USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 371 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 104 HIS : no HD1:sc= -2.37! C(o=-4.4!,f=-6.2!) USER MOD Set 1.2: A 173 ASN : amide:sc= -2.05 K(o=-4.4,f=-11!) USER MOD Single : A 100 MET CE :methyl 163:sc= -0.0219 (180deg=-0.514) USER MOD Single : A 105 GLN : amide:sc= -1.96 K(o=-2,f=-11!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 122 SER OG : rot -5:sc= -0.229 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 127 THR OG1 : rot 130:sc= -0.73 USER MOD Single : A 128 THR OG1 : rot -49:sc= -0.0295 USER MOD Single : A 130 THR OG1 : rot 22:sc= -0.208 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 146:sc= -1.03 (180deg=-3.78!) USER MOD Single : A 145 MET CE :methyl 159:sc= -0.0572 (180deg=-0.346) USER MOD Single : A 147 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.058) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.8) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 174 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.757 -0.859 -0.092 1.00 0.00 N ATOM 2 CA MET A 100 2.849 -1.111 -1.026 1.00 0.00 C ATOM 3 C MET A 100 2.586 -2.373 -1.842 1.00 0.00 C ATOM 4 O MET A 100 3.060 -3.456 -1.498 1.00 0.00 O ATOM 5 CB MET A 100 4.173 -1.245 -0.271 1.00 0.00 C ATOM 6 CG MET A 100 4.822 0.089 0.060 1.00 0.00 C ATOM 7 SD MET A 100 6.533 -0.086 0.601 1.00 0.00 S ATOM 8 CE MET A 100 7.405 0.214 -0.934 1.00 0.00 C ATOM 0 HA MET A 100 2.912 -0.264 -1.709 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.000 -1.795 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.865 -1.838 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.787 0.734 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.247 0.584 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.450 0.440 -0.721 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.347 -0.673 -1.565 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.950 1.058 -1.452 1.00 0.00 H new ATOM 18 N ILE A 101 1.828 -2.225 -2.923 1.00 0.00 N ATOM 19 CA ILE A 101 1.503 -3.353 -3.787 1.00 0.00 C ATOM 20 C ILE A 101 2.112 -3.175 -5.174 1.00 0.00 C ATOM 21 O ILE A 101 2.569 -2.088 -5.528 1.00 0.00 O ATOM 22 CB ILE A 101 -0.020 -3.535 -3.927 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.561 -2.646 -5.049 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.714 -3.217 -2.611 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.070 -2.551 -5.071 1.00 0.00 C ATOM 0 H ILE A 101 1.428 -1.336 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 101 1.925 -4.242 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.225 -4.575 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.144 -1.645 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.216 -3.034 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.790 -3.350 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.346 -3.887 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.504 -2.185 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.382 -1.905 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.495 -3.545 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.422 -2.134 -4.127 1.00 0.00 H new ATOM 37 N TRP A 102 2.113 -4.249 -5.955 1.00 0.00 N ATOM 38 CA TRP A 102 2.664 -4.212 -7.305 1.00 0.00 C ATOM 39 C TRP A 102 1.565 -3.975 -8.335 1.00 0.00 C ATOM 40 O TRP A 102 0.484 -4.558 -8.249 1.00 0.00 O ATOM 41 CB TRP A 102 3.398 -5.517 -7.615 1.00 0.00 C ATOM 42 CG TRP A 102 4.423 -5.881 -6.584 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.188 -6.387 -5.337 1.00 0.00 C ATOM 44 CD2 TRP A 102 5.844 -5.766 -6.710 1.00 0.00 C ATOM 45 NE1 TRP A 102 5.377 -6.593 -4.681 1.00 0.00 N ATOM 46 CE2 TRP A 102 6.409 -6.220 -5.502 1.00 0.00 C ATOM 47 CE3 TRP A 102 6.696 -5.325 -7.727 1.00 0.00 C ATOM 48 CZ2 TRP A 102 7.784 -6.244 -5.286 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.060 -5.349 -7.510 1.00 0.00 C ATOM 50 CH2 TRP A 102 8.594 -5.806 -6.298 1.00 0.00 C ATOM 0 H TRP A 102 1.739 -5.156 -5.677 1.00 0.00 H new ATOM 0 HA TRP A 102 3.371 -3.385 -7.359 1.00 0.00 H new ATOM 0 HB2 TRP A 102 2.670 -6.325 -7.695 1.00 0.00 H new ATOM 0 HB3 TRP A 102 3.885 -5.430 -8.586 1.00 0.00 H new ATOM 0 HD1 TRP A 102 3.211 -6.595 -4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 102 5.476 -6.964 -3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.295 -4.972 -8.