USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 35 ASN : amide:sc= 0.792 K(o=1.7,f=-3.6) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -176:sc= 0.933 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 156:sc= 1.31 USER MOD Single : A 13 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0856) USER MOD Single : A 24 ASN : amide:sc= 1.91 K(o=1.9,f=-5.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 100:sc= 0.0633 USER MOD Single : A 42 MET CE :methyl 175:sc= 0 (180deg=-0.0258) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0765) USER MOD Single : A 45 THR OG1 : rot 167:sc= 1.05 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 158:sc= 0.218 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 27:sc= 1.2 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= -0.0787 (180deg=-1.79) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= -0.0336 (180deg=-0.182) USER MOD Single : A 90 ASN : amide:sc= 0.776 K(o=0.78,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.431 -15.175 -4.766 1.00 0.00 N ATOM 2 CA GLY A 1 9.585 -14.921 -3.322 1.00 0.00 C ATOM 3 C GLY A 1 8.764 -13.714 -2.881 1.00 0.00 C ATOM 4 O GLY A 1 7.752 -13.859 -2.198 1.00 0.00 O ATOM 0 H1 GLY A 1 10.001 -16.002 -5.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.430 -15.359 -4.981 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.753 -14.343 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.272 -15.801 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.637 -14.752 -3.090 1.00 0.00 H new ATOM 10 N GLU A 2 9.197 -12.515 -3.275 1.00 0.00 N ATOM 11 CA GLU A 2 8.571 -11.270 -2.856 1.00 0.00 C ATOM 12 C GLU A 2 7.242 -11.035 -3.580 1.00 0.00 C ATOM 13 O GLU A 2 7.152 -10.139 -4.417 1.00 0.00 O ATOM 14 CB GLU A 2 9.522 -10.084 -3.075 1.00 0.00 C ATOM 15 CG GLU A 2 10.951 -10.326 -2.568 1.00 0.00 C ATOM 16 CD GLU A 2 11.852 -10.767 -3.710 1.00 0.00 C ATOM 17 OE1 GLU A 2 11.859 -11.991 -3.982 1.00 0.00 O ATOM 18 OE2 GLU A 2 12.463 -9.862 -4.323 1.00 0.00 O ATOM 0 H GLU A 2 9.995 -12.385 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 2 8.357 -11.353 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.560 -9.854 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.113 -9.207 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.343 -9.414 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.943 -11.088 -1.788 1.00 0.00 H new ATOM 25 N TRP A 3 6.224 -11.834 -3.256 1.00 0.00 N ATOM 26 CA TRP A 3 4.835 -11.625 -3.644 1.00 0.00 C ATOM 27 C TRP A 3 3.967 -12.506 -2.757 1.00 0.00 C ATOM 28 O TRP A 3 3.608 -13.620 -3.129 1.00 0.00 O ATOM 29 CB TRP A 3 4.621 -11.844 -5.140 1.00 0.00 C ATOM 30 CG TRP A 3 3.251 -11.614 -5.707 1.00 0.00 C ATOM 31 CD1 TRP A 3 2.662 -12.418 -6.619 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.355 -10.470 -5.556 1.00 0.00 C ATOM 33 NE1 TRP A 3 1.469 -11.864 -7.032 1.00 0.00 N ATOM 34 CE2 TRP A 3 1.244 -10.642 -6.434 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.373 -9.289 -4.787 1.00 0.00 C ATOM 36 CZ2 TRP A 3 0.225 -9.685 -6.557 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.385 -8.300 -4.930 1.00 0.00 C ATOM 38 CH2 TRP A 3 0.305 -8.498 -5.808 1.00 0.00 C ATOM 0 H TRP A 3 6.353 -12.676 -2.695 1.00 0.00 H new ATOM 0 HA TRP A 3 4.544 -10.586 -3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 3 5.314 -11.193 -5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 3 4.907 -12.871 -5.369 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.066 -13.355 -6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 3 0.832 -12.303 -7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 3 3.166 -9.140 -4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.611 -9.858 -7.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.456 -7.384 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.460 -7.742 -5.907 1.00 0.00 H new ATOM 49 N GLU A 4 3.671 -12.005 -1.557 1.00 0.00 N ATOM 50 CA GLU A 4 2.928 -12.715 -0.533 1.00 0.00 C ATOM 51 C GLU A 4 2.118 -11.687 0.245 1.00 0.00 C ATOM 52 O GLU A 4 2.441 -10.494 0.228 1.00 0.00 O ATOM 53 CB GLU A 4 3.905 -13.490 0.358 1.00 0.00 C ATOM 54 CG GLU A 4 3.221 -14.426 1.364 1.00 0.00 C ATOM 55 CD GLU A 4 4.244 -15.315 2.064 1.00 0.00 C ATOM 56 OE1 GLU A 4 5.004 -14.763 2.891 1.00 0.00 O ATOM 57 OE2 GLU A 4 4.257 -16.526 1.748 1.00 0.00 O ATOM 0 H GLU A 4 3.952 -11.068 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 4 2.243 -13.446 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.571 -14.077 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.527 -12.779 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.679 -13.837 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.487 -15.046 0.849 1.00 0.00 H new ATOM 64 N ILE A 5 1.039 -12.154 0.879 1.00 0.00 N ATOM 65 CA ILE A 5 0.169 -11.325 1.689 1.00 0.00 C ATOM 66 C ILE A 5 0.900 -11.076 3.008 1.00 0.00 C ATOM 67 O ILE A 5 1.420 -12.015 3.607 1.00 0.00 O ATOM 68 CB ILE A 5 -1.207 -11.981 1.902 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.839 -12.565 0.621 1.00 0.00 C ATOM 70 CG2 ILE A 5 -2.186 -10.977 2.515 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.527 -14.052 0.405 1.00 0.00 C ATOM 0 H ILE A 5 0.749 -13.131 0.838 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.040 -10.380 1.188 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.023 -12.817 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.920 -12.432 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.484 -11.999 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.155 -11.455 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.803 -10.636 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.299 -10.124 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.003 -14.394 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.449 -14.190 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.907 -14.630 1.248 1.00 0.00 H new ATOM 83 N ILE A 6 0.961 -9.819 3.440 1.00 0.00 N ATOM 84 CA ILE A 6 1.621 -9.425 4.673 1.00 0.00 C ATOM 85 C ILE A 6 0.611 -9.423 5.817 1.00 0.00 C ATOM 86 O ILE A 6 -0.587 -9.249 5.598 1.00 0.00 O ATOM 87 CB ILE A 6 2.340 -8.074 4.515 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.407 -6.907 4.145 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.463 -8.215 3.480 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.086 -5.539 4.273 1.00 0.00 C ATOM 0 H ILE A 6 0.546 -9.037 2.933 1.00 0.00 H new ATOM 0 HA ILE A 6 2.396 -10.152 4.914 1.00 0.00 H new ATOM 0 HB ILE A 6 2.750 -7.819 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.056 -7.039 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.528 -6.933 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.975 -7.259 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.174 -8.970 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.039 -8.517 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.380 -4.755 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.413 -5.390 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.949 -5.498 3.609 1.00 0.00 H new ATOM 102 N ASP A 7 1.098 -9.626 7.042 1.00 0.00 N ATOM 103 CA ASP A 7 0.261 -9.658 8.225 1.00 0.00 C ATOM 104 C ASP A 7 -0.266 -8.263 8.501 1.00 0.00 C ATOM 105 O ASP A 7 0.514 -7.334 8.701 1.00 0.00 O ATOM 106 CB ASP A 7 1.054 -10.089 9.462 1.00 0.00 C ATOM 107 CG ASP A 7 1.671 -11.473 9.307 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.751 -11.540 8.682 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.048 -12.435 9.807 1.00 0.00 O ATOM 0 H ASP A 7 2.089 -9.773 7.234 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.544 -10.369 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.843 -9.362 9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.396 -10.083 10.331 1.00 0.00 H new ATOM 114 N ILE A 8 -1.582 -8.108 8.555 1.00 0.00 N ATOM 115 CA ILE A 8 -2.181 -6.926 9.109 1.00 0.00 C ATOM 116 C ILE A 8 -1.814 -6.884 10.602 1.00 0.00 C ATOM 117 O ILE A 8 -1.636 -7.923 11.236 1.00 0.00 O ATOM 118 CB ILE A 8 -3.684 -6.975 8.804 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.405 -8.180 9.440 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.879 -6.940 7.279 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.927 -8.075 9.311 1.00 0.00 C ATOM 0 H ILE A 8 -2.251 -8.799 8.216 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.817 -5.995 8.675 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.147 -6.101 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.064 -9.099 8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.135 -8.248 10.494 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.944 -6.974 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.450 -6.022 6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.382 -7.799 6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.392 -8.946 9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.273 -7.170 9.811 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.201 -8.034 8.257 1.00 0.00 H new ATOM 133 N GLY A 9 -1.632 -5.683 11.144 1.00 0.00 N ATOM 134 CA GLY A 9 -1.028 -5.432 12.441 1.00 0.00 C ATOM 135 C GLY A 9 -0.446 -4.014 12.430 1.00 0.00 C ATOM 136 O GLY A 9 -0.587 -3.314 11.421 1.00 0.00 O ATOM 0 H GLY A 9 -1.914 -4.826 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.771 -5.532 13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.245 -6.163 12.644 1.00 0.00 H new ATOM 140 N PRO A 10 0.210 -3.582 13.520 1.00 0.00 N ATOM 141 CA PRO A 10 0.611 -2.196 13.736 1.00 0.00 C ATOM 142 C PRO A 10 1.456 -1.624 12.595 1.00 0.00 C ATOM 143 O PRO A 10 1.183 -0.522 12.128 1.00 0.00 O ATOM 144 CB PRO A 10 1.331 -2.165 15.090 1.00 0.00 C ATOM 145 CG PRO A 10 1.684 -3.627 15.369 1.00 0.00 C ATOM 146 CD PRO A 10 0.565 -4.395 14.670 1.00 0.00 C ATOM 0 HA PRO A 10 -0.263 -1.545 13.749 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.224 -1.542 15.050 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.690 -1.755 15.871 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.663 -3.888 14.968 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.711 -3.838 16.438 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.899 -5.387 14.364 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.289 -4.536 15.332 1.00 0.00 H new ATOM 154 N PHE A 11 2.474 -2.355 12.136 1.00 0.00 N ATOM 155 CA PHE A 11 3.310 -1.943 11.014 1.00 0.00 C ATOM 156 C PHE A 11 2.457 -1.625 9.776 1.00 0.00 C ATOM 157 O PHE A 11 2.535 -0.548 9.184 1.00 0.00 O ATOM 158 CB PHE A 11 4.322 -3.060 10.721 1.00 0.00 C ATOM 159 CG PHE A 11 5.174 -2.830 9.489 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.288 -1.972 9.552 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.860 -3.483 8.281 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.108 -1.798 8.423 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.685 -3.313 7.155 1.00 0.00 C ATOM 164 CZ PHE A 11 6.814 -2.479 7.229 1.00 0.00 C ATOM 0 H PHE A 11 2.740 -3.254 12.537 1.00 0.00 H new ATOM 0 HA PHE A 11 3.844 -1.029 11.273 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.978 -3.174 11.584 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.783 -4.000 10.604 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.513 -1.447 10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.986 -4.114 8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.964 -1.141 8.473 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.451 -3.824 6.233 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.456 -2.361 6.368 1.00 0.00 H new ATOM 174 N THR A 12 1.627 -2.587 9.384 1.00 0.00 N ATOM 175 CA THR A 12 0.837 -2.515 8.171 1.00 0.00 C ATOM 176 C THR A 12 -0.195 -1.397 8.279 1.00 0.00 C ATOM 177 O THR A 12 -0.387 -0.627 7.337 1.00 0.00 O ATOM 178 CB THR A 12 0.241 -3.898 7.928 1.00 0.00 C ATOM 179 OG1 THR A 12 1.308 -4.818 8.049 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.399 -4.030 6.545 1.00 0.00 C ATOM 0 H THR A 12 1.486 -3.449 9.911 1.00 0.00 H new ATOM 0 HA THR A 12 1.443 -2.256 7.303 1.00 0.00 H new ATOM 0 HB THR A 12 -0.555 -4.084 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.954 -5.700 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.807 -5.034 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.201 -3.299 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.354 -3.852 5.777 