM 77 CA ILE A 6 81.472 -4.094 -6.329 1.00 0.00 C ATOM 78 C ILE A 6 81.354 -3.110 -7.489 1.00 0.00 C ATOM 79 O ILE A 6 81.071 -1.927 -7.294 1.00 0.00 O ATOM 80 CB ILE A 6 82.964 -4.339 -6.011 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.106 -5.442 -4.958 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.622 -3.052 -5.527 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.539 -5.832 -4.677 1.00 0.00 C ATOM 0 H ILE A 6 81.401 -6.155 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 6 80.996 -3.680 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 6 83.467 -4.661 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.641 -5.109 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.557 -6.323 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.673 -3.241 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.545 -2.290 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.119 -2.703 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.561 -6.618 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.003 -6.197 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 6 85.088 -4.963 -4.313 1.00 0.00 H new ATOM 95 N LYS A 7 81.547 -3.625 -8.699 1.00 0.00 N ATOM 96 CA LYS A 7 81.421 -2.827 -9.914 1.00 0.00 C ATOM 97 C LYS A 7 80.016 -2.254 -10.049 1.00 0.00 C ATOM 98 O LYS A 7 79.844 -1.115 -10.478 1.00 0.00 O ATOM 99 CB LYS A 7 81.756 -3.676 -11.141 1.00 0.00 C ATOM 100 CG LYS A 7 83.228 -4.029 -11.254 1.00 0.00 C ATOM 101 CD LYS A 7 83.471 -5.047 -12.356 1.00 0.00 C ATOM 102 CE LYS A 7 84.955 -5.230 -12.629 1.00 0.00 C ATOM 103 NZ LYS A 7 85.541 -4.045 -13.313 1.00 0.00 N ATOM 0 H LYS A 7 81.794 -4.601 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 7 82.126 -1.998 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.172 -4.596 -11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 7 81.450 -3.138 -12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 7 83.806 -3.127 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.582 -4.428 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.032 -6.003 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 7 82.969 -4.724 -13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.479 -5.403 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.105 -6.116 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.527 -4.247 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.993 -3.833 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.513 -3.226 -12.673 1.00 0.00 H new ATOM 117 N GLU A 8 79.015 -3.046 -9.673 1.00 0.00 N ATOM 118 CA GLU A 8 77.623 -2.609 -9.723 1.00 0.00 C ATOM 119 C GLU A 8 77.421 -1.349 -8.887 1.00 0.00 C ATOM 120 O GLU A 8 76.841 -0.370 -9.352 1.00 0.00 O ATOM 121 CB GLU A 8 76.697 -3.719 -9.219 1.00 0.00 C ATOM 122 CG GLU A 8 76.708 -4.966 -10.087 1.00 0.00 C ATOM 123 CD GLU A 8 76.104 -4.733 -11.454 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.785 -4.148 -12.321 1.00 0.00 O ATOM 125 OE2 GLU A 8 74.943 -5.137 -11.673 1.00 0.00 O ATOM 0 H GLU A 8 79.143 -3.998 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 8 77.377 -2.383 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 8 76.989 -3.991 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 75.679 -3.334 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.735 -5.314 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.158 -5.760 -9.582 1.00 0.00 H new ATOM 132 N PHE A 9 77.923 -1.379 -7.658 1.00 0.00 N ATOM 133 CA PHE A 9 77.791 -0.249 -6.748 1.00 0.00 C ATOM 134 C PHE A 9 78.576 0.956 -7.259 1.00 0.00 C ATOM 135 O PHE A 9 78.077 2.085 -7.252 1.00 0.00 O ATOM 136 CB PHE A 9 78.277 -0.640 -5.346 1.00 0.00 C ATOM 137 CG PHE A 9 78.157 0.463 -4.330 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.938 0.746 -3.736 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.263 1.217 -3.970 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.825 1.758 -2.801 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.156 2.230 -3.035 1.00 0.00 C ATOM 142 CZ PHE A 9 77.935 2.501 -2.451 1.00 0.00 C ATOM 0 H PHE A 9 78.426 -2.176 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 9 76.738 0.026 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.706 -1.502 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.319 -0.952 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.066 0.169 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.220 1.011 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.869 1.967 -2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.026 2.808 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.848 3.293 -1.722 1.00 0.00 H new ATOM 152 N LEU A 10 79.796 0.707 -7.716 1.00 0.00 N ATOM 153 CA LEU A 10 80.677 1.773 -8.180 1.00 0.00 C ATOM 154 C LEU A 10 80.137 2.430 -9.446 1.00 0.00 C ATOM 155 O LEU A 10 80.127 3.654 -9.562 1.00 0.00 O ATOM 156 CB LEU A 10 82.085 1.226 -8.427 1.00 0.00 C ATOM 157 CG LEU A 10 82.779 0.654 -7.189 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.133 0.071 -7.560 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.932 1.728 -6.120 1.00 0.00 C ATOM 0 H LEU A 10 80.200 -0.228 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 10 80.721 2.534 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.028 0.447 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.703 2.025 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 10 82.160 -0.147 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.613 -0.331 -6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 10 83.998 -0.727 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.761 0.853 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.427 1.304 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.530 2.550 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.948 2.100 -5.834 1.00 0.00 H new ATOM 171 N GLU A 11 79.670 1.618 -10.383 1.00 0.00 N ATOM 172 CA GLU A 11 79.143 2.131 -11.640 1.00 0.00 C ATOM 173 C GLU A 11 77.824 2.868 -11.403 1.00 0.00 C ATOM 174 O GLU A 11 77.520 3.849 -12.083 1.00 0.00 O ATOM 175 CB GLU A 11 78.954 0.985 -12.641 1.00 0.00 C ATOM 176 CG GLU A 11 78.562 1.440 -14.038 1.00 0.00 C ATOM 177 CD GLU A 11 78.544 0.301 -15.036 1.00 0.00 C ATOM 178 OE1 GLU A 11 77.520 -0.408 -15.121 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.556 0.107 -15.744 1.00 0.00 O ATOM 0 H GLU A 11 79.645 0.602 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 11 79.858 2.839 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.881 0.414 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.188 0.309 -12.262 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.576 1.903 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.261 2.205 -14.377 1.00 0.00 H new ATOM 186 N ASP A 12 77.065 2.402 -10.413 1.00 0.00 N ATOM 187 CA ASP A 12 75.793 3.029 -10.047 1.00 0.00 C ATOM 188 C ASP A 12 76.002 4.464 -9.584 1.00 0.00 C ATOM 189 O ASP A 12 75.317 5.380 -10.035 1.00 0.00 O ATOM 190 CB ASP A 12 75.107 2.232 -8.933 1.00 0.00 C ATOM 191 CG ASP A 12 73.780 2.834 -8.510 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.745 2.477 -9.107 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.761 3.651 -7.564 1.00 0.00 O ATOM 0 H ASP A 12 77.309 1.589 -9.847 1.00 0.00 H new ATOM 0 HA ASP A 12 75.160 3.035 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.945 1.209 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.769 2.181 -8.069 1.00 0.00 H new ATOM 198 N ILE A 13 76.958 4.656 -8.682 1.00 0.00 N ATOM 199 CA ILE A 13 77.236 5.981 -8.141 1.00 0.00 C ATOM 200 C ILE A 13 78.106 6.795 -9.096 1.00 0.00 C ATOM 201 O ILE A 13 78.257 8.005 -8.938 1.00 0.00 O ATOM 202 CB ILE A 13 77.923 5.904 -6.758 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.267 5.173 -6.858 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.010 5.210 -5.757 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.036 5.128 -5.554 1.00 0.00 C ATOM 0 H ILE A 13 77.551 3.914 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 13 76.273 6.478 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 13 78.116 6.919 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.091 4.153 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.881 5.662 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.504 5.161 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.080 5.771 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.791 4.200 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.975 4.595 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.245 6.144 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.443 4.612 -4.799 1.00 0.00 H new ATOM 217 N GLY A 14 78.671 6.122 -10.091 1.00 0.00 N ATOM 218 CA GLY A 14 79.504 6.797 -11.067 1.00 0.00 C ATOM 219 C GLY A 14 80.917 7.013 -10.567 1.00 0.00 C ATOM 220 O GLY A 14 81.520 8.053 -10.822 1.00 0.00 O ATOM 0 H GLY A 14 78.567 5.118 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.532 6.210 -11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.059 7.760 -11.317 1.00 0.00 H new ATOM 224 N GLU A 15 81.443 6.032 -9.849 1.00 0.00 N ATOM 225 CA GLU A 15 82.799 6.107 -9.331 1.00 0.00 C ATOM 226 C GLU A 15 83.775 5.483 -10.320 1.00 0.00 C ATOM 227 O GLU A 15 83.678 4.299 -10.644 1.00 0.00 O ATOM 228 CB GLU A 15 82.888 5.404 -7.971 1.00 0.00 C ATOM 229 CG GLU A 15 84.293 5.353 -7.387 1.00 0.00 C ATOM 230 CD GLU A 15 84.944 6.718 -7.287 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.380 7.609 -6.624 1.00 0.00 O ATOM 232 OE2 GLU A 15 86.037 6.905 -7.862 1.00 0.00 O ATOM 0 H GLU A 15 80.949 5.172 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 15 83.066 7.155 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.232 5.915 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.513 4.386 