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 8.197 -6.596 -4.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.727 -5.009 -8.289 1.00 0.00 H new ATOM 0 HH2 TRP A 102 9.665 -5.813 -6.160 1.00 0.00 H new ATOM 61 N CYS A 103 1.848 -3.117 -9.310 1.00 0.00 N ATOM 62 CA CYS A 103 0.883 -2.803 -10.357 1.00 0.00 C ATOM 63 C CYS A 103 1.588 -2.535 -11.683 1.00 0.00 C ATOM 64 O CYS A 103 2.811 -2.646 -11.782 1.00 0.00 O ATOM 65 CB CYS A 103 0.043 -1.588 -9.958 1.00 0.00 C ATOM 66 SG CYS A 103 -0.906 -1.812 -8.420 1.00 0.00 S ATOM 0 H CYS A 103 2.738 -2.627 -9.397 1.00 0.00 H new ATOM 0 HA CYS A 103 0.227 -3.664 -10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.701 -0.727 -9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.648 -1.356 -10.768 1.00 0.00 H new ATOM 71 N HIS A 104 0.809 -2.182 -12.701 1.00 0.00 N ATOM 72 CA HIS A 104 1.359 -1.897 -14.021 1.00 0.00 C ATOM 73 C HIS A 104 1.563 -0.397 -14.213 1.00 0.00 C ATOM 74 O HIS A 104 0.610 0.380 -14.155 1.00 0.00 O ATOM 75 CB HIS A 104 0.433 -2.440 -15.110 1.00 0.00 C ATOM 76 CG HIS A 104 0.313 -3.933 -15.103 1.00 0.00 C ATOM 77 ND1 HIS A 104 1.361 -4.774 -15.412 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.741 -4.735 -14.822 1.00 0.00 C ATOM 79 CE1 HIS A 104 0.957 -6.029 -15.321 1.00 0.00 C ATOM 80 NE2 HIS A 104 -0.314 -6.032 -14.965 1.00 0.00 N ATOM 0 H HIS A 104 -0.204 -2.087 -12.637 1.00 0.00 H new ATOM 0 HA HIS A 104 2.328 -2.390 -14.098 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.558 -2.003 -14.984 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.802 -2.118 -16.084 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.733 -4.414 -14.538 1.00 0.00 H new ATOM 0 HE1 HIS A 104 1.563 -6.903 -15.506 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.886 -6.864 -14.820 1.00 0.00 H new ATOM 88 N GLN A 105 2.810 0.002 -14.440 1.00 0.00 N ATOM 89 CA GLN A 105 3.138 1.409 -14.638 1.00 0.00 C ATOM 90 C GLN A 105 3.621 1.660 -16.063 1.00 0.00 C ATOM 91 O GLN A 105 4.597 2.378 -16.281 1.00 0.00 O ATOM 92 CB GLN A 105 4.209 1.850 -13.639 1.00 0.00 C ATOM 93 CG GLN A 105 3.882 1.492 -12.198 1.00 0.00 C ATOM 94 CD GLN A 105 4.208 0.049 -11.867 1.00 0.00 C ATOM 95 OE1 GLN A 105 4.804 -0.666 -12.673 1.00 0.00 O ATOM 96 NE2 GLN A 105 3.817 -0.388 -10.675 1.00 0.00 N ATOM 0 H GLN A 105 3.610 -0.629 -14.491 1.00 0.00 H new ATOM 0 HA GLN A 105 2.233 1.994 -14.472 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.159 1.391 -13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.343 2.929 -13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.438 2.149 -11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.823 1.673 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.326 0.239 -10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.008 -1.351 -10.397 1.00 0.00 H new ATOM 105 N CYS A 106 2.931 1.064 -17.029 1.00 0.00 N ATOM 106 CA CYS A 106 3.289 1.221 -18.434 1.00 0.00 C ATOM 107 C CYS A 106 2.755 2.540 -18.986 1.00 0.00 C ATOM 108 O CYS A 106 1.821 3.125 -18.436 1.00 0.00 O ATOM 109 CB CYS A 106 2.741 0.053 -19.256 1.00 0.00 C ATOM 110 SG CYS A 106 3.742 -0.360 -20.721 1.00 0.00 S ATOM 0 H CYS A 106 2.120 0.467 -16.865 1.00 0.00 H new ATOM 0 HA CYS A 106 4.376 1.229 -18.507 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.672 -0.827 -18.616 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.728 0.293 -19.578 1.00 0.00 H new ATOM 115 N THR A 107 3.355 3.004 -20.078 1.00 0.00 N ATOM 116 CA THR A 107 2.942 4.253 -20.705 1.00 0.00 C ATOM 117 C THR A 107 1.648 4.073 -21.490 1.00 0.00 C ATOM 118 O THR A 107 0.653 4.749 -21.229 1.00 0.00 O ATOM 119 CB THR A 107 4.031 4.794 -21.651 1.00 0.00 C ATOM 120 OG1 THR A 107 5.328 4.452 -21.150 1.00 