1.00 0.00 H new ATOM 188 N GLN A 13 -0.822 -1.276 9.452 1.00 0.00 N ATOM 189 CA GLN A 13 -1.660 -0.144 9.781 1.00 0.00 C ATOM 190 C GLN A 13 -0.875 1.144 9.577 1.00 0.00 C ATOM 191 O GLN A 13 -1.325 1.990 8.819 1.00 0.00 O ATOM 192 CB GLN A 13 -2.168 -0.296 11.219 1.00 0.00 C ATOM 193 CG GLN A 13 -3.207 -1.417 11.354 1.00 0.00 C ATOM 194 CD GLN A 13 -3.452 -1.775 12.817 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.039 -2.831 13.285 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.123 -0.898 13.557 1.00 0.00 N ATOM 0 H GLN A 13 -0.756 -1.970 10.197 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.529 -0.103 9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.326 -0.503 11.880 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.608 0.646 11.548 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.144 -1.105 10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.864 -2.300 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.455 -0.028 13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.306 -1.095 14.541 1.00 0.00 H new ATOM 205 N ASN A 14 0.297 1.291 10.200 1.00 0.00 N ATOM 206 CA ASN A 14 1.104 2.501 10.084 1.00 0.00 C ATOM 207 C ASN A 14 1.290 2.897 8.620 1.00 0.00 C ATOM 208 O ASN A 14 1.025 4.040 8.259 1.00 0.00 O ATOM 209 CB ASN A 14 2.456 2.335 10.783 1.00 0.00 C ATOM 210 CG ASN A 14 3.259 3.629 10.706 1.00 0.00 C ATOM 211 OD1 ASN A 14 4.091 3.800 9.821 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.019 4.555 11.629 1.00 0.00 N ATOM 0 H ASN A 14 0.710 0.574 10.797 1.00 0.00 H new ATOM 0 HA ASN A 14 0.568 3.307 10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.301 2.057 11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.016 1.524 10.317 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.533 5.436 11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.321 4.385 12.353 1.00 0.00 H new ATOM 219 N LEU A 15 1.690 1.950 7.766 1.00 0.00 N ATOM 220 CA LEU A 15 1.843 2.238 6.341 1.00 0.00 C ATOM 221 C LEU A 15 0.506 2.655 5.716 1.00 0.00 C ATOM 222 O LEU A 15 0.416 3.686 5.048 1.00 0.00 O ATOM 223 CB LEU A 15 2.459 1.038 5.610 1.00 0.00 C ATOM 224 CG LEU A 15 3.941 0.814 5.956 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.394 -0.505 5.324 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.841 1.944 5.432 1.00 0.00 C ATOM 0 H LEU A 15 1.911 0.991 8.034 1.00 0.00 H new ATOM 0 HA LEU A 15 2.527 3.080 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.894 0.140 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.362 1.187 4.535 1.00 0.00 H new ATOM 0 HG LEU A 15 4.032 0.792 7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.444 -0.680 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.792 -1.323 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.269 -0.452 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.877 1.739 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.754 2.005 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.531 2.891 5.875 1.00 0.00 H new ATOM 238 N GLY A 16 -0.550 1.877 5.959 1.00 0.00 N ATOM 239 CA GLY A 16 -1.892 2.192 5.481 1.00 0.00 C ATOM 240 C GLY A 16 -2.401 3.546 5.991 1.00 0.00 C ATOM 241 O GLY A 16 -3.221 4.197 5.347 1.00 0.00 O ATOM 0 H GLY A 16 -0.496 1.010 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.893 2.196 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.579 1.408 5.798 1.00 0.00 H new ATOM 245 N LYS A 17 -1.922 3.977 7.157 1.00 0.00 N ATOM 246 CA LYS A 17 -2.350 5.180 7.830 1.00 0.00 C ATOM 247 C LYS A 17 -1.634 6.324 7.144 1.00 0.00 C ATOM 248 O LYS A 17 -2.262 7.267 6.684 1.00 0.00 O ATOM 249 CB LYS A 17 -1.994 5.109 9.325 1.00 0.00 C ATOM 250 CG LYS A 17 -2.990 5.864 10.202 1.00 0.00 C ATOM 251 CD LYS A 17 -3.159 7.303 9.710 1.00 0.00 C ATOM 252 CE LYS A 17 -3.984 8.161 10.675 1.00 0.00 C ATOM 253 NZ LYS A 17 -3.271 8.418 11.937 1.00 0.00 N ATOM 0 H LYS A 17 -1.199 3.472 7.669 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.430 5.314 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.959 4.065 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.996 5.521 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.953 5.354 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.644 5.866 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.176 7.755 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.642 7.295 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.228 9.110 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.928 7.660 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.777 9.147 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.225 7.541 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.307 8.748 11.730 1.00 0.00 H new ATOM 267 N PHE A 18 -0.311 6.205 7.050 1.00 0.00 N ATOM 268 CA PHE A 18 0.561 7.089 6.299 1.00 0.00 C ATOM 269 C PHE A 18 -0.008 7.358 4.906 1.00 0.00 C ATOM 270 O PHE A 18 -0.063 8.507 4.475 1.00 0.00 O ATOM 271 CB PHE A 18 1.967 6.475 6.258 1.00 0.00 C ATOM 272 CG PHE A 18 2.841 6.964 5.125 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.401 8.253 5.177 1.00 0.00 C ATOM 274 CD2 PHE A 18 3.004 6.169 3.973 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.174 8.722 4.102 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.772 6.642 2.898 1.00 0.00 C ATOM 277 CZ PHE A 18 4.378 7.907 2.976 1.00 0.00 C ATOM 0 H PHE A 18 0.199 5.455 7.518 1.00 0.00 H new ATOM 0 HA PHE A 18 0.627 8.060 6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.468 6.687 7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.873 5.392 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.237 8.880 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.538 5.196 3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.611 9.709 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.897 6.035 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.003 8.254 2.167 1.00 0.00 H new ATOM 287 N ALA A 19 -0.474 6.310 4.224 1.00 0.00 N ATOM 288 CA ALA A 19 -1.093 6.448 2.913 1.00 0.00 C ATOM 289 C ALA A 19 -2.242 7.456 2.966 1.00 0.00 C ATOM 290 O ALA A 19 -2.263 8.448 2.235 1.00 0.00 O ATOM 291 CB ALA A 19 -1.576 5.077 2.434 1.00 0.00 C ATOM 0 H ALA A 19 -0.432 5.350 4.566 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.359 6.827 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.040 5.177 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.728 4.396 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.305 4.681 3.141 1.00 0.00 H new ATOM 297 N VAL A 20 -3.189 7.202 3.868 1.00 0.00 N ATOM 298 CA VAL A 20 -4.349 8.067 4.056 1.00 0.00 C ATOM 299 C VAL A 20 -3.916 9.465 4.509 1.00 0.00 C ATOM 300 O VAL A 20 -4.479 10.459 4.066 1.00 0.00 O ATOM 301 CB VAL A 20 -5.350 7.424 5.033 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.498 8.387 5.370 1.00 0.00 C ATOM 303 CG2 VAL A 20 -5.955 6.165 4.400 1.00 0.00 C ATOM 0 H VAL A 20 -3.172 6.392 4.487 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.859 8.184 3.100 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.808 7.177 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.188 7.903 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.094 9.288 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.029 8.654 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.663 5.713 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.472 6.433 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.161 5.453 4.176 1.00 0.00 H new ATOM 313 N ASP A 21 -2.922 9.555 5.392 1.00 0.00 N ATOM 314 CA ASP A 21 -2.432 10.811 5.923 1.00 0.00 C ATOM 315 C ASP A 21 -1.883 11.670 4.788 1.00 0.00 C ATOM 316 O ASP A 21 -2.244 12.834 4.670 1.00 0.00 O ATOM 317 CB ASP A 21 -1.373 10.549 6.998 1.00 0.00 C ATOM 318 CG ASP A 21 -0.818 11.859 7.544 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.494 12.439 8.421 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.269 12.258 7.071 1.00 0.00 O ATOM 0 H ASP A 21 -2.432 8.740 5.760 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.251 11.356 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.809 9.968 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.563 9.953 6.579 1.00 0.00 H new ATOM 325 N GLU A 22 -1.036 11.086 3.941 1.00 0.00 N ATOM 326 CA GLU A 22 -0.464 11.740 2.777 1.00 0.00 C ATOM 327 C GLU A 22 -1.593 12.181 1.840 1.00 0.00 C ATOM 328 O GLU A 22 -1.654 13.340 1.424 1.00 0.00 O ATOM 329 CB GLU A 22 0.535 10.780 2.108 1.00 0.00 C ATOM 330 CG GLU A 22 1.382 11.465 1.029 1.00 0.00 C ATOM 331 CD GLU A 22 2.602 10.621 0.671 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.626 10.778 1.370 1.00 0.00 O ATOM 333 OE2 GLU A 22 2.494 9.822 -0.285 1.00 0.00 O ATOM 0 H GLU A 22 -0.724 10.121 4.053 1.00 0.00 H new ATOM 0 HA GLU A 22 0.086 12.638 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.193 10.359 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.010 9.948 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.777 11.631 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.704 12.444 1.383 1.00 0.00 H new ATOM 340 N GLU A 23 -2.513 11.259 1.539 1.00 0.00 N ATOM 341 CA GLU A 23 -3.658 11.533 0.685 1.00 0.00 C ATOM 342 C GLU A 23 -4.455 12.729 1.214 1.00 0.00 C ATOM 343 O GLU A 23 -4.813 13.624 0.449 1.00 0.00 O ATOM 344 CB GLU A 23 -4.532 10.280 0.597 1.00 0.00 C ATOM 345 CG GLU A 23 -5.662 10.476 -0.421 1.00 0.00 C ATOM 346 CD GLU A 23 -6.534 9.235 -0.547 1.00 0.00 C ATOM 347 OE1 GLU A 23 -6.554 8.465 0.432 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.160 9.087 -1.621 1.00 0.00 O ATOM 0 H GLU A 23 -2.478 10.300 1.885 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.310 11.792 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.921 9.424 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.954 10.055 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.278 11.324 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.236 10.721 -1.394 1.00 0.00 H new ATOM 355 N ASN A 24 -4.730 12.734 2.519 1.00 0.00 N ATOM 356 CA ASN A 24 -5.456 13.775 3.218 1.00 0.00 C ATOM 357 C ASN A 24 -4.660 15.076 3.204 1.00 0.00 C ATOM 358 O ASN A 24 -5.238 16.145 3.041 1.00 0.00 O ATOM 359 CB ASN A 24 -5.683 13.340 4.669 1.00 0.00 C ATOM 360 CG ASN A 24 -6.857 12.391 4.884 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.599 12.041 3.969 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.062 11.991 6.135 1.00 0.00 N ATOM 0 H ASN A 24 -4.437 11.977 3.137 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.412 13.938 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.776 12.859 5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.839 14.230 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.849 11.380 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.432 12.295 6.877 1.00 0.00 H new ATOM 369 N LYS A 25 -3.339 14.993 3.391 1.00 0.00 N ATOM 370 CA LYS A 25 -2.468 16.158 3.396 1.00 0.00 C ATOM 371 C LYS A 25 -2.606 16.895 2.064 1.00 0.00 C ATOM 372 O LYS A 25 -2.725 18.118 2.036 1.00 0.00 O ATOM 373 CB LYS A 25 -1.015 15.735 3.662 1.00 0.00 C ATOM 374 CG LYS A 25 -0.104 16.904 4.063 1.00 0.00 C ATOM 375 CD LYS A 25 -0.258 17.240 5.552 1.00 0.00 C ATOM 376 CE LYS A 25 0.682 18.384 5.942 1.00 0.00 C ATOM 377 NZ LYS A 25 0.628 18.648 7.390 1.00 0.00 N ATOM 0 H LYS A 25 -2.849 14.111 3.543 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.761 16.836 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.002 14.985 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.613 15.261 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.934 16.649 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.347 17.781 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.290 17.521 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.038 16.359 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.703 18.134 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.408 19.286 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.275 19.428 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.342 18.910 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.913 17.793 7.910 1.00 0.00 H new ATOM 391 N ILE A 26 -2.593 16.142 0.959 1.00 0.00 N ATOM 392 CA ILE A 26 -2.842 16.702 -0.365 1.00 0.00 C ATOM 393 C ILE A 26 -4.316 17.128 -0.473 1.00 0.00 C ATOM 394 O ILE A 26 -4.621 18.191 -1.011 1.00 0.00 O ATOM 