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.252 4.903 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 84.914 4.705 -8.006 1.00 0.00 H new ATOM 239 N ASP A 16 84.701 6.292 -10.805 1.00 0.00 N ATOM 240 CA ASP A 16 85.698 5.822 -11.752 1.00 0.00 C ATOM 241 C ASP A 16 86.990 5.492 -11.024 1.00 0.00 C ATOM 242 O ASP A 16 87.751 6.381 -10.638 1.00 0.00 O ATOM 243 CB ASP A 16 85.947 6.860 -12.847 1.00 0.00 C ATOM 244 CG ASP A 16 86.975 6.392 -13.856 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.685 5.446 -14.617 1.00 0.00 O ATOM 246 OD2 ASP A 16 88.082 6.967 -13.896 1.00 0.00 O ATOM 0 H ASP A 16 84.783 7.278 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 16 85.321 4.918 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 16 85.010 7.077 -13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.284 7.791 -12.392 1.00 0.00 H new ATOM 251 N TYR A 17 87.217 4.209 -10.825 1.00 0.00 N ATOM 252 CA TYR A 17 88.349 3.737 -10.049 1.00 0.00 C ATOM 253 C TYR A 17 89.507 3.328 -10.946 1.00 0.00 C ATOM 254 O TYR A 17 89.366 3.247 -12.167 1.00 0.00 O ATOM 255 CB TYR A 17 87.922 2.554 -9.176 1.00 0.00 C ATOM 256 CG TYR A 17 87.252 1.431 -9.941 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.901 1.494 -10.260 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.968 0.310 -10.344 1.00 0.00 C ATOM 259 CE1 TYR A 17 85.283 0.475 -10.955 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.355 -0.714 -11.040 1.00 0.00 C ATOM 261 CZ TYR A 17 86.013 -0.627 -11.342 1.00 0.00 C ATOM 262 OH TYR A 17 85.399 -1.644 -12.035 1.00 0.00 O ATOM 0 H TYR A 17 86.625 3.465 -11.195 1.00 0.00 H new ATOM 0 HA TYR A 17 88.689 4.556 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.800 2.158 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 17 87.239 2.912 -8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.324 2.356 -9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 17 89.020 0.238 -10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 17 84.232 0.541 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.925 -1.579 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 17 84.663 -1.278 -12.569 1.00 0.00 H new ATOM 272 N ILE A 18 90.649 3.068 -10.332 1.00 0.00 N ATOM 273 CA ILE A 18 91.820 2.612 -11.057 1.00 0.00 C ATOM 274 C ILE A 18 91.885 1.089 -11.037 1.00 0.00 C ATOM 275 O ILE A 18 92.278 0.486 -10.033 1.00 0.00 O ATOM 276 CB ILE A 18 93.121 3.191 -10.456 1.00 0.00 C ATOM 277 CG1 ILE A 18 93.058 4.723 -10.431 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.332 2.720 -11.252 1.00 0.00 C ATOM 279 CD1 ILE A 18 94.264 5.375 -9.789 1.00 0.00 C ATOM 0 H ILE A 18 90.789 3.166 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 18 91.732 2.965 -12.084 1.00 0.00 H new ATOM 0 HB ILE A 18 93.222 2.830 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.960 5.090 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 18 92.161 5.031 -9.894 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.239 3.137 -10.815 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.384 1.632 -11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.240 3.054 -12.286 1.00 0.00 H new ATOM 0 HD11 ILE A 18 94.146 6.458 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 18 94.353 5.039 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 18 95.163 5.098 -10.339 1.00 0.00 H new ATOM 291 N GLU A 19 91.463 0.473 -12.131 1.00 0.00 N ATOM 292 CA GLU A 19 91.486 -0.976 -12.241 1.00 0.00 C ATOM 293 C GLU A 19 92.808 -1.438 -12.837 1.00 0.00 C ATOM 294 O GLU A 19 93.303 -0.861 -13.805 1.00 0.00 O ATOM 295 CB GLU A 19 90.323 -1.476 -13.105 1.00 0.00 C ATOM 296 CG GLU A 19 90.238 -2.995 -13.180 1.00 0.00 C ATOM 297 CD GLU A 19 89.200 -3.482 -14.169 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.519 -3.577 -15.375 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.068 -3.785 -13.747 1.00 0.00 O ATOM 0 H GLU A 19 91.101 0.954 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 19 91.379 -1.394 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.388 -1.086 -12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.429 -1.075 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.213 -3.394 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.003 -3.389 -12.191 1.00 0.00 H new ATOM 306 N LEU A 20 93.373 -2.469 -12.244 1.00 0.00 N ATOM 307 CA LEU A 20 94.588 -3.078 -12.748 1.00 0.00 C ATOM 308 C LEU A 20 94.395 -4.588 -12.762 1.00 0.00 C ATOM 309 O LEU A 20 93.351 -5.080 -12.333 1.00 0.00 O ATOM 310 CB LEU A 20 95.789 -2.690 -11.876 1.00 0.00 C ATOM 311 CG LEU A 20 97.162 -3.027 -12.464 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.449 -2.163 -13.683 1.00 0.00 C ATOM 313 CD2 LEU A 20 98.250 -2.856 -11.418 1.00 0.00 C ATOM 0 H LEU A 20 93.004 -2.908 -11.401 1.00 0.00 H new ATOM 0 HA LEU A 20 94.791 -2.723 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.747 -1.618 -11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 20 95.693 -3.189 -10.912 1.00 0.00 H new ATOM 0 HG LEU A 20 97.152 -4.071 -12.779 1.00 0.00 H new ATOM 0 HD11 LEU A 20 98.429 -2.417 -14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.687 -2.340 -14.442 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.437 -1.112 -13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 20 99.218 -3.100 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 20 98.260 -1.823 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 98.054 -3.521 -10.577 1.00 0.00 H new ATOM 325 N GLU A 21 95.386 -5.317 -13.248 1.00 0.00 N ATOM 326 CA GLU A 21 95.294 -6.767 -13.327 1.00 0.00 C ATOM 327 C GLU A 21 95.136 -7.379 -11.938 1.00 0.00 C ATOM 328 O GLU A 21 96.101 -7.468 -11.178 1.00 0.00 O ATOM 329 CB GLU A 21 96.524 -7.337 -14.023 1.00 0.00 C ATOM 330 CG GLU A 21 96.692 -6.844 -15.450 1.00 0.00 C ATOM 331 CD GLU A 21 97.868 -7.487 -16.144 1.00 0.00 C ATOM 332 OE1 GLU A 21 97.765 -8.670 -16.521 1.00 0.00 O ATOM 333 OE2 GLU A 21 98.906 -6.815 -16.313 1.00 0.00 O ATOM 0 H GLU A 21 96.264 -4.929 -13.594 1.00 0.00 H new ATOM 0 HA GLU A 21 94.410 -7.022 -13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.412 -7.074 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.458 -8.425 -14.028 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.782 -7.052 -16.013 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.823 -5.762 -15.445 1.00 0.00 H new ATOM 340 N ASN A 22 93.898 -7.767 -11.620 1.00 0.00 N ATOM 341 CA ASN A 22 93.549 -8.377 -10.332 1.00 0.00 C ATOM 342 C ASN A 22 93.586 -7.365 -9.192 1.00 0.00 C ATOM 343 O ASN A 22 93.584 -7.744 -8.020 1.00 0.00 O ATOM 344 CB ASN A 22 94.458 -9.571 -10.006 1.00 0.00 C ATOM 345 CG ASN A 22 94.091 -10.818 -10.787 1.00 0.00 C ATOM 346 OD1 ASN A 22 94.571 -11.036 -11.900 1.00 0.00 O ATOM 347 ND2 ASN A 22 93.249 -11.653 -10.201 1.00 0.00 N ATOM 0 H ASN A 22 93.104 -7.667 -12.252 1.00 0.00 H new ATOM 0 HA ASN A 22 92.526 -8.739 -10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.493 -9.304 -10.222 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.400 -9.786 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.975 -12.515 -10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 22 92.874 -11.435 -9.278 1.00 0.00 H new ATOM 354 N GLU A 23 93.584 -6.080 -9.528 1.00 0.00 N ATOM 355 CA GLU A 23 93.578 -5.033 -8.513 1.00 0.00 C ATOM 356 C GLU A 23 92.519 -3.983 -8.805 1.00 0.00 C ATOM 357 O GLU A 23 92.375 -3.525 -9.937 1.00 0.00 O ATOM 358 CB GLU A 23 94.933 -4.333 -8.406 1.00 0.00 C ATOM 359 CG GLU A 23 96.061 -5.200 -7.880 1.00 0.00 C ATOM 360 CD GLU A 23 97.207 -4.366 -7.346 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.541 -3.334 -7.973 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.749 -4.714 -6.278 1.00 0.00 O ATOM 0 H GLU A 23 93.586 -5.739 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 23 93.355 -5.530 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.211 -3.959 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.827 -3.466 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.683 -5.848 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.424 -5.848 -8.678 1.00 0.00 H new ATOM 369 N ILE A 24 91.786 -3.605 -7.776 1.00 0.00 N ATOM 370 CA ILE A 24 90.864 -2.488 -7.861 1.00 0.00 C ATOM 371 C ILE A 24 91.290 -1.420 -6.864 1.00 0.00 C ATOM 372 O ILE A 24 91.162 -1.602 -5.658 1.00 0.00 O ATOM 373 CB ILE A 24 89.404 -2.913 -7.577 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.920 -3.897 -8.647 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.494 -1.690 -7.523 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.510 -4.405 -8.419 1.00 0.00 C ATOM 0 H ILE A 24 91.812 -4.059 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 24 90.896 -2.099 -8.879 1.00 0.00 H new ATOM 0 HB ILE A 24 89.368 -3.410 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 24 88.968 -3.412 -9.622 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.601 -4.747 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.470 -2.007 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.829 -1.022 -6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.531 -1.166 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.239 -5.096 -9.217 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.460 -4.920 -7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.816 -3.564 -8.416 1.00 0.00 H new ATOM 388 N HIS A 25 91.833 -0.322 -7.362 1.00 0.00 N ATOM 389 CA HIS A 25 92.308 0.738 -6.486 1.00 0.00 C ATOM 390 C HIS A 25 91.232 1.794 -6.297 1.00 0.00 C ATOM 391 O HIS A 25 90.897 2.534 -7.225 1.00 0.00 O ATOM 392 CB HIS A 25 93.598 1.361 -7.031 1.00 0.00 C ATOM 393 CG HIS A 25 94.783 0.445 -6.952 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.720 0.511 -5.941 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.176 -0.574 -7.758 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.636 -0.423 -6.129 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.326 -1.094 -7.220 1.00 0.00 N ATOM 0 H HIS A 25 91.956 -0.141 -8.358 1.00 0.00 H new ATOM 0 HA HIS A 25 92.533 0.302 -5.513 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.441 1.651 -8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.815 2.273 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.677 -0.912 -8.654 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.492 -0.605 -5.497 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.857 -1.876 -7.604 1.00 0.00 H new ATOM 406 N LEU A 26 90.685 1.838 -5.091 1.00 0.00 N ATOM 407 CA LEU A 26 89.617 2.770 -4.758 1.00 0.00 C ATOM 408 C LEU A 26 90.116 3.854 -3.819 1.00 0.00 C ATOM 409 O LEU A 26 91.037 3.629 -3.026 1.00 0.00 O ATOM 410 CB LEU A 26 88.446 2.035 -4.095 1.00 0.00 C ATOM 411 CG LEU A 26 87.531 1.256 -5.039 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.520 0.447 -4.244 1.00 0.00 C ATOM 413 CD2 LEU A 26 86.816 2.210 -5.981 1.00 0.00 C ATOM 0 H LEU A 26 90.967 1.233 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 26 89.280 3.229 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.848 1.343 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.843 2.764 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 26 88.139 0.571 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.875 -0.103 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.045 -0.256 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.914 1.119 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.167 1.644 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.217 2.912 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.551 2.760 -6.569 1.00 0.00 H new ATOM 425 N LYS A 27 89.508 5.029 -3.911 1.00 0.00 N ATOM 426 CA LYS A 27 89.764 6.091 -2.954 1.00 0.00 C ATOM 427 C LYS A 27 89.286 5.639 -1.582 1.00 0.00 C ATOM 428 O LYS A 27 88.199 5.072 -1.469 1.00 0.00 O ATOM 429 CB LYS A 27 89.035 7.376 -3.363 1.00 0.00 C ATOM 430 CG LYS A 27 89.485 7.942 -4.701 1.00 0.00 C ATOM 431 CD LYS A 27 88.621 9.121 -5.130 1.00 0.00 C ATOM 432 CE LYS A 27 87.171 8.703 -5.330 1.00 0.00 C ATOM 433 NZ LYS A 27 86.314 9.833 -5.778 1.00 0.00 N ATOM 0 H LYS A 27 88.835 5.268 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 27 90.833 6.301 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.964 7.176 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.188 8.130 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.526 8.259 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 89.440 7.162 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 27 88.674 9.906 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 27 89.011 9.542 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.125 7.901 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 27 86.779 8.301 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.434 9.460 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.086 10.440 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.821 10.390 -6.495 1.00 0.00 H new ATOM 447 N PRO A 28 90.084 5.870 -0.525 1.00 0.00 N ATOM 448 CA PRO A 28 89.745 5.430 0.838 1.00 0.00 C ATOM 449 C PRO A 28 88.369 5.929 1.277 1.00 0.00 C ATOM 450 O PRO A 28 87.684 5.288 2.074 1.00 0.00 O ATOM 451 CB PRO A 28 90.850 6.052 1.698 1.00 0.00 C ATOM 452 CG PRO A 28 91.991 6.261 0.764 1.00 0.00 C ATOM 453 CD PRO A 28 91.381 6.570 -0.574 1.00 0.00 C ATOM 0 HA PRO A 28 89.691 4.344 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.524 6.993 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.128 5.393 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.626 7.080 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.619 5.372 0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 28 91.254 7.643 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 28 92.003 6.208 -1.393 1.00 0.00 H new ATOM 461 N GLU A 29 87.978 7.073 0.729 1.00 0.00 N ATOM 462 CA GLU A 29 86.676 7.670 0.994 1.00 0.00 C ATOM 463 C GLU A 29 85.556 6.738 0.532 1.00 0.00 C ATOM 464 O GLU A 29 84.693 6.346 1.320 1.00 0.00 O ATOM 465 CB GLU A 29 86.585 9.007 0.261 1.00 0.00 C ATOM 466 CG GLU A 29 87.786 9.905 0.508 1.00 0.00 C ATOM 467 CD GLU A 29 87.896 11.025 -0.500 1.00 0.00 C ATOM 468 OE1 GLU A 29 88.229 10.742 -1.670 1.00 0.00 O ATOM 469 OE2 GLU A 29 87.669 12.193 -0.128 1.00 0.00 O ATOM 0 H GLU A 29 88.557 7.614 0.087 1.00 0.00 H new ATOM 0 HA GLU A 29 86.563 7.830 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.491 8.822 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.680 9.526 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 29 87.717 10.329 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 29 88.695 9.305 0.478 1.00 0.00 H new ATOM 476 N VAL A 30 85.598 6.374 -0.747 1.00 0.00 N ATOM 477 CA VAL A 30 84.606 5.478 -1.334 1.00 0.00 C ATOM 478 C VAL A 30 84.753 4.074 -0.753 1.00 0.00 C ATOM 479 O VAL A 30 83.764 3.393 -0.482 1.00 0.00 O ATOM 480 CB VAL A 30 84.750 5.408 -2.873 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.675 4.521 -3.483 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.703 6.800 -3.484 1.00 0.00 C ATOM 0 H VAL A 30 86.315 6.689 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 30 83.620 5.876 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 30 85.721 4.967 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.800 4.490 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.762 3.513 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.691 4.924 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.806 6.726 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.751 7.272 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.518 7.401 -3.082 1.00 0.00 H new ATOM 492 N PHE A 31 86.003 3.669 -0.550 1.00 0.00 N ATOM 493 CA PHE A 31 86.333 2.350 -0.016 1.00 0.00 C ATOM 494 C PHE A 31 85.561 2.065 1.270 1.00 0.00 C ATOM 495 O PHE A 31 84.973 0.993 1.423 1.00 0.00 O ATOM 496 CB PHE A 31 87.842 2.272 0.245 1.00 0.00 C ATOM 497 CG PHE A 31 88.333 0.922 0.690 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.746 -0.017 -0.241 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.395 0.598 2.036 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.213 -1.252 0.163 1.00 0.00 C ATOM 501 CE2 PHE A 31 88.858 -0.637 2.446 1.00 0.00 C ATOM 502 CZ PHE A 31 89.269 -1.562 1.508 1.00 0.00 C ATOM 0 H PHE A 31 86.819 4.247 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 31 86.047 1.596 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.370 2.553 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.104 3.008 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.702 0.219 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.077 1.320 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.534 -1.975 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 31 88.898 -0.878 3.498 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.634 -2.528 1.825 1.00 0.00 H new ATOM 512 N TYR A 32 85.551 3.034 2.178 1.00 0.00 N ATOM 513 CA TYR A 32 84.864 2.886 3.456 1.00 0.00 C ATOM 514 C TYR A 32 83.371 2.636 3.253 1.00 0.00 C ATOM 515 O TYR A 32 82.782 1.765 3.898 1.00 0.00 O ATOM 516 CB TYR A 32 85.069 4.133 4.322 1.00 0.00 C ATOM 517 CG TYR A 32 84.327 4.086 5.642 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.819 3.347 6.710 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.129 4.769 5.812 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.141 3.295 7.913 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.445 4.720 7.011 1.00 0.00 C ATOM 522 CZ TYR A 32 82.954 3.980 8.057 1.00 0.00 C ATOM 523 OH TYR A 32 82.275 3.929 9.253 1.00 0.00 O ATOM 0 H TYR A 32 86.013 3.935 2.052 1.00 0.00 H new ATOM 0 HA TYR A 32 85.292 2.023 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.134 4.257 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.743 5.010 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.746 2.804 6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.726 5.347 4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.539 2.720 8.736 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.516 5.259 7.129 1.00 0.00 H new ATOM 0 HH TYR A 32 82.775 4.426 9.934 1.00 0.00 H new ATOM 533 N GLU A 33 82.769 3.385 2.337 1.00 0.00 N ATOM 534 CA GLU A 33 81.331 3.311 2.119 1.00 0.00 C ATOM 535 C GLU A 33 80.942 2.067 1.324 1.00 0.00 C ATOM 536 O GLU A 33 79.760 1.768 1.178 1.00 0.00 O ATOM 537 CB GLU A 33 80.826 4.579 1.430 1.00 0.00 C ATOM 538 CG GLU A 33 80.972 5.820 2.298 1.00 0.00 C ATOM 539 CD GLU A 33 80.374 7.059 1.670 1.00 0.00 C ATOM 540 OE1 GLU A 33 79.151 7.271 1.815 1.00 0.00 O ATOM 541 OE2 GLU A 33 81.129 7.838 1.048 1.00 0.00 O ATOM 0 H GLU A 33 83.254 4.050 1.734 1.00 0.00 H new ATOM 0 HA GLU A 33 80.853 3.233 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.375 4.725 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.777 4.449 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.493 5.641 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 33 82.030 5.995 2.496 1.00 0.00 H new ATOM 548 N VAL A 34 81.934 1.353 0.803 1.00 0.00 N ATOM 549 CA VAL A 34 81.697 0.047 0.191 1.00 0.00 C ATOM 550 C VAL A 34 81.901 -1.050 1.234 1.00 0.00 C ATOM 551 O VAL A 34 81.115 -1.996 1.330 1.00 0.00 O ATOM 552 CB VAL A 34 82.637 -0.206 -1.010 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.372 -1.571 -1.631 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.482 0.892 -2.050 1.00 0.00 C ATOM 0 H VAL A 34 82.908 1.654 0.791 1.00 0.00 H new ATOM 0 HA VAL A 34 80.671 0.034 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 34 83.664 -0.194 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.046 -1.724 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 34 82.540 -2.349 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.340 -1.618 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.151 0.697 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.452 0.913 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.731 1.854 -1.603 1.00 0.00 H new ATOM 564 N TRP A 35 82.956 -0.888 2.021 1.00 0.00 N ATOM 565 CA TRP A 35 83.288 -1.803 3.108 1.00 0.00 C ATOM 566 C TRP A 35 82.119 -1.947 4.080 1.00 0.00 C ATOM 567 O TRP A 35 81.673 -3.056 4.369 1.00 0.00 O ATOM 568 CB TRP A 35 84.531 -1.269 3.831 1.00 0.00 C ATOM 569 CG TRP A 35 84.990 -2.099 4.989 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.514 -3.355 4.938 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.996 -1.715 6.370 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.836 -3.784 6.200 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.528 -2.796 7.098 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.597 -0.568 7.061 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.676 -2.761 8.482 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.745 -0.534 8.435 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.279 -1.624 9.133 1.00 0.00 C ATOM 0 H TRP A 35 83.611 -0.112 1.923 1.00 0.00 H new ATOM 0 HA TRP A 35 83.493 -2.793 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.347 -1.191 3.112 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.322 -0.260 4.186 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.655 -3.930 4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.239 -4.692 6.433 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.181 0.276 6.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.089 -3.600 9.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.444 0.349 8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.380 -1.567 10.207 1.00 0.00 H new ATOM 588 N LYS A 36 81.606 -0.818 4.552 1.00 0.00 N ATOM 589 CA LYS A 36 80.525 -0.821 5.531 1.00 0.00 C ATOM 590 C LYS A 36 79.179 -1.093 4.852 1.00 0.00 C ATOM 591 O LYS A 36 78.189 -1.413 5.511 1.00 0.00 O ATOM 592 CB LYS A 36 80.497 0.523 6.265 1.00 0.00 C ATOM 593 CG LYS A 36 79.764 0.491 7.595 1.00 0.00 C ATOM 594 CD LYS A 36 79.861 1.832 8.304 1.00 0.00 C ATOM 595 CE LYS A 36 79.356 1.755 9.736 1.00 0.00 C ATOM 596 NZ LYS A 36 77.909 1.422 9.809 1.00 0.00 N ATOM 0 H LYS A 36 81.920 0.111 4.273 1.00 0.00 H new ATOM 0 HA LYS A 36 80.702 -1.618 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 36 81.522 0.852 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 36 80.026 1.266 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 36 78.717 0.238 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 36 80.186 -0.290 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.898 2.169 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.283 2.575 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 79.927 1.003 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 36 79.532 2.709 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 77.604 1.414 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 77.362 2.134 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 77.747 0.484 9.390 1.00 0.00 H new ATOM 610 N TYR A 37 79.158 -0.982 3.529 1.00 0.00 N ATOM 611 CA TYR A 37 77.943 -1.206 2.749 1.00 0.00 C ATOM 612 C TYR A 37 77.577 -2.684 2.730 1.00 0.00 C ATOM 613 O TYR A 37 76.417 -3.052 2.913 1.00 0.00 O ATOM 614 CB TYR A 37 78.145 -0.694 1.320 1.00 0.00 C ATOM 615 CG TYR A 37 76.997 -0.973 0.372 1.00 0.00 C ATOM 616 CD1 TYR A 37 75.854 -0.182 0.374 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.066 -2.022 -0.536 1.00 0.00 C ATOM 618 CE1 TYR A 37 74.813 -0.433 -0.502 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.032 -2.276 -1.415 1.00 0.00 C ATOM 620 CZ TYR A 37 74.908 -1.480 -1.395 1.00 0.00 C ATOM 621 OH TYR A 37 73.881 -1.730 -2.275 1.00 0.00 O ATOM 0 H TYR A 37 79.974 -0.736 2.969 1.00 0.00 H new ATOM 0 HA TYR A 37 77.124 -0.659 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.313 0.382 1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.050 -1.145 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.777 0.641 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 37 77.944 -2.650 -0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.930 0.188 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.104 -3.095 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 37 74.110 -2.502 -2.834 1.00 0.00 H new ATOM 631 N VAL A 38 78.572 -3.528 2.511 1.00 0.00 N ATOM 632 CA VAL A 38 78.344 -4.964 2.423 1.00 0.00 C ATOM 633 C VAL A 38 78.568 -5.644 3.767 1.00 0.00 C ATOM 634 O VAL A 38 78.363 -6.851 3.910 1.00 0.00 O ATOM 635 CB VAL A 38 79.247 -5.616 1.360 1.00 0.00 C ATOM 636 CG1 VAL A 38 78.923 -5.061 -0.017 1.00 0.00 C ATOM 637 CG2 VAL A 38 80.718 -5.405 1.694 1.00 0.00 C ATOM 0 H VAL A 38 79.545 -3.246 2.391 1.00 0.00 H new ATOM 0 HA VAL A 38 77.304 -5.099 2.128 1.00 0.00 H new ATOM 0 HB VAL A 38 79.055 -6.689 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.568 -5.530 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 77.881 -5.271 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 38 79.087 -3.983 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.336 -5.875 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.933 -4.337 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.939 -5.852 2.663 1.00 0.00 H new ATOM 647 N GLY A 39 78.994 -4.865 4.748 1.00 0.00 N ATOM 648 CA GLY A 39 79.194 -5.392 6.077 1.00 0.00 C ATOM 649 C GLY A 39 80.479 -4.896 6.697 1.00 0.00 C ATOM 650 O GLY A 39 80.480 -3.883 7.400 1.00 0.00 O ATOM 0 H GLY A 39 79.205 -3.872 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.353 -5.108 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.208 -6.481 6.036 1.00 0.00 H new ATOM 654 N GLU A 40 81.575 -5.592 6.393 1.00 0.00 N ATOM 655 CA GLU A 40 82.883 -5.316 6.986 1.00 0.00 C ATOM 656 C GLU A 40 83.890 -6.413 6.615 1.00 0.00 C ATOM 657 O GLU A 40 84.412 -7.104 7.494 1.00 0.00 O ATOM 658 CB GLU A 40 82.791 -5.200 8.517 1.00 0.00 C ATOM 659 CG GLU A 40 82.137 -6.398 9.193 1.00 0.00 C ATOM 660 CD GLU A 40 82.117 -6.277 10.698 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.169 -5.670 11.237 1.00 0.00 O ATOM 662 OE2 GLU A 40 83.040 -6.799 11.356 1.00 0.00 O ATOM 0 H GLU A 40 81.580 -6.365 5.727 1.00 0.00 H new ATOM 0 HA GLU A 40 83.226 -4.362 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 40 83.795 -5.071 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 40 82.228 -4.302 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 81.116 -6.504 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 40 82.672 -7.305 8.912 1.00 0.00 H new ATOM 669 N PRO A 41 84.173 -6.604 5.308 1.00 0.00 N ATOM 670 CA PRO A 41 85.166 -7.584 4.861 1.00 0.00 C ATOM 671 C PRO A 41 86.488 -7.420 5.601 1.00 0.00 C ATOM 672 O PRO A 41 87.022 -6.313 5.690 1.00 0.00 O ATOM 673 CB PRO A 41 85.341 -7.267 3.375 1.00 0.00 C ATOM 674 CG PRO A 41 84.052 -6.643 2.971 1.00 0.00 C ATOM 675 CD PRO A 41 83.561 -5.886 4.173 1.00 0.00 C ATOM 0 HA PRO A 41 84.849 -8.610 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.179 -6.589 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 41 85.543 -8.169 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 41 84.192 -5.976 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 41 83.331 -7.401 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 41 83.872 -4.842 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 41 82.473 -5.893 4.234 1.00 0.00 H new ATOM 683 N GLU A 42 86.991 -8.518 6.151 1.00 0.00 N ATOM 684 CA GLU A 42 88.215 -8.487 6.934 1.00 0.00 C ATOM 685 C GLU A 42 89.379 -8.010 6.076 1.00 0.00 C ATOM 686 O GLU A 42 89.755 -8.651 5.093 1.00 0.00 O ATOM 687 CB GLU A 42 88.492 -9.861 7.540 1.00 0.00 C ATOM 688 CG GLU A 42 87.338 -10.365 8.389 1.00 0.00 C ATOM 689 CD GLU A 42 87.670 -11.623 9.154 1.00 0.00 C ATOM 690 OE1 GLU A 42 87.605 -12.717 8.561 1.00 0.00 O ATOM 691 OE2 GLU A 42 87.982 -11.521 10.361 1.00 0.00 O ATOM 0 H GLU A 42 86.567 -9.442 6.068 1.00 0.00 H new ATOM 0 HA GLU A 42 88.094 -7.780 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.689 -10.574 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.393 -9.810 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.045 -9.586 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 86.478 -10.554 7.747 1.00 0.00 H new ATOM 698 N LEU A 43 89.925 -6.868 6.454 1.00 0.00 N ATOM 699 CA LEU A 43 90.908 -6.175 5.642 1.00 0.00 C ATOM 700 C LEU A 43 92.311 -6.738 5.840 1.00 0.00 C ATOM 701 O LEU A 43 92.807 -6.825 6.964 1.00 0.00 O ATOM 702 CB LEU A 43 90.890 -4.685 5.981 1.00 0.00 C ATOM 703 CG LEU A 43 89.562 -3.971 5.718 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.632 -2.525 6.183 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.203 -4.037 4.241 1.00 0.00 C ATOM 0 H LEU A 43 89.700 -6.396 7.330 1.00 0.00 H new ATOM 0 HA LEU A 43 90.643 -6.322 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.146 -4.566 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.671 -4.189 5.405 1.00 0.00 H new ATOM 0 HG LEU A 43 88.782 -4.479 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.679 -2.034 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.843 -2.496 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.425 -2.007 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.256 -3.524 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.985 -3.555 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.110 -5.079 3.935 1.00 0.00 H new ATOM 717 N LYS A 44 92.942 -7.110 4.735 1.00 0.00 N ATOM 718 CA LYS A 44 94.316 -7.579 4.755 1.00 0.00 C ATOM 719 C LYS A 44 