0.00 O ATOM 121 CG2 THR A 107 3.920 6.304 -21.796 1.00 0.00 C ATOM 0 H THR A 107 4.129 2.533 -20.546 1.00 0.00 H new ATOM 0 HA THR A 107 2.779 4.971 -19.901 1.00 0.00 H new ATOM 0 HB THR A 107 3.889 4.339 -22.631 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.015 4.798 -21.757 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.699 6.663 -22.468 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.942 6.559 -22.204 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.039 6.773 -20.819 1.00 0.00 H new ATOM 129 N GLY A 108 1.667 3.156 -22.452 1.00 0.00 N ATOM 130 CA GLY A 108 0.488 2.903 -23.260 1.00 0.00 C ATOM 131 C GLY A 108 0.816 2.747 -24.731 1.00 0.00 C ATOM 132 O GLY A 108 0.881 3.732 -25.468 1.00 0.00 O ATOM 0 H GLY A 108 2.478 2.583 -22.687 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.006 1.999 -22.903 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.218 3.723 -23.133 1.00 0.00 H new ATOM 136 N PHE A 109 1.025 1.507 -25.162 1.00 0.00 N ATOM 137 CA PHE A 109 1.350 1.227 -26.555 1.00 0.00 C ATOM 138 C PHE A 109 0.891 -0.174 -26.950 1.00 0.00 C ATOM 139 O PHE A 109 1.684 -1.114 -26.978 1.00 0.00 O ATOM 140 CB PHE A 109 2.856 1.366 -26.787 1.00 0.00 C ATOM 141 CG PHE A 109 3.385 2.739 -26.485 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.092 3.807 -27.316 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.176 2.960 -25.369 1.00 0.00 C ATOM 144 CE1 PHE A 109 3.576 5.072 -27.041 1.00 0.00 C ATOM 145 CE2 PHE A 109 4.663 4.223 -25.088 1.00 0.00 C ATOM 146 CZ PHE A 109 4.364 5.280 -25.925 1.00 0.00 C ATOM 0 H PHE A 109 0.975 0.681 -24.566 1.00 0.00 H new ATOM 0 HA PHE A 109 0.825 1.951 -27.177 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.380 0.639 -26.166 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.080 1.119 -27.825 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.478 3.650 -28.190 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.415 2.137 -24.712 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.339 5.896 -27.697 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.277 4.383 -24.214 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.745 6.267 -25.708 1.00 0.00 H new ATOM 156 N GLY A 110 -0.397 -0.305 -27.253 1.00 0.00 N ATOM 157 CA GLY A 110 -0.941 -1.593 -27.640 1.00 0.00 C ATOM 158 C GLY A 110 -1.258 -2.471 -26.446 1.00 0.00 C ATOM 159 O GLY A 110 -1.242 -3.697 -26.547 1.00 0.00 O ATOM 0 H GLY A 110 -1.073 0.458 -27.237 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.848 -1.440 -28.225 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.228 -2.106 -28.285 1.00 0.00 H new ATOM 163 N GLY A 111 -1.547 -1.843 -25.311 1.00 0.00 N ATOM 164 CA GLY A 111 -1.863 -2.591 -24.108 1.00 0.00 C ATOM 165 C GLY A 111 -0.641 -3.240 -23.491 1.00 0.00 C ATOM 166 O GLY A 111 -0.703 -4.375 -23.017 1.00 0.00 O ATOM 0 H GLY A 111 -1.568 -0.829 -25.203 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.323 -1.924 -23.379 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.598 -3.360 -24.345 1.00 0.00 H new ATOM 170 N CYS A 112 0.476 -2.520 -23.498 1.00 0.00 N ATOM 171 CA CYS A 112 1.720 -3.033 -22.936 1.00 0.00 C ATOM 172 C CYS A 112 1.537 -3.421 -21.472 1.00 0.00 C ATOM 173 O CYS A 112 0.435 -3.336 -20.930 1.00 0.00 O ATOM 174 CB CYS A 112 2.830 -1.987 -23.063 1.00 0.00 C ATOM 175 SG CYS A 112 2.460 -0.407 -22.235 1.00 0.00 S ATOM 0 H CYS A 112 0.545 -1.579 -23.887 1.00 0.00 H new ATOM 0 HA CYS A 112 2.003 -3.924 -23.497 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.750 -2.397 -22.646 1.00 0.00 H new ATOM 0 HB3 CYS A 112 3.016 -1.796 -24.120 1.00 0.00 H new ATOM 180 N SER A 113 2.625 -3.848 -20.838 1.00 0.00 N ATOM 181 CA SER A 113 2.584 -4.254 -19.438 1.00 0.00 C ATOM 182 C SER A 113 3.903 -3.934 -18.742 1.00 0.00 C ATOM 183 O SER A 113 4.937 -3.771 -19.390 1.00 0.00 O ATOM 184 CB SER A 113 2.284 -5.750 -19.327 1.00 0.00 C ATOM 185 OG SER A 113 3.180 -6.510 -20.120 1.00 0.00 O ATOM 0 H SER A 113 3.545 -3.922 -21.272 1.00 0.00 H new ATOM 0 HA SER A 113 1.788 -3.695 -18.946 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.360 -6.063 -18.286 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.259 -5.943 -19.644 1.00 0.00 H new ATOM 0 HG SER A 113 2.969 -7.463 -20.031 1.00 0.00 H new ATOM 191 N HIS A 114 3.859 -3.847 -17.416 1.00 0.00 N ATOM 192 CA HIS A 114 5.050 -3.547 -16.629 1.00 0.00 C ATOM 193 C HIS A 114 4.750 -3.629 -15.136 1.00 0.00 C ATOM 194 O HIS A 114 4.563 -2.610 -14.473 1.00 0.00 O ATOM 195 CB HIS A 114 5.582 -2.157 -16.979 1.00 0.00 C ATOM 196 CG HIS A 114 7.039 -1.981 -16.683 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.551 -0.862 -16.060 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.096 -2.791 -16.925 1.00 0.00 C ATOM 199 CE1 HIS A 114 8.860 -0.991 -15.935 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.216 -2.153 -16.451 1.00 0.00 N ATOM 0 H HIS A 114 3.012 -3.980 -16.864 1.00 0.00 H new ATOM 0 HA HIS A 114 5.811 -4.290 -16.870 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.410 -1.967 -18.038 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.014 -1.410 -16.425 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.065 -3.759 -17.402 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.526 -0.268 -15.487 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.168 -2.517 -16.491 1.00 0.00 H new ATOM 208 N GLY A 115 4.705 -4.851 -14.612 1.00 0.00 N ATOM 209 CA GLY A 115 4.426 -5.043 -13.201 1.00 0.00 C ATOM 210 C GLY A 115 5.581 -4.616 -12.318 1.00 0.00 C ATOM 211 O GLY A 115 6.585 -5.320 -12.214 1.00 0.00 O ATOM 0 H GLY A 115 4.857 -5.711 -15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.536 -4.475 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.202 -6.094 -13.018 1.00 0.00 H new ATOM 215 N SER A 116 5.442 -3.457 -11.682 1.00 0.00 N ATOM 216 CA SER A 116 6.485 -2.934 -10.808 1.00 0.00 C ATOM 217 C SER A 116 5.906 -2.518 -9.459 1.00 0.00 C ATOM 218 O SER A 116 4.693 -2.559 -9.253 1.00 0.00 O ATOM 219 CB SER A 116 7.181 -1.741 -11.466 1.00 0.00 C ATOM 220 OG SER A 116 8.536 -1.654 -11.063 1.00 0.00 O ATOM 0 H SER A 116 4.617 -2.862 -11.756 1.00 0.00 H new ATOM 0 HA SER A 116 7.215 -3.726 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.127 -1.837 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.660 -0.821 -11.201 1.00 0.00 H new ATOM 0 HG SER A 116 8.958 -0.885 -11.499 1.00 0.00 H new ATOM 226 N ARG A 117 6.783 -2.120 -8.543 1.00 0.00 N ATOM 227 CA ARG A 117 6.360 -1.698 -7.213 1.00 0.00 C ATOM 228 C ARG A 117 5.787 -0.284 -7.248 1.00 0.00 C ATOM 229 O ARG A 117 6.241 0.563 -8.018 1.00 0.00 O ATOM 230 CB ARG A 117 7.537 -1.759 -6.237 1.00 0.00 C ATOM 231 CG ARG A 117 8.799 -1.097 -6.764 1.00 0.00 C ATOM 232 CD ARG A 117 9.737 -2.111 -7.399 1.00 0.00 C ATOM 233 NE ARG A 117 10.522 -1.526 -8.483 1.00 0.00 N ATOM 234 CZ ARG A 117 11.623 -0.809 -8.289 1.00 0.00 C ATOM 235 NH1 ARG A 117 12.067 -0.588 -7.060 1.00 0.00 N ATOM 236 NH2 ARG A 117 12.283 -0.310 -9.327 1.00 0.00 N ATOM 0 H ARG A 117 7.790 -2.081 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 117 5.580 -2.379 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.248 -1.279 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.753 -2.802 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.533 -0.337 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.311 -0.587 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.409 -2.509 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.157 -2.950 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 117 10.207 -1.676 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.563 -0.969 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.913 -0.037 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.945 -0.477 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.128 0.241 -9.177 1.00 0.00 H new ATOM 250 N CYS A 118 4.787 -0.036 -6.409 1.00 0.00 N ATOM 251 CA CYS A 118 4.150 1.274 -6.343 1.00 0.00 C ATOM 252 C CYS A 118 4.770 2.125 -5.238 1.00 0.00 C ATOM 253 O CYS A 118 5.648 1.667 -4.505 1.00 0.00 O ATOM 254 CB CYS A 118 