USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 24 MET CE :methyl -140:sc= -3.75 (180deg=-5.32!) USER MOD Set 1.2: A 35 ASN : amide:sc= -0.687 K(o=-4.4,f=-6.4) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 6 THR OG1 : rot -130:sc= 0.106 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : +bothHN:sc= -4.1! C(o=-4.1!,f=-14!) USER MOD Single : A 13 THR OG1 : rot 35:sc= 0.42 USER MOD Single : A 15 THR OG1 : rot 38:sc= 0.361 USER MOD Single : A 22 ASN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.236 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00904) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0.121 (180deg=0.0298) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.185 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 29:sc= 0.535 USER MOD Single : A 60 SER OG : rot 102:sc= -1.76 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00455 X(o=-0.0045,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.258) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 2:sc= 0.757 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.0113 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.4 F(o=-2.2!,f=-0.4) USER MOD Single : A 89 CYS SG : rot 11:sc= -0.899 USER MOD Single : A 94 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.62) USER MOD Single : A 99 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.584 11.556 2.527 1.00 0.00 N ATOM 21 CA GLN A 2 -5.379 10.180 1.971 1.00 0.00 C ATOM 22 C GLN A 2 -6.589 9.790 1.119 1.00 0.00 C ATOM 23 O GLN A 2 -7.710 9.770 1.603 1.00 0.00 O ATOM 24 CB GLN A 2 -5.220 9.186 3.122 1.00 0.00 C ATOM 25 CG GLN A 2 -3.732 9.008 3.450 1.00 0.00 C ATOM 26 CD GLN A 2 -3.394 9.764 4.738 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.884 9.428 5.797 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.575 10.779 4.691 1.00 0.00 N ATOM 0 HA GLN A 2 -4.481 10.165 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.756 9.544 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.660 8.226 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.499 7.949 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.121 9.380 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.163 11.061 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.347 11.290 5.544 1.00 0.00 H new ATOM 37 N ASP A 3 -6.363 9.486 -0.142 1.00 0.00 N ATOM 38 CA ASP A 3 -7.484 9.097 -1.058 1.00 0.00 C ATOM 39 C ASP A 3 -7.028 7.962 -1.983 1.00 0.00 C ATOM 40 O ASP A 3 -5.944 7.424 -1.822 1.00 0.00 O ATOM 41 CB ASP A 3 -7.889 10.310 -1.900 1.00 0.00 C ATOM 42 CG ASP A 3 -8.992 11.087 -1.179 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.674 11.791 -0.234 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.137 10.965 -1.583 1.00 0.00 O ATOM 0 H ASP A 3 -5.440 9.492 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.335 8.757 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.026 10.954 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.239 9.985 -2.880 1.00 0.00 H new ATOM 49 N TRP A 4 -7.852 7.604 -2.954 1.00 0.00 N ATOM 50 CA TRP A 4 -7.496 6.507 -3.921 1.00 0.00 C ATOM 51 C TRP A 4 -6.110 6.785 -4.526 1.00 0.00 C ATOM 52 O TRP A 4 -5.356 5.867 -4.800 1.00 0.00 O ATOM 53 CB TRP A 4 -8.556 6.458 -5.037 1.00 0.00 C ATOM 54 CG TRP A 4 -8.204 5.407 -6.048 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.974 5.640 -7.360 1.00 0.00 C ATOM 56 CD2 TRP A 4 -8.036 3.973 -5.856 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.674 4.444 -7.983 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.700 3.386 -7.098 1.00 0.00 C ATOM 59 CE3 TRP A 4 -8.143 3.133 -4.736 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.477 2.014 -7.223 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.920 1.751 -4.858 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.588 1.194 -6.098 1.00 0.00 C ATOM 0 H TRP A 4 -8.764 8.032 -3.116 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.470 5.549 -3.402 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.535 6.245 -4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.626 7.431 -5.524 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -8.018 6.605 -7.843 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.459 4.354 -8.976 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.399 3.552 -3.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.221 1.590 -8.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.005 1.115 -3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.418 0.131 -6.185 1.00 0.00 H new ATOM 73 N ALA A 5 -5.785 8.044 -4.726 1.00 0.00 N ATOM 74 CA ALA A 5 -4.456 8.415 -5.306 1.00 0.00 C ATOM 75 C ALA A 5 -3.352 8.030 -4.317 1.00 0.00 C ATOM 76 O ALA A 5 -2.326 7.482 -4.700 1.00 0.00 O ATOM 77 CB ALA A 5 -4.415 9.926 -5.564 1.00 0.00 C ATOM 0 H ALA A 5 -6.391 8.835 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.303 7.886 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.447 10.197 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.205 10.197 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.563 10.460 -4.625 1.00 0.00 H new ATOM 83 N THR A 6 -3.572 8.301 -3.045 1.00 0.00 N ATOM 84 CA THR A 6 -2.562 7.953 -2.001 1.00 0.00 C ATOM 85 C THR A 6 -2.506 6.438 -1.873 1.00 0.00 C ATOM 86 O THR A 6 -1.442 5.848 -1.874 1.00 0.00 O ATOM 87 CB THR A 6 -2.977 8.566 -0.659 1.00 0.00 C ATOM 88 OG1 THR A 6 -3.316 9.931 -0.850 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.823 8.460 0.345 1.00 0.00 C ATOM 0 H THR A 6 -4.416 8.751 -2.690 1.00 0.00 H new ATOM 0 HA THR A 6 -1.584 8.343 -2.281 1.00 0.00 H new ATOM 0 HB THR A 6 -3.839 8.025 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.844 10.481 -0.190 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.127 8.898 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.566 7.411 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.955 8.995 -0.040 1.00 0.00 H new ATOM 97 N PHE A 7 -3.661 5.818 -1.787 1.00 0.00 N ATOM 98 CA PHE A 7 -3.743 4.328 -1.680 1.00 0.00 C ATOM 99 C PHE A 7 -3.096 3.710 -2.930 1.00 0.00 C ATOM 100 O PHE A 7 -2.572 2.609 -2.879 1.00 0.00 O ATOM 101 CB PHE A 7 -5.229 3.927 -1.578 1.00 0.00 C ATOM 102 CG PHE A 7 -5.397 2.425 -1.699 1.00 0.00 C ATOM 103 CD1 PHE A 7 -5.334 1.608 -0.563 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.614 1.860 -2.958 1.00 0.00 C ATOM 105 CE1 PHE A 7 -5.490 0.221 -0.693 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.769 0.476 -3.090 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.707 -0.345 -1.957 1.00 0.00 C ATOM 0 H PHE A 7 -4.564 6.292 -1.787 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.217 3.967 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.636 4.266 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.798 4.424 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.166 2.045 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.662 2.493 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.443 -0.412 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.936 0.041 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.826 -1.414 -2.057 1.00 0.00 H new ATOM 117 N LYS A 8 -3.133 4.419 -4.041 1.00 0.00 N ATOM 118 CA LYS A 8 -2.525 3.903 -5.306 1.00 0.00 C ATOM 119 C LYS A 8 -1.019 3.730 -5.098 1.00 0.00 C ATOM 120 O LYS A 8 -0.470 2.677 -5.362 1.00 0.00 O ATOM 121 CB LYS A 8 -2.773 4.906 -6.437 1.00 0.00 C ATOM 122 CG LYS A 8 -2.801 4.173 -7.781 1.00 0.00 C ATOM 123 CD LYS A 8 -1.369 3.913 -8.253 1.00 0.00 C ATOM 124 CE LYS A 8 -1.391 3.329 -9.667 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.525 4.432 -10.661 1.00 0.00 N ATOM 0 H LYS A 8 -3.563 5.340 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.974 2.945 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.718 5.425 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.990 5.664 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.339 3.230 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.336 4.769 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.798 4.841 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.871 3.223 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.476 2.767 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.221 2.630 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.540 4.034 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.410 4.950 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.719 5.083 -10.568 1.00 0.00 H new ATOM 139 N LYS A 9 -0.358 4.761 -4.619 1.00 0.00 N ATOM 140 CA LYS A 9 1.120 4.679 -4.381 1.00 0.00 C ATOM 141 C LYS A 9 1.410 3.973 -3.047 1.00 0.00 C ATOM 142 O LYS A 9 2.520 3.526 -2.811 1.00 0.00 O ATOM 143 CB LYS A 9 1.702 6.092 -4.344 1.00 0.00 C ATOM 144 CG LYS A 9 1.768 6.645 -5.769 1.00 0.00 C ATOM 145 CD LYS A 9 3.126 6.301 -6.385 1.00 0.00 C ATOM 146 CE LYS A 9 3.490 7.353 -7.437 1.00 0.00 C ATOM 147 NZ LYS A 9 3.042 6.892 -8.784 1.00 0.00 N ATOM 0 H LYS A 9 -0.781 5.658 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 9 1.578 4.107 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.084 6.737 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.697 6.077 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.965 6.222 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.624 7.725 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.891 6.267 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.090 5.312 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.018 8.305 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.567 7.522 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.290 7.608 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.512 5.994 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.011 6.752 -8.778 1.00 0.00 H new ATOM 161 N LYS A 10 0.427 3.897 -2.170 1.00 0.00 N ATOM 162 CA LYS A 10 0.624 3.255 -0.833 1.00 0.00 C ATOM 163 C LYS A 10 0.452 1.728 -0.890 1.00 0.00 C ATOM 164 O LYS A 10 1.267 1.004 -0.341 1.00 0.00 O ATOM 165 CB LYS A 10 -0.392 3.838 0.155 1.00 0.00 C ATOM 166 CG LYS A 10 0.246 4.996 0.941 1.00 0.00 C ATOM 167 CD LYS A 10 0.388 4.613 2.420 1.00 0.00 C ATOM 168 CE LYS A 10 0.136 5.842 3.303 1.00 0.00 C ATOM 169 NZ LYS A 10 1.220 5.953 4.319 1.00 0.00 N ATOM 0 H LYS A 10 -0.513 4.259 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 10 1.645 3.462 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.272 4.193 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.729 3.063 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.224 5.234 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.368 5.892 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.320 3.823 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.386 4.217 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.103 6.743 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.832 5.757 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.050 6.786 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.231 5.097 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.137 6.053 3.839 1.00 0.00 H new ATOM 183 N HIS A 11 -0.616 1.239 -1.498 1.00 0.00 N ATOM 184 CA HIS A 11 -0.853 -0.250 -1.529 1.00 0.00 C ATOM 185 C HIS A 11 -0.958 -0.801 -2.957 1.00 0.00 C ATOM 186 O HIS A 11 -1.089 -2.004 -3.128 1.00 0.00 O ATOM 187 CB HIS A 11 -2.151 -0.582 -0.782 1.00 0.00 C ATOM 188 CG HIS A 11 -2.155 0.084 0.568 1.00 0.00 C ATOM 189 ND1 HIS A 11 -2.572 1.393 0.743 1.00 0.00 N ATOM 190 CD2 HIS A 11 -1.803 -0.369 1.815 1.00 0.00 C ATOM 191 CE1 HIS A 11 -2.461 1.682 2.052 1.00 0.00 C ATOM 192 NE2 HIS A 11 -1.997 0.643 2.751 1.00 0.00 N ATOM 0 H HIS A 11 -1.325 1.801 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 11 0.007 -0.717 -1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -3.010 -0.248 -1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.246 -1.661 -0.664 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -2.903 2.023 0.012 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.432 -1.359 2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.716 2.638 2.485 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.822 0.600 3.755 1.00 0.00 H new ATOM 200 N LEU A 12 -0.917 0.038 -3.974 1.00 0.00 N ATOM 201 CA LEU A 12 -1.031 -0.489 -5.378 1.00 0.00 C ATOM 202 C LEU A 12 0.282 -0.322 -6.137 1.00 0.00 C ATOM 203 O LEU A 12 0.831 0.764 -6.230 1.00 0.00 O ATOM 204 CB LEU A 12 -2.147 0.233 -6.136 1.00 0.00 C ATOM 205 CG LEU A 12 -3.465 0.114 -5.368 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.554 0.902 -6.103 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.875 -1.361 -5.280 1.00 0.00 C ATOM 0 H LEU A 12 -0.811 1.049 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.267 -1.551 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.887 1.283 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.257 -0.196 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.338 0.516 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.494 0.819 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.264 1.951 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.680 0.498 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.814 -1.446 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.003 -1.764 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.100 -1.924 -4.760 1.00 0.00 H new ATOM 219 N THR A 13 0.766 -1.405 -6.696 1.00 0.00 N ATOM 220 CA THR A 13 2.034 -1.379 -7.489 1.00 0.00 C ATOM 221 C THR A 13 1.862 -2.289 -8.706 1.00 0.00 C ATOM 222 O THR A 13 1.195 -3.309 -8.629 1.00 0.00 O ATOM 223 CB THR A 13 3.214 -1.866 -6.634 1.00 0.00 C ATOM 224 OG1 THR A 13 2.763 -2.813 -5.672 1.00 0.00 O ATOM 225 CG2 THR A 13 3.850 -0.671 -5.919 1.00 0.00 C ATOM 0 H THR A 13 0.326 -2.323 -6.634 1.00 0.00 H new ATOM 0 HA THR A 13 2.245 -0.358 -7.808 1.00 0.00 H new ATOM 0 HB THR A 13 3.952 -2.342 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.038 -3.349 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.688 -1.014 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.207 0.047 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.109 -0.194 -5.278 1.00 0.00 H new ATOM 233 N ASP A 14 2.445 -1.916 -9.827 1.00 0.00 N ATOM 234 CA ASP A 14 2.317 -2.738 -11.072 1.00 0.00 C ATOM 235 C ASP A 14 3.645 -3.438 -11.384 1.00 0.00 C ATOM 236 O ASP A 14 3.908 -3.806 -12.519 1.00 0.00 O ATOM 237 CB ASP A 14 1.926 -1.823 -12.237 1.00 0.00 C ATOM 238 CG ASP A 14 2.929 -0.673 -12.342 1.00 0.00 C ATOM 239 OD1 ASP A 14 2.725 0.327 -11.673 1.00 0.00 O ATOM 240 OD2 ASP A 14 3.884 -0.812 -13.089 1.00 0.00 O ATOM 0 H ASP A 14 3.007 -1.071 -9.929 1.00 0.00 H new ATOM 0 HA ASP A 14 1.549 -3.498 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.908 -2.390 -13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.921 -1.430 -12.083 1.00 0.00 H new ATOM 245 N THR A 15 4.475 -3.628 -10.379 1.00 0.00 N ATOM 246 CA THR A 15 5.792 -4.308 -10.589 1.00 0.00 C ATOM 247 C THR A 15 6.262 -4.938 -9.279 1.00 0.00 C ATOM 248 O THR A 15 6.448 -4.249 -8.288 1.00 0.00 O ATOM 249 CB THR A 15 6.828 -3.282 -11.054 1.00 0.00 C ATOM 250 OG1 THR A 15 6.812 -2.167 -10.174 1.00 0.00 O ATOM 251 CG2 THR A 15 6.498 -2.820 -12.474 1.00 0.00 C ATOM 0 H THR A 15 4.292 -3.338 -9.418 1.00 0.00 H new ATOM 0 HA THR A 15 5.678 -5.084 -11.345 1.00 0.00 H new ATOM 0 HB THR A 15 7.818 -3.738 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.669 -2.477 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.238 -2.090 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.512 -3.677 -13.148 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.508 -2.364 -12.487 1.00 0.00 H new ATOM 259 N TRP A 16 6.471 -6.239 -9.280 1.00 0.00 N ATOM 260 CA TRP A 16 6.952 -6.944 -8.051 1.00 0.00 C ATOM 261 C TRP A 16 8.330 -6.393 -7.690 1.00 0.00 C ATOM 262 O TRP A 16 8.671 -6.263 -6.525 1.00 0.00 O ATOM 263 CB TRP A 16 7.046 -8.449 -8.334 1.00 0.00 C ATOM 264 CG TRP A 16 7.421 -9.211 -7.092 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.178 -8.822 -5.812 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.094 -10.500 -7.001 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.665 -9.789 -4.950 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.238 -10.841 -5.634 1.00 0.00 C ATOM 269 CE3 TRP A 16 8.591 -11.395 -7.964 1.00 0.00 C ATOM 270 CZ2 TRP A 16 8.852 -12.029 -5.241 1.00 0.00 C ATOM 271 CZ3 TRP A 16 9.209 -12.592 -7.569 1.00 0.00 C ATOM 272 CH2 TRP A 16 9.339 -12.908 -6.211 1.00 0.00 C ATOM 0 H TRP A 16 6.326 -6.843 -10.089 1.00 0.00 H new ATOM 0 HA TRP A 16 6.261 -6.784 -7.223 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.090 -8.812 -8.712 1.00 0.00 H new ATOM 0 HB3 TRP A 16 7.786 -8.630 -9.113 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.685 -7.908 -5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.607 -9.731 -3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 16 8.497 -11.160 -9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.951 -12.268 -4.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.587 -13.273 -8.317 1.00 0.00 H new ATOM 0 HH2 TRP A 16 9.815 -13.831 -5.914 1.00 0.00 H new ATOM 283 N ASP A 17 9.106 -6.050 -8.696 1.00 0.00 N ATOM 284 CA ASP A 17 10.465 -5.473 -8.467 1.00 0.00 C ATOM 285 C ASP A 17 10.315 -3.964 -8.260 1.00 0.00 C ATOM 286 O ASP A 17 10.177 -3.213 -9.215 1.00 0.00 O ATOM 287 CB ASP A 17 11.350 -5.747 -9.685 1.00 0.00 C ATOM 288 CG ASP A 17 11.917 -7.167 -9.597 1.00 0.00 C ATOM 289 OD1 ASP A 17 11.172 -8.099 -9.854 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.086 -7.298 -9.275 1.00 0.00 O ATOM 0 H ASP A 17 8.847 -6.149 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 17 10.927 -5.926 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.771 -5.632 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.163 -5.022 -9.728 1.00 0.00 H new ATOM 295 N VAL A 18 10.315 -3.526 -7.019 1.00 0.00 N ATOM 296 CA VAL A 18 10.147 -2.073 -6.713 1.00 0.00 C ATOM 297 C VAL A 18 11.503 -1.429 -6.424 1.00 0.00 C ATOM 298 O VAL A 18 12.469 -2.104 -6.108 1.00 0.00 O ATOM 299 CB VAL A 18 9.238 -1.924 -5.490 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.962 -0.443 -5.219 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.915 -2.642 -5.758 1.00 0.00 C ATOM 0 H VAL A 18 10.426 -4.123 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 18 9.701 -1.574 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 18 9.731 -2.361 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.315 -0.347 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.903 0.074 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.472 0.000 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.263 -2.539 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.431 -2.201 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.106 -3.699 -5.946 1.00 0.00 H new ATOM 311 N ASP A 19 11.556 -0.122 -6.527 1.00 0.00 N ATOM 312 CA ASP A 19 12.821 0.631 -6.260 1.00 0.00 C ATOM 313 C ASP A 19 12.604 1.553 -5.056 1.00 0.00 C ATOM 314 O ASP A 19 12.048 2.634 -5.182 1.00 0.00 O ATOM 315 CB ASP A 19 13.194 1.460 -7.494 1.00 0.00 C ATOM 316 CG ASP A 19 13.950 0.580 -8.490 1.00 0.00 C ATOM 317 OD1 ASP A 19 13.314 -0.253 -9.116 1.00 0.00 O ATOM 318 OD2 ASP A 19 15.151 0.752 -8.611 1.00 0.00 O ATOM 0 H ASP A 19 10.763 0.463 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 19 13.631 -0.066 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.295 1.864 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.811 2.310 -7.202 1.00 0.00 H new ATOM 323 N CYS A 20 13.029 1.115 -3.891 1.00 0.00 N ATOM 324 CA CYS A 20 12.858 1.925 -2.644 1.00 0.00 C ATOM 325 C CYS A 20 13.725 3.181 -2.710 1.00 0.00 C ATOM 326 O CYS A 20 13.294 4.259 -2.344 1.00 0.00 O ATOM 327 CB CYS A 20 13.293 1.091 -1.437 1.00 0.00 C ATOM 328 SG CYS A 20 12.285 -0.409 -1.324 1.00 0.00 S ATOM 0 H CYS A 20 13.493 0.217 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 20 11.811 2.211 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.346 0.825 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.191 1.677 -0.524 1.00 0.00 H new ATOM 333 N ASP A 21 14.951 3.027 -3.151 1.00 0.00 N ATOM 334 CA ASP A 21 15.912 4.177 -3.230 1.00 0.00 C ATOM 335 C ASP A 21 15.469 5.225 -4.263 1.00 0.00 C ATOM 336 O ASP A 21 16.055 6.294 -4.332 1.00 0.00 O ATOM 337 CB ASP A 21 17.301 3.653 -3.612 1.00 0.00 C ATOM 338 CG ASP A 21 17.684 2.479 -2.704 1.00 0.00 C ATOM 339 OD1 ASP A 21 17.916 2.717 -1.530 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.736 1.365 -3.198 1.00 0.00 O ATOM 0 H ASP A 21 15.335 2.136 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 21 15.937 4.657 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.305 3.334 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.038 4.451 -3.520 1.00 0.00 H new ATOM 345 N ASN A 22 14.468 4.932 -5.074 1.00 0.00 N ATOM 346 CA ASN A 22 14.018 5.917 -6.113 1.00 0.00 C ATOM 347 C ASN A 22 12.725 6.629 -5.692 1.00 0.00 C ATOM 348 O ASN A 22 12.516 7.781 -6.038 1.00 0.00 O ATOM 349 CB ASN A 22 13.783 5.184 -7.435 1.00 0.00 C ATOM 350 CG ASN A 22 14.143 6.106 -8.601 1.00 0.00 C ATOM 351 OD1 ASN A 22 13.304 6.426 -9.419 1.00 0.00 O ATOM 352 ND2 ASN A 22 15.365 6.548 -8.712 1.00 0.00 N ATOM 0 H ASN A 22 13.948 4.055 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 22 14.798 6.670 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.388 4.278 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.741 4.874 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.617 7.163 -9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.069 6.279 -8.025 1.00 0.00 H new ATOM 359 N LEU A 23 11.849 5.944 -4.988 1.00 0.00 N ATOM 360 CA LEU A 23 10.540 6.559 -4.577 1.00 0.00 C ATOM 361 C LEU A 23 10.577 7.028 -3.120 1.00 0.00 C ATOM 362 O LEU A 23 10.163 8.135 -2.811 1.00 0.00 O ATOM 363 CB LEU A 23 9.430 5.511 -4.733 1.00 0.00 C ATOM 364 CG LEU A 23 9.028 5.357 -6.208 1.00 0.00 C ATOM 365 CD1 LEU A 23 8.507 6.690 -6.753 1.00 0.00 C ATOM 366 CD2 LEU A 23 10.234 4.902 -7.039 1.00 0.00 C ATOM 0 H LEU A 23 11.985 4.981 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 23 10.351 7.424 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.771 4.552 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.561 5.804 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 23 8.240 4.607 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.225 6.570 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.637 7.004 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.288 7.446 -6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.938 4.796 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.030 5.643 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.593 3.943 -6.665 1.00 0.00 H new ATOM 378 N MET A 24 11.042 6.184 -2.230 1.00 0.00 N ATOM 379 CA MET A 24 11.092 6.533 -0.773 1.00 0.00 C ATOM 380 C MET A 24 11.789 7.893 -0.511 1.00 0.00 C ATOM 381 O MET A 24 11.263 8.684 0.251 1.00 0.00 O ATOM 382 CB MET A 24 11.834 5.432 -0.019 1.00 0.00 C ATOM 383 CG MET A 24 11.203 5.235 1.363 1.00 0.00 C ATOM 384 SD MET A 24 10.100 3.801 1.321 1.00 0.00 S ATOM 385 CE MET A 24 8.545 4.718 1.211 1.00 0.00 C ATOM 0 H MET A 24 11.395 5.254 -2.455 1.00 0.00 H new ATOM 0 HA MET A 24 10.064 6.620 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.793 4.501 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 24 12.886 5.696 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.981 5.088 2.112 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.647 6.127 1.652 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.793 4.236 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.701 5.741 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.203 4.731 0.176 1.00 0.00 H new ATOM 395 N PRO A 25 12.963 8.128 -1.102 1.00 0.00 N ATOM 396 CA PRO A 25 13.723 9.384 -0.875 1.00 0.00 C ATOM 397 C PRO A 25 13.143 10.587 -1.637 1.00 0.00 C ATOM 398 O PRO A 25 13.722 11.661 -1.603 1.00 0.00 O ATOM 399 CB PRO A 25 15.130 9.054 -1.380 1.00 0.00 C ATOM 400 CG PRO A 25 14.978 7.876 -2.366 1.00 0.00 C ATOM 401 CD PRO A 25 13.640 7.194 -2.037 1.00 0.00 C ATOM 0 HA PRO A 25 13.691 9.683 0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.577 9.917 -1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.786 8.785 -0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.989 8.230 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.806 7.175 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.045 7.033 -2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.795 6.217 -1.579 1.00 0.00 H new ATOM 409 N THR A 26 12.020 10.429 -2.313 1.00 0.00 N ATOM 410 CA THR A 26 11.419 11.583 -3.066 1.00 0.00 C ATOM 411 C THR A 26 10.464 12.348 -2.144 1.00 0.00 C ATOM 412 O THR A 26 10.357 12.051 -0.965 1.00 0.00 O ATOM 413 CB THR A 26 10.642 11.089 -4.301 1.00 0.00 C ATOM 414 OG1 THR A 26 11.118 9.811 -4.706 1.00 0.00 O ATOM 415 CG2 THR A 26 10.826 12.085 -5.452 1.00 0.00 C ATOM 0 H THR A 26 11.498 9.555 -2.374 1.00 0.00 H new ATOM 0 HA THR A 26 12.226 12.236 -3.400 1.00 0.00 H new ATOM 0 HB THR A 26 9.586 11.010 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.871 9.142 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.277 11.736 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.448 13.062 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.885 12.166 -5.697 1.00 0.00 H new ATOM 423 N SER A 27 9.771 13.326 -2.686 1.00 0.00 N ATOM 424 CA SER A 27 8.803 14.135 -1.875 1.00 0.00 C ATOM 425 C SER A 27 7.477 13.375 -1.732 1.00 0.00 C ATOM 426 O SER A 27 6.694 13.657 -0.840 1.00 0.00 O ATOM 427 CB SER A 27 8.547 