95.249 -6.398 4.521 1.00 0.00 C ATOM 720 O LYS A 44 94.964 -5.534 3.692 1.00 0.00 O ATOM 721 CB LYS A 44 94.551 -8.634 3.667 1.00 0.00 C ATOM 722 CG LYS A 44 93.587 -9.811 3.709 1.00 0.00 C ATOM 723 CD LYS A 44 93.945 -10.846 2.651 1.00 0.00 C ATOM 724 CE LYS A 44 92.935 -11.983 2.600 1.00 0.00 C ATOM 725 NZ LYS A 44 93.360 -13.062 1.665 1.00 0.00 N ATOM 0 H LYS A 44 92.518 -7.095 3.807 1.00 0.00 H new ATOM 0 HA LYS A 44 94.516 -8.033 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.476 -8.154 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.569 -9.012 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.612 -10.271 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.569 -9.458 3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.997 -10.363 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.935 -11.250 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.806 -12.399 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 44 91.966 -11.594 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.525 -13.591 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 93.841 -12.641 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 94.011 -13.709 2.154 1.00 0.00 H new ATOM 739 N THR A 45 96.349 -6.351 5.245 1.00 0.00 N ATOM 740 CA THR A 45 97.300 -5.263 5.097 1.00 0.00 C ATOM 741 C THR A 45 98.652 -5.792 4.645 1.00 0.00 C ATOM 742 O THR A 45 99.048 -6.898 5.019 1.00 0.00 O ATOM 743 CB THR A 45 97.477 -4.483 6.418 1.00 0.00 C ATOM 744 OG1 THR A 45 97.904 -5.366 7.467 1.00 0.00 O ATOM 745 CG2 THR A 45 96.182 -3.799 6.827 1.00 0.00 C ATOM 0 H THR A 45 96.608 -7.051 5.941 1.00 0.00 H new ATOM 0 HA THR A 45 96.901 -4.586 4.342 1.00 0.00 H new ATOM 0 HB THR A 45 98.238 -3.720 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 45 98.014 -4.858 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.336 -3.257 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.878 -3.100 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.403 -4.548 6.967 1.00 0.00 H new ATOM 753 N TYR A 46 99.355 -5.017 3.839 1.00 0.00 N ATOM 754 CA TYR A 46 100.692 -5.394 3.418 1.00 0.00 C ATOM 755 C TYR A 46 101.636 -4.209 3.560 1.00 0.00 C ATOM 756 O TYR A 46 101.242 -3.058 3.340 1.00 0.00 O ATOM 757 CB TYR A 46 100.694 -5.932 1.978 1.00 0.00 C ATOM 758 CG TYR A 46 100.338 -4.916 0.911 1.00 0.00 C ATOM 759 CD1 TYR A 46 99.024 -4.515 0.708 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.322 -4.374 0.093 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.701 -3.604 -0.279 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.007 -3.460 -0.893 1.00 0.00 C ATOM 763 CZ TYR A 46 99.696 -3.079 -1.075 1.00 0.00 C ATOM 764 OH TYR A 46 99.379 -2.177 -2.062 1.00 0.00 O ATOM 0 H TYR A 46 99.025 -4.128 3.465 1.00 0.00 H new ATOM 0 HA TYR A 46 101.042 -6.199 4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.683 -6.335 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.991 -6.762 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.242 -4.922 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.351 -4.673 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.674 -3.305 -0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.784 -3.046 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 46 100.195 -1.904 -2.530 1.00 0.00 H new ATOM 774 N VAL A 47 102.869 -4.491 3.948 1.00 0.00 N ATOM 775 CA VAL A 47 103.859 -3.451 4.157 1.00 0.00 C ATOM 776 C VAL A 47 104.703 -3.270 2.907 1.00 0.00 C ATOM 777 O VAL A 47 105.484 -4.148 2.537 1.00 0.00 O ATOM 778 CB VAL A 47 104.783 -3.772 5.353 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.769 -2.637 5.595 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.967 -4.046 6.607 1.00 0.00 C ATOM 0 H VAL A 47 103.208 -5.437 4.125 1.00 0.00 H new ATOM 0 HA VAL A 47 103.320 -2.530 4.378 1.00 0.00 H new ATOM 0 HB VAL A 47 105.349 -4.671 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.409 -2.885 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.383 -2.493 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.222 -1.719 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.638 -4.270 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.369 -3.168 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.308 -4.897 6.434 1.00 0.00 H new ATOM 790 N ILE A 48 104.529 -2.142 2.245 1.00 0.00 N ATOM 791 CA ILE A 48 105.304 -1.835 1.061 1.00 0.00 C ATOM 792 C ILE A 48 106.122 -0.569 1.282 1.00 0.00 C ATOM 793 O ILE A 48 105.581 0.528 1.427 1.00 0.00 O ATOM 794 CB ILE A 48 104.406 -1.695 -0.197 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.240 -1.252 -1.406 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.250 -0.729 0.052 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.448 -1.155 -2.693 1.00 0.00 C ATOM 0 H ILE A 48 103.856 -1.422 2.509 1.00 0.00 H new ATOM 0 HA ILE A 48 105.982 -2.669 0.882 1.00 0.00 H new ATOM 0 HB ILE A 48 103.976 -2.673 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.687 -0.281 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.060 -1.956 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.640 -0.653 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.638 -1.098 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.646 0.254 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.106 -0.836 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.023 -2.130 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.644 -0.429 -2.572 1.00 0.00 H new ATOM 809 N GLU A 49 107.431 -0.731 1.360 1.00 0.00 N ATOM 810 CA GLU A 49 108.316 0.408 1.486 1.00 0.00 C ATOM 811 C GLU A 49 108.459 1.081 0.135 1.00 0.00 C ATOM 812 O GLU A 49 108.816 0.438 -0.854 1.00 0.00 O ATOM 813 CB GLU A 49 109.685 -0.012 2.023 1.00 0.00 C ATOM 814 CG GLU A 49 109.637 -0.593 3.425 1.00 0.00 C ATOM 815 CD GLU A 49 111.013 -0.904 3.975 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.565 -1.967 3.630 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.550 -0.085 4.756 1.00 0.00 O ATOM 0 H GLU A 49 107.901 -1.636 1.338 1.00 0.00 H new ATOM 0 HA GLU A 49 107.886 1.111 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.120 -0.749 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.348 0.853 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 109.135 0.111 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 109.039 -1.504 3.416 1.00 0.00 H new ATOM 1177 N LYS A 72 108.226 3.204 4.908 1.00 0.00 N ATOM 1178 CA LYS A 72 107.385 2.034 5.128 1.00 0.00 C ATOM 1179 C LYS A 72 105.911 2.408 5.025 1.00 0.00 C ATOM 1180 O LYS A 72 105.337 2.979 5.956 1.00 0.00 O ATOM 1181 CB LYS A 72 107.676 1.420 6.501 1.00 0.00 C ATOM 1182 CG LYS A 72 109.059 0.801 6.614 1.00 0.00 C ATOM 1183 CD LYS A 72 109.378 0.392 8.043 1.00 0.00 C ATOM 1184 CE LYS A 72 110.682 -0.390 8.127 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.800 0.303 7.431 1.00 0.00 N ATOM 0 HA LYS A 72 107.613 1.298 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.570 2.191 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.928 0.656 6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.121 -0.071 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.806 1.513 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.446 1.281 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.563 -0.215 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 110.946 -0.541 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 72 110.540 -1.378 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.702 0.039 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.813 0.022 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.667 1.332 7.501 1.00 0.00 H new ATOM 1199 N ILE A 73 105.305 2.106 3.887 1.00 0.00 N ATOM 1200 CA ILE A 73 103.904 2.423 3.666 1.00 0.00 C ATOM 1201 C ILE A 73 103.036 1.189 3.878 1.00 0.00 C ATOM 1202 O ILE A 73 103.196 0.172 3.202 1.00 0.00 O ATOM 1203 CB ILE A 73 103.659 2.984 2.246 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.527 4.225 1.998 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.185 3.320 2.051 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.236 5.378 2.940 1.00 0.00 C ATOM 0 H ILE A 73 105.762 1.642 3.102 1.00 0.00 H new ATOM 0 HA ILE A 73 103.632 3.191 4.390 1.00 0.00 H new ATOM 0 HB ILE A 73 103.938 2.218 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 73 105.577 3.947 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 73 104.378 4.561 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 73 102.031 3.713 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.586 2.419 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.882 4.068 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.890 6.217 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 73 103.196 5.685 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 73 104.413 5.062 3.968 1.00 0.00 H new ATOM 1218 N LYS A 74 102.139 1.277 4.840 1.00 0.00 N ATOM 1219 CA LYS A 74 101.202 0.204 5.108 1.00 0.00 C ATOM 1220 C LYS A 74 99.916 0.455 4.329 1.00 0.00 C ATOM 1221 O LYS A 74 99.260 1.477 4.521 1.00 0.00 O ATOM 1222 CB LYS A 74 100.915 0.134 6.610 1.00 0.00 C ATOM 1223 CG LYS A 74 100.154 -1.106 7.049 1.00 0.00 C ATOM 1224 CD LYS A 74 99.793 -1.022 8.524 1.00 0.00 C ATOM 1225 CE LYS A 74 99.164 -2.308 9.036 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.144 -3.423 9.102 1.00 0.00 N ATOM 0 H LYS A 74 102.039 2.086 5.453 1.00 0.00 H new ATOM 0 HA LYS A 74 101.628 -0.748 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.861 0.175 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.345 1.016 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.247 -1.212 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.760 -1.994 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 100.690 -0.802 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.101 -0.194 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.744 -2.136 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.337 -2.591 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.716 -4.232 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.412 -3.707 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.991 -3.111 9.618 1.00 0.00 H new ATOM 1240 N LYS A 75 99.572 -0.455 3.431 1.00 0.00 N ATOM 1241 CA LYS A 75 98.352 -0.321 2.648 1.00 0.00 C ATOM 1242 C LYS A 75 97.417 -1.488 2.930 1.00 0.00 C ATOM 1243 O LYS A 75 97.852 -2.536 3.415 1.00 0.00 O ATOM 1244 CB LYS A 75 98.671 -0.210 1.154 1.00 0.00 C ATOM 1245 CG LYS A 75 99.392 1.082 0.789 1.00 0.00 C ATOM 1246 CD LYS A 75 99.714 1.153 -0.696 1.00 0.00 C ATOM 1247 CE LYS A 75 100.493 2.416 -1.042 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.678 3.654 -0.879 1.00 0.00 N ATOM 0 H LYS A 75 100.118 -1.292 3.226 1.00 0.00 H new ATOM 0 HA LYS A 75 97.847 0.599 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 75 99.287 -1.059 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.743 -0.274 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.772 1.934 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.315 1.158 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 75 100.294 0.277 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.788 1.127 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 75 101.376 2.480 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.846 2.350 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.231 4.477 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.814 3.579 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.419 3.770 0.122 1.00 0.00 H new ATOM 1262 N VAL A 76 96.140 -1.305 2.635 1.00 0.00 N ATOM 1263 CA VAL A 76 95.124 -2.268 3.029 1.00 0.00 C ATOM 1264 C VAL A 76 94.222 -2.625 1.849 1.00 0.00 C ATOM 1265 O VAL A 76 93.989 -1.799 0.964 1.00 0.00 O ATOM 1266 CB VAL A 76 94.280 -1.713 4.203 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.519 -0.463 3.793 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.329 -2.767 4.741 1.00 0.00 C ATOM 0 H VAL A 76 95.782 -0.498 2.124 1.00 0.00 H new ATOM 0 HA VAL A 76 95.628 -3.176 3.358 1.00 0.00 H new ATOM 0 HB VAL A 76 94.970 -1.440 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.936 -0.098 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 76 94.225 0.306 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.849 -0.700 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.750 -2.348 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.653 -3.086 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.900 -3.624 5.098 1.00 0.00 H new ATOM 1278 N TYR A 77 93.737 -3.860 1.831 1.00 0.00 N ATOM 1279 CA TYR A 77 92.869 -4.326 0.762 1.00 0.00 C ATOM 1280 C TYR A 77 91.988 -5.470 1.246 1.00 0.00 C ATOM 1281 O TYR A 77 92.328 -6.160 2.207 1.00 0.00 O ATOM 1282 CB TYR A 77 93.709 -4.796 -0.435 1.00 0.00 C ATOM 1283 CG TYR A 77 94.528 -6.048 -0.173 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.783 -5.975 0.420 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.045 -7.303 -0.529 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.529 -7.116 0.657 1.00 0.00 C ATOM 1287 CE2 TYR A 77 94.784 -8.446 -0.295 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.025 -8.347 0.297 1.00 0.00 C ATOM 1289 OH TYR A 77 96.763 -9.486 0.528 1.00 0.00 O ATOM 0 H TYR A 77 93.932 -4.558 2.549 1.00 0.00 H new ATOM 0 HA TYR A 77 92.232 -3.497 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.045 -4.981 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.382 -3.991 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.183 -5.012 0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.075 -7.385 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.501 -7.042 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.392 -9.413 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 77 96.263 -10.269 0.216 1.00 0.00 H new ATOM 1299 N PHE A 78 90.858 -5.674 0.588 1.00 0.00 N ATOM 1300 CA PHE A 78 90.075 -6.873 0.823 1.00 0.00 C ATOM 1301 C PHE A 78 90.036 -7.700 -0.452 1.00 0.00 C ATOM 1302 O PHE A 78 89.947 -7.158 -1.558 1.00 0.00 O ATOM 1303 CB PHE A 78 88.665 -6.569 1.361 1.00 0.00 C ATOM 1304 CG PHE A 78 87.749 -5.813 0.437 1.00 0.00 C ATOM 1305 CD1 PHE A 78 86.920 -6.487 -0.446 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.689 -4.430 0.481 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.053 -5.796 -1.269 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.826 -3.733 -0.342 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.006 -4.417 -1.218 1.00 0.00 C ATOM 0 H PHE A 78 90.468 -5.034 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 78 90.560 -7.452 1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.186 -7.513 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.766 -5.999 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.953 -7.566 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.325 -3.890 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.412 -6.334 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.792 -2.654 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.330 -3.874 -1.862 1.00 0.00 H new ATOM 1319 N GLU A 79 90.138 -9.006 -0.290 1.00 0.00 N ATOM 1320 CA GLU A 79 90.330 -9.903 -1.414 1.00 0.00 C ATOM 1321 C GLU A 79 89.067 -10.717 -1.669 1.00 0.00 C ATOM 1322 O GLU A 79 88.527 -11.346 -0.758 1.00 0.00 O ATOM 1323 CB GLU A 79 91.529 -10.803 -1.113 1.00 0.00 C ATOM 1324 CG GLU A 79 92.035 -11.607 -2.296 1.00 0.00 C ATOM 1325 CD GLU A 79 93.443 -12.116 -2.061 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.770 -12.464 -0.905 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.235 -12.154 -3.025 1.00 0.00 O ATOM 0 H GLU A 79 90.091 -9.472 0.616 1.00 0.00 H new ATOM 0 HA GLU A 79 90.530 -9.334 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 79 92.344 -10.185 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.256 -11.492 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.368 -12.450 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.016 -10.988 -3.193 1.00 0.00 H new ATOM 1334 N THR A 80 88.597 -10.686 -2.907 1.00 0.00 N ATOM 1335 CA THR A 80 87.345 -11.329 -3.273 1.00 0.00 C ATOM 1336 C THR A 80 87.553 -12.784 -3.686 1.00 0.00 C ATOM 1337 O THR A 80 88.679 -13.287 -3.698 1.00 0.00 O ATOM 1338 CB THR A 80 86.670 -10.575 -4.431 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.581 -10.464 -5.533 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.222 -9.189 -3.989 1.00 0.00 C ATOM 0 H THR A 80 89.069 -10.218 -3.681 1.00 0.00 H new ATOM 0 HA THR A 80 86.706 -11.305 -2.390 1.00 0.00 H new ATOM 0 HB THR A 80 85.789 -11.137 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 80 87.264 -9.772 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.748 -8.676 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.510 -9.281 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.087 -8.616 -3.655 1.00 0.00 H new ATOM 1348 N LEU A 81 86.457 -13.447 -4.044 1.00 0.00 N ATOM 1349 CA LEU A 81 86.506 -14.831 -4.498 1.00 0.00 C ATOM 1350 C LEU A 81 87.152 -14.911 -5.877 1.00 0.00 C ATOM 1351 O LEU A 81 87.683 -15.953 -6.267 1.00 0.00 O ATOM 1352 CB LEU A 81 85.099 -15.447 -4.547 1.00 0.00 C ATOM 1353 CG LEU A 81 84.422 -15.699 -3.190 1.00 0.00 C ATOM 1354 CD1 LEU A 81 84.004 -14.395 -2.525 1.00 0.00 C ATOM 1355 CD2 LEU A 81 83.218 -16.611 -3.365 1.00 0.00 C ATOM 0 H LEU A 81 85.520 -13.044 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 81 87.106 -15.397 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.457 -14.790 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.158 -16.395 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 81 85.148 -16.187 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.529 -14.611 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.883 -13.772 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.300 -13.868 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.747 -16.782 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 81 82.501 -16.142 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.541 -17.564 -3.784 1.00 0.00 H new ATOM 1367 N ASP A 82 87.114 -13.796 -6.603 1.00 0.00 N ATOM 1368 CA ASP A 82 87.702 -13.716 -7.938 1.00 0.00 C ATOM 1369 C ASP A 82 89.222 -13.638 -7.844 1.00 0.00 C ATOM 1370 O ASP A 82 89.921 -13.744 -8.853 1.00 0.00 O ATOM 1371 CB ASP A 82 87.208 -12.465 -8.681 1.00 0.00 C ATOM 1372 CG ASP A 82 85.717 -12.224 -8.562 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.293 -11.640 -7.540 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.968 -12.584 -9.493 1.00 0.00 O ATOM 0 H ASP A 82 86.679 -12.930 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 82 87.401 -14.611 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.738 -11.594 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.468 -12.556 -9.736 1.00 0.00 H new ATOM 1379 N ASN A 83 89.718 -13.446 -6.617 1.00 0.00 N ATOM 1380 CA ASN A 83 91.134 -13.169 -6.365 1.00 0.00 C ATOM 1381 C ASN A 83 91.500 -11.791 -6.892 1.00 0.00 C ATOM 1382 O ASN A 83 92.640 -11.531 -7.277 1.00 0.00 O ATOM 1383 CB ASN A 83 92.056 -14.241 -6.963 1.00 0.00 C ATOM 1384 CG ASN A 83 92.181 -15.460 -6.069 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.423 -16.424 -6.196 1.00 0.00 O ATOM 1386 ND2 ASN A 83 93.141 -15.428 -5.156 1.00 0.00 N ATOM 0 H ASN A 83 89.148 -13.478 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 83 91.283 -13.192 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.671 -14.545 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 83 93.045 -13.814 