2.647 1.122 -6.102 1.00 0.00 C ATOM 255 SG CYS A 118 1.754 0.308 -7.466 1.00 0.00 S ATOM 0 H CYS A 118 4.400 -0.726 -5.765 1.00 0.00 H new ATOM 0 HA CYS A 118 4.309 1.776 -7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.493 0.549 -5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.215 2.109 -5.937 1.00 0.00 H new ATOM 260 N LEU A 119 4.308 3.365 -5.125 1.00 0.00 N ATOM 261 CA LEU A 119 4.816 4.281 -4.110 1.00 0.00 C ATOM 262 C LEU A 119 4.302 3.899 -2.725 1.00 0.00 C ATOM 263 O LEU A 119 3.157 3.471 -2.574 1.00 0.00 O ATOM 264 CB LEU A 119 4.406 5.718 -4.440 1.00 0.00 C ATOM 265 CG LEU A 119 5.402 6.525 -5.273 1.00 0.00 C ATOM 266 CD1 LEU A 119 6.149 5.617 -6.239 1.00 0.00 C ATOM 267 CD2 LEU A 119 4.688 7.637 -6.028 1.00 0.00 C ATOM 0 H LEU A 119 3.582 3.759 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 119 5.904 4.212 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.456 5.690 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.231 6.249 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 119 6.128 6.979 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.853 6.209 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.692 4.857 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.437 5.134 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 119 5.412 8.201 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.940 7.204 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.199 8.304 -5.317 1.00 0.00 H new ATOM 279 N ARG A 120 5.154 4.059 -1.718 1.00 0.00 N ATOM 280 CA ARG A 120 4.786 3.732 -0.346 1.00 0.00 C ATOM 281 C ARG A 120 3.440 4.352 0.018 1.00 0.00 C ATOM 282 O ARG A 120 2.679 3.790 0.805 1.00 0.00 O ATOM 283 CB ARG A 120 5.864 4.219 0.624 1.00 0.00 C ATOM 284 CG ARG A 120 7.195 3.503 0.464 1.00 0.00 C ATOM 285 CD ARG A 120 8.361 4.407 0.834 1.00 0.00 C ATOM 286 NE ARG A 120 9.617 3.667 0.932 1.00 0.00 N ATOM 287 CZ ARG A 120 10.317 3.265 -0.123 1.00 0.00 C ATOM 288 NH1 ARG A 120 9.886 3.530 -1.349 1.00 0.00 N ATOM 289 NH2 ARG A 120 11.451 2.597 0.047 1.00 0.00 N ATOM 0 H ARG A 120 6.104 4.413 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 120 4.700 2.648 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.016 5.288 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.509 4.084 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.209 2.613 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.307 3.166 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.461 5.194 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.153 4.896 1.786 1.00 0.00 H new ATOM 0 HE ARG A 120 9.976 3.447 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.015 4.044 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.425 3.220 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.786 2.392 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.988 2.289 -0.764 1.00 0.00 H new ATOM 303 N ASP A 121 3.155 5.515 -0.559 1.00 0.00 N ATOM 304 CA ASP A 121 1.902 6.212 -0.296 1.00 0.00 C ATOM 305 C ASP A 121 0.762 5.607 -1.109 1.00 0.00 C ATOM 306 O ASP A 121 -0.346 5.425 -0.604 1.00 0.00 O ATOM 307 CB ASP A 121 2.043 7.700 -0.621 1.00 0.00 C ATOM 308 CG ASP A 121 3.426 8.234 -0.301 1.00 0.00 C ATOM 309 OD1 ASP A 121 3.963 7.886 0.772 1.00 0.00 O ATOM 310 OD2 ASP A 121 3.971 8.998 -1.123 1.00 0.00 O ATOM 0 H ASP A 121 3.775 5.994 -1.212 1.00 0.00 H new ATOM 0 HA ASP A 121 1.668 6.100 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.831 7.860 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.300 8.264 -0.058 1.00 0.00 H new ATOM 315 N SER A 122 1.042 5.298 -2.372 1.00 0.00 N ATOM 316 CA SER A 122 0.039 4.718 -3.257 1.00 0.00 C ATOM 317 C SER A 122 -0.112 3.222 -3.001 1.00 0.00 C ATOM 318 O SER A 122 0.840 2.455 -3.150 1.00 0.00 O ATOM 319 CB SER A 122 0.416 4.962 -4.719 1.00 0.00 C ATOM 320 OG SER A 122 1.636 4.318 -5.045 1.00 0.00 O ATOM 0 H SER A 122 1.955 5.440 -2.805 1.00 0.00 H new ATOM 0 HA SER A 122 -0.916 5.202 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.378 4.594 