395 CB ILE A 26 -2.432 15.693 -1.455 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.950 15.292 -1.317 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.668 16.302 -2.848 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.597 14.056 -2.152 1.00 0.00 C ATOM 0 H ILE A 26 -2.411 15.138 0.960 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.232 17.593 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.044 14.800 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.321 16.127 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.726 15.094 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.376 15.583 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.724 16.547 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.072 17.208 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.458 13.816 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.205 13.212 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.793 14.260 -3.205 1.00 0.00 H new ATOM 410 N GLY A 27 -5.229 16.293 0.029 1.00 0.00 N ATOM 411 CA GLY A 27 -6.659 16.557 0.104 1.00 0.00 C ATOM 412 C GLY A 27 -7.412 15.997 -1.100 1.00 0.00 C ATOM 413 O GLY A 27 -8.549 16.394 -1.355 1.00 0.00 O ATOM 0 H GLY A 27 -4.977 15.380 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.060 16.118 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.826 17.632 0.167 1.00 0.00 H new ATOM 417 N GLN A 28 -6.807 15.059 -1.838 1.00 0.00 N ATOM 418 CA GLN A 28 -7.358 14.573 -3.103 1.00 0.00 C ATOM 419 C GLN A 28 -8.756 13.980 -2.917 1.00 0.00 C ATOM 420 O GLN A 28 -9.634 14.179 -3.751 1.00 0.00 O ATOM 421 CB GLN A 28 -6.422 13.545 -3.748 1.00 0.00 C ATOM 422 CG GLN A 28 -5.024 14.123 -3.981 1.00 0.00 C ATOM 423 CD GLN A 28 -4.158 13.182 -4.810 1.00 0.00 C ATOM 424 OE1 GLN A 28 -3.640 12.196 -4.295 1.00 0.00 O ATOM 425 NE2 GLN A 28 -3.991 13.474 -6.096 1.00 0.00 N ATOM 0 H GLN A 28 -5.926 14.619 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.445 15.430 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.351 12.665 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.843 13.215 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.107 15.084 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.543 14.310 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.436 14.302 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.418 12.870 -6.686 1.00 0.00 H new ATOM 434 N TYR A 29 -8.947 13.256 -1.812 1.00 0.00 N ATOM 435 CA TYR A 29 -10.235 12.699 -1.411 1.00 0.00 C ATOM 436 C TYR A 29 -10.747 13.423 -0.160 1.00 0.00 C ATOM 437 O TYR A 29 -11.390 12.835 0.708 1.00 0.00 O ATOM 438 CB TYR A 29 -10.086 11.186 -1.206 1.00 0.00 C ATOM 439 CG TYR A 29 -10.358 10.363 -2.449 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.372 10.210 -3.439 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.624 9.768 -2.626 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.626 9.419 -4.573 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.887 9.003 -3.773 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.885 8.811 -4.735 1.00 0.00 C ATOM 445 OH TYR A 29 -11.135 8.023 -5.818 1.00 0.00 O ATOM 0 H TYR A 29 -8.194 13.038 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.981 12.852 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.075 10.975 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.767 10.868 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.417 10.701 -3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.392 9.901 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.857 9.278 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.862 8.562 -3.915 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.053 7.683 -5.770 1.00 0.00 H new ATOM 455 N GLY A 30 -10.468 14.721 -0.061 1.00 0.00 N ATOM 456 CA GLY A 30 -10.831 15.492 1.112 1.00 0.00 C ATOM 457 C GLY A 30 -10.114 14.939 2.341 1.00 0.00 C ATOM 458 O GLY A 30 -8.901 14.747 2.318 1.00 0.00 O ATOM 0 H GLY A 30 -9.990 15.257 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.565 16.539 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.910 15.455 1.263 1.00 0.00 H new ATOM 462 N ARG A 31 -10.875 14.703 3.410 1.00 0.00 N ATOM 463 CA ARG A 31 -10.374 14.315 4.720 1.00 0.00 C ATOM 464 C ARG A 31 -10.958 12.952 5.102 1.00 0.00 C ATOM 465 O ARG A 31 -11.973 12.875 5.791 1.00 0.00 O ATOM 466 CB ARG A 31 -10.751 15.428 5.708 1.00 0.00 C ATOM 467 CG ARG A 31 -10.139 15.224 7.097 1.00 0.00 C ATOM 468 CD ARG A 31 -10.429 16.458 7.958 1.00 0.00 C ATOM 469 NE ARG A 31 -9.860 16.313 9.302 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.860 17.280 10.230 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.411 18.471 9.967 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.305 17.048 11.424 1.00 0.00 N ATOM 0 H ARG A 31 -11.892 14.781 3.382 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.290 14.202 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.422 16.388 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.836 15.475 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.557 14.332 7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.064 15.067 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.014 17.345 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.506 16.609 8.031 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.437 15.418 9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.834 18.647 9.056 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.408 19.203 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.885 16.140 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.301 17.779 12.135 1.00 0.00 H new ATOM 486 N LEU A 32 -10.327 11.866 4.650 1.00 0.00 N ATOM 487 CA LEU A 32 -10.783 10.517 4.955 1.00 0.00 C ATOM 488 C LEU A 32 -10.389 10.144 6.384 1.00 0.00 C ATOM 489 O LEU A 32 -9.279 10.435 6.824 1.00 0.00 O ATOM 490 CB LEU A 32 -10.176 9.512 3.973 1.00 0.00 C ATOM 491 CG LEU A 32 -10.495 9.783 2.496 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.811 8.694 1.664 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.004 9.759 2.223 1.00 0.00 C ATOM 0 H LEU A 32 -9.491 11.901 4.066 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.869 10.488 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.094 9.508 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.531 8.514 4.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.133 10.776 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.019 8.859 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.735 8.730 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.192 7.717 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.186 9.955 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.406 8.780 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.495 10.525 2.824 1.00 0.00 H new ATOM 505 N THR A 33 -11.283 9.465 7.103 1.00 0.00 N ATOM 506 CA THR A 33 -11.033 9.005 8.462 1.00 0.00 C ATOM 507 C THR A 33 -10.597 7.543 8.398 1.00 0.00 C ATOM 508 O THR A 33 -11.447 6.655 8.345 1.00 0.00 O ATOM 509 CB THR A 33 -12.303 9.199 9.306 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.693 10.557 9.253 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.073 8.830 10.775 1.00 0.00 C ATOM 0 H THR A 33 -12.208 9.218 6.752 1.00 0.00 H new ATOM 0 HA THR A 33 -10.238 9.580 8.937 1.00 0.00 H new ATOM 0 HB THR A 33 -13.074 8.546 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.504 10.686 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.995 8.981 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.773 7.784 10.845 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.287 9.461 11.190 1.00 0.00 H new ATOM 519 N PHE A 34 -9.283 7.291 8.374 1.00 0.00 N ATOM 520 CA PHE A 34 -8.736 5.938 8.447 1.00 0.00 C ATOM 521 C PHE A 34 -9.388 5.167 9.591 1.00 0.00 C ATOM 522 O PHE A 34 -9.536 5.696 10.692 1.00 0.00 O ATOM 523 CB PHE A 34 -7.215 5.983 8.636 1.00 0.00 C ATOM 524 CG PHE A 34 -6.545 4.652 8.939 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.489 4.178 10.266 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.894 3.934 7.919 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.775 3.006 10.568 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.172 2.767 8.224 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.096 2.314 9.551 1.00 0.00 C ATOM 0 H PHE A 34 -8.573 8.020 8.304 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.953 5.426 7.510 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.768 6.396 7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.989 6.675 9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.996 4.717 11.052 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.949 4.281 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.748 2.637 11.583 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.675 2.218 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.516 1.435 9.790 1.00 0.00 H new ATOM 539 N ASN A 35 -9.764 3.920 9.314 1.00 0.00 N ATOM 540 CA ASN A 35 -10.338 3.005 10.290 1.00 0.00 C ATOM 541 C ASN A 35 -9.320 1.916 10.612 1.00 0.00 C ATOM 542 O ASN A 35 -8.871 1.801 11.750 1.00 0.00 O ATOM 543 CB ASN A 35 -11.653 2.422 9.749 1.00 0.00 C ATOM 544 CG ASN A 35 -12.708 2.281 10.841 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.094 1.177 11.205 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.199 3.400 11.362 1.00 0.00 N ATOM 0 H ASN A 35 -9.675 3.512 8.384 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.573 3.534 11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.036 3.065 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.460 1.446 9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.917 3.354 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.858 4.305 11.039 1.00 0.00 H new ATOM 553 N LYS A 36 -8.951 1.125 9.601 1.00 0.00 N ATOM 554 CA LYS A 36 -7.958 0.060 9.703 1.00 0.00 C ATOM 555 C LYS A 36 -7.613 -0.433 8.299 1.00 0.00 C ATOM 556 O LYS A 36 -8.201 0.034 7.328 1.00 0.00 O ATOM 557 CB LYS A 36 -8.447 -1.088 10.607 1.00 0.00 C ATOM 558 CG LYS A 36 -9.791 -1.696 10.172 1.00 0.00 C ATOM 559 CD LYS A 36 -10.875 -1.406 11.217 1.00 0.00 C ATOM 560 CE LYS A 36 -12.224 -1.984 10.778 1.00 0.00 C ATOM 561 NZ LYS A 36 -13.287 -1.619 11.731 1.00 0.00 N ATOM 0 H LYS A 36 -9.347 1.213 8.665 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.057 0.455 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.692 -1.874 10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.540 -0.718 11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.088 -1.284 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.684 -2.773 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.586 -1.835 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.966 -0.330 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.477 -1.613 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.153 -3.069 10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.177 -2.077 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.021 -1.935 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.414 -0.587 11.731 1.00 0.00 H new ATOM 575 N VAL A 37 -6.690 -1.389 8.187 1.00 0.00 N ATOM 576 CA VAL A 37 -6.360 -2.085 6.953 1.00 0.00 C ATOM 577 C VAL A 37 -6.742 -3.552 7.084 1.00 0.00 C ATOM 578 O VAL A 37 -6.594 -4.125 8.163 1.00 0.00 O ATOM 579 CB VAL A 37 -4.869 -1.888 6.657 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.945 -2.477 7.731 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.481 -2.451 5.287 1.00 0.00 C ATOM 0 H VAL A 37 -6.136 -1.707 8.982 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.922 -1.680 6.111 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.725 -0.808 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.906 -2.300 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.151 -2.001 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.121 -3.550 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.416 -2.291 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.697 -3.519 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.053 -1.944 4.510 1.00 0.00 H new ATOM 591 N ILE A 38 -7.236 -4.147 5.995 1.00 0.00 N ATOM 592 CA ILE A 38 -7.566 -5.565 5.923 1.00 0.00 C ATOM 593 C ILE A 38 -7.111 -6.125 4.570 1.00 0.00 C ATOM 594 O ILE A 38 -6.651 -5.374 3.713 1.00 0.00 O