USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 105 SER OG : rot -119:sc= 0.608 USER MOD Set 1.2: A 108 THR OG1 : rot 86:sc= -0.315 USER MOD Set 1.3: A 163 ASN : amide:sc= -5.14! C(o=-4.8!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -143:sc= -8.77! (180deg=-14.2!) USER MOD Single : A 109 THR OG1 : rot -94:sc= -0.14 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot -15:sc= 0.266 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= 0.209 (180deg=-0.436) USER MOD Single : A 126 CYS SG : rot -53:sc= -5.22! USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 137 SER OG : rot -156:sc= 1.91 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= -0.54 USER MOD Single : A 150 SER OG : rot 40:sc= -1.62! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 HIS : no HD1:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.545 -6.890 3.522 1.00 0.00 N ATOM 2 CA LYS A 98 76.275 -5.709 2.651 1.00 0.00 C ATOM 3 C LYS A 98 74.929 -5.873 1.938 1.00 0.00 C ATOM 4 O LYS A 98 74.406 -6.963 1.820 1.00 0.00 O ATOM 5 CB LYS A 98 77.421 -5.691 1.635 1.00 0.00 C ATOM 6 CG LYS A 98 78.749 -5.969 2.347 1.00 0.00 C ATOM 7 CD LYS A 98 79.366 -7.255 1.794 1.00 0.00 C ATOM 8 CE LYS A 98 80.857 -7.033 1.527 1.00 0.00 C ATOM 9 NZ LYS A 98 81.304 -8.259 0.806 1.00 0.00 N ATOM 0 HA LYS A 98 76.222 -4.781 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.247 -6.441 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.461 -4.723 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.433 -5.133 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.585 -6.064 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 98 79.231 -8.071 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 98 78.860 -7.547 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 98 81.022 -6.139 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.409 -6.898 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.318 -8.183 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.141 -9.093 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 80.766 -8.357 -0.078 1.00 0.00 H new ATOM 23 N MET A 99 74.364 -4.796 1.460 1.00 0.00 N ATOM 24 CA MET A 99 73.054 -4.892 0.752 1.00 0.00 C ATOM 25 C MET A 99 72.963 -3.833 -0.347 1.00 0.00 C ATOM 26 O MET A 99 73.827 -2.990 -0.490 1.00 0.00 O ATOM 27 CB MET A 99 71.992 -4.624 1.817 1.00 0.00 C ATOM 28 CG MET A 99 72.221 -3.243 2.429 1.00 0.00 C ATOM 29 SD MET A 99 70.860 -2.831 3.551 1.00 0.00 S ATOM 30 CE MET A 99 69.485 -3.292 2.469 1.00 0.00 C ATOM 0 H MET A 99 74.752 -3.855 1.529 1.00 0.00 H new ATOM 0 HA MET A 99 72.925 -5.866 0.279 1.00 0.00 H new ATOM 0 HB2 MET A 99 70.997 -4.677 1.375 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.038 -5.389 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.167 -3.228 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.293 -2.494 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 99 68.662 -2.591 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 99 69.814 -3.264 1.430 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.150 -4.299 2.716 1.00 0.00 H new ATOM 40 N PHE A 100 71.909 -3.863 -1.112 1.00 0.00 N ATOM 41 CA PHE A 100 71.737 -2.856 -2.195 1.00 0.00 C ATOM 42 C PHE A 100 70.453 -2.060 -1.945 1.00 0.00 C ATOM 43 O PHE A 100 69.405 -2.619 -1.692 1.00 0.00 O ATOM 44 CB PHE A 100 71.640 -3.676 -3.484 1.00 0.00 C ATOM 45 CG PHE A 100 71.605 -2.757 -4.684 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.553 -1.845 -4.852 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.632 -2.819 -5.630 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.535 -0.996 -5.966 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.613 -1.971 -6.744 1.00 0.00 C ATOM 50 CZ PHE A 100 71.567 -1.060 -6.911 1.00 0.00 C ATOM 0 H PHE A 100 71.155 -4.545 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 100 72.554 -2.137 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.492 -4.352 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.743 -4.295 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 100 69.757 -1.797 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.442 -3.522 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 100 69.726 -0.293 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.407 -2.021 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.554 -0.405 -7.769 1.00 0.00 H new ATOM 60 N ILE A 101 70.529 -0.761 -2.003 1.00 0.00 N ATOM 61 CA ILE A 101 69.313 0.070 -1.756 1.00 0.00 C ATOM 62 C ILE A 101 68.964 0.861 -3.017 1.00 0.00 C ATOM 63 O ILE A 101 69.617 1.827 -3.356 1.00 0.00 O ATOM 64 CB ILE A 101 69.694 1.017 -0.610 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.623 0.301 0.382 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.427 1.465 0.121 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.005 -1.039 0.800 1.00 0.00 C ATOM 0 H ILE A 101 71.379 -0.236 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 101 68.442 -0.534 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 101 70.211 1.883 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.599 0.135 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.784 0.927 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.695 2.138 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.769 1.984 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.913 0.593 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.668 -1.542 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.040 -0.862 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.867 -1.666 -0.081 1.00 0.00 H new ATOM 79 N GLY A 102 67.946 0.452 -3.720 1.00 0.00 N ATOM 80 CA GLY A 102 67.569 1.177 -4.965 1.00 0.00 C ATOM 81 C GLY A 102 66.436 2.163 -4.677 1.00 0.00 C ATOM 82 O GLY A 102 65.507 1.865 -3.953 1.00 0.00 O ATOM 0 H GLY A 102 67.360 -0.350 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.434 1.710 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.257 0.465 -5.729 1.00 0.00 H new ATOM 86 N GLY A 103 66.503 3.336 -5.248 1.00 0.00 N ATOM 87 CA GLY A 103 65.431 4.344 -5.017 1.00 0.00 C ATOM 88 C GLY A 103 65.978 5.498 -4.175 1.00 0.00 C ATOM 89 O GLY A 103 65.274 6.080 -3.375 1.00 0.00 O ATOM 0 H GLY A 103 67.256 3.639 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.062 4.721 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.586 3.880 -4.509 1.00 0.00 H new ATOM 93 N LEU A 104 67.228 5.837 -4.346 1.00 0.00 N ATOM 94 CA LEU A 104 67.804 6.959 -3.547 1.00 0.00 C ATOM 95 C LEU A 104 67.497 8.299 -4.227 1.00 0.00 C ATOM 96 O LEU A 104 67.393 8.384 -5.435 1.00 0.00 O ATOM 97 CB LEU A 104 69.312 6.701 -3.512 1.00 0.00 C ATOM 98 CG LEU A 104 69.696 6.051 -2.179 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.176 6.902 -1.020 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.085 4.650 -2.102 1.00 0.00 C ATOM 0 H LEU A 104 67.871 5.390 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 104 67.384 7.008 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.599 6.052 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.854 7.638 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 104 70.782 5.979 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.451 6.436 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.615 7.898 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 104 68.091 6.979 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.357 4.186 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 104 68.000 4.722 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.462 4.043 -2.925 1.00 0.00 H new ATOM 112 N SER A 105 67.342 9.345 -3.460 1.00 0.00 N ATOM 113 CA SER A 105 67.031 10.676 -4.062 1.00 0.00 C ATOM 114 C SER A 105 68.287 11.299 -4.685 1.00 0.00 C ATOM 115 O SER A 105 69.390 11.110 -4.215 1.00 0.00 O ATOM 116 CB SER A 105 66.525 11.528 -2.895 1.00 0.00 C ATOM 117 OG SER A 105 67.290 12.725 -2.815 1.00 0.00 O ATOM 0 H SER A 105 67.417 9.336 -2.443 1.00 0.00 H new ATOM 0 HA SER A 105 66.296 10.601 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.471 11.766 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.604 10.970 -1.962 1.00 0.00 H new ATOM 0 HG SER A 105 67.739 12.769 -1.945 1.00 0.00 H new ATOM 123 N TRP A 106 68.119 12.047 -5.742 1.00 0.00 N ATOM 124 CA TRP A 106 69.291 12.690 -6.407 1.00 0.00 C ATOM 125 C TRP A 106 70.136 13.471 -5.395 1.00 0.00 C ATOM 126 O TRP A 106 71.270 13.813 -5.661 1.00 0.00 O ATOM 127 CB TRP A 106 68.680 13.645 -7.437 1.00 0.00 C ATOM 128 CG TRP A 106 69.511 13.638 -8.679 1.00 0.00 C ATOM 129 CD1 TRP A 106 70.863 13.655 -8.710 1.00 0.00 C ATOM 130 CD2 TRP A 106 69.069 13.614 -10.068 1.00 0.00 C ATOM 131 NE1 TRP A 106 71.280 13.642 -10.028 1.00 0.00 N ATOM 132 CE2 TRP A 106 70.212 13.617 -10.904 1.00 0.00 C ATOM 133 CE3 TRP A 106 67.803 13.589 -10.678 1.00 0.00 C ATOM 134 CZ2 TRP A 106 70.102 13.598 -12.294 1.00 0.00 C ATOM 135 CZ3 TRP A 106 67.688 13.569 -12.078 1.00 0.00 C ATOM 136 CH2 TRP A 106 68.835 13.574 -12.884 1.00 0.00 C ATOM 0 H TRP A 106 67.217 12.242 -6.176 1.00 0.00 H new ATOM 0 HA TRP A 106 69.954 11.954 -6.861 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.659 13.342 -7.668 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.628 14.654 -7.027 1.00 0.00 H new ATOM 0 HD1 TRP A 106 71.511 13.675 -7.846 1.00 0.00 H new ATOM 0 HE1 TRP A 106 72.258 13.650 -10.318 1.00 0.00 H new ATOM 0 HE3 TRP A 106 66.913 13.585 -10.