15.469 -2.573 1.00 0.00 C ATOM 428 OG SER A 27 7.965 15.228 -3.848 1.00 0.00 O ATOM 0 H SER A 27 9.837 13.600 -3.666 1.00 0.00 H new ATOM 0 HA SER A 27 9.225 14.311 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.883 16.087 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.481 16.019 -2.685 1.00 0.00 H new ATOM 0 HG SER A 27 7.798 16.082 -4.298 1.00 0.00 H new ATOM 434 N LEU A 28 7.230 12.417 -2.606 1.00 0.00 N ATOM 435 CA LEU A 28 5.965 11.619 -2.547 1.00 0.00 C ATOM 436 C LEU A 28 6.003 10.729 -1.308 1.00 0.00 C ATOM 437 O LEU A 28 4.988 10.498 -0.668 1.00 0.00 O ATOM 438 CB LEU A 28 5.864 10.750 -3.805 1.00 0.00 C ATOM 439 CG LEU A 28 4.542 9.977 -3.805 1.00 0.00 C ATOM 440 CD1 LEU A 28 3.390 10.933 -4.122 1.00 0.00 C ATOM 441 CD2 LEU A 28 4.600 8.881 -4.871 1.00 0.00 C ATOM 0 H LEU A 28 7.862 12.156 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 28 5.101 12.282 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.928 11.376 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.702 10.054 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 28 4.381 9.529 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.449 10.382 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.351 11.718 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.548 11.381 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.661 8.327 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.759 9.334 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.422 8.200 -4.648 1.00 0.00 H new ATOM 453 N PHE A 29 7.173 10.236 -0.975 1.00 0.00 N ATOM 454 CA PHE A 29 7.330 9.356 0.220 1.00 0.00 C ATOM 455 C PHE A 29 8.027 10.139 1.339 1.00 0.00 C ATOM 456 O PHE A 29 7.803 9.886 2.508 1.00 0.00 O ATOM 457 CB PHE A 29 8.148 8.124 -0.171 1.00 0.00 C ATOM 458 CG PHE A 29 7.236 7.131 -0.854 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.322 6.384 -0.100 1.00 0.00 C ATOM 460 CD2 PHE A 29 7.298 6.963 -2.244 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.471 5.469 -0.736 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.446 6.050 -2.878 1.00 0.00 C ATOM 463 CZ PHE A 29 5.534 5.304 -2.124 1.00 0.00 C ATOM 0 H PHE A 29 8.036 10.411 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 29 6.354 9.030 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.963 8.408 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.600 7.675 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.273 6.513 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.003 7.538 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.767 4.892 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.493 5.922 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.878 4.600 -2.614 1.00 0.00 H new ATOM 473 N ASP A 30 8.846 11.108 0.978 1.00 0.00 N ATOM 474 CA ASP A 30 9.550 11.955 1.998 1.00 0.00 C ATOM 475 C ASP A 30 10.387 11.082 2.959 1.00 0.00 C ATOM 476 O ASP A 30 10.442 11.334 4.157 1.00 0.00 O ATOM 477 CB ASP A 30 8.493 12.754 2.781 1.00 0.00 C ATOM 478 CG ASP A 30 8.477 14.207 2.301 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.538 14.808 2.262 1.00 0.00 O ATOM 480 OD2 ASP A 30 7.405 14.693 1.983 1.00 0.00 O ATOM 0 H ASP A 30 9.057 11.348 0.009 1.00 0.00 H new ATOM 0 HA ASP A 30 10.235 12.636 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.509 12.305 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.713 12.717 3.848 1.00 0.00 H new ATOM 485 N CYS A 31 11.055 10.071 2.438 1.00 0.00 N ATOM 486 CA CYS A 31 11.915 9.181 3.296 1.00 0.00 C ATOM 487 C CYS A 31 11.090 8.621 4.478 1.00 0.00 C ATOM 488 O CYS A 31 11.502 8.678 5.631 1.00 0.00 O ATOM 489 CB CYS A 31 13.110 10.002 3.816 1.00 0.00 C ATOM 490 SG CYS A 31 14.603 9.584 2.875 1.00 0.00 S ATOM 0 H CYS A 31 11.041 9.823 1.449 1.00 0.00 H new ATOM 0 HA CYS A 31 12.278 8.339 2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 31 12.898 11.067 3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.268 9.799 4.875 1.00 0.00 H new ATOM 495 N LYS A 32 9.927 8.071 4.189 1.00 0.00 N ATOM 496 CA LYS A 32 9.057 7.495 5.263 1.00 0.00 C ATOM 497 C LYS A 32 9.744 6.274 5.875 1.00 0.00 C ATOM 498 O LYS A 32 10.699 5.756 5.324 1.00 0.00 O ATOM 499 CB LYS A 32 7.710 7.084 4.666 1.00 0.00 C ATOM 500 CG LYS A 32 6.730 8.253 4.773 1.00 0.00 C ATOM 501 CD LYS A 32 6.193 8.341 6.203 1.00 0.00 C ATOM 502 CE LYS A 32 5.151 9.463 6.295 1.00 0.00 C ATOM 503 NZ LYS A 32 3.845 9.004 5.729 1.00 0.00 N ATOM 0 H LYS A 32 9.545 7.998 3.246 1.00 0.00 H new ATOM 0 HA LYS A 32 8.893 8.243 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.835 6.794 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.316 6.215 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.228 9.184 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.907 8.116 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.745 7.391 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.011 8.533 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.020 9.763 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.502 10.341 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.130 9.748 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.957 8.804 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.538 8.140 6.220 1.00 0.00 H new ATOM 517 N ASP A 33 9.262 5.829 7.015 1.00 0.00 N ATOM 518 CA ASP A 33 9.873 4.643 7.710 1.00 0.00 C ATOM 519 C ASP A 33 9.772 3.392 6.829 1.00 0.00 C ATOM 520 O ASP A 33 10.764 2.725 6.588 1.00 0.00 O ATOM 521 CB ASP A 33 9.169 4.393 9.054 1.00 0.00 C ATOM 522 CG ASP A 33 7.649 4.461 8.883 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.155 5.531 8.570 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.006 3.440 9.069 1.00 0.00 O ATOM 0 H ASP A 33 8.464 6.240 7.499 1.00 0.00 H new ATOM 0 HA ASP A 33 10.926 4.858 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.454 3.416 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.492 5.135 9.784 1.00 0.00 H new ATOM 529 N LYS A 34 8.586 3.069 6.353 1.00 0.00 N ATOM 530 CA LYS A 34 8.419 1.858 5.484 1.00 0.00 C ATOM 531 C LYS A 34 7.078 1.915 4.747 1.00 0.00 C ATOM 532 O LYS A 34 6.195 2.675 5.111 1.00 0.00 O ATOM 533 CB LYS A 34 8.483 0.593 6.345 1.00 0.00 C ATOM 534 CG LYS A 34 7.391 0.638 7.416 1.00 0.00 C ATOM 535 CD LYS A 34 7.846 -0.156 8.641 1.00 0.00 C ATOM 536 CE LYS A 34 6.631 -0.506 9.501 1.00 0.00 C ATOM 537 NZ LYS A 34 6.396 0.582 10.494 1.00 0.00 N ATOM 0 H LYS A 34 7.729 3.593 6.530 1.00 0.00 H new ATOM 0 HA LYS A 34 9.224 1.837 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.355 -0.290 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.463 0.511 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.183 1.671 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.464 0.221 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.358 -1.066 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.560 0.428 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.751 -0.635 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.796 -1.453 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.411 0.542 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.040 0.460 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.573 1.504 10.047 1.00 0.00 H new ATOM 551 N ASN A 35 6.933 1.106 3.719 1.00 0.00 N ATOM 552 CA ASN A 35 5.659 1.079 2.932 1.00 0.00 C ATOM 553 C ASN A 35 5.462 -0.307 2.314 1.00 0.00 C ATOM 554 O ASN A 35 6.331 -0.811 1.621 1.00 0.00 O ATOM 555 CB ASN A 35 5.726 2.128 1.821 1.00 0.00 C ATOM 556 CG ASN A 35 5.082 3.429 2.306 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.684 4.176 3.053 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.875 3.733 1.911 1.00 0.00 N ATOM 0 H ASN A 35 7.650 0.459 3.391 1.00 0.00 H new ATOM 0 HA ASN A 35 4.821 1.300 3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.763 2.307 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.211 1.764 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.437 4.597 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.370 3.106 1.284 1.00 0.00 H new ATOM 565 N THR A 36 4.320 -0.917 2.563 1.00 0.00 N ATOM 566 CA THR A 36 4.027 -2.273 2.000 1.00 0.00 C ATOM 567 C THR A 36 3.129 -2.121 0.771 1.00 0.00 C ATOM 568 O THR A 36 2.008 -1.646 0.874 1.00 0.00 O ATOM 569 CB THR A 36 3.311 -3.125 3.052 1.00 0.00 C ATOM 570 OG1 THR A 36 4.006 -3.033 4.287 1.00 0.00 O ATOM 571 CG2 THR A 36 3.273 -4.583 2.590 1.00 0.00 C ATOM 0 H THR A 36 3.574 -0.525 3.138 1.00 0.00 H new ATOM 0 HA THR A 36 4.960 -2.761 1.718 1.00 0.00 H new ATOM 0 HB THR A 36 2.292 -2.762 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.548 -3.576 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.763 -5.189 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.738 -4.651 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.291 -4.950 2.458 1.00 0.00 H new ATOM 579 N PHE A 37 3.621 -2.515 -0.385 1.00 0.00 N ATOM 580 CA PHE A 37 2.820 -2.398 -1.645 1.00 0.00 C ATOM 581 C PHE A 37 2.199 -3.755 -1.991 1.00 0.00 C ATOM 582 O PHE A 37 2.640 -4.786 -1.510 1.00 0.00 O ATOM 583 CB PHE A 37 3.733 -1.945 -2.789 1.00 0.00 C ATOM 584 CG PHE A 37 4.459 -0.682 -2.386 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.733 0.444 -1.982 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.859 -0.640 -2.409 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.404 1.612 -1.603 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.530 0.528 -2.029 1.00 0.00 C ATOM 589 CZ PHE A 37 5.803 1.655 -1.625 1.00 0.00 C ATOM 0 H PHE A 37 4.551 -2.915 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 37 2.025 -1.666 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.451 -2.729 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.145 -1.767 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.654 0.412 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.420 -1.509 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.842 2.481 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.609 0.560 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.321 2.556 -1.331 1.00 0.00 H new ATOM 599 N ILE A 38 1.181 -3.748 -2.828 1.00 0.00 N ATOM 600 CA ILE A 38 0.501 -5.018 -3.239 1.00 0.00 C ATOM 601 C ILE A 38 0.708 -5.239 -4.737 1.00 0.00 C ATOM 602 O ILE A 38 0.659 -4.301 -5.519 1.00 0.00 O ATOM 603 CB ILE A 38 -1.000 -4.911 -2.951 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.229 -4.476 -1.493 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.661 -6.269 -3.197 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.606 -5.492 -0.528 1.00 0.00 C ATOM 0 H ILE A 38 0.791 -2.904 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 38 0.923 -5.853 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.441 -4.166 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.791 -3.492 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.297 -4.387 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.729 -6.196 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.509 -6.565 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.216 -7.015 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.777 -5.170 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.064 -6.469 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.466 -5.560 -0.714 1.00 0.00 H new ATOM 618 N TYR A 39 0.934 -6.474 -5.132 1.00 0.00 N ATOM 619 CA TYR A 39 1.146 -6.792 -6.578 1.00 0.00 C ATOM 620 C TYR A 39 -0.171 -7.321 -7.172 1.00 0.00 C ATOM 621 O TYR A 39 -0.306 -8.495 -7.498 1.00 0.00 O ATOM 622 CB TYR A 39 2.257 -7.841 -6.710 1.00 0.00 C ATOM 623 CG TYR A 39 2.615 -8.009 -8.166 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.331 -7.007 -8.832 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.231 -9.168 -8.848 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.665 -7.167 -10.182 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.563 -9.328 -10.199 1.00 0.00 C ATOM 628 CZ TYR A 39 3.280 -8.327 -10.866 1.00 0.00 C ATOM 629 OH TYR A 39 3.610 -8.486 -12.196 1.00 0.00 O ATOM 0 H TYR A 39 0.980 -7.278 -4.507 1.00 0.00 H new ATOM 0 HA TYR A 39 1.446 -5.896 -7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.134 -7.532 -6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.926 -8.792 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.625 -6.112 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.678 -9.940 -8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.220 -6.396 -10.696 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.266 -10.223 -10.726 1.00 0.00 H new ATOM 0 HH TYR A 39 3.268 -9.346 -12.517 1.00 0.00 H new ATOM 639 N SER A 40 -1.146 -6.447 -7.308 1.00 0.00 N ATOM 640 CA SER A 40 -2.474 -6.847 -7.872 1.00 0.00 C ATOM 641 C SER A 40 -2.981 -5.757 -8.816 1.00 0.00 C ATOM 642 O SER A 40 -2.338 -4.737 -9.002 1.00 0.00 O