ATOM 595 CB ILE A 38 -9.048 -5.828 6.273 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.074 -5.047 5.435 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.313 -5.515 7.753 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.241 -5.613 4.026 1.00 0.00 C ATOM 0 H ILE A 38 -7.419 -3.645 5.126 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.017 -6.116 6.687 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.191 -6.884 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.038 -5.061 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.764 -4.004 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.361 -5.705 7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.683 -6.149 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.083 -4.468 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.977 -5.022 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.286 -5.574 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.580 -6.647 4.087 1.00 0.00 H new ATOM 610 N ARG A 39 -7.178 -7.448 4.400 1.00 0.00 N ATOM 611 CA ARG A 39 -6.686 -8.125 3.207 1.00 0.00 C ATOM 612 C ARG A 39 -7.588 -7.849 1.987 1.00 0.00 C ATOM 613 O ARG A 39 -8.789 -7.657 2.169 1.00 0.00 O ATOM 614 CB ARG A 39 -6.506 -9.629 3.478 1.00 0.00 C ATOM 615 CG ARG A 39 -7.705 -10.350 4.118 1.00 0.00 C ATOM 616 CD ARG A 39 -7.643 -10.413 5.656 1.00 0.00 C ATOM 617 NE ARG A 39 -8.281 -11.631 6.173 1.00 0.00 N ATOM 618 CZ ARG A 39 -7.726 -12.854 6.164 1.00 0.00 C ATOM 619 NH1 ARG A 39 -6.526 -13.049 5.607 1.00 0.00 N ATOM 620 NH2 ARG A 39 -8.382 -13.880 6.715 1.00 0.00 N ATOM 0 H ARG A 39 -7.579 -8.080 5.093 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.705 -7.719 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.273 -10.122 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.641 -9.759 4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.623 -9.843 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.760 -11.365 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.603 -10.380 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.136 -9.537 6.077 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.217 -11.541 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.026 -12.266 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.111 -13.981 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.298 -13.731 7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.967 -14.812 6.712 1.00 0.00 H new ATOM 634 N PRO A 40 -7.067 -7.864 0.744 1.00 0.00 N ATOM 635 CA PRO A 40 -5.681 -8.122 0.365 1.00 0.00 C ATOM 636 C PRO A 40 -4.755 -6.982 0.799 1.00 0.00 C ATOM 637 O PRO A 40 -5.205 -5.884 1.118 1.00 0.00 O ATOM 638 CB PRO A 40 -5.691 -8.335 -1.151 1.00 0.00 C ATOM 639 CG PRO A 40 -6.886 -7.502 -1.601 1.00 0.00 C ATOM 640 CD PRO A 40 -7.875 -7.658 -0.445 1.00 0.00 C ATOM 0 HA PRO A 40 -5.285 -9.004 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.764 -7.995 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.810 -9.387 -1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.613 -6.459 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.302 -7.869 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.500 -6.771 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.544 -8.502 -0.614 1.00 0.00 H new ATOM 648 N CYS A 41 -3.459 -7.292 0.858 1.00 0.00 N ATOM 649 CA CYS A 41 -2.418 -6.553 1.522 1.00 0.00 C ATOM 650 C CYS A 41 -1.156 -7.322 1.196 1.00 0.00 C ATOM 651 O CYS A 41 -0.704 -8.150 1.977 1.00 0.00 O ATOM 652 CB CYS A 41 -2.703 -6.430 3.017 1.00 0.00 C ATOM 653 SG CYS A 41 -2.981 -7.990 3.898 1.00 0.00 S ATOM 0 H CYS A 41 -3.097 -8.131 0.405 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.334 -5.518 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.865 -5.914 3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.581 -5.798 3.150 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.895 -8.335 4.523 1.00 0.00 H new ATOM 659 N MET A 42 -0.670 -7.128 -0.028 1.00 0.00 N ATOM 660 CA MET A 42 0.334 -7.967 -0.654 1.00 0.00 C ATOM 661 C MET A 42 1.538 -7.111 -1.034 1.00 0.00 C ATOM 662 O MET A 42 1.350 -6.009 -1.559 1.00 0.00 O ATOM 663 CB MET A 42 -0.338 -8.662 -1.850 1.00 0.00 C ATOM 664 CG MET A 42 0.234 -10.052 -2.132 1.00 0.00 C ATOM 665 SD MET A 42 -0.664 -10.983 -3.412 1.00 0.00 S ATOM 666 CE MET A 42 0.212 -12.557 -3.333 1.00 0.00 C ATOM 0 H MET A 42 -0.977 -6.359 -0.624 1.00 0.00 H new ATOM 0 HA MET A 42 0.716 -8.739 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.408 -8.747 -1.659 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.221 -8.040 -2.737 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.275 -9.949 -2.437 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.228 -10.629 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.271 -13.276 -3.995 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.246 -12.414 -3.646 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.191 -12.934 -2.311 1.00 0.00 H new ATOM 676 N LYS A 43 2.755 -7.592 -0.730 1.00 0.00 N ATOM 677 CA LYS A 43 3.967 -6.815 -1.039 1.00 0.00 C ATOM 678 C LYS A 43 4.676 -7.373 -2.268 1.00 0.00 C ATOM 679 O LYS A 43 4.802 -8.590 -2.357 1.00 0.00 O ATOM 680 CB LYS A 43 4.919 -6.738 0.167 1.00 0.00 C ATOM 681 CG LYS A 43 5.829 -7.960 0.352 1.00 0.00 C ATOM 682 CD LYS A 43 6.732 -7.755 1.573 1.00 0.00 C ATOM 683 CE LYS A 43 7.755 -8.890 1.692 1.00 0.00 C ATOM 684 NZ LYS A 43 8.655 -8.673 2.838 1.00 0.00 N ATOM 0 H LYS A 43 2.925 -8.492 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 43 3.652 -5.796 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.544 -5.851 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.326 -6.605 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.225 -8.858 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.437 -8.111 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.250 -6.800 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.124 -7.711 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.236 -9.841 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.339 -8.956 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.338 -9.455 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.166 -7.776 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.097 -8.634 3.715 1.00 0.00 H new ATOM 698 N LYS A 44 5.176 -6.519 -3.172 1.00 0.00 N ATOM 699 CA LYS A 44 5.943 -6.944 -4.341 1.00 0.00 C ATOM 700 C LYS A 44 7.193 -6.086 -4.532 1.00 0.00 C ATOM 701 O LYS A 44 7.169 -4.893 -4.250 1.00 0.00 O ATOM 702 CB LYS A 44 5.049 -6.919 -5.587 1.00 0.00 C ATOM 703 CG LYS A 44 5.628 -7.753 -6.737 1.00 0.00 C ATOM 704 CD LYS A 44 4.547 -8.027 -7.792 1.00 0.00 C ATOM 705 CE LYS A 44 5.087 -8.872 -8.952 1.00 0.00 C ATOM 706 NZ LYS A 44 6.126 -8.157 -9.716 1.00 0.00 N ATOM 0 H LYS A 44 5.056 -5.508 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 44 6.284 -7.967 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.060 -7.297 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.920 -5.889 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.465 -7.225 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.017 -8.695 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.707 -8.543 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.167 -7.081 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.499 -9.803 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.267 -9.141 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.356 -8.694 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.776 -7.214 -9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.980 -8.057 -9.131 1.00 0.00 H new ATOM 720 N THR A 45 8.284 -6.684 -5.018 1.00 0.00 N ATOM 721 CA THR A 45 9.499 -5.953 -5.370 1.00 0.00 C ATOM 722 C THR A 45 9.287 -5.189 -6.675 1.00 0.00 C ATOM 723 O THR A 45 8.700 -5.727 -7.613 1.00 0.00 O ATOM 724 CB THR A 45 10.693 -6.914 -5.477 1.00 0.00 C ATOM 725 OG1 THR A 45 10.815 -7.631 -4.268 1.00 0.00 O ATOM 726 CG2 THR A 45 12.011 -6.169 -5.717 1.00 0.00 C ATOM 0 H THR A 45 8.347 -7.689 -5.178 1.00 0.00 H new ATOM 0 HA THR A 45 9.722 -5.233 -4.583 1.00 0.00 H new ATOM 0 HB THR A 45 10.507 -7.576 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.427 -8.386 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.828 -6.888 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.945 -5.604 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.198 -5.485 -4.889 1.00 0.00 H new ATOM 734 N ILE A 46 9.791 -3.952 -6.735 1.00 0.00 N ATOM 735 CA ILE A 46 9.779 -3.105 -7.917 1.00 0.00 C ATOM 736 C ILE A 46 11.218 -2.888 -8.398 1.00 0.00 C ATOM 737 O ILE A 46 12.107 -2.488 -7.638 1.00 0.00 O ATOM 738 CB ILE A 46 8.966 -1.821 -7.651 1.00 0.00 C ATOM 739 CG1 ILE A 46 7.719 -1.759 -8.552 1.00 0.00 C ATOM 740 CG2 ILE A 46 9.757 -0.514 -7.818 1.00 0.00 C ATOM 741 CD1 ILE A 46 6.724 -2.892 -8.267 1.00 0.00 C ATOM 0 H ILE A 46 10.232 -3.504 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 46 9.261 -3.588 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 46 8.685 -1.892 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.221 -0.800 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.028 -1.807 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.105 0.335 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.596 -0.505 -7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.132 -0.443 -8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.865 -2.798 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.209 -3.853 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.390 -2.831 -7.231 1.00 0.00 H new ATOM 753 N TYR A 47 11.445 -3.195 -9.676 1.00 0.00 N ATOM 754 CA TYR A 47 12.740 -3.095 -10.315 1.00 0.00 C ATOM 755 C TYR A 47 12.583 -2.540 -11.720 1.00 0.00 C ATOM 756 O TYR A 47 11.551 -2.749 -12.357 1.00 0.00 O ATOM 757 CB TYR A 47 13.407 -4.471 -10.343 1.00 0.00 C ATOM 758 CG TYR A 47 12.628 -5.589 -10.998 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.738 -5.790 -12.385 1.00 0.00 C ATOM 760 CD2 TYR A 47 11.983 -6.550 -10.200 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.245 -6.970 -12.965 1.00 0.00 C ATOM 762 CE2 TYR A 47 11.481 -7.725 -10.781 1.00 0.00 C ATOM 763 CZ TYR A 47 11.612 -7.935 -12.166 1.00 0.00 C ATOM 764 OH TYR A 47 11.154 -9.086 -12.734 1.00 0.00 O ATOM 0 H TYR A 47 10.711 -3.527 -10.302 1.00 0.00 H new ATOM 0 HA TYR A 47 13.374 -2.414 -9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 47 14.363 -4.375 -10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.625 -4.764 -9.316 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.202 -5.037 -13.005 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.874 -6.384 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.353 -7.135 -14.027 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.995 -8.467 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 47 10.743 -9.649 -12.046 1.00 0.00 H new ATOM 774 N GLU A 48 13.617 -1.845 -12.190 1.00 0.00 N ATOM 775 CA GLU A 48 13.730 -1.282 -13.518 1.00 0.00 C ATOM 776 C GLU A 48 15.114 -0.655 -13.626 1.00 0.00 C ATOM 777 O GLU A 48 15.843 -0.544 -12.640 1.00 0.00 O ATOM 778 CB GLU A 48 12.655 -0.213 -13.781 1.00 0.00 C ATOM 779 CG GLU A 48 12.050 -0.350 -15.184 1.00 0.00 C ATOM 780 CD GLU A 48 11.068 0.780 -15.478 1.00 0.00 C ATOM 781 OE1 GLU A 48 9.992 0.781 -14.842 1.00 0.00 O ATOM 782 OE2 GLU A 48 11.421 1.628 -16.327 1.00 0.00 O ATOM 0 H GLU A 48 14.439 -1.654 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 48 13.585 -2.068 -14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.866 -0.299 -13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.093 0.779 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.847 -0.345 -15.