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 70.989 13.602 -12.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 66.710 13.550 -12.536 1.00 0.00 H new ATOM 0 HH2 TRP A 106 68.740 13.559 -13.960 1.00 0.00 H new ATOM 147 N ASP A 107 69.598 13.771 -4.245 1.00 0.00 N ATOM 148 CA ASP A 107 70.389 14.542 -3.243 1.00 0.00 C ATOM 149 C ASP A 107 70.603 13.728 -1.962 1.00 0.00 C ATOM 150 O ASP A 107 70.625 14.268 -0.874 1.00 0.00 O ATOM 151 CB ASP A 107 69.547 15.785 -2.957 1.00 0.00 C ATOM 152 CG ASP A 107 70.448 17.021 -2.949 1.00 0.00 C ATOM 153 OD1 ASP A 107 71.315 17.092 -2.093 1.00 0.00 O ATOM 154 OD2 ASP A 107 70.257 17.874 -3.799 1.00 0.00 O ATOM 0 H ASP A 107 68.653 13.518 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 107 71.384 14.790 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.770 15.893 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.043 15.683 -1.996 1.00 0.00 H new ATOM 159 N THR A 108 70.773 12.438 -2.076 1.00 0.00 N ATOM 160 CA THR A 108 70.995 11.613 -0.850 1.00 0.00 C ATOM 161 C THR A 108 72.491 11.555 -0.519 1.00 0.00 C ATOM 162 O THR A 108 73.323 11.995 -1.286 1.00 0.00 O ATOM 163 CB THR A 108 70.466 10.220 -1.192 1.00 0.00 C ATOM 164 OG1 THR A 108 69.330 10.338 -2.035 1.00 0.00 O ATOM 165 CG2 THR A 108 70.073 9.492 0.094 1.00 0.00 C ATOM 0 H THR A 108 70.768 11.922 -2.956 1.00 0.00 H new ATOM 0 HA THR A 108 70.489 12.030 0.021 1.00 0.00 H new ATOM 0 HB THR A 108 71.243 9.654 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.621 10.406 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.696 8.499 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.945 9.400 0.741 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.297 10.058 0.610 1.00 0.00 H new ATOM 173 N THR A 109 72.838 11.019 0.620 1.00 0.00 N ATOM 174 CA THR A 109 74.280 10.936 0.997 1.00 0.00 C ATOM 175 C THR A 109 74.530 9.700 1.869 1.00 0.00 C ATOM 176 O THR A 109 73.610 9.041 2.309 1.00 0.00 O ATOM 177 CB THR A 109 74.561 12.214 1.791 1.00 0.00 C ATOM 178 OG1 THR A 109 73.780 12.214 2.980 1.00 0.00 O ATOM 179 CG2 THR A 109 74.208 13.437 0.943 1.00 0.00 C ATOM 0 H THR A 109 72.187 10.635 1.305 1.00 0.00 H new ATOM 0 HA THR A 109 74.927 10.848 0.124 1.00 0.00 H new ATOM 0 HB THR A 109 75.619 12.253 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.942 12.697 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 109 74.409 14.345 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.811 13.436 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 109 73.152 13.403 0.677 1.00 0.00 H new ATOM 187 N LYS A 110 75.769 9.383 2.124 1.00 0.00 N ATOM 188 CA LYS A 110 76.074 8.193 2.971 1.00 0.00 C ATOM 189 C LYS A 110 75.682 8.473 4.425 1.00 0.00 C ATOM 190 O LYS A 110 75.652 7.585 5.253 1.00 0.00 O ATOM 191 CB LYS A 110 77.589 7.998 2.846 1.00 0.00 C ATOM 192 CG LYS A 110 78.077 7.030 3.927 1.00 0.00 C ATOM 193 CD LYS A 110 78.836 7.806 5.006 1.00 0.00 C ATOM 194 CE LYS A 110 80.272 7.280 5.098 1.00 0.00 C ATOM 195 NZ LYS A 110 81.128 8.499 5.090 1.00 0.00 N ATOM 0 H LYS A 110 76.583 9.895 1.784 1.00 0.00 H new ATOM 0 HA LYS A 110 75.524 7.305 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.835 7.608 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 110 78.098 8.957 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.230 6.506 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.725 6.273 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 110 78.841 8.870 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 110 78.335 7.697 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.422 6.698 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 110 80.508 6.626 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 82.128 8.221 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 80.969 9.029 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.886 9.099 5.904 1.00 0.00 H new ATOM 209 N LYS A 111 75.382 9.702 4.740 1.00 0.00 N ATOM 210 CA LYS A 111 74.995 10.041 6.140 1.00 0.00 C ATOM 211 C LYS A 111 73.489 9.848 6.343 1.00 0.00 C ATOM 212 O LYS A 111 73.062 9.085 7.187 1.00 0.00 O ATOM 213 CB LYS A 111 75.381 11.509 6.309 1.00 0.00 C ATOM 214 CG LYS A 111 76.845 11.694 5.910 1.00 0.00 C ATOM 215 CD LYS A 111 77.153 13.186 5.763 1.00 0.00 C ATOM 216 CE LYS A 111 76.677 13.930 7.013 1.00 0.00 C ATOM 217 NZ LYS A 111 77.779 14.879 7.335 1.00 0.00 N ATOM 0 H LYS A 111 75.388 10.487 4.089 1.00 0.00 H new ATOM 0 HA LYS A 111 75.490 9.402 6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 111 74.741 12.139 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 111 75.232 11.820 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 111 77.496 11.250 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.045 11.177 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 111 78.224 13.335 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.657 13.585 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.742 14.458 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 111 76.495 13.241 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.528 15.428 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 78.654 14.347 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 77.925 15.526 6.534 1.00 0.00 H new ATOM 231 N ASP A 112 72.679 10.534 5.581 1.00 0.00 N ATOM 232 CA ASP A 112 71.205 10.379 5.745 1.00 0.00 C ATOM 233 C ASP A 112 70.794 8.927 5.481 1.00 0.00 C ATOM 234 O ASP A 112 69.866 8.418 6.080 1.00 0.00 O ATOM 235 CB ASP A 112 70.574 11.324 4.717 1.00 0.00 C ATOM 236 CG ASP A 112 71.287 11.188 3.372 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.665 10.080 3.032 1.00 0.00 O ATOM 238 OD2 ASP A 112 71.441 12.196 2.703 1.00 0.00 O ATOM 0 H ASP A 112 72.972 11.190 4.857 1.00 0.00 H new ATOM 0 HA ASP A 112 70.878 10.620 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.515 11.093 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.639 12.353 5.070 1.00 0.00 H new ATOM 243 N LEU A 113 71.481 8.250 4.601 1.00 0.00 N ATOM 244 CA LEU A 113 71.129 6.828 4.319 1.00 0.00 C ATOM 245 C LEU A 113 71.712 5.930 5.410 1.00 0.00 C ATOM 246 O LEU A 113 71.061 5.028 5.898 1.00 0.00 O ATOM 247 CB LEU A 113 71.763 6.514 2.963 1.00 0.00 C ATOM 248 CG LEU A 113 71.190 5.205 2.418 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.865 5.484 1.704 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.181 4.590 1.427 1.00 0.00 C ATOM 0 H LEU A 113 72.268 8.618 4.067 1.00 0.00 H new ATOM 0 HA LEU A 113 70.052 6.661 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.569 7.327 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.845 6.434 3.066 1.00 0.00 H new ATOM 0 HG LEU A 113 71.020 4.513 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.457 4.551 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.158 5.924 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 113 70.035 6.176 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.774 3.657 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.350 5.284 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.126 4.391 1.933 1.00 0.00 H new ATOM 262 N LYS A 114 72.932 6.178 5.806 1.00 0.00 N ATOM 263 CA LYS A 114 73.543 5.343 6.877 1.00 0.00 C ATOM 264 C LYS A 114 72.751 5.520 8.170 1.00 0.00 C ATOM 265 O LYS A 114 72.407 4.565 8.837 1.00 0.00 O ATOM 266 CB LYS A 114 74.968 5.874 7.038 1.00 0.00 C ATOM 267 CG LYS A 114 75.633 5.206 8.243 1.00 0.00 C ATOM 268 CD LYS A 114 76.377 6.262 9.065 1.00 0.00 C ATOM 269 CE LYS A 114 77.882 6.141 8.809 1.00 0.00 C ATOM 270 NZ LYS A 114 78.507 7.131 9.730 1.00 0.00 N ATOM 0 H LYS A 114 73.528 6.919 5.436 1.00 0.00 H new ATOM 0 HA LYS A 114 73.540 4.280 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.545 5.675 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.951 6.955 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 114 74.882 4.713 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.327 4.435 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 114 76.030 7.259 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 114 76.166 6.128 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 114 78.238 5.131 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.125 6.360 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.540 7.109 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.154 8.084 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 78.264 6.893 10.713 1.00 0.00 H new ATOM 284 N ASP A 115 72.443 6.739 8.526 1.00 0.00 N ATOM 285 CA ASP A 115 71.659 6.967 9.770 1.00 0.00 C ATOM 286 C ASP A 115 70.265 6.390 9.599 1.00 0.00 C ATOM 287 O ASP A 115 69.799 5.633 10.429 1.00 0.00 O ATOM 288 CB ASP A 115 71.612 8.485 9.952 1.00 0.00 C ATOM 289 CG ASP A 115 71.690 8.823 11.441 1.00 0.00 C ATOM 290 OD1 ASP A 115 70.803 8.411 12.170 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.635 9.490 11.829 1.00 0.00 O ATOM 0 H ASP A 115 72.700 7.581 8.011 1.00 0.00 H new ATOM 0 HA ASP A 115 72.102 6.485 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.440 8.952 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.692 8.885 9.525 1.00 0.00 H new ATOM 296 N TYR A 116 69.600 6.694 8.523 1.00 0.00 N ATOM 297 CA TYR A 116 68.256 6.100 8.323 1.00 0.00 C ATOM 298 C TYR A 116 68.358 4.602 8.583 1.00 0.00 C ATOM 299 O TYR