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.506 6.033 -4.901 1.00 0.00 H new ATOM 0 HG SER A 122 2.022 3.920 -4.237 1.00 0.00 H new ATOM 326 N THR A 123 -1.316 2.812 -2.614 1.00 0.00 N ATOM 327 CA THR A 123 -1.592 1.409 -2.335 1.00 0.00 C ATOM 328 C THR A 123 -2.641 0.854 -3.293 1.00 0.00 C ATOM 329 O THR A 123 -3.269 -0.169 -3.017 1.00 0.00 O ATOM 330 CB THR A 123 -2.079 1.208 -0.887 1.00 0.00 C ATOM 331 OG1 THR A 123 -1.351 2.067 -0.003 1.00 0.00 O ATOM 332 CG2 THR A 123 -1.906 -0.239 -0.453 1.00 0.00 C ATOM 0 H THR A 123 -2.116 3.432 -2.487 1.00 0.00 H new ATOM 0 HA THR A 123 -0.655 0.870 -2.473 1.00 0.00 H new ATOM 0 HB THR A 123 -3.139 1.458 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 123 -1.667 1.935 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.257 -0.356 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.485 -0.888 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.852 -0.512 -0.509 1.00 0.00 H new ATOM 340 N HIS A 124 -2.826 1.535 -4.419 1.00 0.00 N ATOM 341 CA HIS A 124 -3.798 1.109 -5.419 1.00 0.00 C ATOM 342 C HIS A 124 -3.256 1.321 -6.830 1.00 0.00 C ATOM 343 O HIS A 124 -2.148 1.828 -7.010 1.00 0.00 O ATOM 344 CB HIS A 124 -5.110 1.875 -5.244 1.00 0.00 C ATOM 345 CG HIS A 124 -5.643 1.838 -3.845 1.00 0.00 C ATOM 346 ND1 HIS A 124 -5.878 2.974 -3.099 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.988 0.794 -3.056 1.00 0.00 C ATOM 348 CE1 HIS A 124 -6.343 2.629 -1.911 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.420 1.312 -1.860 1.00 0.00 N ATOM 0 H HIS A 124 -2.316 2.384 -4.662 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.985 0.045 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.957 2.913 -5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.857 1.459 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.934 -0.252 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.614 3.309 -1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.747 0.768 -1.062 1.00 0.00 H new ATOM 357 N CYS A 125 -4.043 0.930 -7.826 1.00 0.00 N ATOM 358 CA CYS A 125 -3.643 1.076 -9.220 1.00 0.00 C ATOM 359 C CYS A 125 -4.728 1.783 -10.027 1.00 0.00 C ATOM 360 O CYS A 125 -5.920 1.615 -9.766 1.00 0.00 O ATOM 361 CB CYS A 125 -3.347 -0.294 -9.834 1.00 0.00 C ATOM 362 SG CYS A 125 -2.735 -1.526 -8.640 1.00 0.00 S ATOM 0 H CYS A 125 -4.963 0.509 -7.693 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.739 1.684 -9.250 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.255 -0.675 -10.300 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.608 -0.173 -10.626 1.00 0.00 H new ATOM 367 N VAL A 126 -4.307 2.575 -11.008 1.00 0.00 N ATOM 368 CA VAL A 126 -5.242 3.307 -11.854 1.00 0.00 C ATOM 369 C VAL A 126 -5.018 2.985 -13.327 1.00 0.00 C ATOM 370 O VAL A 126 -3.923 3.179 -13.857 1.00 0.00 O ATOM 371 CB VAL A 126 -5.115 4.828 -11.647 1.00 0.00 C ATOM 372 CG1 VAL A 126 -6.137 5.570 -12.494 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.273 5.180 -10.175 1.00 0.00 C ATOM 0 H VAL A 126 -3.324 2.726 -11.236 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.244 2.991 -11.564 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.120 5.139 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -6.032 6.643 -12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.971 5.342 -13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -7.142 5.258 -12.209 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.180 6.258 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.254 4.856 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.498 4.678 -9.596 1.00 0.00 H new ATOM 383 N THR A 127 -6.063 2.493 -13.986 1.00 0.00 N ATOM 384 CA THR A 127 -5.981 2.144 -15.398 1.00 0.00 C ATOM 385 C THR A 127 -6.811 3.098 -16.250 1.00 0.00 C ATOM 386 O THR A 127 -8.022 3.220 -16.063 1.00 0.00 O ATOM 387 CB THR A 127 -6.459 0.701 -15.649 1.00 0.00 C ATOM 388 OG1 THR A 127 -6.062 -0.142 -14.562 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.889 0.161 -16.952 1.00 0.00 C ATOM 0 H THR A 127 -6.976 2.327 -13.563 1.00 0.00 H new ATOM 