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.540 -1.309 -15.270 1.00 0.00 H new ATOM 789 N ASN A 49 15.445 -0.212 -14.824 1.00 0.00 N ATOM 790 CA ASN A 49 16.606 0.611 -15.118 1.00 0.00 C ATOM 791 C ASN A 49 16.285 1.497 -16.315 1.00 0.00 C ATOM 792 O ASN A 49 16.216 2.713 -16.174 1.00 0.00 O ATOM 793 CB ASN A 49 17.842 -0.260 -15.379 1.00 0.00 C ATOM 794 CG ASN A 49 19.032 0.591 -15.802 1.00 0.00 C ATOM 795 OD1 ASN A 49 19.353 0.670 -16.981 1.00 0.00 O ATOM 796 ND2 ASN A 49 19.696 1.235 -14.846 1.00 0.00 N ATOM 0 H ASN A 49 14.891 -0.424 -15.654 1.00 0.00 H new ATOM 0 HA ASN A 49 16.839 1.241 -14.259 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.093 -0.820 -14.478 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.619 -0.991 -16.156 1.00 0.00 H new ATOM 0 HD21 ASN A 49 20.499 1.816 -15.086 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.402 1.148 -13.873 1.00 0.00 H new ATOM 803 N GLU A 50 16.076 0.876 -17.480 1.00 0.00 N ATOM 804 CA GLU A 50 15.846 1.549 -18.755 1.00 0.00 C ATOM 805 C GLU A 50 15.539 0.445 -19.757 1.00 0.00 C ATOM 806 O GLU A 50 16.446 0.004 -20.491 1.00 0.00 O ATOM 807 CB GLU A 50 17.091 2.359 -19.150 1.00 0.00 C ATOM 808 CG GLU A 50 16.919 3.167 -20.444 1.00 0.00 C ATOM 809 CD GLU A 50 15.848 4.245 -20.310 1.00 0.00 C ATOM 810 OE1 GLU A 50 16.205 5.350 -19.844 1.00 0.00 O ATOM 811 OE2 GLU A 50 14.689 3.941 -20.668 1.00 0.00 O ATOM 0 H GLU A 50 16.062 -0.141 -17.560 1.00 0.00 H new ATOM 0 HA GLU A 50 15.021 2.259 -18.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.342 3.041 -18.338 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.934 1.678 -19.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.869 3.631 -20.710 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.654 2.493 -21.259 1.00 0.00 H new ATOM 818 N GLY A 51 14.336 -0.095 -19.734 1.00 0.00 N ATOM 819 CA GLY A 51 14.008 -1.348 -20.412 1.00 0.00 C ATOM 820 C GLY A 51 14.610 -2.505 -19.611 1.00 0.00 C ATOM 821 O GLY A 51 13.884 -3.367 -19.101 1.00 0.00 O ATOM 0 H GLY A 51 13.547 0.323 -19.241 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.927 -1.464 -20.491 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.404 -1.344 -21.428 1.00 0.00 H new ATOM 825 N PHE A 52 15.928 -2.498 -19.469 1.00 0.00 N ATOM 826 CA PHE A 52 16.679 -3.339 -18.552 1.00 0.00 C ATOM 827 C PHE A 52 16.209 -3.127 -17.108 1.00 0.00 C ATOM 828 O PHE A 52 15.500 -2.156 -16.810 1.00 0.00 O ATOM 829 CB PHE A 52 18.173 -3.013 -18.670 1.00 0.00 C ATOM 830 CG PHE A 52 18.778 -3.389 -20.011 1.00 0.00 C ATOM 831 CD1 PHE A 52 19.169 -4.721 -20.248 1.00 0.00 C ATOM 832 CD2 PHE A 52 18.929 -2.423 -21.020 1.00 0.00 C ATOM 833 CE1 PHE A 52 19.727 -5.078 -21.491 1.00 0.00 C ATOM 834 CE2 PHE A 52 19.480 -2.782 -22.265 1.00 0.00 C ATOM 835 CZ PHE A 52 19.881 -4.109 -22.496 1.00 0.00 C ATOM 0 H PHE A 52 16.528 -1.879 -20.014 1.00 0.00 H new ATOM 0 HA PHE A 52 16.510 -4.383 -18.815 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.317 -1.945 -18.504 1.00 0.00 H new ATOM 0 HB3 PHE A 52 18.713 -3.534 -17.879 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.041 -5.467 -19.478 1.00 0.00 H new ATOM 0 HD2 PHE A 52 18.622 -1.403 -20.840 1.00 0.00 H new ATOM 0 HE1 PHE A 52 20.036 -6.097 -21.671 1.00 0.00 H new ATOM 0 HE2 PHE A 52 19.594 -2.039 -23.041 1.00 0.00 H new ATOM 0 HZ PHE A 52 20.309 -4.384 -23.449 1.00 0.00 H new ATOM 845 N ARG A 53 16.604 -4.042 -16.231 1.00 0.00 N ATOM 846 CA ARG A 53 16.141 -4.179 -14.848 1.00 0.00 C ATOM 847 C ARG A 53 17.245 -3.780 -13.869 1.00 0.00 C ATOM 848 O ARG A 53 18.415 -3.815 -14.222 1.00 0.00 O ATOM 849 CB ARG A 53 15.746 -5.649 -14.593 1.00 0.00 C ATOM 850 CG ARG A 53 16.871 -6.641 -14.944 1.00 0.00 C ATOM 851 CD ARG A 53 16.586 -8.057 -14.434 1.00 0.00 C ATOM 852 NE ARG A 53 17.771 -8.914 -14.596 1.00 0.00 N ATOM 853 CZ ARG A 53 18.224 -9.414 -15.757 1.00 0.00 C ATOM 854 NH1 ARG A 53 17.526 -9.255 -16.888 1.00 0.00 N ATOM 855 NH2 ARG A 53 19.390 -10.067 -15.782 1.00 0.00 N ATOM 0 H ARG A 53 17.295 -4.751 -16.476 1.00 0.00 H new ATOM 0 HA ARG A 53 15.283 -3.524 -14.696 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.475 -5.771 -13.544 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.860 -5.889 -15.181 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.003 -6.668 -16.026 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.809 -6.287 -14.517 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.298 -8.020 -13.383 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.745 -8.484 -14.980 1.00 0.00 H new ATOM 0 HE ARG A 53 18.294 -9.149 -13.753 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.640 -8.750 -16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.880 -9.639 -17.764 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.928 -10.182 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.741 -10.450 -16.660 1.00 0.00 H new ATOM 869 N GLU A 54 16.849 -3.470 -12.624 1.00 0.00 N ATOM 870 CA GLU A 54 17.693 -3.305 -11.447 1.00 0.00 C ATOM 871 C GLU A 54 16.733 -3.096 -10.267 1.00 0.00 C ATOM 872 O GLU A 54 15.718 -2.425 -10.437 1.00 0.00 O ATOM 873 CB GLU A 54 18.664 -2.115 -11.591 1.00 0.00 C ATOM 874 CG GLU A 54 20.046 -2.405 -10.987 1.00 0.00 C ATOM 875 CD GLU A 54 20.006 -2.650 -9.482 1.00 0.00 C ATOM 876 OE1 GLU A 54 19.743 -3.813 -9.104 1.00 0.00 O ATOM 877 OE2 GLU A 54 20.235 -1.671 -8.739 1.00 0.00 O ATOM 0 H GLU A 54 15.864 -3.320 -12.407 1.00 0.00 H new ATOM 0 HA GLU A 54 18.326 -4.180 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.777 -1.869 -12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.235 -1.239 -11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.474 -3.278 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.709 -1.565 -11.194 1.00 0.00 H new ATOM 884 N ILE A 55 16.991 -3.687 -9.100 1.00 0.00 N ATOM 885 CA ILE A 55 16.144 -3.503 -7.924 1.00 0.00 C ATOM 886 C ILE A 55 16.159 -2.026 -7.520 1.00 0.00 C ATOM 887 O ILE A 55 17.236 -1.460 -7.340 1.00 0.00 O ATOM 888 CB ILE A 55 16.603 -4.434 -6.786 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.438 -5.904 -7.223 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.798 -4.160 -5.505 1.00 0.00 C ATOM 891 CD1 ILE A 55 17.105 -6.894 -6.262 1.00 0.00 C ATOM 0 H ILE A 55 17.789 -4.303 -8.945 1.00 0.00 H new ATOM 0 HA ILE A 55 15.114 -3.775 -8.153 1.00 0.00 H new ATOM 0 HB ILE A 55 17.654 -4.241 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.376 -6.138 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.863 -6.031 -8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.137 -4.827 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.947 -3.125 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.739 -4.333 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.954 -7.911 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.173 -6.684 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.663 -6.793 -5.271 1.00 0.00 H new ATOM 903 N LYS A 56 14.981 -1.403 -7.406 1.00 0.00 N ATOM 904 CA LYS A 56 14.853 0.009 -7.058 1.00 0.00 C ATOM 905 C LYS A 56 14.004 0.201 -5.803 1.00 0.00 C ATOM 906 O LYS A 56 14.268 1.122 -5.026 1.00 0.00 O ATOM 907 CB LYS A 56 14.291 0.801 -8.247 1.00 0.00 C ATOM 908 CG LYS A 56 15.350 0.925 -9.352 1.00 0.00 C ATOM 909 CD LYS A 56 14.842 1.648 -10.605 1.00 0.00 C ATOM 910 CE LYS A 56 14.472 3.111 -10.339 1.00 0.00 C ATOM 911 NZ LYS A 56 14.183 3.821 -11.597 1.00 0.00 N ATOM 0 H LYS A 56 14.087 -1.871 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 56 15.846 0.397 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.404 0.303 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.981 1.793 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.214 1.460 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.692 -0.072 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.609 1.607 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.970 1.122 -10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.602 3.156 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.290 3.607 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.935 4.809 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.023 3.796 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.387 3.359 -12.081 1.00 0.00 H new ATOM 925 N GLY A 57 12.986 -0.630 -5.578 1.00 0.00 N ATOM 926 CA GLY A 57 12.107 -0.427 -4.442 1.00 0.00 C ATOM 927 C GLY A 57 11.140 -1.586 -4.272 1.00 0.00 C ATOM 928 O GLY A 57 11.369 -2.676 -4.796 1.00 0.00 O ATOM 0 H GLY A 57 12.757 -1.435 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.702 -0.313 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.547 0.499 -4.575 1.00 0.00 H new ATOM 932 N TYR A 58 10.048 -1.342 -3.552 1.00 0.00 N ATOM 933 CA TYR A 58 8.953 -2.277 -3.370 1.00 0.00 C ATOM 934 C TYR A 58 7.644 -1.517 -3.539 1.00 0.00 C ATOM 935 O TYR A 58 7.632 -0.283 -3.476 1.00 0.00 O ATOM 936 CB TYR A 58 9.026 -2.920 -1.979 1.00 0.00 C ATOM 937 CG TYR A 58 10.408 -3.387 -1.562 1.00 0.00 C ATOM 938 CD1 TYR A 58 10.903 -4.637 -1.984 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.248 -2.516 -0.847 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.256 -4.962 -1.778 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.591 -2.852 -0.614 1.00 0.00 C ATOM 942 CZ TYR A 58 13.103 -4.066 -1.110 1.00 0.00 C ATOM 943 OH TYR A 58 14.416 -4.384 -0.924 1.00 0.00 O ATOM 0 H TYR A 58 9.901 -0.458 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 58 9.016 -3.076 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.664 -2.202 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.347 -3.772 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.244 -5.345 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.857 -1.581 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 58 12.644 -5.905 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.229 -2.182 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 58 14.934 -3.564 -0.782 1.00 0.00 H new ATOM 953 N GLU A 59 6.555 -2.254 -3.735 1.00 0.00 N ATOM 954 CA GLU A 59 5.186 -1.766 -3.712 1.00 0.00 C ATOM 955 C GLU A 59 4.410 -2.588 -2.695 1.00 0.00 C ATOM 956 O GLU A 59 4.649 -3.790 -2.561 1.00 0.00 O ATOM 957 CB GLU A 59 4.525 -1.860 -5.092 1.00 0.00 C ATOM 958 CG GLU A 59 5.004 -0.731 -6.012 1.00 0.00 C ATOM 959 CD GLU A 59 4.300 -0.733 -7.370 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.376 -1.556 -7.548 1.00 0.00 O ATOM 961 OE2 GLU A 59 4.710 0.091 -8.215 1.00 0.00 O ATOM 0 H GLU A 59 6.609 -3.255 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 59 5.186 -0.712 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.756 -2.824 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.442 -1.810 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.834 0.228 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.079 -0.825 -6.165 1.00 0.00 H new ATOM 968 N TYR A 60 3.494 -1.930 -1.990 1.00 0.00 N ATOM 969 CA TYR A 60 2.615 -2.506 -0.996 1.00 0.00 C ATOM 970 C TYR A 60 1.201 -2.155 -1.448 1.00 0.00 C ATOM 971 O TYR A 60 0.838 -0.977 -1.451 1.00 0.00 O ATOM 972 CB TYR A 60 2.927 -1.911 0.385 1.00 0.00 C ATOM 973 CG TYR A 60 4.395 -1.832 0.770 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.251 -2.921 0.531 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.900 -0.680 1.402 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.610 -2.845 0.875 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.250 -0.619 1.787 1.00 0.00 C ATOM 978 CZ TYR A 60 7.110 -1.696 1.508 1.00 0.00 C ATOM 979 OH TYR A 60 8.426 -1.641 1.858 1.00 0.00 O ATOM 0 H TYR A 60 3.343 -0.928 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 60 2.738 -3.585 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.508 -0.906 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.408 -2.504 1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.861 -3.822 0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.248 0.160 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.270 -3.670 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.627 0.255 2.297 1.00 0.00 H new ATOM 0 HH TYR A 60 8.615 -0.780 2.285 1.00 0.00 H new ATOM 989 N GLN A 61 0.432 -3.164 -1.856 1.00 0.00 N ATOM 990 CA GLN A 61 -0.935 -3.011 -2.335 1.00 0.00 C ATOM 991 C GLN A 61 -1.854 -3.541 -1.239 1.00 0.00 C ATOM 992 O GLN A 61 -1.822 -4.747 -0.998 1.00 0.00 O ATOM 993 CB GLN A 61 -1.055 -3.793 -3.653 1.00 0.00 C ATOM 994 CG GLN A 61 -2.472 -3.795 -4.240 1.00 0.00 C ATOM 995 CD GLN A 61 -3.369 -4.876 -3.639 1.00 0.00 C ATOM 996 OE1 GLN A 61 -4.364 -4.578 -2.989 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.039 -6.144 -3.866 1.00 0.00 N ATOM 0 H GLN A 61 0.753 -4.132 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.213 -1.977 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.369 -3.364 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.739 -4.823 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.929 -2.819 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.412 -3.940 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.205 -6.364 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.620 -6.896 -3.496 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.621 -2.677 -0.559 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.414 -3.051 0.611 1.00 0.00 C ATOM 1008 C LEU A 62 -4.775 -2.366 0.635 1.00 0.00 C ATOM 1009 O LEU A 62 -4.888 -1.197 0.279 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.656 -2.796 1.932 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.752 -1.548 1.939 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -1.795 -0.827 3.290 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.303 -1.974 1.682 1.00 0.00 C ATOM 0 H LEU A 62 -2.706 -1.692 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.587 -4.124 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.384 -2.702 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.044 -3.670 2.156 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.114 -0.873 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.145 0.048 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.817 -0.512 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.454 -1.503 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.341 -1.095 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.018 -2.662 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.236 -2.469 0.713 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.807 -3.095 1.072 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.170 -2.605 1.145 1.00 0.00 C ATOM 1027 C TYR A 63 -7.395 -1.917 2.501 1.00 0.00 C ATOM 1028 O TYR A 63 -7.561 -2.564 3.537 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.137 -3.761 0.859 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.475 -3.971 -0.613 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.461 -4.018 -1.589 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.813 -4.161 -1.006 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.784 -4.270 -2.934 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.139 -4.377 -2.355 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.124 -4.436 -3.319 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.443 -4.675 -4.622 1.00 0.00 O ATOM 0 H TYR A 63 -5.707 -4.059 1.389 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.362 -1.847 0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.705 -4.681 1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.063 -3.584 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.432 -3.860 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.597 -4.141 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.999 -4.336 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.171 -4.498 -2.649 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.415 -4.765 -4.710 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.372 -0.583 2.484 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.540 0.279 3.642 1.00 0.00 C ATOM 1048 C VAL A 64 -9.020 0.638 3.795 1.00 0.00 C ATOM 1049 O VAL A 64 -9.637 1.148 2.859 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.667 1.537 3.494 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.832 2.456 4.712 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.185 1.160 3.371 1.00 0.00 C ATOM 0 H VAL A 64 -7.229 -0.057 1.622 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.217 -0.243 4.543 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.991 2.055 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.206 3.340 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.875 2.759 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.532 1.922 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.587 2.065 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.872 0.618 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.042 0.528 2.494 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.578 0.379 4.979 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.894 0.828 5.392 1.00 0.00 C ATOM 1064 C TYR A 65 -10.752 2.236 5.973 1.00 0.00 C ATOM 1065 O TYR A 65 -10.078 2.421 6.990 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.480 -0.139 6.440 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.681 -0.950 5.991 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.788 -0.304 5.408 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.740 -2.332 6.254 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.921 -1.046 5.032 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.875 -3.072 5.878 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.966 -2.428 5.273 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.071 -3.146 4.926 1.00 0.00 O ATOM 0 H TYR A 65 -9.103 -0.169 5.696 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.575 0.846 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.695 -0.829 6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.763 0.438 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.766 0.764 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.913 -2.824 6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.757 -0.553 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.908 -4.137 6.055 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.936 -4.088 5.161 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.402 3.218 5.344 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.477 4.590 5.814 1.00 0.00 C ATOM 1085 C ALA A 66 -12.934 5.038 5.744 1.00 0.00 C ATOM 1086 O ALA A 66 -13.583 4.868 4.718 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.573 5.480 4.960 1.00 0.00 C ATOM 0 H ALA A 66 -11.903 3.069 4.468 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.130 4.667 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.633 6.508 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.543 5.130 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.898 5.437 3.920 1.00 0.00 H new ATOM 1093 N SER A 67 -13.472 5.568 6.846 1.00 0.00 N ATOM 1094 CA SER A 67 -14.869 5.986 6.957 1.00 0.00 C ATOM 1095 C SER A 67 -15.826 4.866 6.508 1.00 0.00 C ATOM 1096 O SER A 67 -16.822 5.106 5.836 1.00 0.00 O ATOM 1097 CB SER A 67 -15.074 7.294 6.174 1.00 0.00 C ATOM 1098 OG SER A 67 -16.148 8.047 6.700 1.00 0.00 O ATOM 0 H SER A 67 -12.937 5.721 7.701 1.00 0.00 H new ATOM 0 HA SER A 67 -15.108 6.180 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.160 7.887 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.267 7.066 5.126 1.00 0.00 H new ATOM 0 HG SER A 67 -16.253 8.873 6.183 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.487 3.622 6.870 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.206 2.411 6.486 1.00 0.00 C ATOM 1106 C ASP A 68 -16.374 2.247 4.964 1.00 0.00 C ATOM 1107 O ASP A 68 -17.249 1.512 4.516 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.537 2.315 7.248 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.192 0.939 7.124 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.451 -0.062 7.242 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.428 0.912 6.932 1.00 0.00 O ATOM 0 H ASP A 68 -14.676 3.430 7.458 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.587 1.564 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.364 2.537 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.222 3.074 6.871 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.517 2.884 4.160 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.383 2.637 2.731 1.00 0.00 C ATOM 1118 C LYS A 69 -14.011 1.994 2.542 1.00 0.00 C ATOM 1119 O LYS A 69 -13.034 2.423 3.156 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.488 3.941 1.927 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.910 4.278 1.457 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.908 4.441 2.609 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.264 4.908 2.073 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.267 4.973 3.150 1.00 0.00 N ATOM 0 H LYS A 69 -14.882 3.605 4.501 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.182 1.990 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.115 4.763 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.837 3.871 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.884 5.199 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.261 3.490 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.024 3.494 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.526 5.163 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.157 5.890 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.605 4.225 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.176 5.292 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.384 4.030 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.950 5.643 3.880 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.946 0.944 1.725 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.747 0.151 1.524 1.00 0.00 C ATOM 1140 C LEU A 70 -12.084 0.597 0.219 1.00 0.00 C ATOM 1141 O LEU A 70 -12.755 0.660 -0.808 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.172 -1.321 1.524 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.014 -2.327 1.544 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.204 -2.213 2.839 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.614 -3.732 1.454 1.00 0.00 C ATOM 0 H LEU A 70 -14.743 0.619 1.177 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.007 0.287 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.806 -1.501 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.782 -1.508 0.640 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.346 -2.124 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.390 -2.938 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.792 -1.207 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.852 -2.412 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.813 -4.471 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.276 -3.900 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.181 -3.827 0.528 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.797 0.953 0.263 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.038 1.463 -0.876 1.00 0.00 C ATOM 1159 C PHE A 71 -8.710 0.719 -0.983 1.00 0.00 C ATOM 1160 O PHE A 71 -8.081 0.434 0.033 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.757 2.957 -0.683 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.868 3.893 -1.121 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.930 4.194 -0.246 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.723 4.625 -2.314 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.842 5.215 -0.575 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.655 5.616 -2.659 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.712 5.917 -1.786 1.00 0.00 C ATOM 0 H PHE A 71 -10.242 0.892 1.116 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.619 1.313 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.549 3.136 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.852 3.213 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.045 3.643 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.888 4.423 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.644 5.460 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.559 6.146 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.424 6.687 -2.044 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.259 0.447 -2.208 1.00 0.00 N ATOM 1178 CA ARG A 72 -6.963 -0.145 -2.486 1.00 0.00 C ATOM 1179 C ARG A 72 -5.907 0.960 -2.476 1.00 0.00 C ATOM 1180 O ARG A 72 -5.821 1.750 -3.418 1.00 0.00 O ATOM 1181 CB ARG A 72 -6.998 -0.853 -3.844 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.695 -1.624 -4.078 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.680 -2.276 -5.462 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.414 -1.277 -6.504 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.989 -1.558 -7.745 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.835 -2.825 -8.142 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.723 -0.557 -8.587 1.00 0.00 N ATOM 0 H ARG A 72 -8.802 0.639 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.714 -0.884 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.845 -1.538 