A 116 67.452 3.979 9.098 1.00 0.00 O ATOM 300 CB TYR A 116 67.910 6.345 6.864 1.00 0.00 C ATOM 301 CG TYR A 116 66.651 5.586 6.539 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.411 6.163 6.818 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.719 4.311 5.965 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.232 5.469 6.523 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.541 3.615 5.667 1.00 0.00 C ATOM 306 CZ TYR A 116 64.298 4.196 5.945 1.00 0.00 C ATOM 307 OH TYR A 116 63.136 3.511 5.652 1.00 0.00 O ATOM 0 H TYR A 116 69.924 7.319 7.784 1.00 0.00 H new ATOM 0 HA TYR A 116 67.502 6.526 8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.768 7.410 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.727 6.018 6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.361 7.146 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.679 3.865 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.273 5.915 6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.591 2.632 5.223 1.00 0.00 H new ATOM 0 HH TYR A 116 62.383 3.931 6.117 1.00 0.00 H new ATOM 317 N PHE A 117 69.471 4.022 8.216 1.00 0.00 N ATOM 318 CA PHE A 117 69.653 2.563 8.426 1.00 0.00 C ATOM 319 C PHE A 117 70.295 2.274 9.785 1.00 0.00 C ATOM 320 O PHE A 117 70.455 1.135 10.177 1.00 0.00 O ATOM 321 CB PHE A 117 70.541 2.097 7.273 1.00 0.00 C ATOM 322 CG PHE A 117 69.662 1.821 6.079 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.581 0.943 6.206 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.914 2.450 4.852 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.750 0.688 5.112 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.083 2.195 3.754 1.00 0.00 C ATOM 327 CZ PHE A 117 68.001 1.314 3.883 1.00 0.00 C ATOM 0 H PHE A 117 70.260 4.500 7.780 1.00 0.00 H new ATOM 0 HA PHE A 117 68.701 2.033 8.435 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.281 2.860 7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.090 1.199 7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.388 0.460 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.747 3.130 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.916 0.010 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.276 2.678 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.361 1.117 3.036 1.00 0.00 H new ATOM 337 N SER A 118 70.650 3.291 10.514 1.00 0.00 N ATOM 338 CA SER A 118 71.259 3.065 11.853 1.00 0.00 C ATOM 339 C SER A 118 70.182 2.564 12.821 1.00 0.00 C ATOM 340 O SER A 118 70.471 2.142 13.923 1.00 0.00 O ATOM 341 CB SER A 118 71.785 4.431 12.290 1.00 0.00 C ATOM 342 OG SER A 118 72.426 4.305 13.552 1.00 0.00 O ATOM 0 H SER A 118 70.546 4.269 10.242 1.00 0.00 H new ATOM 0 HA SER A 118 72.054 2.320 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.486 4.817 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 118 70.965 5.146 12.356 1.00 0.00 H new ATOM 0 HG SER A 118 72.766 5.179 13.835 1.00 0.00 H new ATOM 348 N LYS A 119 68.940 2.602 12.410 1.00 0.00 N ATOM 349 CA LYS A 119 67.843 2.122 13.299 1.00 0.00 C ATOM 350 C LYS A 119 67.735 0.598 13.222 1.00 0.00 C ATOM 351 O LYS A 119 67.124 -0.034 14.062 1.00 0.00 O ATOM 352 CB LYS A 119 66.570 2.777 12.760 1.00 0.00 C ATOM 353 CG LYS A 119 65.386 2.400 13.654 1.00 0.00 C ATOM 354 CD LYS A 119 64.170 2.074 12.784 1.00 0.00 C ATOM 355 CE LYS A 119 63.977 0.557 12.725 1.00 0.00 C ATOM 356 NZ LYS A 119 63.854 0.240 11.274 1.00 0.00 N ATOM 0 H LYS A 119 68.640 2.945 11.497 1.00 0.00 H new ATOM 0 HA LYS A 119 68.018 2.379 14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.689 3.860 12.733 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.385 2.451 11.737 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.644 1.541 14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.152 3.222 14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 119 63.279 2.549 13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.311 2.473 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 119 64.822 0.034 13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.086 0.251 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 63.207 -0.565 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 63.479 1.068 10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 64.790 -0.005 10.892 1.00 0.00 H new ATOM 370 N PHE A 120 68.332 0.002 12.225 1.00 0.00 N ATOM 371 CA PHE A 120 68.272 -1.482 12.104 1.00 0.00 C ATOM 372 C PHE A 120 69.447 -2.102 12.860 1.00 0.00 C ATOM 373 O PHE A 120 69.314 -3.104 13.534 1.00 0.00 O ATOM 374 CB PHE A 120 68.401 -1.774 10.606 1.00 0.00 C ATOM 375 CG PHE A 120 67.329 -1.044 9.830 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.562 0.259 9.376 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.111 -1.675 9.548 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.580 0.933 8.642 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.130 -1.003 8.809 1.00 0.00 C ATOM 380 CZ PHE A 120 65.365 0.302 8.356 1.00 0.00 C ATOM 0 H PHE A 120 68.857 0.478 11.491 1.00 0.00 H new ATOM 0 HA PHE A 120 67.352 -1.894 12.518 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.386 -1.468 10.253 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.319 -2.847 10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.502 0.745 9.593 1.00 0.00 H new ATOM 0 HD2 PHE A 120 65.929 -2.679 9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.760 1.940 8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.192 -1.491 8.588 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.608 0.820 7.786 1.00 0.00 H new ATOM 390 N GLY A 121 70.598 -1.502 12.747 1.00 0.00 N ATOM 391 CA GLY A 121 71.799 -2.032 13.450 1.00 0.00 C ATOM 392 C GLY A 121 72.984 -1.100 13.190 1.00 0.00 C ATOM 393 O GLY A 121 72.814 0.065 12.890 1.00 0.00 O ATOM 0 H GLY A 121 70.760 -0.661 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.606 -2.105 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.027 -3.038 13.098 1.00 0.00 H new ATOM 397 N GLU A 122 74.183 -1.600 13.299 1.00 0.00 N ATOM 398 CA GLU A 122 75.373 -0.736 13.052 1.00 0.00 C ATOM 399 C GLU A 122 75.778 -0.803 11.576 1.00 0.00 C ATOM 400 O GLU A 122 75.462 -1.745 10.878 1.00 0.00 O ATOM 401 CB GLU A 122 76.476 -1.321 13.936 1.00 0.00 C ATOM 402 CG GLU A 122 76.685 -0.423 15.158 1.00 0.00 C ATOM 403 CD GLU A 122 76.575 -1.263 16.431 1.00 0.00 C ATOM 404 OE1 GLU A 122 75.460 -1.559 16.827 1.00 0.00 O ATOM 405 OE2 GLU A 122 77.608 -1.597 16.988 1.00 0.00 O ATOM 0 H GLU A 122 74.391 -2.567 13.548 1.00 0.00 H new ATOM 0 HA GLU A 122 75.178 0.312 13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.205 -2.328 14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.404 -1.404 13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.663 0.055 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.941 0.373 15.169 1.00 0.00 H new ATOM 412 N VAL A 123 76.480 0.187 11.098 1.00 0.00 N ATOM 413 CA VAL A 123 76.908 0.173 9.668 1.00 0.00 C ATOM 414 C VAL A 123 78.372 0.571 9.528 1.00 0.00 C ATOM 415 O VAL A 123 78.812 1.580 10.043 1.00 0.00 O ATOM 416 CB VAL A 123 75.991 1.178 8.952 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.739 1.876 7.807 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.819 0.418 8.348 1.00 0.00 C ATOM 0 H VAL A 123 76.776 1.004 11.633 1.00 0.00 H new ATOM 0 HA VAL A 123 76.824 -0.824 9.236 1.00 0.00 H new ATOM 0 HB VAL A 123 75.657 1.923 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.072 2.583 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.601 2.410 8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.076 1.132 7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.158 1.117 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.191 -0.318 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.268 -0.089 9.140 1.00 0.00 H new ATOM 428 N VAL A 124 79.112 -0.203 8.793 1.00 0.00 N ATOM 429 CA VAL A 124 80.534 0.131 8.561 1.00 0.00 C ATOM 430 C VAL A 124 80.630 0.893 7.245 1.00 0.00 C ATOM 431 O VAL A 124 81.557 1.643 7.015 1.00 0.00 O ATOM 432 CB VAL A 124 81.257 -1.218 8.465 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.469 -1.102 7.529 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.730 -1.635 9.859 1.00 0.00 C ATOM 0 H VAL A 124 78.788 -1.058 8.341 1.00 0.00 H new ATOM 0 HA VAL A 124 80.970 0.749 9.346 1.00 0.00 H new ATOM 0 HB VAL A 124 80.571 -1.965 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.975 -2.065 7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.134 -0.804 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.159 -0.354 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.245 -2.594 9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.412 -0.881 10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.870 -1.727 10.522 1.00 0.00 H new ATOM 444 N ASP A 125 79.681 0.694 6.370 1.00 0.00 N ATOM 445 CA ASP A 125 79.746 1.402 5.068 1.00 0.00 C ATOM 446 C ASP A 125 78.352 1.757 4.537 1.00 0.00 C ATOM 447 O ASP A 125 77.357 1.164 4.907 1.00 0.00 O ATOM 448 CB ASP A 125 80.442 0.426 4.120 1.00 0.00 C ATOM 449 CG ASP A 125 81.933 0.764 4.038 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.246 1.913 3.775 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.734 -0.133 4.237 1.00 0.00 O ATOM 0 H ASP A 125 78.877 0.081 6.501 1.00 0.00 H new ATOM 0 HA ASP A 125 80.278 2.348 