ATOM 643 CB SER A 40 -3.479 -7.034 -6.734 1.00 0.00 C ATOM 644 OG SER A 40 -3.477 -5.875 -5.911 1.00 0.00 O ATOM 0 H SER A 40 -1.074 -5.463 -7.048 1.00 0.00 H new ATOM 0 HA SER A 40 -2.363 -7.782 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.477 -7.205 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.219 -7.913 -6.145 1.00 0.00 H new ATOM 0 HG SER A 40 -4.121 -5.991 -5.182 1.00 0.00 H new ATOM 650 N LEU A 41 -4.135 -5.979 -9.403 1.00 0.00 N ATOM 651 CA LEU A 41 -4.729 -4.981 -10.345 1.00 0.00 C ATOM 652 C LEU A 41 -5.941 -4.311 -9.673 1.00 0.00 C ATOM 653 O LEU A 41 -6.517 -4.882 -8.763 1.00 0.00 O ATOM 654 CB LEU A 41 -5.176 -5.692 -11.625 1.00 0.00 C ATOM 655 CG LEU A 41 -3.968 -6.375 -12.279 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.398 -7.715 -12.878 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.409 -5.482 -13.390 1.00 0.00 C ATOM 0 H LEU A 41 -4.695 -6.820 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.987 -4.223 -10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.944 -6.430 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.620 -4.975 -12.316 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.199 -6.541 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.538 -8.199 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.793 -8.356 -12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.169 -7.547 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.551 -5.970 -13.852 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.179 -5.312 -14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.098 -4.527 -12.967 1.00 0.00 H new ATOM 669 N PRO A 42 -6.300 -3.119 -10.133 1.00 0.00 N ATOM 670 CA PRO A 42 -7.445 -2.368 -9.572 1.00 0.00 C ATOM 671 C PRO A 42 -8.780 -2.987 -10.009 1.00 0.00 C ATOM 672 O PRO A 42 -9.826 -2.614 -9.503 1.00 0.00 O ATOM 673 CB PRO A 42 -7.275 -0.958 -10.145 1.00 0.00 C ATOM 674 CG PRO A 42 -6.400 -1.102 -11.409 1.00 0.00 C ATOM 675 CD PRO A 42 -5.619 -2.418 -11.252 1.00 0.00 C ATOM 0 HA PRO A 42 -7.461 -2.378 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.242 -0.520 -10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.801 -0.298 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.017 -1.122 -12.308 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.719 -0.256 -11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.648 -3.009 -12.167 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.569 -2.233 -11.025 1.00 0.00 H new ATOM 683 N GLY A 43 -8.748 -3.929 -10.934 1.00 0.00 N ATOM 684 CA GLY A 43 -10.006 -4.584 -11.407 1.00 0.00 C ATOM 685 C GLY A 43 -10.665 -5.336 -10.238 1.00 0.00 C ATOM 686 O GLY A 43 -11.754 -4.975 -9.829 1.00 0.00 O ATOM 0 H GLY A 43 -7.896 -4.269 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.691 -3.835 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.785 -5.276 -12.220 1.00 0.00 H new ATOM 690 N PRO A 44 -9.995 -6.366 -9.730 1.00 0.00 N ATOM 691 CA PRO A 44 -10.519 -7.173 -8.610 1.00 0.00 C ATOM 692 C PRO A 44 -10.327 -6.443 -7.279 1.00 0.00 C ATOM 693 O PRO A 44 -11.087 -6.645 -6.346 1.00 0.00 O ATOM 694 CB PRO A 44 -9.679 -8.451 -8.652 1.00 0.00 C ATOM 695 CG PRO A 44 -8.369 -8.088 -9.389 1.00 0.00 C ATOM 696 CD PRO A 44 -8.664 -6.821 -10.213 1.00 0.00 C ATOM 0 HA PRO A 44 -11.588 -7.368 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.471 -8.812 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.210 -9.248 -9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.562 -7.909 -8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.049 -8.905 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.902 -6.058 -10.055 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.682 -7.037 -11.281 1.00 0.00 H new ATOM 704 N VAL A 45 -9.320 -5.597 -7.192 1.00 0.00 N ATOM 705 CA VAL A 45 -9.065 -4.842 -5.925 1.00 0.00 C ATOM 706 C VAL A 45 -10.173 -3.803 -5.747 1.00 0.00 C ATOM 707 O VAL A 45 -10.927 -3.849 -4.789 1.00 0.00 O ATOM 708 CB VAL A 45 -7.691 -4.161 -6.000 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.454 -3.297 -4.755 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.604 -5.235 -6.072 1.00 0.00 C ATOM 0 H VAL A 45 -8.665 -5.400 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.065 -5.520 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.658 -3.527 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.476 -2.821 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.227 -2.531 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.491 -3.924 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.625 -4.759 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.654 -5.863 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.758 -5.849 -6.959 1.00 0.00 H new ATOM 720 N LYS A 46 -10.273 -2.883 -6.677 1.00 0.00 N ATOM 721 CA LYS A 46 -11.329 -1.829 -6.607 1.00 0.00 C ATOM 722 C LYS A 46 -12.710 -2.484 -6.711 1.00 0.00 C ATOM 723 O LYS A 46 -13.695 -1.933 -6.246 1.00 0.00 O ATOM 724 CB LYS A 46 -11.143 -0.839 -7.756 1.00 0.00 C ATOM 725 CG LYS A 46 -11.826 0.482 -7.400 1.00 0.00 C ATOM 726 CD LYS A 46 -11.836 1.402 -8.624 1.00 0.00 C ATOM 727 CE LYS A 46 -12.568 2.708 -8.288 1.00 0.00 C ATOM 728 NZ LYS A 46 -11.678 3.865 -8.586 1.00 0.00 N ATOM 0 H LYS A 46 -9.660 -2.819 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.249 -1.298 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.082 -0.675 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.568 -1.245 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.846 0.296 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.301 0.964 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.814 1.617 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.327 0.904 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.487 2.783 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.855 2.717 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.173 4.751 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.813 3.794 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.426 3.858 -9.595 1.00 0.00 H new ATOM 742 N ALA A 47 -12.784 -3.656 -7.319 1.00 0.00 N ATOM 743 CA ALA A 47 -14.094 -4.370 -7.462 1.00 0.00 C ATOM 744 C ALA A 47 -14.691 -4.630 -6.077 1.00 0.00 C ATOM 745 O ALA A 47 -15.897 -4.577 -5.897 1.00 0.00 O ATOM 746 CB ALA A 47 -13.869 -5.702 -8.179 1.00 0.00 C ATOM 0 H ALA A 47 -11.985 -4.146 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.782 -3.755 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.820 -6.224 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.445 -5.517 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.181 -6.316 -7.598 1.00 0.00 H new ATOM 752 N LEU A 48 -13.847 -4.908 -5.103 1.00 0.00 N ATOM 753 CA LEU A 48 -14.334 -5.176 -3.713 1.00 0.00 C ATOM 754 C LEU A 48 -15.042 -3.928 -3.178 1.00 0.00 C ATOM 755 O LEU A 48 -16.026 -4.025 -2.462 1.00 0.00 O ATOM 756 CB LEU A 48 -13.135 -5.525 -2.813 1.00 0.00 C ATOM 757 CG LEU A 48 -13.297 -6.944 -2.261 1.00 0.00 C ATOM 758 CD1 LEU A 48 -11.982 -7.399 -1.625 1.00 0.00 C ATOM 759 CD2 LEU A 48 -14.405 -6.954 -1.204 1.00 0.00 C ATOM 0 H LEU A 48 -12.835 -4.960 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.033 -6.012 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.208 -5.450 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.065 -4.811 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.560 -7.622 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.098 -8.409 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.192 -7.390 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.717 -6.722 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.522 -7.963 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.140 -6.276 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.342 -6.630 -1.656 1.00 0.00 H new ATOM 771 N CYS A 49 -14.540 -2.763 -3.527 1.00 0.00 N ATOM 772 CA CYS A 49 -15.156 -1.480 -3.060 1.00 0.00 C ATOM 773 C CYS A 49 -16.383 -1.135 -3.912 1.00 0.00 C ATOM 774 O CYS A 49 -17.178 -0.292 -3.531 1.00 0.00 O ATOM 775 CB CYS A 49 -14.127 -0.355 -3.171 1.00 0.00 C ATOM 776 SG CYS A 49 -13.113 -0.319 -1.670 1.00 0.00 S ATOM 0 H CYS A 49 -13.720 -2.648 -4.123 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.470 -1.595 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.496 -0.509 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.631 0.602 -3.306 1.00 0.00 H new ATOM 781 N ARG A 50 -16.543 -1.776 -5.058 1.00 0.00 N ATOM 782 CA ARG A 50 -17.720 -1.492 -5.940 1.00 0.00 C ATOM 783 C ARG A 50 -19.015 -1.740 -5.153 1.00 0.00 C ATOM 784 O ARG A 50 -19.522 -2.852 -5.105 1.00 0.00 O ATOM 785 CB ARG A 50 -17.662 -2.410 -7.169 1.00 0.00 C ATOM 786 CG ARG A 50 -18.012 -1.614 -8.428 1.00 0.00 C ATOM 787 CD ARG A 50 -18.139 -2.571 -9.614 1.00 0.00 C ATOM 788 NE ARG A 50 -18.649 -1.829 -10.799 1.00 0.00 N ATOM 789 CZ ARG A 50 -18.458 -2.306 -11.997 1.00 0.00 C ATOM 790 NH1 ARG A 50 -18.684 -3.568 -12.239 1.00 0.00 N ATOM 791 NH2 ARG A 50 -18.040 -1.521 -12.951 1.00 0.00 N ATOM 0 H ARG A 50 -15.902 -2.485 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.698 -0.453 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.665 -2.841 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.358 -3.240 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.947 -1.073 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.241 -0.870 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.170 -3.017 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.816 -3.388 -9.365 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.148 -0.948 -10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.010 -4.180 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.535 -3.942 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.863 -0.535 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.890 -1.893 -13.889 1.00 0.00 H new ATOM 805 N GLY A 51 -19.537 -0.706 -4.528 1.00 0.00 N ATOM 806 CA GLY A 51 -20.792 -0.842 -3.722 1.00 0.00 C ATOM 807 C GLY A 51 -20.639 -0.120 -2.376 1.00 0.00 C ATOM 808 O GLY A 51 -21.622 0.126 -1.696 1.00 0.00 O ATOM 0 H GLY A 51 -19.141 0.234 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.634 -0.424 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.013 -1.896 -3.554 1.00 0.00 H new ATOM 812 N VAL A 52 -19.419 0.210 -1.986 1.00 0.00 N ATOM 813 CA VAL A 52 -19.187 0.912 -0.683 1.00 0.00 C ATOM 814 C VAL A 52 -19.184 2.429 -0.909 1.00 0.00 C ATOM 815 O VAL A 52 -18.530 2.926 -1.811 1.00 0.00 O ATOM 816 CB VAL A 52 -17.834 0.480 -0.110 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.643 1.095 1.277 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.789 -1.047 0.005 1.00 0.00 C ATOM 0 H VAL A 52 -18.573 0.019 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.982 0.653 0.016 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.039 0.821 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.680 0.786 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.673 2.182 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.440 0.756 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.826 -1.353 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.587 -1.386 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.922 -1.490 -0.982 1.00 0.00 H new ATOM 828 N ILE A 53 -19.913 3.156 -0.086 1.00 0.00 N ATOM 829 CA ILE A 53 -19.977 4.648 -0.210 1.00 0.00 C ATOM 830 C ILE A 53 -19.417 5.280 1.071 1.00 0.00 C ATOM 831 O ILE A 53 -18.702 6.266 1.021 1.00 0.00 O ATOM 832 CB ILE A 53 -21.436 5.078 -0.409 1.00 0.00 C ATOM 833 CG1 ILE A 53 -21.980 4.445 -1.692 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.526 6.603 -0.531 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.434 3.015 -1.406 1.00 0.00 C ATOM 0 H ILE A 53 -20.472 2.770 0.675 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.387 4.977 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.021 4.750 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.815 5.033 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -21.211 4.445 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.566 6.896 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.139 7.064 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -20.937 6.935 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.821 2.566 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.588 2.430 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -23.217 3.027 -0.648 1.00 0.00 H new ATOM 847 N PHE A 54 -19.743 4.705 2.208 1.00 0.00 N ATOM 848 CA PHE A 54 -19.247 5.235 3.517 1.00 0.00 C ATOM 849 C PHE A 54 -17.985 4.472 3.933 1.00 0.00 C ATOM 850 O PHE A 54 -17.571 3.537 3.267 1.00 0.00 O ATOM 851 CB PHE A 54 -20.329 5.051 4.584 1.00 0.00 C ATOM 852 CG PHE A 54 -21.502 5.952 4.279 1.00 0.00 C ATOM 853 CD1 PHE A 54 -22.400 5.614 3.259 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.692 7.125 5.019 1.00 0.00 C ATOM 855 CE1 PHE A 54 -23.489 6.451 2.979 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.779 7.961 4.738 1.00 0.00 C ATOM 857 CZ PHE A 54 -23.678 7.624 3.720 1.00 0.00 C ATOM 0 H PHE A 54 -20.339 3.881 2.282 1.00 0.00 H new ATOM 0 HA PHE A 54 -19.013 6.295 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.654 4.011 4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.925 5.284 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -22.254 4.709 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -21.000 7.385 5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -24.182 6.191 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -22.924 8.867 5.