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.143 -0.122 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.846 -0.947 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.579 -2.390 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.918 -3.054 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.638 -2.760 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.563 -0.296 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.041 -3.590 -7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.511 -3.027 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.843 0.410 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.399 -0.759 -9.533 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.087 0.990 -1.427 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.936 1.861 -1.319 1.00 0.00 C ATOM 1203 C ALA A 73 -2.743 1.124 -1.917 1.00 0.00 C ATOM 1204 O ALA A 73 -2.440 0.008 -1.494 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.692 2.199 0.154 1.00 0.00 C ATOM 0 H ALA A 73 -5.215 0.391 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.095 2.797 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.826 2.855 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.569 2.702 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.508 1.281 0.712 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.077 1.739 -2.895 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.809 1.276 -3.431 1.00 0.00 C ATOM 1213 C ASP A 74 0.254 2.275 -3.001 1.00 0.00 C ATOM 1214 O ASP A 74 0.269 3.413 -3.475 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.892 1.144 -4.950 1.00 0.00 C ATOM 1216 CG ASP A 74 0.452 0.774 -5.577 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.250 0.106 -4.899 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.645 1.175 -6.753 1.00 0.00 O ATOM 0 H ASP A 74 -2.416 2.591 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.555 0.287 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.631 0.385 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.242 2.085 -5.375 1.00 0.00 H new ATOM 1223 N ILE A 75 1.105 1.840 -2.077 1.00 0.00 N ATOM 1224 CA ILE A 75 2.237 2.588 -1.550 1.00 0.00 C ATOM 1225 C ILE A 75 3.486 1.991 -2.186 1.00 0.00 C ATOM 1226 O ILE A 75 3.479 0.813 -2.533 1.00 0.00 O ATOM 1227 CB ILE A 75 2.273 2.474 -0.011 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.986 3.027 0.627 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.474 3.220 0.592 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.050 1.926 0.868 1.00 0.00 C ATOM 0 H ILE A 75 1.019 0.914 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 75 2.166 3.650 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 75 2.363 1.410 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.229 3.511 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.559 3.792 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.461 3.114 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.399 2.799 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.415 4.276 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.943 2.359 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.313 1.460 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.367 1.174 1.538 1.00 0.00 H new ATOM 1242 N SER A 76 4.555 2.775 -2.333 1.00 0.00 N ATOM 1243 CA SER A 76 5.855 2.265 -2.744 1.00 0.00 C ATOM 1244 C SER A 76 6.896 2.684 -1.722 1.00 0.00 C ATOM 1245 O SER A 76 6.704 3.704 -1.062 1.00 0.00 O ATOM 1246 CB SER A 76 6.194 2.771 -4.145 1.00 0.00 C ATOM 1247 OG SER A 76 7.416 2.231 -4.610 1.00 0.00 O ATOM 0 H SER A 76 4.539 3.782 -2.169 1.00 0.00 H new ATOM 0 HA SER A 76 5.838 1.176 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.392 2.504 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.256 3.859 -4.135 1.00 0.00 H new ATOM 0 HG SER A 76 7.573 1.363 -4.184 1.00 0.00 H new ATOM 1253 N GLU A 77 7.968 1.890 -1.600 1.00 0.00 N ATOM 1254 CA GLU A 77 9.143 2.167 -0.785 1.00 0.00 C ATOM 1255 C GLU A 77 10.358 2.167 -1.705 1.00 0.00 C ATOM 1256 O GLU A 77 10.494 1.248 -2.512 1.00 0.00 O ATOM 1257 CB GLU A 77 9.253 1.131 0.342 1.00 0.00 C ATOM 1258 CG GLU A 77 10.366 1.434 1.367 1.00 0.00 C ATOM 1259 CD GLU A 77 11.677 0.680 1.132 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.097 0.584 -0.039 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.244 0.212 2.142 1.00 0.00 O ATOM 0 H GLU A 77 8.036 0.999 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 77 9.073 3.142 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.298 1.075 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.435 0.150 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.571 2.504 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.998 1.192 2.364 1.00 0.00 H new ATOM 1268 N ASP A 78 11.211 3.192 -1.600 1.00 0.00 N ATOM 1269 CA ASP A 78 12.417 3.325 -2.401 1.00 0.00 C ATOM 1270 C ASP A 78 13.598 2.693 -1.657 1.00 0.00 C ATOM 1271 O ASP A 78 13.886 3.074 -0.525 1.00 0.00 O ATOM 1272 CB ASP A 78 12.645 4.810 -2.727 1.00 0.00 C ATOM 1273 CG ASP A 78 13.456 5.566 -1.675 1.00 0.00 C ATOM 1274 OD1 ASP A 78 12.904 5.830 -0.586 1.00 0.00 O ATOM 1275 OD2 ASP A 78 14.638 5.849 -1.972 1.00 0.00 O ATOM 0 H ASP A 78 11.074 3.961 -0.944 1.00 0.00 H new ATOM 0 HA ASP A 78 12.314 2.795 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.156 4.885 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.677 5.298 -2.843 1.00 0.00 H new ATOM 1280 N TYR A 79 14.302 1.737 -2.264 1.00 0.00 N ATOM 1281 CA TYR A 79 15.334 0.998 -1.545 1.00 0.00 C ATOM 1282 C TYR A 79 16.522 1.891 -1.168 1.00 0.00 C ATOM 1283 O TYR A 79 17.186 1.650 -0.164 1.00 0.00 O ATOM 1284 CB TYR A 79 15.777 -0.224 -2.360 1.00 0.00 C ATOM 1285 CG TYR A 79 16.801 -1.093 -1.652 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.502 -1.641 -0.390 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.083 -1.272 -2.204 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.475 -2.375 0.310 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.060 -1.997 -1.498 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.757 -2.540 -0.239 1.00 0.00 C ATOM 1291 OH TYR A 79 19.705 -3.225 0.463 1.00 0.00 O ATOM 0 H TYR A 79 14.178 1.461 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 79 14.905 0.646 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.901 -0.829 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.195 0.115 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.522 -1.497 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.317 -0.852 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.237 -2.812 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.043 -2.136 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 79 20.538 -3.253 -0.053 1.00 0.00 H new ATOM 1301 N LYS A 80 16.791 2.927 -1.971 1.00 0.00 N ATOM 1302 CA LYS A 80 17.895 3.845 -1.751 1.00 0.00 C ATOM 1303 C LYS A 80 17.784 4.531 -0.393 1.00 0.00 C ATOM 1304 O LYS A 80 18.707 4.462 0.417 1.00 0.00 O ATOM 1305 CB LYS A 80 17.915 4.876 -2.894 1.00 0.00 C ATOM 1306 CG LYS A 80 18.787 4.427 -4.073 1.00 0.00 C ATOM 1307 CD LYS A 80 20.160 5.121 -4.124 1.00 0.00 C ATOM 1308 CE LYS A 80 21.110 4.785 -2.963 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.801 5.531 -1.729 1.00 0.00 N ATOM 0 H LYS A 80 16.237 3.147 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 80 18.832 3.288 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.897 5.046 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.285 5.828 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.936 3.349 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.255 4.624 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.649 4.854 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 80 20.003 6.199 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.058 3.716 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.135 5.002 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.687 5.829 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.233 6.370 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.265 4.921 -1.079 1.00 0.00 H new ATOM 1323 N THR A 81 16.671 5.231 -0.181 1.00 0.00 N ATOM 1324 CA THR A 81 16.458 6.058 1.000 1.00 0.00 C ATOM 1325 C THR A 81 15.666 5.293 2.065 1.00 0.00 C ATOM 1326 O THR A 81 15.600 5.733 3.209 1.00 0.00 O ATOM 1327 CB THR A 81 15.754 7.370 0.604 1.00 0.00 C ATOM 1328 OG1 THR A 81 16.133 7.767 -0.702 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.111 8.511 1.560 1.00 0.00 C ATOM 0 H THR A 81 15.886 5.238 -0.832 1.00 0.00 H new ATOM 0 HA THR A 81 17.425 6.310 1.435 1.00 0.00 H new ATOM 0 HB THR A 81 14.682 7.175 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.659 7.219 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.596 9.420 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.804 8.247 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.188 8.679 1.540 1.00 0.00 H new ATOM 1337 N ARG A 82 15.041 4.171 1.688 1.00 0.00 N ATOM 1338 CA ARG A 82 14.154 3.396 2.542 1.00 0.00 C ATOM 1339 C ARG A 82 13.038 4.279 3.108 1.00 0.00 C ATOM 1340 O ARG A 82 12.663 4.155 4.272 1.00 0.00 O ATOM 1341 CB ARG A 82 14.961 2.636 3.601 1.00 0.00 C ATOM 1342 CG ARG A 82 15.950 1.679 2.921 1.00 0.00 C ATOM 1343 CD ARG A 82 16.865 0.967 3.924 1.00 0.00 C ATOM 1344 NE ARG A 82 17.703 1.909 4.679 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.727 2.619 4.178 1.00 0.00 C ATOM 1346 NH1 ARG A 82 19.065 2.516 2.886 1.00 0.00 N ATOM 1347 NH2 ARG A 82 19.408 3.439 4.983 1.00 0.00 N ATOM 0 H ARG A 82 15.146 3.773 0.755 1.00 0.00 H new ATOM 0 HA ARG A 82 13.647 2.632 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.501 3.341 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.288 2.076 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.395 0.935 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.560 2.237 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.258 0.387 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.503 0.261 3.393 1.00 0.00 H new ATOM 0 HE ARG A 82 17.489 2.034 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.543 1.893 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.845 3.061 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.148 3.520 5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.188 3.984 4.615 1.00 0.00 H new ATOM 1361 N GLY A 83 12.489 5.151 2.255 1.00 0.00 N ATOM 1362 CA GLY A 83 11.336 5.988 2.547 1.00 0.00 C ATOM 1363 C GLY A 83 10.203 5.574 1.614 1.00 0.00 C ATOM 1364 O GLY A 83 10.465 4.957 0.577 1.00 0.00 O ATOM 0 H GLY A 83 12.853 5.293 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.034 5.871 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.583 7.040 2.403 1.00 0.00 H new ATOM 1368 N ARG A 84 8.953 5.875 1.983 1.00 0.00 N ATOM 1369 CA ARG A 84 7.788 5.466 1.223 1.00 0.00 C ATOM 1370 C ARG A 84 7.044 6.664 0.653 1.00 0.00 C ATOM 1371 O ARG A 84 7.250 7.796 1.086 1.00 0.00 O ATOM 1372 CB ARG A 84 6.837 4.632 2.087 1.00 0.00 C ATOM 1373 CG ARG A 84 7.521 3.533 2.905 1.00 0.00 C ATOM 1374 CD ARG A 84 7.799 3.980 4.344 1.00 0.00 C ATOM 1375 NE ARG A 84 8.558 2.960 5.078 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.810 3.003 6.393 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.313 3.992 7.145 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.565 2.053 6.952 1.00 0.00 N ATOM 0 H ARG A 84 8.730 6.411 2.822 1.00 0.00 H new ATOM 0 HA ARG A 84 8.144 4.855 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.307 5.298 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.088 4.174 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.891 2.644 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.458 3.253 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.357 4.917 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.857 4.175 4.856 1.00 0.00 H new ATOM 0 HE ARG A 84 8.918 2.164 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.739 4.719 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.508 4.019 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.946 1.301 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.761 2.080 7.953 1.00 0.00 H new ATOM 1392 N LYS A 85 6.145 6.381 -0.289 1.00 0.00 N ATOM 1393 CA LYS A 85 5.237 7.343 -0.885 1.00 0.00 C ATOM 1394 C LYS A 85 4.023 6.646 -1.490 1.00 0.00 C ATOM 