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.310 -0.597 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 125 79.991 0.482 3.129 1.00 0.00 H new ATOM 456 N CYS A 126 78.288 2.718 3.654 1.00 0.00 N ATOM 457 CA CYS A 126 76.982 3.130 3.059 1.00 0.00 C ATOM 458 C CYS A 126 77.234 4.091 1.906 1.00 0.00 C ATOM 459 O CYS A 126 77.588 5.237 2.093 1.00 0.00 O ATOM 460 CB CYS A 126 76.210 3.813 4.189 1.00 0.00 C ATOM 461 SG CYS A 126 74.626 4.421 3.555 1.00 0.00 S ATOM 0 H CYS A 126 79.095 3.242 3.315 1.00 0.00 H new ATOM 0 HA CYS A 126 76.419 2.287 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.042 3.111 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.793 4.640 4.595 1.00 0.00 H new ATOM 0 HG CYS A 126 74.833 5.155 2.502 1.00 0.00 H new ATOM 467 N THR A 127 77.073 3.613 0.711 1.00 0.00 N ATOM 468 CA THR A 127 77.322 4.461 -0.479 1.00 0.00 C ATOM 469 C THR A 127 76.014 5.047 -1.018 1.00 0.00 C ATOM 470 O THR A 127 74.933 4.620 -0.662 1.00 0.00 O ATOM 471 CB THR A 127 77.933 3.498 -1.494 1.00 0.00 C ATOM 472 OG1 THR A 127 78.246 2.263 -0.859 1.00 0.00 O ATOM 473 CG2 THR A 127 79.206 4.109 -2.067 1.00 0.00 C ATOM 0 H THR A 127 76.776 2.659 0.505 1.00 0.00 H new ATOM 0 HA THR A 127 77.967 5.311 -0.257 1.00 0.00 H new ATOM 0 HB THR A 127 77.218 3.319 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 127 78.636 1.648 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 127 79.644 3.423 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 127 78.968 5.053 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 127 79.918 4.289 -1.261 1.00 0.00 H new ATOM 481 N LEU A 128 76.110 6.024 -1.882 1.00 0.00 N ATOM 482 CA LEU A 128 74.879 6.641 -2.454 1.00 0.00 C ATOM 483 C LEU A 128 75.128 7.079 -3.901 1.00 0.00 C ATOM 484 O LEU A 128 75.768 8.080 -4.154 1.00 0.00 O ATOM 485 CB LEU A 128 74.584 7.856 -1.563 1.00 0.00 C ATOM 486 CG LEU A 128 73.472 8.721 -2.173 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.081 9.741 -3.135 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.467 7.841 -2.931 1.00 0.00 C ATOM 0 H LEU A 128 76.989 6.421 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 128 74.042 5.943 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.287 7.521 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.489 8.452 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 128 72.953 9.241 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.289 10.353 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.779 10.380 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.610 9.219 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 128 71.684 8.468 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 128 72.981 7.307 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.021 7.122 -2.243 1.00 0.00 H new ATOM 500 N LYS A 129 74.623 6.342 -4.853 1.00 0.00 N ATOM 501 CA LYS A 129 74.829 6.729 -6.279 1.00 0.00 C ATOM 502 C LYS A 129 73.689 7.645 -6.730 1.00 0.00 C ATOM 503 O LYS A 129 72.779 7.231 -7.421 1.00 0.00 O ATOM 504 CB LYS A 129 74.816 5.418 -7.067 1.00 0.00 C ATOM 505 CG LYS A 129 76.089 5.316 -7.910 1.00 0.00 C ATOM 506 CD LYS A 129 77.181 4.603 -7.108 1.00 0.00 C ATOM 507 CE LYS A 129 77.153 3.104 -7.425 1.00 0.00 C ATOM 508 NZ LYS A 129 78.141 2.914 -8.527 1.00 0.00 N ATOM 0 H LYS A 129 74.079 5.492 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 129 75.762 7.271 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.751 4.571 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 129 73.937 5.377 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 129 75.885 4.770 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.427 6.311 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 129 78.158 5.019 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.026 4.763 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 129 77.422 2.512 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 129 76.157 2.786 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 78.174 1.910 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 77.857 3.482 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 79.082 3.217 -8.205 1.00 0.00 H new ATOM 522 N LEU A 130 73.743 8.889 -6.340 1.00 0.00 N ATOM 523 CA LEU A 130 72.679 9.860 -6.731 1.00 0.00 C ATOM 524 C LEU A 130 73.298 11.258 -6.840 1.00 0.00 C ATOM 525 O LEU A 130 72.620 12.261 -6.759 1.00 0.00 O ATOM 526 CB LEU A 130 71.647 9.817 -5.596 1.00 0.00 C ATOM 527 CG LEU A 130 70.342 9.157 -6.069 1.00 0.00 C ATOM 528 CD1 LEU A 130 69.959 9.672 -7.458 1.00 0.00 C ATOM 529 CD2 LEU A 130 70.522 7.639 -6.123 1.00 0.00 C ATOM 0 H LEU A 130 74.486 9.279 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 130 72.221 9.619 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 130 72.054 9.264 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 130 71.442 10.829 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 130 69.548 9.408 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 130 69.033 9.196 -7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 130 69.817 10.752 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 130 70.754 9.435 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 130 69.595 7.174 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 130 71.324 7.392 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 130 70.775 7.267 -5.130 1.00 0.00 H new ATOM 541 N ASP A 131 74.592 11.320 -7.012 1.00 0.00 N ATOM 542 CA ASP A 131 75.286 12.639 -7.114 1.00 0.00 C ATOM 543 C ASP A 131 74.536 13.586 -8.056 1.00 0.00 C ATOM 544 O ASP A 131 74.534 13.395 -9.256 1.00 0.00 O ATOM 545 CB ASP A 131 76.668 12.312 -7.682 1.00 0.00 C ATOM 546 CG ASP A 131 77.496 11.575 -6.628 1.00 0.00 C ATOM 547 OD1 ASP A 131 78.017 12.235 -5.744 1.00 0.00 O ATOM 548 OD2 ASP A 131 77.596 10.362 -6.722 1.00 0.00 O ATOM 0 H ASP A 131 75.203 10.507 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 131 75.339 13.142 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 131 76.568 11.697 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 131 77.175 13.229 -7.981 1.00 0.00 H new ATOM 553 N PRO A 132 73.933 14.587 -7.473 1.00 0.00 N ATOM 554 CA PRO A 132 73.184 15.590 -8.262 1.00 0.00 C ATOM 555 C PRO A 132 74.136 16.666 -8.794 1.00 0.00 C ATOM 556 O PRO A 132 73.792 17.437 -9.667 1.00 0.00 O ATOM 557 CB PRO A 132 72.218 16.184 -7.245 1.00 0.00 C ATOM 558 CG PRO A 132 72.862 15.978 -5.905 1.00 0.00 C ATOM 559 CD PRO A 132 73.885 14.874 -6.038 1.00 0.00 C ATOM 0 HA PRO A 132 72.681 15.168 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 132 72.048 17.243 -7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 132 71.247 15.691 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 132 73.338 16.898 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 132 72.112 15.714 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.859 15.189 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 132 73.594 13.993 -5.467 1.00 0.00 H new ATOM 567 N ILE A 133 75.329 16.727 -8.266 1.00 0.00 N ATOM 568 CA ILE A 133 76.303 17.758 -8.730 1.00 0.00 C ATOM 569 C ILE A 133 77.328 17.137 -9.687 1.00 0.00 C ATOM 570 O ILE A 133 77.698 17.729 -10.682 1.00 0.00 O ATOM 571 CB ILE A 133 76.979 18.257 -7.447 1.00 0.00 C ATOM 572 CG1 ILE A 133 77.583 19.644 -7.687 1.00 0.00 C ATOM 573 CG2 ILE A 133 78.077 17.281 -7.014 1.00 0.00 C ATOM 574 CD1 ILE A 133 78.875 19.510 -8.491 1.00 0.00 C ATOM 0 H ILE A 133 75.672 16.107 -7.532 1.00 0.00 H new ATOM 0 HA ILE A 133 75.823 18.568 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 133 76.232 18.321 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 133 76.873 20.273 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 133 77.785 20.133 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 133 78.550 17.646 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 133 77.639 16.300 -6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 133 78.825 17.201 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 133 79.302 20.498 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 133 79.586 18.897 -7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.660 19.039 -9.450 1.00 0.00 H new ATOM 586 N THR A 134 77.793 15.955 -9.390 1.00 0.00 N ATOM 587 CA THR A 134 78.800 15.303 -10.279 1.00 0.00 C ATOM 588 C THR A 134 78.103 14.479 -11.365 1.00 0.00 C ATOM 589 O THR A 134 78.682 13.580 -11.939 1.00 0.00 O ATOM 590 CB THR A 134 79.614 14.387 -9.360 1.00 0.00 C ATOM 591 OG1 THR A 134 79.236 14.606 -8.006 1.00 0.00 O ATOM 592 CG2 THR A 134 81.104 14.685 -9.532 1.00 0.00 C ATOM 0 H THR A 134 77.520 15.411 -8.571 1.00 0.00 H new ATOM 0 HA THR A 134 79.426 16.036 -10.788 1.00 0.00 H new ATOM 0 HB THR A 134 79.419 13.347 -9.623 1.00 0.00 H new ATOM 0 HG1 THR A 134 79.757 14.017 -7.421 1.00 0.00 H new ATOM 0 HG21 THR A 134 81.683 14.033 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 134 81.393 14.509 -10.568 1.00 0.00 H new ATOM 0 HG23 THR A 134 81.299 15.726 -9.273 1.00 0.00 H new ATOM 600 N GLY A 135 76.865 14.775 -11.649 1.00 0.00 N ATOM 601 CA GLY A 135 76.139 14.002 -12.697 1.00 0.00 C ATOM 602 C GLY A 135 76.401 12.508 -12.501 1.00 0.00 C ATOM 603 O GLY A 135 76.332 11.728 -13.430 1.00 0.00 O ATOM 0 H GLY A 135 76.325 15.516 -11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 135 75.070 14.205 