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 -24.518 8.269 3.506 1.00 0.00 H new ATOM 867 N SER A 55 -17.378 4.878 5.027 1.00 0.00 N ATOM 868 CA SER A 55 -16.133 4.206 5.518 1.00 0.00 C ATOM 869 C SER A 55 -16.474 2.835 6.106 1.00 0.00 C ATOM 870 O SER A 55 -17.241 2.731 7.049 1.00 0.00 O ATOM 871 CB SER A 55 -15.483 5.073 6.597 1.00 0.00 C ATOM 872 OG SER A 55 -16.424 5.313 7.636 1.00 0.00 O ATOM 0 H SER A 55 -17.698 5.655 5.605 1.00 0.00 H new ATOM 0 HA SER A 55 -15.444 4.075 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.600 4.574 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.148 6.018 6.168 1.00 0.00 H new ATOM 0 HG SER A 55 -17.049 4.560 7.692 1.00 0.00 H new ATOM 878 N ALA A 56 -15.888 1.790 5.557 1.00 0.00 N ATOM 879 CA ALA A 56 -16.138 0.403 6.063 1.00 0.00 C ATOM 880 C ALA A 56 -14.814 -0.359 6.053 1.00 0.00 C ATOM 881 O ALA A 56 -13.908 -0.004 5.326 1.00 0.00 O ATOM 882 CB ALA A 56 -17.149 -0.300 5.155 1.00 0.00 C ATOM 0 H ALA A 56 -15.240 1.844 4.771 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.540 0.438 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.330 -1.309 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.085 0.258 5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.753 -0.351 4.141 1.00 0.00 H new ATOM 888 N ASP A 57 -14.694 -1.395 6.854 1.00 0.00 N ATOM 889 CA ASP A 57 -13.415 -2.175 6.900 1.00 0.00 C ATOM 890 C ASP A 57 -13.522 -3.398 5.989 1.00 0.00 C ATOM 891 O ASP A 57 -14.415 -4.217 6.140 1.00 0.00 O ATOM 892 CB ASP A 57 -13.145 -2.627 8.337 1.00 0.00 C ATOM 893 CG ASP A 57 -14.352 -3.404 8.867 1.00 0.00 C ATOM 894 OD1 ASP A 57 -15.326 -2.768 9.235 1.00 0.00 O ATOM 895 OD2 ASP A 57 -14.282 -4.622 8.894 1.00 0.00 O ATOM 0 H ASP A 57 -15.427 -1.733 7.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.595 -1.544 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.254 -3.253 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.950 -1.762 8.970 1.00 0.00 H new ATOM 900 N VAL A 58 -12.611 -3.513 5.046 1.00 0.00 N ATOM 901 CA VAL A 58 -12.620 -4.670 4.097 1.00 0.00 C ATOM 902 C VAL A 58 -11.361 -5.513 4.317 1.00 0.00 C ATOM 903 O VAL A 58 -10.395 -5.052 4.902 1.00 0.00 O ATOM 904 CB VAL A 58 -12.639 -4.146 2.657 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.729 -5.320 1.678 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.850 -3.230 2.463 1.00 0.00 C ATOM 0 H VAL A 58 -11.855 -2.845 4.895 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.505 -5.282 4.272 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.722 -3.588 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.742 -4.941 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.866 -5.973 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.643 -5.883 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.864 -2.857 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.765 -3.790 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.785 -2.390 3.154 1.00 0.00 H new ATOM 916 N LEU A 59 -11.377 -6.740 3.843 1.00 0.00 N ATOM 917 CA LEU A 59 -10.197 -7.645 3.997 1.00 0.00 C ATOM 918 C LEU A 59 -10.066 -8.511 2.742 1.00 0.00 C ATOM 919 O LEU A 59 -11.032 -9.112 2.301 1.00 0.00 O ATOM 920 CB LEU A 59 -10.400 -8.544 5.220 1.00 0.00 C ATOM 921 CG LEU A 59 -9.951 -7.808 6.483 1.00 0.00 C ATOM 922 CD1 LEU A 59 -10.846 -8.216 7.655 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.500 -8.175 6.798 1.00 0.00 C ATOM 0 H LEU A 59 -12.169 -7.154 3.351 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.292 -7.052 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.449 -8.826 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.831 -9.466 5.104 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.027 -6.732 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.527 -7.692 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.880 -7.956 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.769 -9.292 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.179 -7.651 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.423 -9.251 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.862 -7.886 5.963 1.00 0.00 H new ATOM 935 N SER A 60 -8.880 -8.573 2.168 1.00 0.00 N ATOM 936 CA SER A 60 -8.667 -9.396 0.933 1.00 0.00 C ATOM 937 C SER A 60 -8.986 -10.861 1.235 1.00 0.00 C ATOM 938 O SER A 60 -8.708 -11.352 2.317 1.00 0.00 O ATOM 939 CB SER A 60 -7.215 -9.271 0.472 1.00 0.00 C ATOM 940 OG SER A 60 -6.356 -9.791 1.477 1.00 0.00 O ATOM 0 H SER A 60 -8.050 -8.086 2.506 1.00 0.00 H new ATOM 0 HA SER A 60 -9.326 -9.036 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.070 -9.813 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.973 -8.227 0.275 1.00 0.00 H new ATOM 0 HG SER A 60 -6.057 -10.688 1.220 1.00 0.00 H new ATOM 946 N ASN A 61 -9.572 -11.550 0.280 1.00 0.00 N ATOM 947 CA ASN A 61 -9.934 -12.990 0.474 1.00 0.00 C ATOM 948 C ASN A 61 -8.744 -13.877 0.103 1.00 0.00 C ATOM 949 O ASN A 61 -8.565 -14.948 0.662 1.00 0.00 O ATOM 950 CB ASN A 61 -11.127 -13.330 -0.424 1.00 0.00 C ATOM 951 CG ASN A 61 -11.581 -14.767 -0.159 1.00 0.00 C ATOM 952 OD1 ASN A 61 -11.327 -15.652 -0.952 1.00 0.00 O ATOM 953 ND2 ASN A 61 -12.247 -15.037 0.930 1.00 0.00 N ATOM 0 H ASN A 61 -9.816 -11.169 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.196 -13.164 1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.947 -12.638 -0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.850 -13.214 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.555 -15.991 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.460 -14.294 1.595 1.00 0.00 H new ATOM 960 N SER A 62 -7.940 -13.437 -0.843 1.00 0.00 N ATOM 961 CA SER A 62 -6.754 -14.240 -1.281 1.00 0.00 C ATOM 962 C SER A 62 -5.467 -13.469 -0.982 1.00 0.00 C ATOM 963 O SER A 62 -5.407 -12.262 -1.155 1.00 0.00 O ATOM 964 CB SER A 62 -6.849 -14.505 -2.783 1.00 0.00 C ATOM 965 OG SER A 62 -8.181 -14.880 -3.111 1.00 0.00 O ATOM 0 H SER A 62 -8.059 -12.549 -1.331 1.00 0.00 H new ATOM 0 HA SER A 62 -6.740 -15.186 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.563 -13.613 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.155 -15.296 -3.069 1.00 0.00 H new ATOM 0 HG SER A 62 -8.246 -15.049 -4.074 1.00 0.00 H new ATOM 971 N GLU A 63 -4.442 -14.168 -0.541 1.00 0.00 N ATOM 972 CA GLU A 63 -3.134 -13.513 -0.225 1.00 0.00 C ATOM 973 C GLU A 63 -2.443 -13.119 -1.530 1.00 0.00 C ATOM 974 O GLU A 63 -2.348 -13.917 -2.449 1.00 0.00 O ATOM 975 CB GLU A 63 -2.244 -14.491 0.546 1.00 0.00 C ATOM 976 CG GLU A 63 -2.785 -14.667 1.967 1.00 0.00 C ATOM 977 CD GLU A 63 -2.154 -15.908 2.603 1.00 0.00 C ATOM 978 OE1 GLU A 63 -1.000 -15.829 2.989 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.837 -16.914 2.692 1.00 0.00 O ATOM 0 H GLU A 63 -4.460 -15.176 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.307 -12.625 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.216 -15.453 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.220 -14.118 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.560 -13.784 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.870 -14.768 1.945 1.00 0.00 H new ATOM 986 N PHE A 64 -1.960 -11.897 -1.610 1.00 0.00 N ATOM 987 CA PHE A 64 -1.263 -11.423 -2.852 1.00 0.00 C ATOM 988 C PHE A 64 0.225 -11.259 -2.559 1.00 0.00 C ATOM 989 O PHE A 64 0.649 -11.309 -1.412 1.00 0.00 O ATOM 990 CB PHE A 64 -1.811 -10.060 -3.308 1.00 0.00 C ATOM 991 CG PHE A 64 -3.310 -9.983 -3.106 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.150 -10.924 -3.712 1.00 0.00 C ATOM 993 CD2 PHE A 64 -3.855 -8.965 -2.314 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.537 -10.848 -3.525 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.241 -8.888 -2.127 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.081 -9.830 -2.733 1.00 0.00 C ATOM 0 H PHE A 64 -2.020 -11.205 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.431 -12.160 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.323 -9.262 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.574 -9.902 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.730 -11.709 -4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.206 -8.239 -1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.186 -11.574 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.661 -8.103 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.150 -9.771 -2.589 1.00 0.00 H new ATOM 1006 N TYR A 65 1.006 -11.030 -3.590 1.00 0.00 N ATOM 1007 CA TYR A 65 2.471 -10.818 -3.406 1.00 0.00 C ATOM 1008 C TYR A 65 2.651 -9.434 -2.788 1.00 0.00 C ATOM 1009 O TYR A 65 1.858 -8.540 -3.041 1.00 0.00 O ATOM 1010 CB TYR A 65 3.181 -10.903 -4.757 1.00 0.00 C ATOM 1011 CG TYR A 65 3.477 -12.352 -5.069 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.423 -13.250 -5.280 1.00 0.00 C ATOM 1013 CD2 TYR A 65 4.802 -12.797 -5.139 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.696 -14.594 -5.563 1.00 0.00 C ATOM 1015 CE2 TYR A 65 5.074 -14.142 -5.421 1.00 0.00 C ATOM 1016 CZ TYR A 65 4.021 -15.040 -5.634 1.00 0.00 C ATOM 1017 OH TYR A 65 4.291 -16.365 -5.911 1.00 0.00 O ATOM 0 H TYR A 65 0.684 -10.981 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 65 2.901 -11.581 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.556 -10.470 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.106 -10.327 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.401 -12.906 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.614 -12.104 -4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.884 -15.287 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.096 -14.486 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 65 5.261 -16.505 -5.924 1.00 0.00 H new ATOM 1027 N LEU A 66 3.653 -9.260 -1.954 1.00 0.00 N ATOM 1028 CA LEU A 66 3.847 -7.937 -1.283 1.00 0.00 C ATOM 1029 C LEU A 66 5.255 -7.392 -1.515 1.00 0.00 C ATOM 1030 O LEU A 66 6.239 -7.981 -1.095 1.00 0.00 O ATOM 1031 CB LEU A 66 3.618 -8.097 0.224 1.00 0.00 C ATOM 1032 CG LEU A 66 2.281 -8.801 0.476 1.00 0.00 C ATOM 1033 CD1 LEU A 66 2.149 -9.124 1.965 1.00 0.00 C ATOM 1034 CD2 LEU A 66 1.132 -7.884 0.051 1.00 0.00 C ATOM 0 H LEU A 66 4.340 -9.974 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 66 3.132 -7.234 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.431 -8.673 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.621 -7.120 0.707 1.00 0.00 H new ATOM 0 HG LEU A 66 2.242 -9.724 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.198 -9.625 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.967 -9.777 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.188 -8.200 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.181 -8.385 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.170 -6.961 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.225 -7.652 -1.010 1.00 0.00 H new ATOM 1046 N ALA A 67 5.334 -6.242 -2.145 1.00 0.00 N ATOM 1047 CA ALA A 67 6.645 -5.572 -2.390 1.00 0.00 C ATOM 1048 C ALA A 67 6.729 -4.404 -1.409 1.00 0.00 C ATOM 1049 O ALA A 67 6.062 -3.398 -1.586 1.00 0.00 O ATOM 1050 CB ALA A 67 6.703 -5.050 -3.829 1.00 0.00 C ATOM 0 H ALA A 67 4.527 -5.733 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 67 7.474 -6.265 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.663 -4.562 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.590 -5.883 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.898 -4.333 -3.989 1.00 0.00 H new ATOM 1056 N GLU A 68 7.507 -4.554 -0.357 1.00 0.00 N ATOM 1057 CA GLU A 68 7.604 -3.474 0.678 1.00 0.00 C ATOM 1058 C GLU A 68 8.976 -2.811 0.667 1.00 0.00 C ATOM 1059 O GLU A 68 9.943 -3.345 0.148 1.00 0.00 O ATOM 1060 CB GLU A 68 7.347 -4.062 2.072 1.00 0.00 C ATOM 1061 CG GLU A 68 8.126 -5.372 2.249 1.00 0.00 C ATOM 1062 CD GLU A 68 8.506 -5.548 3.719 1.00 0.00 C ATOM 1063 OE1 GLU A 68 9.225 -4.706 4.230 1.00 0.00 O ATOM 1064 OE2 GLU A 68 8.072 -6.525 4.310 1.00 0.00 O ATOM 0 H GLU A 68 8.078 -5.379 