1395 O LYS A 85 4.116 5.500 -1.930 1.00 0.00 O ATOM 1396 CB LYS A 85 5.980 8.247 -1.878 1.00 0.00 C ATOM 1397 CG LYS A 85 6.597 7.550 -3.103 1.00 0.00 C ATOM 1398 CD LYS A 85 5.594 7.356 -4.253 1.00 0.00 C ATOM 1399 CE LYS A 85 6.311 7.269 -5.607 1.00 0.00 C ATOM 1400 NZ LYS A 85 7.188 6.089 -5.700 1.00 0.00 N ATOM 0 H LYS A 85 6.030 5.441 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 85 4.850 7.998 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.286 9.010 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.776 8.764 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.442 8.138 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.989 6.578 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.016 6.447 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.887 8.185 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.571 7.233 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.902 8.172 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.125 6.379 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.286 5.654 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.774 5.400 -6.359 1.00 0.00 H new ATOM 1414 N LEU A 86 2.876 7.326 -1.482 1.00 0.00 N ATOM 1415 CA LEU A 86 1.648 6.853 -2.099 1.00 0.00 C ATOM 1416 C LEU A 86 1.812 6.874 -3.621 1.00 0.00 C ATOM 1417 O LEU A 86 2.172 7.910 -4.175 1.00 0.00 O ATOM 1418 CB LEU A 86 0.505 7.781 -1.661 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.887 7.368 -2.160 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.338 6.057 -1.509 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.886 8.474 -1.802 1.00 0.00 C ATOM 0 H LEU A 86 2.778 8.238 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 86 1.423 5.832 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.487 7.823 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.718 8.789 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.844 7.220 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.327 5.788 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.630 5.266 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.379 6.183 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.880 8.194 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.906 8.610 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.583 9.406 -2.279 1.00 0.00 H new ATOM 1433 N LEU A 87 1.539 5.755 -4.299 1.00 0.00 N ATOM 1434 CA LEU A 87 1.400 5.744 -5.751 1.00 0.00 C ATOM 1435 C LEU A 87 -0.044 6.094 -6.097 1.00 0.00 C ATOM 1436 O LEU A 87 -0.276 6.994 -6.900 1.00 0.00 O ATOM 1437 CB LEU A 87 1.789 4.386 -6.352 1.00 0.00 C ATOM 1438 CG LEU A 87 3.303 4.163 -6.464 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.550 2.688 -6.795 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.922 5.008 -7.585 1.00 0.00 C ATOM 0 H LEU A 87 1.410 4.844 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 87 2.080 6.480 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.360 3.593 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.345 4.299 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 87 3.760 4.452 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.622 2.509 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.139 2.063 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.066 2.441 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.995 4.821 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.465 4.739 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.746 6.065 -7.384 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.018 5.403 -5.493 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.423 5.728 -5.695 1.00 0.00 C ATOM 1454 C ARG A 88 -3.298 5.139 -4.591 1.00 0.00 C ATOM 1455 O ARG A 88 -2.848 4.290 -3.823 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.918 5.302 -7.090 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.958 3.787 -7.340 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.658 3.219 -7.920 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.395 3.734 -9.272 1.00 0.00 N ATOM 1460 CZ ARG A 88 -2.014 3.321 -10.387 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -2.980 2.396 -10.327 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -1.663 3.844 -11.566 1.00 0.00 N ATOM 0 H ARG A 88 -0.853 4.618 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.509 6.813 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.920 5.705 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.274 5.760 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.178 3.279 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.778 3.563 -8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.825 3.474 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.718 2.131 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.687 4.462 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.251 1.999 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.445 2.088 -11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.930 4.551 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.129 3.536 -12.420 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.553 5.593 -4.543 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.586 5.137 -3.625 1.00 0.00 C ATOM 1478 C PHE A 89 -6.854 4.904 -4.448 1.00 0.00 C ATOM 1479 O PHE A 89 -7.661 5.815 -4.621 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.776 6.201 -2.537 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.627 5.765 -1.363 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.027 5.112 -0.272 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.970 6.174 -1.278 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.757 4.889 0.908 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.689 5.982 -0.086 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.082 5.346 1.010 1.00 0.00 C ATOM 0 H PHE A 89 -4.886 6.322 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.321 4.206 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.796 6.500 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.229 7.084 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.001 4.781 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.449 6.636 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.300 4.367 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.711 6.324 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.633 5.209 1.929 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.996 3.712 -5.034 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.105 3.410 -5.929 1.00 0.00 C ATOM 1498 C ASN A 90 -9.280 2.904 -5.108 1.00 0.00 C ATOM 1499 O ASN A 90 -9.084 2.210 -4.113 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.732 2.327 -6.943 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.503 2.652 -7.784 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.510 1.930 -7.748 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.556 3.723 -8.570 1.00 0.00 N ATOM 0 H ASN A 90 -6.347 2.937 -4.900 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.359 4.323 -6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.557 1.392 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.579 2.161 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.760 3.961 -9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.393 4.306 -8.581 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.500 3.206 -5.539 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.707 2.696 -4.912 1.00 0.00 C ATOM 1512 C GLY A 91 -12.845 3.711 -5.003 1.00 0.00 C ATOM 1513 O GLY A 91 -12.743 4.655 -5.787 1.00 0.00 O ATOM 0 H GLY A 91 -10.677 3.815 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.006 1.766 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.507 2.463 -3.866 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.917 3.533 -4.215 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.094 2.432 -3.276 1.00 0.00 C ATOM 1519 C PRO A 92 -14.166 1.095 -4.016 1.00 0.00 C ATOM 1520 O PRO A 92 -14.650 1.036 -5.144 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.395 2.733 -2.529 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.182 3.597 -3.516 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.090 4.386 -4.239 1.00 0.00 C ATOM 0 HA PRO A 92 -13.255 2.348 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.934 1.820 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.208 3.261 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.764 2.989 -4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.883 4.256 -3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.386 4.619 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.896 5.335 -3.740 1.00 0.00 H new ATOM 1531 N VAL A 93 -13.660 0.031 -3.390 1.00 0.00 N ATOM 1532 CA VAL A 93 -13.684 -1.331 -3.908 1.00 0.00 C ATOM 1533 C VAL A 93 -14.098 -2.268 -2.769 1.00 0.00 C ATOM 1534 O VAL A 93 -13.486 -2.224 -1.705 1.00 0.00 O ATOM 1535 CB VAL A 93 -12.316 -1.751 -4.486 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -12.201 -1.366 -5.966 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -11.119 -1.186 -3.707 1.00 0.00 C ATOM 0 H VAL A 93 -13.208 0.100 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.400 -1.388 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.277 -2.836 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -11.227 -1.674 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -12.987 -1.864 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.307 -0.286 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.192 -1.523 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.157 -0.097 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.158 -1.537 -2.676 1.00 0.00 H new ATOM 1547 N PRO A 94 -15.130 -3.106 -2.953 1.00 0.00 N ATOM 1548 CA PRO A 94 -15.552 -4.056 -1.939 1.00 0.00 C ATOM 1549 C PRO A 94 -14.519 -5.189 -1.857 1.00 0.00 C ATOM 1550 O PRO A 94 -13.730 -5.362 -2.787 1.00 0.00 O ATOM 1551 CB PRO A 94 -16.914 -4.560 -2.428 1.00 0.00 C ATOM 1552 CG PRO A 94 -16.777 -4.508 -3.949 1.00 0.00 C ATOM 1553 CD PRO A 94 -15.883 -3.290 -4.183 1.00 0.00 C ATOM 0 HA PRO A 94 -15.629 -3.628 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -17.120 -5.571 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -17.728 -3.928 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -16.326 -5.419 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -17.746 -4.395 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -15.215 -3.452 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -16.479 -2.406 -4.412 1.00 0.00 H new ATOM 1561 N PRO A 95 -14.507 -5.978 -0.774 1.00 0.00 N ATOM 1562 CA PRO A 95 -13.621 -7.126 -0.677 1.00 0.00 C ATOM 1563 C PRO A 95 -14.067 -8.177 -1.706 1.00 0.00 C ATOM 1564 O PRO A 95 -15.207 -8.636 -1.633 1.00 0.00 O ATOM 1565 CB PRO A 95 -13.767 -7.621 0.766 1.00 0.00 C ATOM 1566 CG PRO A 95 -15.181 -7.190 1.159 1.00 0.00 C ATOM 1567 CD PRO A 95 -15.387 -5.888 0.382 1.00 0.00 C ATOM 0 HA PRO A 95 -12.577 -6.898 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.646 -8.702 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.017 -7.175 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.921 -7.942 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.269 -7.034 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.427 -5.775 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.140 -5.022 0.996 1.00 0.00 H new ATOM 1575 N PRO A 96 -13.225 -8.556 -2.680 1.00 0.00 N ATOM 1576 CA PRO A 96 -13.622 -9.491 -3.720 1.00 0.00 C ATOM 1577 C PRO A 96 -13.746 -10.911 -3.159 1.00 0.00 C ATOM 1578 O PRO A 96 -14.612 -11.650 -3.677 1.00 0.00 O ATOM 1579 CB PRO A 96 -12.535 -9.387 -4.793 1.00 0.00 C ATOM 1580 CG PRO A 96 -11.292 -9.004 -3.992 1.00 0.00 C ATOM 1581 CD PRO A 96 -11.854 -8.112 -2.883 1.00 0.00 C ATOM 1582 OXT PRO A 96 -12.961 -11.245 -2.243 1.00 0.00 O ATOM 0 HA PRO A 96 -14.603 -9.256 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.399 -10.331 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.779 -8.634 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.788 -9.881 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -10.564 -8.473 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.271 -8.210 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.821 -7.061 -3.171 1.00 0.00 H new TER 1590 PRO A 96