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 135 76.469 14.313 -13.688 1.00 0.00 H new ATOM 607 N ARG A 136 76.704 12.105 -11.298 1.00 0.00 N ATOM 608 CA ARG A 136 76.974 10.662 -11.037 1.00 0.00 C ATOM 609 C ARG A 136 75.793 10.036 -10.294 1.00 0.00 C ATOM 610 O ARG A 136 75.954 9.119 -9.514 1.00 0.00 O ATOM 611 CB ARG A 136 78.223 10.646 -10.155 1.00 0.00 C ATOM 612 CG ARG A 136 79.447 10.283 -10.999 1.00 0.00 C ATOM 613 CD ARG A 136 80.630 11.155 -10.579 1.00 0.00 C ATOM 614 NE ARG A 136 81.796 10.229 -10.547 1.00 0.00 N ATOM 615 CZ ARG A 136 82.594 10.219 -9.514 1.00 0.00 C ATOM 616 NH1 ARG A 136 83.572 11.078 -9.437 1.00 0.00 N ATOM 617 NH2 ARG A 136 82.415 9.348 -8.558 1.00 0.00 N ATOM 0 H ARG A 136 76.777 12.713 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 136 77.115 10.094 -11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 136 78.365 11.622 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 136 78.100 9.925 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 136 79.693 9.229 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 136 79.230 10.431 -12.057 1.00 0.00 H new ATOM 0 HD2 ARG A 136 80.791 11.969 -11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 136 80.459 11.609 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 136 81.971 9.602 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 136 83.714 11.758 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 136 84.195 11.070 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 136 81.651 8.675 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 136 83.039 9.341 -7.751 1.00 0.00 H new ATOM 631 N SER A 137 74.607 10.528 -10.523 1.00 0.00 N ATOM 632 CA SER A 137 73.424 9.960 -9.820 1.00 0.00 C ATOM 633 C SER A 137 72.927 8.704 -10.541 1.00 0.00 C ATOM 634 O SER A 137 72.363 8.774 -11.616 1.00 0.00 O ATOM 635 CB SER A 137 72.366 11.065 -9.858 1.00 0.00 C ATOM 636 OG SER A 137 72.035 11.356 -11.212 1.00 0.00 O ATOM 0 H SER A 137 74.407 11.296 -11.164 1.00 0.00 H new ATOM 0 HA SER A 137 73.658 9.661 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 137 71.476 10.750 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 137 72.742 11.961 -9.363 1.00 0.00 H new ATOM 0 HG SER A 137 71.684 12.269 -11.274 1.00 0.00 H new ATOM 642 N ARG A 138 73.128 7.554 -9.954 1.00 0.00 N ATOM 643 CA ARG A 138 72.665 6.293 -10.604 1.00 0.00 C ATOM 644 C ARG A 138 71.232 5.975 -10.171 1.00 0.00 C ATOM 645 O ARG A 138 70.613 5.053 -10.665 1.00 0.00 O ATOM 646 CB ARG A 138 73.626 5.214 -10.107 1.00 0.00 C ATOM 647 CG ARG A 138 74.181 4.436 -11.302 1.00 0.00 C ATOM 648 CD ARG A 138 75.652 4.094 -11.052 1.00 0.00 C ATOM 649 NE ARG A 138 76.111 3.419 -12.299 1.00 0.00 N ATOM 650 CZ ARG A 138 75.430 2.417 -12.791 1.00 0.00 C ATOM 651 NH1 ARG A 138 75.357 1.293 -12.133 1.00 0.00 N ATOM 652 NH2 ARG A 138 74.823 2.542 -13.939 1.00 0.00 N ATOM 0 H ARG A 138 73.592 7.433 -9.054 1.00 0.00 H new ATOM 0 HA ARG A 138 72.662 6.365 -11.692 1.00 0.00 H new ATOM 0 HB2 ARG A 138 74.442 5.669 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 138 73.109 4.537 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 138 73.605 3.523 -11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 138 74.084 5.029 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 138 76.237 4.992 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 138 75.763 3.441 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 138 76.958 3.739 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 138 75.831 1.196 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 138 74.826 0.511 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 138 74.880 3.421 -14.453 1.00 0.00 H new ATOM 0 HH22 ARG A 138 74.292 1.760 -14.323 1.00 0.00 H new ATOM 666 N GLY A 139 70.695 6.742 -9.262 1.00 0.00 N ATOM 667 CA GLY A 139 69.296 6.496 -8.808 1.00 0.00 C ATOM 668 C GLY A 139 69.275 5.528 -7.619 1.00 0.00 C ATOM 669 O GLY A 139 68.222 5.152 -7.142 1.00 0.00 O ATOM 0 H GLY A 139 71.164 7.529 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.829 7.439 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 139 68.709 6.084 -9.629 1.00 0.00 H new ATOM 673 N PHE A 140 70.414 5.123 -7.124 1.00 0.00 N ATOM 674 CA PHE A 140 70.411 4.185 -5.961 1.00 0.00 C ATOM 675 C PHE A 140 71.762 4.189 -5.248 1.00 0.00 C ATOM 676 O PHE A 140 72.751 4.666 -5.765 1.00 0.00 O ATOM 677 CB PHE A 140 70.126 2.801 -6.547 1.00 0.00 C ATOM 678 CG PHE A 140 71.144 2.471 -7.612 1.00 0.00 C ATOM 679 CD1 PHE A 140 70.903 2.819 -8.946 1.00 0.00 C ATOM 680 CD2 PHE A 140 72.329 1.809 -7.264 1.00 0.00 C ATOM 681 CE1 PHE A 140 71.845 2.507 -9.932 1.00 0.00 C ATOM 682 CE2 PHE A 140 73.273 1.497 -8.251 1.00 0.00 C ATOM 683 CZ PHE A 140 73.030 1.847 -9.585 1.00 0.00 C ATOM 0 H PHE A 140 71.335 5.396 -7.468 1.00 0.00 H new ATOM 0 HA PHE A 140 69.666 4.477 -5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.157 2.050 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.122 2.777 -6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 140 69.989 3.329 -9.214 1.00 0.00 H new ATOM 0 HD2 PHE A 140 72.515 1.539 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 140 71.658 2.775 -10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 140 74.187 0.987 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 140 73.757 1.608 -10.347 1.00 0.00 H new ATOM 693 N GLY A 141 71.807 3.650 -4.061 1.00 0.00 N ATOM 694 CA GLY A 141 73.087 3.607 -3.302 1.00 0.00 C ATOM 695 C GLY A 141 73.235 2.229 -2.659 1.00 0.00 C ATOM 696 O GLY A 141 72.475 1.323 -2.936 1.00 0.00 O ATOM 0 H GLY A 141 71.007 3.235 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.927 3.804 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.098 4.383 -2.537 1.00 0.00 H new ATOM 700 N PHE A 142 74.201 2.058 -1.801 1.00 0.00 N ATOM 701 CA PHE A 142 74.380 0.727 -1.151 1.00 0.00 C ATOM 702 C PHE A 142 74.464 0.880 0.367 1.00 0.00 C ATOM 703 O PHE A 142 74.751 1.940 0.883 1.00 0.00 O ATOM 704 CB PHE A 142 75.706 0.190 -1.686 1.00 0.00 C ATOM 705 CG PHE A 142 75.502 -0.443 -3.037 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.114 0.340 -4.129 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.709 -1.818 -3.196 1.00 0.00 C ATOM 708 CE1 PHE A 142 74.933 -0.253 -5.384 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.528 -2.411 -4.449 1.00 0.00 C ATOM 710 CZ PHE A 142 75.141 -1.627 -5.544 1.00 0.00 C ATOM 0 H PHE A 142 74.871 2.775 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 142 73.545 0.061 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.431 1.000 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.117 -0.542 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 142 74.954 1.401 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.008 -2.421 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.633 0.350 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.686 -3.472 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.003 -2.084 -6.513 1.00 0.00 H new ATOM 720 N VAL A 143 74.234 -0.183 1.084 1.00 0.00 N ATOM 721 CA VAL A 143 74.322 -0.117 2.567 1.00 0.00 C ATOM 722 C VAL A 143 75.115 -1.322 3.071 1.00 0.00 C ATOM 723 O VAL A 143 74.988 -2.419 2.566 1.00 0.00 O ATOM 724 CB VAL A 143 72.871 -0.151 3.064 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.823 -0.644 4.513 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.282 1.261 2.997 1.00 0.00 C ATOM 0 H VAL A 143 73.988 -1.097 0.705 1.00 0.00 H new ATOM 0 HA VAL A 143 74.830 0.778 2.926 1.00 0.00 H new ATOM 0 HB VAL A 143 72.294 -0.828 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.789 -0.664 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.244 -1.648 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.402 0.029 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.251 1.242 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.868 1.930 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.307 1.617 1.967 1.00 0.00 H new ATOM 736 N LEU A 144 75.945 -1.125 4.050 1.00 0.00 N ATOM 737 CA LEU A 144 76.754 -2.257 4.573 1.00 0.00 C ATOM 738 C LEU A 144 76.671 -2.288 6.100 1.00 0.00 C ATOM 739 O LEU A 144 77.352 -1.550 6.784 1.00 0.00 O ATOM 740 CB LEU A 144 78.176 -1.961 4.098 1.00 0.00 C ATOM 741 CG LEU A 144 78.490 -2.805 2.857 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.834 -2.176 1.624 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.008 -2.863 2.651 1.00 0.00 C ATOM 0 H LEU A 144 76.100 -0.229 4.512 1.00 0.00 H new ATOM 0 HA LEU A 144 76.409 -3.230 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.279 -0.901 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.889 -2.184 4.892 1.00 0.00 H new ATOM 0 HG LEU A 144 78.100 -3.813 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.060 -2.779 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.754 -2.134 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.221 -1.167 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.233 -3.463 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.395 -1.854 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.477 -3.314 3.526 1.00 0.00 H new ATOM 755 N PHE A 145 75.828 -3.127 6.636 1.00 0.00 N ATOM 756 CA PHE A 145 75.686 -3.197 8.117 1.00 0.00 C ATOM 757 C PHE A 145 76.924 -3.832 8.747 1.00 0.00 C ATOM 758 O PHE A 145 77.784 -4.357 8.069 1.00 0.00 O ATOM 759 CB PHE