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 68 6.852 -2.722 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.647 -3.346 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.281 -4.244 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.520 -6.215 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.023 -5.360 1.630 1.00 0.00 H new ATOM 1071 N CYS A 69 9.043 -1.646 1.266 1.00 0.00 N ATOM 1072 CA CYS A 69 10.316 -0.874 1.359 1.00 0.00 C ATOM 1073 C CYS A 69 10.606 -0.620 2.836 1.00 0.00 C ATOM 1074 O CYS A 69 9.928 0.173 3.468 1.00 0.00 O ATOM 1075 CB CYS A 69 10.149 0.471 0.646 1.00 0.00 C ATOM 1076 SG CYS A 69 10.390 0.266 -1.138 1.00 0.00 S ATOM 0 H CYS A 69 8.244 -1.189 1.705 1.00 0.00 H new ATOM 0 HA CYS A 69 11.131 -1.430 0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.156 0.874 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.868 1.190 1.037 1.00 0.00 H new ATOM 1081 N ASN A 70 11.589 -1.294 3.392 1.00 0.00 N ATOM 1082 CA ASN A 70 11.915 -1.106 4.842 1.00 0.00 C ATOM 1083 C ASN A 70 13.194 -0.283 4.992 1.00 0.00 C ATOM 1084 O ASN A 70 14.217 -0.606 4.410 1.00 0.00 O ATOM 1085 CB ASN A 70 12.108 -2.473 5.501 1.00 0.00 C ATOM 1086 CG ASN A 70 11.915 -2.339 7.013 1.00 0.00 C ATOM 1087 OD1 ASN A 70 12.865 -2.415 7.768 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.717 -2.140 7.490 1.00 0.00 N ATOM 0 H ASN A 70 12.179 -1.966 2.902 1.00 0.00 H new ATOM 0 HA ASN A 70 11.094 -0.577 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.394 -3.189 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.105 -2.857 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.577 -2.048 8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.920 -2.076 6.857 1.00 0.00 H new ATOM 1095 N VAL A 71 13.135 0.772 5.776 1.00 0.00 N ATOM 1096 CA VAL A 71 14.333 1.638 5.995 1.00 0.00 C ATOM 1097 C VAL A 71 15.224 0.992 7.059 1.00 0.00 C ATOM 1098 O VAL A 71 14.810 0.810 8.194 1.00 0.00 O ATOM 1099 CB VAL A 71 13.880 3.028 6.464 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.097 3.922 6.728 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.015 3.673 5.380 1.00 0.00 C ATOM 0 H VAL A 71 12.297 1.069 6.276 1.00 0.00 H new ATOM 0 HA VAL A 71 14.893 1.743 5.066 1.00 0.00 H new ATOM 0 HB VAL A 71 13.307 2.919 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.762 4.905 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.719 3.471 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.677 4.027 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.692 4.660 5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.594 3.770 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.141 3.049 5.193 1.00 0.00 H new ATOM 1111 N LYS A 72 16.444 0.651 6.693 1.00 0.00 N ATOM 1112 CA LYS A 72 17.391 0.015 7.663 1.00 0.00 C ATOM 1113 C LYS A 72 17.606 0.966 8.858 1.00 0.00 C ATOM 1114 O LYS A 72 17.521 2.169 8.689 1.00 0.00 O ATOM 1115 CB LYS A 72 18.725 -0.261 6.965 1.00 0.00 C ATOM 1116 CG LYS A 72 18.650 -1.606 6.238 1.00 0.00 C ATOM 1117 CD LYS A 72 19.165 -2.715 7.159 1.00 0.00 C ATOM 1118 CE LYS A 72 19.619 -3.914 6.321 1.00 0.00 C ATOM 1119 NZ LYS A 72 18.553 -4.956 6.327 1.00 0.00 N ATOM 0 H LYS A 72 16.822 0.789 5.756 1.00 0.00 H new ATOM 0 HA LYS A 72 16.977 -0.927 8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.949 0.536 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.534 -0.274 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.622 -1.814 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.245 -1.572 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.995 -2.345 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.380 -3.019 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.828 -3.599 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.545 -4.324 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.861 -5.771 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.374 -5.264 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.680 -4.562 5.923 1.00 0.00 H new ATOM 1133 N PRO A 73 17.865 0.410 10.038 1.00 0.00 N ATOM 1134 CA PRO A 73 18.074 1.213 11.262 1.00 0.00 C ATOM 1135 C PRO A 73 19.470 1.845 11.279 1.00 0.00 C ATOM 1136 O PRO A 73 20.438 1.238 10.856 1.00 0.00 O ATOM 1137 CB PRO A 73 17.921 0.196 12.396 1.00 0.00 C ATOM 1138 CG PRO A 73 18.203 -1.193 11.779 1.00 0.00 C ATOM 1139 CD PRO A 73 17.977 -1.056 10.264 1.00 0.00 C ATOM 0 HA PRO A 73 17.374 2.044 11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.618 0.410 13.206 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.918 0.236 12.820 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.224 -1.511 11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.540 -1.947 12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.805 -1.483 9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.073 -1.577 9.948 1.00 0.00 H new ATOM 1147 N ARG A 74 19.558 3.065 11.771 1.00 0.00 N ATOM 1148 CA ARG A 74 20.866 3.790 11.849 1.00 0.00 C ATOM 1149 C ARG A 74 21.432 3.985 10.439 1.00 0.00 C ATOM 1150 O ARG A 74 22.639 4.035 10.240 1.00 0.00 O ATOM 1151 CB ARG A 74 21.844 2.990 12.718 1.00 0.00 C ATOM 1152 CG ARG A 74 21.508 3.224 14.192 1.00 0.00 C ATOM 1153 CD ARG A 74 22.441 2.391 15.072 1.00 0.00 C ATOM 1154 NE ARG A 74 21.745 2.043 16.342 1.00 0.00 N ATOM 1155 CZ ARG A 74 22.255 2.408 17.487 1.00 0.00 C ATOM 1156 NH1 ARG A 74 23.160 1.665 18.061 1.00 0.00 N ATOM 1157 NH2 ARG A 74 21.866 3.517 18.054 1.00 0.00 N ATOM 0 H ARG A 74 18.762 3.594 12.127 1.00 0.00 H new ATOM 0 HA ARG A 74 20.717 4.770 12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.777 1.928 12.481 1.00 0.00 H new ATOM 0 HB3 ARG A 74 22.869 3.298 12.512 1.00 0.00 H new ATOM 0 HG2 ARG A 74 21.611 4.282 14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.470 2.952 14.386 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.739 1.483 14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.352 2.950 15.285 1.00 0.00 H new ATOM 0 HE ARG A 74 20.870 1.520 16.317 1.00 0.00 H new ATOM 0 HH11 ARG A 74 23.468 0.801 17.615 1.00 0.00 H new ATOM 0 HH12 ARG A 74 23.560 1.948 18.956 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.162 4.101 17.603 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.266 3.800 18.949 1.00 0.00 H new ATOM 1171 N LYS A 75 20.557 4.110 9.465 1.00 0.00 N ATOM 1172 CA LYS A 75 21.000 4.319 8.052 1.00 0.00 C ATOM 1173 C LYS A 75 20.426 5.658 7.541 1.00 0.00 C ATOM 1174 O LYS A 75 19.306 5.994 7.882 1.00 0.00 O ATOM 1175 CB LYS A 75 20.487 3.162 7.183 1.00 0.00 C ATOM 1176 CG LYS A 75 21.660 2.269 6.763 1.00 0.00 C ATOM 1177 CD LYS A 75 22.100 1.413 7.953 1.00 0.00 C ATOM 1178 CE LYS A 75 23.583 1.063 7.815 1.00 0.00 C ATOM 1179 NZ LYS A 75 23.820 0.387 6.508 1.00 0.00 N ATOM 0 H LYS A 75 19.546 4.075 9.594 1.00 0.00 H new ATOM 0 HA LYS A 75 22.088 4.347 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.753 2.577 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.982 3.554 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.365 1.630 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.491 2.882 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.929 1.952 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.504 0.502 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.188 1.967 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.891 0.412 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.746 -0.086 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.074 -0.318 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.806 1.093 5.744 1.00 0.00 H new ATOM 1193 N PRO A 76 21.203 6.396 6.745 1.00 0.00 N ATOM 1194 CA PRO A 76 20.761 7.699 6.206 1.00 0.00 C ATOM 1195 C PRO A 76 19.786 7.507 5.028 1.00 0.00 C ATOM 1196 O PRO A 76 20.154 7.609 3.866 1.00 0.00 O ATOM 1197 CB PRO A 76 22.066 8.371 5.760 1.00 0.00 C ATOM 1198 CG PRO A 76 23.089 7.235 5.536 1.00 0.00 C ATOM 1199 CD PRO A 76 22.572 6.011 6.316 1.00 0.00 C ATOM 0 HA PRO A 76 20.215 8.299 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.915 8.943 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.421 9.070 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.185 7.005 4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.077 7.529 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.556 5.119 5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.208 5.788 7.172 1.00 0.00 H new ATOM 1207 N CYS A 77 18.536 7.244 5.345 1.00 0.00 N ATOM 1208 CA CYS A 77 17.477 7.051 4.300 1.00 0.00 C ATOM 1209 C CYS A 77 17.818 5.865 3.370 1.00 0.00 C ATOM 1210 O CYS A 77 17.608 5.924 2.166 1.00 0.00 O ATOM 1211 CB CYS A 77 17.317 8.350 3.492 1.00 0.00 C ATOM 1212 SG CYS A 77 16.052 9.390 4.275 1.00 0.00 S ATOM 0 H CYS A 77 18.201 7.154 6.304 1.00 0.00 H new ATOM 0 HA CYS A 77 16.534 6.815 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.266 8.884 3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.032 8.121 2.465 1.00 0.00 H new ATOM 1217 N LYS A 78 18.295 4.771 3.937 1.00 0.00 N ATOM 1218 CA LYS A 78 18.606 3.547 3.122 1.00 0.00 C ATOM 1219 C LYS A 78 17.412 2.603 3.243 1.00 0.00 C ATOM 1220 O LYS A 78 16.719 2.618 4.247 1.00 0.00 O ATOM 1221 CB LYS A 78 19.870 2.861 3.646 1.00 0.00 C ATOM 1222 CG LYS A 78 21.031 3.860 3.659 1.00 0.00 C ATOM 1223 CD LYS A 78 21.357 4.294 2.225 1.00 0.00 C ATOM 1224 CE LYS A 78 22.397 5.415 2.251 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.754 4.837 2.468 1.00 0.00 N ATOM 0 H LYS A 78 18.482 4.677 4.935 1.00 0.00 H new ATOM 0 HA LYS A 78 18.782 3.819 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.697 2.477 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.119 2.007 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.768 4.730 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.908 3.406 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.736 3.446 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.452 4.636 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.373 5.968 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.162 6.124 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.458 5.602 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.774 4.328 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.978 4.177 1.696 1.00 0.00 H new ATOM 1239 N TYR A 79 17.138 1.822 2.217 1.00 0.00 N ATOM 1240 CA TYR A 79 15.937 0.917 2.254 1.00 0.00 C ATOM 1241 C TYR A 79 16.316 -0.513 1.872 1.00 0.00 C ATOM 1242 O TYR A 79 17.427 -0.781 1.445 1.00 0.00 O ATOM 1243 CB TYR A 79 14.868 1.445 1.282 1.00 0.00 C ATOM 1244 CG TYR A 79 14.877 2.960 1.300 1.00 0.00 C ATOM 1245 CD1 TYR A 79 14.596 3.639 2.489 1.00 0.00 C ATOM 1246 CD2 TYR A 79 15.203 3.675 0.143 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.640 5.037 2.523 1.00 0.00 C ATOM 1248 CE2 TYR A 79 15.243 5.074 0.180 1.00 0.00 C ATOM 1249 CZ TYR A 79 14.962 5.752 1.368 1.00 0.00 C ATOM 1250 OH TYR A 79 15.004 7.126 1.397 1.00 0.00 O ATOM 0 H TYR A 79 17.691 1.773 1.361 1.00 0.00 H new ATOM 0 HA TYR A 79 15.543 0.907 3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.066 1.081 0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 79 13.884 1.073 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 79 14.345 3.085 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 79 15.423 3.150 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 79 14.425 5.562 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 79 15.492 5.630 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 79 14.814 7.440 2.306 1.00 0.00 H new ATOM 1260 N LYS A 80 15.381 -1.426 2.035 1.00 0.00 N ATOM 1261 CA LYS A 80 15.622 -2.863 1.706 1.00 0.00 C ATOM 1262 C LYS A 80 14.369 -3.442 1.040 1.00 0.00 C ATOM 1263 O LYS A 80 13.270 -3.299 1.551 1.00 0.00 O ATOM 1264 CB LYS A 80 15.916 -3.630 2.998 1.00 0.00 C ATOM 1265 CG LYS A 80 16.603 -4.955 2.667 1.00 0.00 C ATOM 1266 CD LYS A 80 15.550 -5.985 2.254 1.00 0.00 C ATOM 1267 CE LYS A 80 15.954 -7.375 2.754 1.00 0.00 C ATOM 1268 NZ LYS A 80 16.316 -8.230 1.589 1.00 0.00 N ATOM 0 H LYS A 80 14.446 -1.226 2.389 1.00 0.00 H new ATOM 0 HA LYS A 80 16.470 -2.953 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.553 -3.032 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.989 -3.816 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.323 -4.812 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.160 -5.315 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.579 -5.710 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.445 -5.996 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.798 -7.297 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.133 -7.827 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.343 -9.227 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.607 -8.111 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.251 -7.950 1.230 1.00 0.00 H new ATOM 1282 N LEU A 81 14.534 -4.087 -0.097 1.00 0.00 N ATOM 1283 CA LEU A 81 13.368 -4.681 -0.826 1.00 0.00 C ATOM 1284 C LEU A 81 12.964 -5.999 -0.159 1.00 0.00 C ATOM 1285 O LEU A 81 13.785 -6.886 0.011 1.00 0.00 O ATOM 1286 CB LEU A 81 13.771 -4.945 -2.283 1.00 0.00 C ATOM 1287 CG LEU A 81 12.609 -4.614 -3.230 1.00 0.00 C ATOM 1288 CD1 LEU A 81 11.392 -5.479 -2.887 1.00 0.00 C ATOM 1289 CD2 LEU A 81 12.239 -3.132 -3.103 1.00 0.00 C ATOM 0 H LEU A 81 15.436 -4.226 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 81 12.525 -3.991 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.641 -4.342 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.060 -5.989 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 81 12.918 -4.821 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.572 -5.238 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.653 -6.532 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.084 -5.283 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.414 -2.904 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.939 -2.919 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.101 -2.518 -3.364 1.00 0.00 H new ATOM 1301 N LYS A 82 11.705 -6.125 0.221 1.00 0.00 N ATOM 1302 CA LYS A 82 11.230 -7.379 0.888 1.00 0.00 C ATOM 1303 C LYS A 82 10.002 -7.938 0.160 1.00 0.00 C ATOM 1304 O LYS A 82 9.017 -7.246 -0.030 1.00 0.00 O ATOM 1305 CB LYS A 82 10.866 -7.068 2.345 1.00 0.00 C ATOM 1306 CG LYS A 82 11.996 -7.537 3.269 1.00 0.00 C ATOM 1307 CD LYS A 82 11.677 -8.938 3.814 1.00 0.00 C ATOM 1308 CE LYS A 82 11.448 -8.869 5.327 1.00 0.00 C ATOM 1309 NZ LYS A 82 11.678 -10.215 5.926 1.00 0.00 N ATOM 0 H LYS A 82 10.990 -5.409 0.095 1.00 0.00 H new ATOM 0 HA LYS A 82 12.025 -8.124 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.702 -5.998 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.934 -7.566 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.940 -7.555 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.118 -6.835 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.790 -9.336 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.498 -9.620 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.123 -8.140 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.432 -8.534 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.523 -10.169 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.017 -10.899 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.655 -10.517 5.737 1.00 0.00 H new ATOM 1323 N LYS A 83 10.068 -9.197 -0.227 1.00 0.00 N ATOM 1324 CA LYS A 83 8.924 -9.859 -0.929 1.00 0.00 C ATOM 1325 C LYS A 83 8.191 -10.758 0.069 1.00 0.00 C ATOM 1326 O LYS A 83 8.817 -11.385 0.910 1.00 0.00 O ATOM 1327 CB LYS A 83 9.454 -10.709 -2.087 1.00 0.00 C ATOM 1328 CG LYS A 83 10.528 -11.675 -1.573 1.00 0.00 C ATOM 1329 CD LYS A 83 10.868 -12.693 -2.665 1.00 0.00 C ATOM 1330 CE LYS A 83 12.221 -13.344 -2.363 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.965 -13.556 -3.638 1.00 0.00 N ATOM 0 H LYS A 83 10.880 -9.797 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 83 8.243 -9.104 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.637 -11.268 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.871 -10.065 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.422 -11.122 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.172 -12.189 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.091 -13.456 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.900 -12.201 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.800 -12.710 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.073 -14.296 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.884 -13.998 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.413 -14.177 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.118 -12.640 -4.107 1.00 0.00 H new ATOM 1345 N SER A 84 6.878 -10.819 -0.017 1.00 0.00 N ATOM 1346 CA SER A 84 6.088 -11.673 0.929 1.00 0.00 C ATOM 1347 C SER A 84 4.713 -11.986 0.333 1.00 0.00 C ATOM 1348 O SER A 84 4.409 -11.606 -0.783 1.00 0.00 O ATOM 1349 CB SER A 84 5.922 -10.928 2.258 1.00 0.00 C ATOM 1350 OG SER A 84 6.440 -11.731 3.311 1.00 0.00 O ATOM 0 H SER A 84 6.321 -10.312 -0.704 1.00 0.00 H new ATOM 0 HA SER A 84 6.617 -12.611 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.446 -9.973 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.870 -10.708 2.436 1.00 0.00 H new ATOM 0 HG SER A 84 6.338 -11.258 4.163 1.00 0.00 H new ATOM 1356 N SER A 85 3.894 -12.681 1.089 1.00 0.00 N ATOM 1357 CA SER A 85 2.520 -13.049 0.621 1.00 0.00 C ATOM 1358 C SER A 85 1.562 -12.995 1.812 1.00 0.00 C ATOM 1359 O SER A 85 1.777 -13.663 2.811 1.00 0.00 O ATOM 1360 CB SER A 85 2.542 -14.465 0.041 1.00 0.00 C ATOM 1361 OG SER A 85 2.673 -14.391 -1.373 1.00 0.00 O ATOM 0 H SER A 85 4.125 -13.013 2.025 1.00 0.00 H new ATOM 0 HA SER A 85 2.190 -12.352 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.371 -15.032 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.626 -14.993 0.306 1.00 0.00 H new ATOM 0 HG SER A 85 2.689 -15.296 -1.748 1.00 0.00 H new ATOM 1367 N ASN A 86 0.514 -12.199 1.712 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.465 -12.083 2.839 1.00 0.00 C ATOM 1369 C ASN A 86 -1.693 -11.286 2.394 1.00 0.00 C ATOM 1370 O ASN A 86 -1.724 -10.732 1.308 1.00 0.00 O ATOM 1371 CB ASN A 86 0.204 -11.369 4.015 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.402 -11.868 5.328 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -1.148 -11.063 6.033 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -0.197 -13.002 5.714 1.00 0.00 N flip ATOM 0 H ASN A 86 0.299 -11.627 0.896 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.782 -13.081 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.278 -11.556 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.067 -10.291 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.386 -13.631 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.608 -13.325 6.590 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.696 -11.227 3.245 1.00 0.00 N ATOM 1382 CA ARG A 87 -3.948 -10.470 2.926 1.00 0.00 C ATOM 1383 C ARG A 87 -3.785 -9.012 3.362 1.00 0.00 C ATOM 1384 O ARG A 87 -2.705 -8.602 3.762 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.121 -11.105 3.676 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.411 -12.488 3.086 1.00 0.00 C ATOM 1387 CD ARG A 87 -5.768 -13.463 4.209 1.00 0.00 C ATOM 1388 NE ARG A 87 -7.151 -13.185 4.687 1.00 0.00 N ATOM 1389 CZ ARG A 87 -8.072 -14.100 4.569 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.314 -14.634 3.403 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -8.751 -14.481 5.617 1.00 0.00 N ATOM 0 H ARG A 87 -2.696 -11.679 4.159 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.139 -10.505 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.885 -11.192 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.004 -10.471 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.232 -12.424 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.540 -12.851 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.695 -14.490 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.060 -13.362 5.032 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.377 -12.282 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.783 -14.335 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.034 -15.350 3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.561 -14.063 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.472 -15.197 5.525 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.844 -8.228 3.285 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.753 -6.788 3.689 1.00 0.00 C ATOM 1407 C ILE A 88 -6.107 -6.279 4.185 1.00 0.00 C ATOM 1408 O ILE A 88 -7.147 -6.621 3.647 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.301 -5.949 2.489 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -5.198 -6.250 1.284 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.853 -6.297 2.144 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -5.257 -5.023 0.370 1.00 0.00 C ATOM 0 H ILE A 88 -5.763 -8.527 2.960 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.029 -6.698 4.499 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.374 -4.890 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.810 -7.108 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.200 -6.514 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.529 -5.701 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.213 -6.082 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.783 -7.356 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.895 -5.238 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.665 -4.177 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.253 -4.780 0.023 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.079 -5.446 5.201 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.332 -4.858 5.770 1.00 0.00 C ATOM 1426 C CYS A 89 -7.331 -3.359 5.462 1.00 0.00 C ATOM 1427 O CYS A 89 -6.423 -2.647 5.860 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.350 -5.080 7.285 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.025 -4.823 7.922 1.00 0.00 S ATOM 0 H CYS A 89 -5.223 -5.145 5.667 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.213 -5.329 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.013 -6.090 7.518 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.657 -4.393 7.771 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.860 -4.747 6.929 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.322 -2.886 4.732 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.370 -1.432 4.356 1.00 0.00 C ATOM 1436 C ILE A 90 -9.738 -0.823 4.680 1.00 0.00 C ATOM 1437 O ILE A 90 -10.737 -1.521 4.745 1.00 0.00 O ATOM 1438 CB ILE A 90 -8.108 -1.302 2.853 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -9.081 -2.209 2.086 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.668 -1.724 2.550 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.889 -2.034 0.574 1.00 0.00 C ATOM 0 H ILE A 90 -9.099 -3.446 4.381 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.611 -0.898 4.928 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.256 -0.267 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.914 -3.250 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -10.108 -1.967 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.479 -1.632 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.978 -1.081 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.520 -2.759 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.585 -2.682 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.079 -0.996 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.867 -2.299 0.304 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.779 0.487 4.846 1.00 0.00 N ATOM 1454 CA ARG A 91 -11.066 1.194 5.126 1.00 0.00 C ATOM 1455 C ARG A 91 -11.552 1.766 3.797 1.00 0.00 C ATOM 1456 O ARG A 91 -10.860 2.562 3.183 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.827 2.321 6.135 1.00 0.00 C ATOM 1458 CG ARG A 91 -12.169 2.843 6.652 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.925 3.894 7.740 1.00 0.00 C ATOM 1460 NE ARG A 91 -11.610 3.216 9.029 1.00 0.00 N ATOM 1461 CZ ARG A 91 -11.680 3.882 10.149 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -12.776 4.515 10.466 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -10.651 3.920 10.951 1.00 0.00 N ATOM 0 H ARG A 91 -8.962 1.096 4.797 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.808 0.517 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.223 1.956 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.268 3.130 5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.742 3.278 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.761 2.020 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.102 4.547 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.807 4.524 7.855 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.340 2.232 9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.579 4.490 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.829 5.035 11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.792 3.429 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.706 4.441 11.826 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.706 1.331 3.326 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.207 1.806 1.998 1.00 0.00 C ATOM 1479 C CYS A 92 -14.375 2.781 2.131 1.00 0.00 C ATOM 1480 O CYS A 92 -15.247 2.634 2.969 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.657 0.604 1.167 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.950 1.132 -0.541 1.00 0.00 S ATOM 0 H