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 83 93.273 -16.220 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 83 93.748 -14.612 -5.083 1.00 0.00 H new ATOM 1393 N VAL A 84 90.511 -10.909 -6.904 1.00 0.00 N ATOM 1394 CA VAL A 84 90.733 -9.515 -7.239 1.00 0.00 C ATOM 1395 C VAL A 84 90.840 -8.712 -5.953 1.00 0.00 C ATOM 1396 O VAL A 84 89.966 -8.786 -5.087 1.00 0.00 O ATOM 1397 CB VAL A 84 89.602 -8.944 -8.123 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.854 -7.478 -8.448 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.460 -9.757 -9.401 1.00 0.00 C ATOM 0 H VAL A 84 89.542 -11.139 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 84 91.658 -9.444 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 84 88.669 -9.012 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.044 -7.099 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.900 -6.903 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.799 -7.381 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.659 -9.340 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.396 -9.724 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.224 -10.791 -9.150 1.00 0.00 H new ATOM 1409 N ARG A 85 91.918 -7.968 -5.816 1.00 0.00 N ATOM 1410 CA ARG A 85 92.203 -7.273 -4.577 1.00 0.00 C ATOM 1411 C ARG A 85 91.831 -5.804 -4.674 1.00 0.00 C ATOM 1412 O ARG A 85 92.410 -5.052 -5.461 1.00 0.00 O ATOM 1413 CB ARG A 85 93.681 -7.430 -4.233 1.00 0.00 C ATOM 1414 CG ARG A 85 94.109 -8.884 -4.150 1.00 0.00 C ATOM 1415 CD ARG A 85 95.611 -9.028 -3.990 1.00 0.00 C ATOM 1416 NE ARG A 85 96.015 -10.429 -4.027 1.00 0.00 N ATOM 1417 CZ ARG A 85 97.081 -10.876 -4.683 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.851 -10.030 -5.356 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.369 -12.170 -4.675 1.00 0.00 N ATOM 0 H ARG A 85 92.613 -7.829 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 85 91.600 -7.713 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.282 -6.921 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.883 -6.941 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.608 -9.362 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.789 -9.408 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.118 -8.480 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.923 -8.582 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 85 95.446 -11.106 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.625 -9.035 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.669 -10.374 -5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.773 -12.822 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 85 98.187 -12.514 -5.178 1.00 0.00 H new ATOM 1433 N VAL A 86 90.848 -5.404 -3.884 1.00 0.00 N ATOM 1434 CA VAL A 86 90.457 -4.010 -3.804 1.00 0.00 C ATOM 1435 C VAL A 86 91.365 -3.293 -2.818 1.00 0.00 C ATOM 1436 O VAL A 86 91.188 -3.396 -1.603 1.00 0.00 O ATOM 1437 CB VAL A 86 88.984 -3.853 -3.379 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.577 -2.388 -3.380 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.077 -4.662 -4.294 1.00 0.00 C ATOM 0 H VAL A 86 90.306 -6.029 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 86 90.558 -3.568 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 86 88.878 -4.235 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.534 -2.300 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.205 -1.835 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.700 -1.977 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.041 -4.540 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.189 -4.311 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.351 -5.716 -4.239 1.00 0.00 H new ATOM 1449 N VAL A 87 92.350 -2.590 -3.355 1.00 0.00 N ATOM 1450 CA VAL A 87 93.405 -1.999 -2.551 1.00 0.00 C ATOM 1451 C VAL A 87 93.188 -0.504 -2.368 1.00 0.00 C ATOM 1452 O VAL A 87 92.784 0.199 -3.300 1.00 0.00 O ATOM 1453 CB VAL A 87 94.794 -2.225 -3.196 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.907 -1.769 -2.266 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.983 -3.685 -3.581 1.00 0.00 C ATOM 0 H VAL A 87 92.439 -2.414 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 87 93.373 -2.490 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 87 94.842 -1.624 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.872 -1.939 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.790 -0.707 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.858 -2.334 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.966 -3.818 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.905 -4.309 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.213 -3.975 -4.296 1.00 0.00 H new ATOM 1465 N THR A 88 93.462 -0.029 -1.166 1.00 0.00 N ATOM 1466 CA THR A 88 93.415 1.383 -0.866 1.00 0.00 C ATOM 1467 C THR A 88 94.535 1.716 0.120 1.00 0.00 C ATOM 1468 O THR A 88 95.313 0.833 0.496 1.00 0.00 O ATOM 1469 CB THR A 88 92.040 1.795 -0.291 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.886 3.217 -0.356 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.882 1.331 1.151 1.00 0.00 C ATOM 0 H THR A 88 93.723 -0.615 -0.373 1.00 0.00 H new ATOM 0 HA THR A 88 93.557 1.946 -1.789 1.00 0.00 H new ATOM 0 HB THR A 88 91.269 1.315 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 88 91.591 3.473 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.905 1.636 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 88 91.965 0.245 1.195 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.663 1.779 1.765 1.00 0.00 H new ATOM 1479 N ASP A 89 94.632 2.966 0.536 1.00 0.00 N ATOM 1480 CA ASP A 89 95.703 3.369 1.433 1.00 0.00 C ATOM 1481 C ASP A 89 95.247 3.284 2.885 1.00 0.00 C ATOM 1482 O ASP A 89 94.258 3.903 3.273 1.00 0.00 O ATOM 1483 CB ASP A 89 96.184 4.782 1.113 1.00 0.00 C ATOM 1484 CG ASP A 89 97.455 5.119 1.857 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.551 4.855 1.313 1.00 0.00 O ATOM 1486 OD2 ASP A 89 97.366 5.632 2.988 1.00 0.00 O ATOM 0 H ASP A 89 93.990 3.713 0.271 1.00 0.00 H new ATOM 0 HA ASP A 89 96.537 2.683 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.354 4.875 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.407 5.500 1.376 1.00 0.00 H new ATOM 1491 N TYR A 90 95.983 2.514 3.677 1.00 0.00 N ATOM 1492 CA TYR A 90 95.638 2.274 5.075 1.00 0.00 C ATOM 1493 C TYR A 90 95.822 3.535 5.912 1.00 0.00 C ATOM 1494 O TYR A 90 95.054 3.788 6.842 1.00 0.00 O ATOM 1495 CB TYR A 90 96.499 1.129 5.621 1.00 0.00 C ATOM 1496 CG TYR A 90 96.340 0.858 7.102 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.375 -0.026 7.568 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.170 1.475 8.031 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.240 -0.282 8.919 1.00 0.00 C ATOM 1500 CE2 TYR A 90 97.043 1.221 9.380 1.00 0.00 C ATOM 1501 CZ TYR A 90 96.077 0.343 9.820 1.00 0.00 C ATOM 1502 OH TYR A 90 95.952 0.084 11.163 1.00 0.00 O ATOM 0 H TYR A 90 96.833 2.040 3.371 1.00 0.00 H new ATOM 0 HA TYR A 90 94.586 1.994 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.256 0.219 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.546 1.354 5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.721 -0.520 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.927 2.165 7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.483 -0.968 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.697 1.708 10.088 1.00 0.00 H new ATOM 0 HH TYR A 90 96.618 0.604 11.660 1.00 0.00 H new ATOM 1512 N SER A 91 96.823 4.330 5.566 1.00 0.00 N ATOM 1513 CA SER A 91 97.122 5.540 6.310 1.00 0.00 C ATOM 1514 C SER A 91 95.975 6.537 6.163 1.00 0.00 C ATOM 1515 O SER A 91 95.465 7.067 7.156 1.00 0.00 O ATOM 1516 CB SER A 91 98.439 6.149 5.818 1.00 0.00 C ATOM 1517 OG SER A 91 98.889 7.184 6.677 1.00 0.00 O ATOM 0 H SER A 91 97.442 4.157 4.774 1.00 0.00 H new ATOM 0 HA SER A 91 97.233 5.294 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 91 99.200 5.371 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.304 6.544 4.811 1.00 0.00 H new ATOM 0 HG SER A 91 99.732 7.549 6.335 1.00 0.00 H new ATOM 1523 N GLU A 92 95.557 6.766 4.922 1.00 0.00 N ATOM 1524 CA GLU A 92 94.435 7.656 4.641 1.00 0.00 C ATOM 1525 C GLU A 92 93.134 7.083 5.191 1.00 0.00 C ATOM 1526 O GLU A 92 92.297 7.816 5.718 1.00 0.00 O ATOM 1527 CB GLU A 92 94.296 7.894 3.137 1.00 0.00 C ATOM 1528 CG GLU A 92 95.482 8.610 2.514 1.00 0.00 C ATOM 1529 CD GLU A 92 95.743 9.965 3.140 1.00 0.00 C ATOM 1530 OE1 GLU A 92 95.037 10.936 2.798 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.659 10.071 3.979 1.00 0.00 O ATOM 0 H GLU A 92 95.979 6.347 4.093 1.00 0.00 H new ATOM 0 HA GLU A 92 94.636 8.607 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.161 6.934 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.394 8.478 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.372 7.989 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.305 8.736 1.446 1.00 0.00 H new ATOM 1538 N PHE A 93 92.972 5.770 5.068 1.00 0.00 N ATOM 1539 CA PHE A 93 91.773 5.093 5.549 1.00 0.00 C ATOM 1540 C PHE A 93 91.615 5.278 7.057 1.00 0.00 C ATOM 1541 O PHE A 93 90.533 5.607 7.538 1.00 0.00 O ATOM 1542 CB PHE A 93 91.828 3.603 5.196 1.00 0.00 C ATOM 1543 CG PHE A 93 90.565 2.853 5.515 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.391 3.124 4.828 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.553 1.873 6.494 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.231 2.431 5.112 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.394 1.178 6.782 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.232 1.457 6.090 1.00 0.00 C ATOM 0 H PHE A 93 93.659 5.151 4.637 1.00 0.00 H new ATOM 0 HA PHE A 93 90.907 5.537 