A 145 74.457 -4.071 8.360 1.00 0.00 C ATOM 760 CG PHE A 145 73.207 -3.256 8.143 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.885 -2.222 9.030 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.370 -3.531 7.055 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.723 -1.466 8.830 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.211 -2.775 6.856 1.00 0.00 C ATOM 765 CZ PHE A 145 70.887 -1.741 7.742 1.00 0.00 C ATOM 0 H PHE A 145 75.231 -3.767 6.112 1.00 0.00 H new ATOM 0 HA PHE A 145 75.579 -2.208 8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.467 -4.927 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.474 -4.466 9.376 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.532 -2.007 9.868 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.620 -4.327 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.472 -0.670 9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.565 -2.989 6.018 1.00 0.00 H new ATOM 0 HZ PHE A 145 69.993 -1.156 7.586 1.00 0.00 H new ATOM 775 N LYS A 146 77.022 -3.779 10.045 1.00 0.00 N ATOM 776 CA LYS A 146 78.207 -4.371 10.728 1.00 0.00 C ATOM 777 C LYS A 146 77.905 -5.793 11.219 1.00 0.00 C ATOM 778 O LYS A 146 78.805 -6.560 11.493 1.00 0.00 O ATOM 779 CB LYS A 146 78.491 -3.444 11.911 1.00 0.00 C ATOM 780 CG LYS A 146 79.788 -3.876 12.599 1.00 0.00 C ATOM 781 CD LYS A 146 79.970 -3.078 13.892 1.00 0.00 C ATOM 782 CE LYS A 146 81.462 -2.947 14.204 1.00 0.00 C ATOM 783 NZ LYS A 146 81.568 -3.176 15.672 1.00 0.00 N ATOM 0 H LYS A 146 76.333 -3.351 10.664 1.00 0.00 H new ATOM 0 HA LYS A 146 79.061 -4.452 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.575 -2.413 11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.663 -3.477 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.758 -4.943 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.637 -3.712 11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 146 79.521 -2.090 13.789 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.458 -3.577 14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 146 82.048 -3.678 13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.838 -1.961 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 82.563 -3.102 15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 81.006 -2.461 16.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 81.209 -4.125 15.902 1.00 0.00 H new ATOM 797 N GLU A 147 76.653 -6.155 11.343 1.00 0.00 N ATOM 798 CA GLU A 147 76.332 -7.530 11.827 1.00 0.00 C ATOM 799 C GLU A 147 75.293 -8.195 10.918 1.00 0.00 C ATOM 800 O GLU A 147 74.602 -7.540 10.162 1.00 0.00 O ATOM 801 CB GLU A 147 75.763 -7.330 13.232 1.00 0.00 C ATOM 802 CG GLU A 147 75.952 -8.610 14.050 1.00 0.00 C ATOM 803 CD GLU A 147 74.590 -9.239 14.351 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.590 -8.582 14.111 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.569 -10.366 14.816 1.00 0.00 O ATOM 0 H GLU A 147 75.848 -5.565 11.133 1.00 0.00 H new ATOM 0 HA GLU A 147 77.208 -8.178 11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.264 -6.496 13.723 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.704 -7.077 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 147 76.575 -9.315 13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.472 -8.384 14.981 1.00 0.00 H new ATOM 812 N SER A 148 75.173 -9.492 10.992 1.00 0.00 N ATOM 813 CA SER A 148 74.173 -10.196 10.138 1.00 0.00 C ATOM 814 C SER A 148 72.768 -9.959 10.694 1.00 0.00 C ATOM 815 O SER A 148 71.851 -9.621 9.972 1.00 0.00 O ATOM 816 CB SER A 148 74.541 -11.676 10.226 1.00 0.00 C ATOM 817 OG SER A 148 74.095 -12.196 11.471 1.00 0.00 O ATOM 0 H SER A 148 75.722 -10.094 11.605 1.00 0.00 H new ATOM 0 HA SER A 148 74.181 -9.841 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.083 -12.226 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 148 75.620 -11.801 10.132 1.00 0.00 H new ATOM 0 HG SER A 148 74.328 -13.146 11.531 1.00 0.00 H new ATOM 823 N GLU A 149 72.596 -10.128 11.977 1.00 0.00 N ATOM 824 CA GLU A 149 71.254 -9.907 12.584 1.00 0.00 C ATOM 825 C GLU A 149 70.748 -8.508 12.225 1.00 0.00 C ATOM 826 O GLU A 149 69.569 -8.297 12.021 1.00 0.00 O ATOM 827 CB GLU A 149 71.474 -10.030 14.092 1.00 0.00 C ATOM 828 CG GLU A 149 70.308 -10.796 14.720 1.00 0.00 C ATOM 829 CD GLU A 149 70.851 -11.857 15.679 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.355 -12.859 15.198 1.00 0.00 O ATOM 831 OE2 GLU A 149 70.754 -11.651 16.877 1.00 0.00 O ATOM 0 H GLU A 149 73.327 -10.409 12.630 1.00 0.00 H new ATOM 0 HA GLU A 149 70.511 -10.620 12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.412 -10.548 14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.555 -9.040 14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.653 -10.108 15.255 1.00 0.00 H new ATOM 0 HG3 GLU A 149 69.708 -11.267 13.942 1.00 0.00 H new ATOM 838 N SER A 150 71.632 -7.549 12.141 1.00 0.00 N ATOM 839 CA SER A 150 71.195 -6.169 11.788 1.00 0.00 C ATOM 840 C SER A 150 70.725 -6.128 10.331 1.00 0.00 C ATOM 841 O SER A 150 69.734 -5.498 10.001 1.00 0.00 O ATOM 842 CB SER A 150 72.433 -5.288 11.985 1.00 0.00 C ATOM 843 OG SER A 150 73.593 -5.971 11.522 1.00 0.00 O ATOM 0 H SER A 150 72.633 -7.662 12.301 1.00 0.00 H new ATOM 0 HA SER A 150 70.362 -5.829 12.403 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.312 -4.350 11.443 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.546 -5.035 13.039 1.00 0.00 H new ATOM 0 HG SER A 150 73.380 -6.454 10.696 1.00 0.00 H new ATOM 849 N VAL A 151 71.424 -6.800 9.456 1.00 0.00 N ATOM 850 CA VAL A 151 71.015 -6.803 8.022 1.00 0.00 C ATOM 851 C VAL A 151 69.679 -7.529 7.853 1.00 0.00 C ATOM 852 O VAL A 151 68.744 -7.001 7.283 1.00 0.00 O ATOM 853 CB VAL A 151 72.131 -7.548 7.290 1.00 0.00 C ATOM 854 CG1 VAL A 151 72.003 -7.308 5.785 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.491 -7.034 7.767 1.00 0.00 C ATOM 0 H VAL A 151 72.258 -7.346 9.672 1.00 0.00 H new ATOM 0 HA VAL A 151 70.877 -5.795 7.631 1.00 0.00 H new ATOM 0 HB VAL A 151 72.049 -8.614 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.799 -7.839 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 151 71.036 -7.673 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 151 72.083 -6.241 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.285 -7.567 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.571 -5.967 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.587 -7.202 8.840 1.00 0.00 H new ATOM 865 N ASP A 152 69.578 -8.735 8.342 1.00 0.00 N ATOM 866 CA ASP A 152 68.296 -9.483 8.202 1.00 0.00 C ATOM 867 C ASP A 152 67.131 -8.624 8.708 1.00 0.00 C ATOM 868 O ASP A 152 66.050 -8.636 8.153 1.00 0.00 O ATOM 869 CB ASP A 152 68.478 -10.753 9.053 1.00 0.00 C ATOM 870 CG ASP A 152 67.909 -10.550 10.463 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.696 -10.588 10.601 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.693 -10.362 11.377 1.00 0.00 O ATOM 0 H ASP A 152 70.323 -9.232 8.830 1.00 0.00 H new ATOM 0 HA ASP A 152 68.065 -9.734 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.978 -11.593 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.536 -11.005 9.116 1.00 0.00 H new ATOM 877 N LYS A 153 67.346 -7.881 9.759 1.00 0.00 N ATOM 878 CA LYS A 153 66.254 -7.024 10.299 1.00 0.00 C ATOM 879 C LYS A 153 65.785 -6.035 9.230 1.00 0.00 C ATOM 880 O LYS A 153 64.644 -6.055 8.812 1.00 0.00 O ATOM 881 CB LYS A 153 66.877 -6.280 11.481 1.00 0.00 C ATOM 882 CG LYS A 153 65.868 -5.272 12.036 1.00 0.00 C ATOM 883 CD LYS A 153 65.482 -5.668 13.464 1.00 0.00 C ATOM 884 CE LYS A 153 64.483 -6.826 13.423 1.00 0.00 C ATOM 885 NZ LYS A 153 63.225 -6.265 13.989 1.00 0.00 N ATOM 0 H LYS A 153 68.230 -7.831 10.266 1.00 0.00 H new ATOM 0 HA LYS A 153 65.383 -7.606 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.166 -6.987 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.784 -5.766 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 153 66.297 -4.270 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 153 64.981 -5.243 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.370 -5.960 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 153 65.045 -4.815 13.983 1.00 0.00 H new ATOM 0 HE2 LYS A 153 64.333 -7.183 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 153 64.837 -7.674 14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 62.489 -7.000 13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 63.397 -5.939 14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 62.909 -5.464 13.406 1.00 0.00 H new ATOM 899 N VAL A 154 66.654 -5.169 8.783 1.00 0.00 N ATOM 900 CA VAL A 154 66.248 -4.181 7.740 1.00 0.00 C ATOM 901 C VAL A 154 65.673 -4.908 6.520 1.00 0.00 C ATOM 902 O VAL A 154 64.944 -4.335 5.733 1.00 0.00 O ATOM 903 CB VAL A 154 67.537 -3.427 7.390 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.389 -4.258 6.427 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.188 -2.088 6.733 1.00 0.00 C ATOM 0 H VAL A 154 67.624 -5.102 9.093 1.00 0.00 H new ATOM 0 HA VAL A 154 65.470 -3.500 8.084 1.00 0.00 H new ATOM 0 HB VAL A 154 68.102 -3.250 8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.301 -3.713 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.647 -5.207 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.826 -4.446 