CYS A 92 -13.316 0.670 3.807 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.387 2.333 1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.896 -0.176 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.567 0.176 1.589 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.383 3.757 1.258 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.468 4.782 1.210 1.00 0.00 C ATOM 1489 C GLU A 93 -15.402 5.433 -0.170 1.00 0.00 C ATOM 1490 O GLU A 93 -14.336 5.521 -0.756 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.277 5.838 2.303 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.815 6.295 2.343 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.740 7.717 2.900 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -13.989 7.884 4.082 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.436 8.616 2.134 1.00 0.00 O ATOM 0 H GLU A 93 -13.657 3.888 0.554 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.438 4.316 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.928 6.691 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.564 5.427 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.228 5.618 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.385 6.262 1.342 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.526 5.851 -0.706 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.544 6.463 -2.075 1.00 0.00 C ATOM 1504 C HIS A 94 -16.048 5.418 -3.092 1.00 0.00 C ATOM 1505 O HIS A 94 -15.582 5.759 -4.168 1.00 0.00 O ATOM 1506 CB HIS A 94 -15.623 7.691 -2.106 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.433 8.941 -1.908 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -17.648 9.142 -2.543 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.212 10.067 -1.156 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.106 10.350 -2.167 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.269 10.957 -1.321 1.00 0.00 N ATOM 0 H HIS A 94 -17.437 5.794 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.558 6.774 -2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.867 7.609 -1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.094 7.736 -3.058 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.348 10.237 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.038 10.777 -2.508 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.381 11.874 -0.889 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.152 4.142 -2.749 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.699 3.044 -3.663 1.00 0.00 C ATOM 1521 C GLU A 95 -14.169 3.107 -3.832 1.00 0.00 C ATOM 1522 O GLU A 95 -13.640 2.920 -4.919 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.401 3.184 -5.025 1.00 0.00 C ATOM 1524 CG GLU A 95 -16.552 1.800 -5.667 1.00 0.00 C ATOM 1525 CD GLU A 95 -16.302 1.901 -7.174 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -17.098 2.536 -7.846 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -15.317 1.343 -7.629 1.00 0.00 O ATOM 0 H GLU A 95 -16.538 3.820 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.961 2.078 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.380 3.645 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.824 3.839 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.847 1.101 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.552 1.409 -5.480 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.458 3.364 -2.749 1.00 0.00 N ATOM 1535 CA LEU A 96 -11.960 3.435 -2.811 1.00 0.00 C ATOM 1536 C LEU A 96 -11.372 3.438 -1.380 1.00 0.00 C ATOM 1537 O LEU A 96 -11.795 4.237 -0.564 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.520 4.713 -3.549 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.292 5.936 -3.034 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.500 6.619 -1.912 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.496 6.923 -4.187 1.00 0.00 C ATOM 0 H LEU A 96 -13.856 3.527 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.591 2.564 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.450 4.868 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.688 4.596 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.259 5.616 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.054 7.486 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.351 5.917 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.531 6.941 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.044 7.794 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.526 7.238 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.063 6.441 -4.983 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.404 2.555 -1.105 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.759 2.479 0.225 1.00 0.00 C ATOM 1555 C PRO A 97 -8.800 3.651 0.409 1.00 0.00 C ATOM 1556 O PRO A 97 -7.860 3.822 -0.349 1.00 0.00 O ATOM 1557 CB PRO A 97 -9.012 1.145 0.203 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.797 0.791 -1.283 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.865 1.567 -2.073 1.00 0.00 C ATOM 0 HA PRO A 97 -10.469 2.534 1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.059 1.225 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.588 0.369 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.795 1.070 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.897 -0.282 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.433 2.060 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.648 0.903 -2.439 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.058 4.465 1.406 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.203 5.662 1.669 1.00 0.00 C ATOM 1569 C VAL A 98 -7.304 5.439 2.890 1.00 0.00 C ATOM 1570 O VAL A 98 -6.320 6.138 3.063 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.116 6.859 1.927 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.939 7.139 0.673 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -10.065 6.540 3.089 1.00 0.00 C ATOM 0 H VAL A 98 -9.835 4.347 2.056 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.564 5.840 0.804 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.512 7.731 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.593 7.993 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.271 7.361 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.542 6.264 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.716 7.395 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.671 5.670 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.483 6.328 3.986 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.647 4.495 3.744 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.823 4.250 4.972 1.00 0.00 C ATOM 1585 C HIS A 99 -6.404 2.782 5.062 1.00 0.00 C ATOM 1586 O HIS A 99 -7.117 1.894 4.628 1.00 0.00 O ATOM 1587 CB HIS A 99 -7.650 4.614 6.207 1.00 0.00 C ATOM 1588 CG HIS A 99 -7.717 6.111 6.344 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -8.892 6.819 6.144 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -6.766 7.047 6.667 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -8.620 8.122 6.348 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -7.339 8.316 6.669 1.00 0.00 N ATOM 0 H HIS A 99 -8.460 3.887 3.641 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.925 4.865 4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.655 4.201 6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.202 4.176 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.731 6.832 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.350 8.914 6.262 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.879 9.203 6.872 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.249 2.540 5.647 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.736 1.145 5.817 1.00 0.00 C ATOM 1602 C PHE A 100 -5.112 0.656 7.217 1.00 0.00 C ATOM 1603 O PHE A 100 -4.554 1.105 8.204 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.211 1.142 5.659 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.709 -0.280 5.530 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -3.266 -1.140 4.575 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.681 -0.733 6.365 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.795 -2.454 4.457 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.210 -2.046 6.247 1.00 0.00 C ATOM 1610 CZ PHE A 100 -1.767 -2.907 5.293 1.00 0.00 C ATOM 0 H PHE A 100 -4.634 3.265 6.018 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.173 0.488 5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.927 1.718 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.747 1.624 6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.058 -0.790 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.251 -0.069 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.225 -3.118 3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.417 -2.395 6.892 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.404 -3.920 5.202 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.064 -0.251 7.301 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.514 -0.782 8.626 1.00 0.00 C ATOM 1622 C ALA A 101 -5.418 -1.662 9.222 1.00 0.00 C ATOM 1623 O ALA A 101 -5.150 -1.608 10.411 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.782 -1.615 8.439 1.00 0.00 C ATOM 0 H ALA A 101 -6.551 -0.647 6.497 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.720 0.052 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.109 -2.001 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.568 -0.991 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.575 -2.447 7.766 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.790 -2.468 8.394 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.702 -3.373 8.878 1.00 0.00 C ATOM 1632 C GLY A 102 -3.395 -4.427 7.815 1.00 0.00 C ATOM 1633 O GLY A 102 -3.716 -4.253 6.650 1.00 0.00 O ATOM 0 H GLY A 102 -4.989 -2.536 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.805 -2.794 9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.005 -3.857 9.806 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.769 -5.512 8.218 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.410 -6.603 7.261 1.00 0.00 C ATOM 1639 C VAL A 103 -2.922 -7.950 7.791 1.00 0.00 C ATOM 1640 O VAL A 103 -2.871 -8.213 8.982 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.882 -6.640 7.107 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.224 -6.948 8.457 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.487 -7.717 6.091 1.00 0.00 C ATOM 0 H VAL A 103 -2.490 -5.686 9.183 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.871 -6.415 6.291 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.541 -5.666 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.859 -6.972 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.492 -6.175 9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.570 -7.916 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.598 -7.738 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.837 -8.690 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.940 -7.491 5.126 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.398 -8.798 6.904 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.909 -10.145 7.315 1.00 0.00 C ATOM 1655 C GLY A 104 -5.318 -10.017 7.900 1.00 0.00 C ATOM 1656 O GLY A 104 -6.302 -10.175 7.196 1.00 0.00 O ATOM 0 H GLY A 104 -3.454 -8.610 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.923 -10.815 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.239 -10.587 8.053 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.410 -9.743 9.186 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.745 -9.609 9.853 1.00 0.00 C ATOM 1662 C ILE A 105 -6.873 -8.219 10.482 1.00 0.00 C ATOM 1663 O ILE A 105 -5.900 -7.493 10.601 1.00 0.00 O ATOM 1664 CB ILE A 105 -6.881 -10.677 10.944 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -5.665 -10.620 11.873 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.960 -12.062 10.297 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -6.061 -11.104 13.269 1.00 0.00 C ATOM 0 H ILE A 105 -4.609 -9.606 9.803 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.532 -9.742 9.111 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.788 -10.491 11.520 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.862 -11.241 11.476 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.283 -9.601 11.926 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.057 -12.821 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.826 -12.106 9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.054 -12.246 9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.194 -11.062 13.928 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.849 -10.464 13.666 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.422 -12.131 13.209 1.00 0.00 H new