5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 93 92.041 3.500 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.657 3.143 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.384 3.886 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.459 1.650 7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.324 2.651 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.397 0.417 7.548 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.326 0.914 6.314 1.00 0.00 H new ATOM 1558 N GLN A 94 92.707 5.086 7.794 1.00 0.00 N ATOM 1559 CA GLN A 94 92.699 5.274 9.242 1.00 0.00 C ATOM 1560 C GLN A 94 92.292 6.698 9.610 1.00 0.00 C ATOM 1561 O GLN A 94 91.549 6.914 10.574 1.00 0.00 O ATOM 1562 CB GLN A 94 94.072 4.951 9.832 1.00 0.00 C ATOM 1563 CG GLN A 94 94.282 3.473 10.111 1.00 0.00 C ATOM 1564 CD GLN A 94 93.320 2.939 11.156 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.892 3.667 12.053 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.977 1.666 11.053 1.00 0.00 N ATOM 0 H GLN A 94 93.608 4.800 7.412 1.00 0.00 H new ATOM 0 HA GLN A 94 91.963 4.589 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.844 5.295 9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.200 5.509 10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 94 94.158 2.910 9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 94 95.306 3.312 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.353 1.096 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 94 92.336 1.254 11.731 1.00 0.00 H new ATOM 1575 N LYS A 95 92.775 7.658 8.832 1.00 0.00 N ATOM 1576 CA LYS A 95 92.430 9.060 9.027 1.00 0.00 C ATOM 1577 C LYS A 95 90.934 9.285 8.825 1.00 0.00 C ATOM 1578 O LYS A 95 90.288 9.976 9.612 1.00 0.00 O ATOM 1579 CB LYS A 95 93.231 9.931 8.058 1.00 0.00 C ATOM 1580 CG LYS A 95 94.718 9.983 8.374 1.00 0.00 C ATOM 1581 CD LYS A 95 95.537 10.435 7.173 1.00 0.00 C ATOM 1582 CE LYS A 95 95.055 11.765 6.617 1.00 0.00 C ATOM 1583 NZ LYS A 95 95.851 12.185 5.435 1.00 0.00 N ATOM 0 H LYS A 95 93.412 7.489 8.054 1.00 0.00 H new ATOM 0 HA LYS A 95 92.680 9.339 10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.096 9.552 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.829 10.944 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.889 10.665 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 95 95.056 8.997 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 95 96.584 10.522 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 95 95.483 9.676 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 95 94.004 11.684 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 95 95.122 12.529 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 96.464 12.984 5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 96.438 11.390 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 95.209 12.476 4.670 1.00 0.00 H new ATOM 1597 N ILE A 96 90.384 8.677 7.782 1.00 0.00 N ATOM 1598 CA ILE A 96 88.962 8.805 7.481 1.00 0.00 C ATOM 1599 C ILE A 96 88.117 8.099 8.537 1.00 0.00 C ATOM 1600 O ILE A 96 87.018 8.547 8.868 1.00 0.00 O ATOM 1601 CB ILE A 96 88.633 8.256 6.075 1.00 0.00 C ATOM 1602 CG1 ILE A 96 89.403 9.053 5.020 1.00 0.00 C ATOM 1603 CG2 ILE A 96 87.133 8.312 5.803 1.00 0.00 C ATOM 1604 CD1 ILE A 96 89.164 8.580 3.606 1.00 0.00 C ATOM 0 H ILE A 96 90.901 8.089 7.128 1.00 0.00 H new ATOM 0 HA ILE A 96 88.718 9.867 7.495 1.00 0.00 H new ATOM 0 HB ILE A 96 88.939 7.211 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 96 89.122 10.103 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 96 90.469 8.992 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.929 7.920 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.606 7.711 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.791 9.345 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.743 9.192 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 96 89.472 7.539 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 96 88.104 8.667 3.367 1.00 0.00 H new ATOM 1616 N LEU A 97 88.639 7.003 9.082 1.00 0.00 N ATOM 1617 CA LEU A 97 87.975 6.310 10.181 1.00 0.00 C ATOM 1618 C LEU A 97 87.784 7.253 11.363 1.00 0.00 C ATOM 1619 O LEU A 97 86.763 7.211 12.048 1.00 0.00 O ATOM 1620 CB LEU A 97 88.780 5.087 10.622 1.00 0.00 C ATOM 1621 CG LEU A 97 88.852 3.946 9.608 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.713 2.816 10.144 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.458 3.439 9.276 1.00 0.00 C ATOM 0 H LEU A 97 89.516 6.578 8.782 1.00 0.00 H new ATOM 0 HA LEU A 97 87.000 5.975 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.796 5.407 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.347 4.702 11.545 1.00 0.00 H new ATOM 0 HG LEU A 97 89.307 4.326 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.755 2.011 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.721 3.185 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.283 2.439 11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.529 2.627 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.977 3.075 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.867 4.251 8.853 1.00 0.00 H new ATOM 1635 N LYS A 98 88.772 8.114 11.585 1.00 0.00 N ATOM 1636 CA LYS A 98 88.700 9.100 12.657 1.00 0.00 C ATOM 1637 C LYS A 98 87.737 10.222 12.279 1.00 0.00 C ATOM 1638 O LYS A 98 87.035 10.766 13.132 1.00 0.00 O ATOM 1639 CB LYS A 98 90.089 9.669 12.949 1.00 0.00 C ATOM 1640 CG LYS A 98 91.146 8.600 13.172 1.00 0.00 C ATOM 1641 CD LYS A 98 90.818 7.714 14.365 1.00 0.00 C ATOM 1642 CE LYS A 98 91.695 6.471 14.386 1.00 0.00 C ATOM 1643 NZ LYS A 98 91.409 5.574 13.233 1.00 0.00 N ATOM 0 H LYS A 98 89.632 8.149 11.037 1.00 0.00 H new ATOM 0 HA LYS A 98 88.329 8.610 13.557 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.395 10.304 12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.034 10.305 13.833 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.234 7.985 12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 98 92.115 9.075 13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 98 90.958 8.276 15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 98 89.769 7.421 14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.744 6.766 14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 98 91.534 5.928 15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 92.169 4.870 13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 90.503 5.087 13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.354 6.137 12.360 1.00 0.00 H new ATOM 1657 N LYS A 99 87.707 10.555 10.992 1.00 0.00 N ATOM 1658 CA LYS A 99 86.784 11.562 10.471 1.00 0.00 C ATOM 1659 C LYS A 99 85.338 11.114 10.649 1.00 0.00 C ATOM 1660 O LYS A 99 84.491 11.875 11.112 1.00 0.00 O ATOM 1661 CB LYS A 99 87.056 11.822 8.988 1.00 0.00 C ATOM 1662 CG LYS A 99 88.417 12.431 8.698 1.00 0.00 C ATOM 1663 CD LYS A 99 88.647 12.562 7.202 1.00 0.00 C ATOM 1664 CE LYS A 99 89.985 13.211 6.888 1.00 0.00 C ATOM 1665 NZ LYS A 99 90.050 14.620 7.360 1.00 0.00 N ATOM 0 H LYS A 99 88.315 10.140 10.286 1.00 0.00 H new ATOM 0 HA LYS A 99 86.942 12.483 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 99 86.969 10.881 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.284 12.487 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 99 88.488 13.412 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 99 89.198 11.810 9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 99 88.605 11.575 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 99 87.844 13.154 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 90.784 12.636 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 99 90.158 13.182 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 90.905 15.074 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 89.209 15.135 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 90.082 14.637 8.399 1.00 0.00 H new ATOM 1679 N ARG A 100 85.067 9.865 10.284 1.00 0.00 N ATOM 1680 CA ARG A 100 83.730 9.302 10.409 1.00 0.00 C ATOM 1681 C ARG A 100 83.415 9.005 11.874 1.00 0.00 C ATOM 1682 O ARG A 100 82.252 8.889 12.263 1.00 0.00 O ATOM 1683 CB ARG A 100 83.610 8.020 9.576 1.00 0.00 C ATOM 1684 CG ARG A 100 82.186 7.488 9.460 1.00 0.00 C ATOM 1685 CD ARG A 100 81.385 8.206 8.378 1.00 0.00 C ATOM 1686 NE ARG A 100 81.410 9.662 8.521 1.00 0.00 N ATOM 1687 CZ ARG A 100 80.323 10.434 8.521 1.00 0.00 C ATOM 1688 NH1 ARG A 100 79.111 9.900 8.425 1.00 0.00 N ATOM 1689 NH2 ARG A 100 80.447 11.748 8.614 1.00 0.00 N ATOM 0 H ARG A 100 85.759 9.223 9.898 1.00 0.00 H new ATOM 0 HA ARG A 100 83.012 10.032 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.998 8.211 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 100 84.240 7.250 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.216 6.421 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.679 7.600 10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.782 7.935 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 100 80.352 7.861 8.409 1.00 0.00 H new ATOM 0 HE ARG A 100 82.317 10.116 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 100 79.004 8.888 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 100 78.287 10.501 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 100 81.373 12.169 8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 100 79.616 12.340 8.614 1.00 0.00 H new ATOM 1703 N GLY A 101 84.463 8.881 12.680 1.00 0.00 N ATOM 1704 CA GLY A 101 84.293 8.626 14.098 1.00 0.00 C ATOM 1705 C GLY A 101 83.948 7.182 14.383 1.00 0.00 C ATOM 1706 O GLY A 101 83.181 6.886 15.301 1.00 0.00 O ATOM 0 H GLY A 101 85.433 8.953 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.210 8.889 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.505 9.270 14.489 1.00 0.00 H new