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.105 -1.554 6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.616 -2.268 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.594 -1.488 7.423 1.00 0.00 H new ATOM 915 N MET A 155 65.982 -6.166 6.367 1.00 0.00 N ATOM 916 CA MET A 155 65.441 -6.930 5.206 1.00 0.00 C ATOM 917 C MET A 155 64.103 -7.568 5.587 1.00 0.00 C ATOM 918 O MET A 155 63.363 -8.031 4.742 1.00 0.00 O ATOM 919 CB MET A 155 66.484 -8.009 4.910 1.00 0.00 C ATOM 920 CG MET A 155 66.569 -8.240 3.399 1.00 0.00 C ATOM 921 SD MET A 155 65.997 -9.915 3.008 1.00 0.00 S ATOM 922 CE MET A 155 65.014 -9.486 1.550 1.00 0.00 C ATOM 0 H MET A 155 66.585 -6.698 6.994 1.00 0.00 H new ATOM 0 HA MET A 155 65.264 -6.295 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 155 67.457 -7.705 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 155 66.216 -8.937 5.415 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.960 -7.505 2.873 1.00 0.00 H new ATOM 0 HG3 MET A 155 67.595 -8.106 3.057 1.00 0.00 H new ATOM 0 HE1 MET A 155 64.560 -10.388 1.139 1.00 0.00 H new ATOM 0 HE2 MET A 155 64.231 -8.783 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 155 65.658 -9.029 0.799 1.00 0.00 H new ATOM 932 N ASP A 156 63.783 -7.591 6.854 1.00 0.00 N ATOM 933 CA ASP A 156 62.490 -8.194 7.278 1.00 0.00 C ATOM 934 C ASP A 156 61.332 -7.427 6.639 1.00 0.00 C ATOM 935 O ASP A 156 60.304 -7.987 6.314 1.00 0.00 O ATOM 936 CB ASP A 156 62.469 -8.066 8.810 1.00 0.00 C ATOM 937 CG ASP A 156 61.892 -6.709 9.227 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.337 -5.707 8.692 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.013 -6.696 10.073 1.00 0.00 O ATOM 0 H ASP A 156 64.360 -7.220 7.609 1.00 0.00 H new ATOM 0 HA ASP A 156 62.387 -9.234 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.871 -8.870 9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.480 -8.175 9.204 1.00 0.00 H new ATOM 944 N GLN A 157 61.492 -6.144 6.457 1.00 0.00 N ATOM 945 CA GLN A 157 60.400 -5.344 5.837 1.00 0.00 C ATOM 946 C GLN A 157 60.990 -4.280 4.911 1.00 0.00 C ATOM 947 O GLN A 157 61.510 -3.276 5.356 1.00 0.00 O ATOM 948 CB GLN A 157 59.668 -4.697 7.014 1.00 0.00 C ATOM 949 CG GLN A 157 58.158 -4.786 6.788 1.00 0.00 C ATOM 950 CD GLN A 157 57.438 -3.869 7.779 1.00 0.00 C ATOM 951 OE1 GLN A 157 56.984 -2.802 7.416 1.00 0.00 O ATOM 952 NE2 GLN A 157 57.313 -4.241 9.025 1.00 0.00 N ATOM 0 H GLN A 157 62.328 -5.618 6.710 1.00 0.00 H new ATOM 0 HA GLN A 157 59.730 -5.952 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 157 59.937 -5.199 7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.970 -3.655 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 157 57.915 -4.496 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 157 57.820 -5.814 6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 157 57.694 -5.137 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 157 56.835 -3.636 9.692 1.00 0.00 H new ATOM 961 N LYS A 158 60.914 -4.490 3.623 1.00 0.00 N ATOM 962 CA LYS A 158 61.473 -3.492 2.664 1.00 0.00 C ATOM 963 C LYS A 158 60.493 -2.346 2.433 1.00 0.00 C ATOM 964 O LYS A 158 60.602 -1.609 1.474 1.00 0.00 O ATOM 965 CB LYS A 158 61.718 -4.269 1.371 1.00 0.00 C ATOM 966 CG LYS A 158 60.392 -4.842 0.861 1.00 0.00 C ATOM 967 CD LYS A 158 60.334 -4.728 -0.664 1.00 0.00 C ATOM 968 CE LYS A 158 59.061 -5.406 -1.181 1.00 0.00 C ATOM 969 NZ LYS A 158 59.461 -6.806 -1.507 1.00 0.00 N ATOM 0 H LYS A 158 60.488 -5.311 3.193 1.00 0.00 H new ATOM 0 HA LYS A 158 62.388 -3.037 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.157 -3.614 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.431 -5.075 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.296 -5.885 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.556 -4.304 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.346 -3.679 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 158 61.213 -5.195 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 158 58.273 -5.388 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 158 58.673 -4.893 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 58.636 -7.328 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 60.207 -6.794 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 59.819 -7.273 -0.650 1.00 0.00 H new ATOM 983 N GLU A 159 59.569 -2.155 3.326 1.00 0.00 N ATOM 984 CA GLU A 159 58.636 -1.018 3.173 1.00 0.00 C ATOM 985 C GLU A 159 59.300 0.172 3.833 1.00 0.00 C ATOM 986 O GLU A 159 58.842 0.702 4.825 1.00 0.00 O ATOM 987 CB GLU A 159 57.388 -1.408 3.936 1.00 0.00 C ATOM 988 CG GLU A 159 56.392 -2.084 2.993 1.00 0.00 C ATOM 989 CD GLU A 159 55.024 -2.168 3.674 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.769 -1.358 4.550 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.255 -3.041 3.305 1.00 0.00 O ATOM 0 H GLU A 159 59.422 -2.736 4.151 1.00 0.00 H new ATOM 0 HA GLU A 159 58.393 -0.779 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.646 -2.083 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.935 -0.524 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.314 -1.520 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.742 -3.082 2.731 1.00 0.00 H new ATOM 998 N HIS A 160 60.411 0.553 3.299 1.00 0.00 N ATOM 999 CA HIS A 160 61.184 1.671 3.881 1.00 0.00 C ATOM 1000 C HIS A 160 60.691 3.005 3.321 1.00 0.00 C ATOM 1001 O HIS A 160 59.674 3.072 2.661 1.00 0.00 O ATOM 1002 CB HIS A 160 62.614 1.415 3.427 1.00 0.00 C ATOM 1003 CG HIS A 160 63.126 0.151 4.052 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.489 -0.062 4.287 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.485 -0.988 4.487 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.620 -1.282 4.838 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.438 -1.862 4.970 1.00 0.00 N ATOM 0 H HIS A 160 60.826 0.131 2.468 1.00 0.00 H new ATOM 0 HA HIS A 160 61.087 1.724 4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.652 1.336 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.250 2.254 3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.420 -1.166 4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.559 -1.726 5.132 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.263 -2.789 5.359 1.00 0.00 H new ATOM 1015 N LYS A 161 61.408 4.065 3.572 1.00 0.00 N ATOM 1016 CA LYS A 161 60.981 5.394 3.046 1.00 0.00 C ATOM 1017 C LYS A 161 61.975 6.479 3.472 1.00 0.00 C ATOM 1018 O LYS A 161 61.703 7.272 4.350 1.00 0.00 O ATOM 1019 CB LYS A 161 59.607 5.649 3.671 1.00 0.00 C ATOM 1020 CG LYS A 161 59.104 7.033 3.251 1.00 0.00 C ATOM 1021 CD LYS A 161 57.901 7.427 4.111 1.00 0.00 C ATOM 1022 CE LYS A 161 58.369 7.732 5.536 1.00 0.00 C ATOM 1023 NZ LYS A 161 57.119 7.972 6.309 1.00 0.00 N ATOM 0 H LYS A 161 62.270 4.070 4.118 1.00 0.00 H new ATOM 0 HA LYS A 161 60.942 5.411 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.902 4.882 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.673 5.588 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 161 59.900 7.769 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.823 7.024 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.406 8.300 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.169 6.620 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 161 58.936 6.899 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 161 59.021 8.605 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 57.358 8.188 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 56.603 8.774 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.521 7.122 6.275 1.00 0.00 H new ATOM 1037 N LEU A 162 63.125 6.522 2.852 1.00 0.00 N ATOM 1038 CA LEU A 162 64.130 7.560 3.222 1.00 0.00 C ATOM 1039 C LEU A 162 64.151 8.669 2.165 1.00 0.00 C ATOM 1040 O LEU A 162 63.746 8.471 1.037 1.00 0.00 O ATOM 1041 CB LEU A 162 65.472 6.823 3.267 1.00 0.00 C ATOM 1042 CG LEU A 162 65.881 6.397 1.856 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.707 7.507 1.206 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.722 5.122 1.934 1.00 0.00 C ATOM 0 H LEU A 162 63.411 5.885 2.108 1.00 0.00 H new ATOM 0 HA LEU A 162 63.903 8.036 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 162 66.237 7.469 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.394 5.948 3.912 1.00 0.00 H new ATOM 0 HG LEU A 162 64.987 6.211 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 162 66.998 7.203 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.112 8.419 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.601 7.692 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 162 67.014 4.817 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.615 5.311 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 162 66.137 4.328 2.398 1.00 0.00 H new ATOM 1056 N ASN A 163 64.611 9.838 2.523 1.00 0.00 N ATOM 1057 CA ASN A 163 64.649 10.962 1.541 1.00 0.00 C ATOM 1058 C ASN A 163 63.242 11.248 1.009 1.00 0.00 C ATOM 1059 O ASN A 163 63.071 11.922 0.013 1.00 0.00 O ATOM 1060 CB ASN A 163 65.562 10.481 0.412 1.00 0.00 C ATOM 1061 CG ASN A 163 67.012 10.839 0.742 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.726 11.361 -0.090 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.480 10.576 1.931 1.00 0.00 N ATOM 0 H ASN A 163 64.962 10.064 3.454 1.00 0.00 H new ATOM 0 HA ASN A 163 65.014 11.886 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.462 9.403 0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.267 10.943 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.446 10.809 2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.880 10.138 2.630 1.00 0.00 H new ATOM 1070 N GLY A 164 62.235 10.740 1.664 1.00 0.00 N ATOM 1071 CA GLY A 164 60.842 10.984 1.194 1.00 0.00 C ATOM 1072 C GLY A 164 60.496 9.985 0.089 1.00 0.00 C ATOM 1073 O GLY A 164 59.589 10.197 -0.691 1.00 0.00 O ATOM 0 H GLY A 164 62.316 10.167 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.143 10.881 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.746 12.004 0.821 1.00 0.00 H new ATOM 1077 N LYS A 165 61.214 8.897 0.015 1.00 0.00 N ATOM 1078 CA LYS A 165 60.925 7.883 -1.042 1.00 0.00 C ATOM 1079 C LYS A 165 61.314 6.484 -0.552 1.00 0.00 C ATOM 1080 O LYS A 165 62.257 6.319 0.196 1.00 0.00 O ATOM 1081 CB LYS A 165 61.791 8.303 -2.232 1.00 0.00 C ATOM 1082 CG LYS A 165 60.943 9.114 -3.215 1.00 0.00 C ATOM 1083 CD LYS A 165 61.753 9.393 -4.482 1.00 0.00 C ATOM 1084 CE LYS A 165 61.370 8.382 -5.566 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.316 9.061 -6.370 1.00 0.00 N ATOM 0 H LYS A 165 61.987 8.666 0.639 1.00 0.00 H new ATOM 0 HA LYS A 165 59.868 7.840 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.638 8.897 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.200 7.422 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.035 8.566 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.633 10.052 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 165 61.562 10.407 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.819 9.325 -4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 165 62.230 8.120 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 165 60.997 7.456 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 60.002 8.430 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 59.508 9.292 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 60.702 9.936 -6.780 1.00 0.00 H new ATOM 1099 N VAL A 166 60.597 5.472 -0.967 1.00 0.00 N ATOM 1100 CA VAL A 166 60.935 4.087 -0.521 1.00 0.00 C ATOM 1101 C VAL A 166 62.259 3.636 -1.153 1.00 0.00 C ATOM 1102 O VAL A 166 62.930 4.400 -1.818 1.00 0.00 O ATOM 1103 CB VAL A 166 59.762 3.218 -0.996 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.979 2.781 -2.448 1.00 0.00 C ATOM 1105 CG2 VAL A 166 59.655 1.979 -0.103 1.00 0.00 C ATOM 0 H VAL A 166 59.795 5.544 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 166 61.070 4.016 0.558 1.00 0.00 H new ATOM 0 HB VAL A 166 58.842 3.800 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.140 2.165 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.051 3.662 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.901 2.204 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 166 58.823 1.360 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 166 60.580 1.406 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 166 59.485 2.288 0.929 1.00 0.00 H new ATOM 1115 N ILE A 167 62.638 2.403 -0.953 1.00 0.00 N ATOM 1116 CA ILE A 167 63.921 1.908 -1.543 1.00 0.00 C ATOM 1117 C ILE A 167 63.832 0.407 -1.827 1.00 0.00 C ATOM 1118 O ILE A 167 62.841 -0.234 -1.542 1.00 0.00 O ATOM 1119 CB ILE A 167 65.023 2.173 -0.499 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.413 2.443 0.882 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.855 3.379 -0.929 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.398 2.006 1.970 1.00 0.00 C ATOM 0 H ILE A 167 62.118 1.716 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 167 64.134 2.416 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 167 65.656 1.288 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.184 3.503 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.473 1.901 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.634 3.566 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.314 3.178 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.212 4.255 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.965 2.198 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.605 0.941 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.326 2.568 1.867 1.00 0.00 H new ATOM 1134 N ASP A 168 64.872 -0.154 -2.378 1.00 0.00 N ATOM 1135 CA ASP A 168 64.870 -1.614 -2.671 1.00 0.00 C ATOM 1136 C ASP A 168 66.099 -2.262 -2.031 1.00 0.00 C ATOM 1137 O ASP A 168 67.164 -2.287 -2.618 1.00 0.00 O ATOM 1138 CB ASP A 168 64.931 -1.719 -4.196 1.00 0.00 C ATOM 1139 CG ASP A 168 64.294 -3.037 -4.642 1.00 0.00 C ATOM 1140 OD1 ASP A 168 63.433 -3.527 -3.930 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.680 -3.535 -5.687 1.00 0.00 O ATOM 0 H ASP A 168 65.727 0.338 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 168 63.991 -2.122 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.408 -0.878 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.966 -1.670 -4.534 1.00 0.00 H new ATOM 1146 N PRO A 169 65.907 -2.752 -0.837 1.00 0.00 N ATOM 1147 CA PRO A 169 67.009 -3.399 -0.088 1.00 0.00 C ATOM 1148 C PRO A 169 67.259 -4.815 -0.612 1.00 0.00 C ATOM 1149 O PRO A 169 66.338 -5.576 -0.842 1.00 0.00 O ATOM 1150 CB PRO A 169 66.490 -3.439 1.345 1.00 0.00 C ATOM 1151 CG PRO A 169 64.997 -3.413 1.229 1.00 0.00 C ATOM 1152 CD PRO A 169 64.652 -2.743 -0.079 1.00 0.00 C ATOM 0 HA PRO A 169 67.957 -2.869 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.828 -4.338 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.854 -2.587 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.593 -4.425 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.557 -2.869 2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.866 -3.283 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.290 -1.727 0.079 1.00 0.00 H new ATOM 1160 N LYS A 170 68.499 -5.177 -0.793 1.00 0.00 N ATOM 1161 CA LYS A 170 68.811 -6.546 -1.293 1.00 0.00 C ATOM 1162 C LYS A 170 70.119 -7.041 -0.693 1.00 0.00 C ATOM 1163 O LYS A 170 70.753 -6.365 0.092 1.00 0.00 O ATOM 1164 CB LYS A 170 68.983 -6.405 -2.798 1.00 0.00 C ATOM 1165 CG LYS A 170 67.755 -6.967 -3.516 1.00 0.00 C ATOM 1166 CD LYS A 170 67.983 -8.445 -3.834 1.00 0.00 C ATOM 1167 CE LYS A 170 66.825 -9.273 -3.274 1.00 0.00 C ATOM 1168 NZ LYS A 170 67.472 -10.303 -2.416 1.00 0.00 N ATOM 0 H LYS A 170 69.310 -4.584 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 170 68.025 -7.252 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.121 -5.356 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.879 -6.935 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.870 -6.851 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.571 -6.410 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.058 -8.588 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 170 68.926 -8.780 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 170 66.138 -8.653 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.245 -9.733 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 66.742 -10.912 -1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 68.115 -10.882 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 68.012 -9.836 -1.660 1.00 0.00 H new ATOM 1182 N ARG A 171 70.539 -8.213 -1.076 1.00 0.00 N ATOM 1183 CA ARG A 171 71.817 -8.740 -0.543 1.00 0.00 C ATOM 1184 C ARG A 171 72.965 -8.355 -1.469 1.00 0.00 C ATOM 1185 O ARG A 171 73.815 -9.162 -1.792 1.00 0.00 O ATOM 1186 CB ARG A 171 71.644 -10.258 -0.488 1.00 0.00 C ATOM 1187 CG ARG A 171 71.189 -10.670 0.914 1.00 0.00 C ATOM 1188 CD ARG A 171 71.976 -11.903 1.364 1.00 0.00 C ATOM 1189 NE ARG A 171 71.119 -12.550 2.395 1.00 0.00 N ATOM 1190 CZ ARG A 171 71.577 -12.738 3.602 1.00 0.00 C ATOM 1191 NH1 ARG A 171 72.502 -13.633 3.819 1.00 0.00 N ATOM 1192 NH2 ARG A 171 71.111 -12.029 4.594 1.00 0.00 N ATOM 0 H ARG A 171 70.053 -8.824 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 171 72.052 -8.334 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.911 -10.578 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 171 72.584 -10.751 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 171 71.346 -9.850 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.121 -10.888 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 171 72.166 -12.577 0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.946 -11.624 1.775 1.00 0.00 H new ATOM 0 HE ARG A 171 70.172 -12.847 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 171 72.868 -14.187 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 171 72.859 -13.779 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 171 70.389 -11.328 4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 171 71.469 -12.176 5.538 1.00 0.00 H new ATOM 1206 N ALA A 172 72.995 -7.126 -1.895 1.00 0.00 N ATOM 1207 CA ALA A 172 74.088 -6.681 -2.802 1.00 0.00 C ATOM 1208 C ALA A 172 74.145 -7.587 -4.038 1.00 0.00 C ATOM 1209 O ALA A 172 73.599 -8.671 -4.046 1.00 0.00 O ATOM 1210 CB ALA A 172 75.362 -6.819 -1.971 1.00 0.00 C ATOM 0 H ALA A 172 72.310 -6.409 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 172 73.946 -5.662 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.221 -6.510 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.289 -6.188 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 172 75.487 -7.858 -1.666 1.00 0.00 H new TER 1216 ALA A 172