0 HA THR A 127 -4.932 2.226 -15.683 1.00 0.00 H new ATOM 0 HB THR A 127 -7.546 0.709 -15.723 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.835 -0.655 -14.246 1.00 0.00 H new ATOM 0 HG21 THR A 127 -6.240 -0.859 -17.108 1.00 0.00 H new ATOM 0 HG22 THR A 127 -6.218 0.788 -17.781 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.800 0.166 -16.903 1.00 0.00 H new ATOM 397 N THR A 128 -6.153 3.772 -17.188 1.00 0.00 N ATOM 398 CA THR A 128 -6.830 4.716 -18.068 1.00 0.00 C ATOM 399 C THR A 128 -6.504 4.435 -19.530 1.00 0.00 C ATOM 400 O THR A 128 -5.337 4.309 -19.902 1.00 0.00 O ATOM 401 CB THR A 128 -6.444 6.170 -17.737 1.00 0.00 C ATOM 402 OG1 THR A 128 -5.124 6.447 -18.219 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.505 6.418 -16.238 1.00 0.00 C ATOM 0 H THR A 128 -5.151 3.681 -17.358 1.00 0.00 H new ATOM 0 HA THR A 128 -7.900 4.587 -17.906 1.00 0.00 H new ATOM 0 HB THR A 128 -7.156 6.833 -18.227 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.514 5.737 -17.929 1.00 0.00 H new ATOM 0 HG21 THR A 128 -6.228 7.451 -16.029 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.518 6.234 -15.880 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.813 5.747 -15.730 1.00 0.00 H new ATOM 411 N ALA A 129 -7.541 4.339 -20.356 1.00 0.00 N ATOM 412 CA ALA A 129 -7.363 4.076 -21.778 1.00 0.00 C ATOM 413 C ALA A 129 -7.615 5.332 -22.605 1.00 0.00 C ATOM 414 O ALA A 129 -8.653 5.981 -22.467 1.00 0.00 O ATOM 415 CB ALA A 129 -8.287 2.953 -22.226 1.00 0.00 C ATOM 0 H ALA A 129 -8.513 4.440 -20.064 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.330 3.768 -21.939 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.144 2.767 -23.290 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.057 2.047 -21.665 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.323 3.240 -22.044 1.00 0.00 H new ATOM 421 N THR A 130 -6.659 5.672 -23.463 1.00 0.00 N ATOM 422 CA THR A 130 -6.777 6.852 -24.311 1.00 0.00 C ATOM 423 C THR A 130 -6.531 6.505 -25.774 1.00 0.00 C ATOM 424 O THR A 130 -6.096 5.398 -26.095 1.00 0.00 O ATOM 425 CB THR A 130 -5.787 7.952 -23.883 1.00 0.00 C ATOM 426 OG1 THR A 130 -4.614 7.361 -23.312 1.00 0.00 O ATOM 427 CG2 THR A 130 -6.427 8.894 -22.875 1.00 0.00 C ATOM 0 H THR A 130 -5.794 5.147 -23.589 1.00 0.00 H new ATOM 0 HA THR A 130 -7.795 7.224 -24.195 1.00 0.00 H new ATOM 0 HB THR A 130 -5.511 8.525 -24.768 1.00 0.00 H new ATOM 0 HG1 THR A 130 -4.530 6.435 -23.622 1.00 0.00 H new ATOM 0 HG21 THR A 130 -5.709 9.662 -22.588 1.00 0.00 H new ATOM 0 HG22 THR A 130 -7.303 9.365 -23.322 1.00 0.00 H new ATOM 0 HG23 THR A 130 -6.729 8.331 -21.992 1.00 0.00 H new ATOM 579 N PRO A 140 -3.985 3.070 -29.602 1.00 0.00 N ATOM 580 CA PRO A 140 -4.423 3.533 -28.282 1.00 0.00 C ATOM 581 C PRO A 140 -3.254 3.768 -27.332 1.00 0.00 C ATOM 582 O PRO A 140 -2.113 3.418 -27.638 1.00 0.00 O ATOM 583 CB PRO A 140 -5.300 2.385 -27.776 1.00 0.00 C ATOM 584 CG PRO A 140 -4.800 1.180 -28.496 1.00 0.00 C ATOM 585 CD PRO A 140 -4.348 1.664 -29.846 1.00 0.00 C ATOM 0 HA PRO A 140 -4.941 4.491 -28.338 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -5.212 2.266 -26.696 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -6.353 2.566 -27.992 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -3.978 0.714 -27.953 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -5.584 0.429 -28.593 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -3.499 1.088 -30.215 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -5.140 1.577 -30.590 1.00 0.00 H new ATOM 593 N LEU A 141 -3.544 4.362 -26.180 1.00 0.00 N ATOM 594 CA LEU A 141 -2.515 4.643 -25.184 1.00 0.00 C ATOM 595 C LEU A 141 -2.977 4.225 -23.792 1.00 0.00 C ATOM 596 O LEU A 141 -3.717 4.951 -23.128 1.00 0.00 O ATOM 597 CB LEU A 141 -2.164 6.132 -25.192 1.00 0.00 C ATOM 598 CG LEU A 141 -0.704 6.478 -24.898 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.392 7.899 -25.343 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.401 6.303 -23.417 1.00 0.00 C ATOM 0 H LEU A 141 -4.482 4.658 -25.912 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.627 4.065 -25.441 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.424 6.541 -26.168 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.791 6.637 -24.457 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.069 5.794 -25.461 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.651 8.127 -25.126 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.568 7.992 -26.415 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.035 8.597 -24.808 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.643 6.554 -23.227 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.044 6.962 -22.834 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.584 5.268 -23.128 1.00 0.00 H new ATOM 612 N VAL A 142 -2.532 3.051 -23.354 1.00 0.00 N ATOM 613 CA VAL A 142 -2.897 2.538 -22.039 1.00 0.00 C ATOM 614 C VAL A 142 -1.989 3.109 -20.955 1.00 0.00 C ATOM 615 O VAL A 142 -0.865 2.645 -20.763 1.00 0.00 O ATOM 616 CB VAL A 142 -2.823 1.000 -21.997 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.328 0.477 -20.660 1.00 0.00 C ATOM 618 CG2 VAL A 142 -3.614 0.397 -23.148 1.00 0.00 C ATOM 0 H VAL A 142 -1.918 2.438 -23.891 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.924 2.851 -21.851 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.781 0.701 -22.107 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.268 -0.611 -20.649 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.714 0.882 -19.855 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.364 0.785 -20.517 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -3.551 -0.690 -23.103 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.657 0.703 -23.072 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.201 0.745 -24.095 1.00 0.00 H new ATOM 628 N THR A 143 -2.485 4.120 -20.248 1.00 0.00 N ATOM 629 CA THR A 143 -1.719 4.756 -19.184 1.00 0.00 C ATOM 630 C THR A 143 -2.087 4.178 -17.821 1.00 0.00 C ATOM 631 O THR A 143 -3.142 4.489 -17.268 1.00 0.00 O ATOM 632 CB THR A 143 -1.946 6.279 -19.161 1.00 0.00 C ATOM 633 OG1 THR A 143 -2.217 6.754 -20.485 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.731 6.999 -18.597 1.00 0.00 C ATOM 0 H THR A 143 -3.414 4.516 -20.393 1.00 0.00 H new ATOM 0 HA THR A 143 -0.667 4.556 -19.389 1.00 0.00 H new ATOM 0 HB THR A 143 -2.802 6.487 -18.519 1.00 0.00 H new ATOM 0 HG1 THR A 143 -2.362 7.723 -20.462 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.915 8.073 -18.591 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.545 6.657 -17.579 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.140 6.784 -19.217 1.00 0.00 H new ATOM 642 N LYS A 144 -1.209 3.337 -17.284 1.00 0.00 N ATOM 643 CA LYS A 144 -1.440 2.717 -15.985 1.00 0.00 C ATOM 644 C LYS A 144 -0.449 3.239 -14.950 1.00 0.00 C ATOM 645 O LYS A 144 0.698 3.546 -15.274 1.00 0.00 O ATOM 646 CB LYS A 144 -1.324 1.195 -16.096 1.00 0.00 C ATOM 647 CG LYS A 144 -2.291 0.583 -17.094 1.00 0.00 C ATOM 648 CD LYS A 144 -1.789 -0.757 -17.606 1.00 0.00 C ATOM 649 CE LYS A 144 -0.703 -0.582 -18.656 1.00 0.00 C ATOM 650 NZ LYS A 144 0.260 -1.717 -18.653 1.00 0.00 N ATOM 0 H LYS A 144 -0.331 3.069 -17.729 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.448 2.976 -15.660 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -0.305 0.937 -16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.499 0.753 -15.115 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.266 0.452 -16.624 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.430 1.265 -17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -1.400 -1.343 -16.773 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.620 -1.320 -18.031 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -1.161 -0.497 -19.641 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -0.167 0.349 -18.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 0.588 -1.897 -19.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 1.074 -1.480 -18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -0.208 -2.569 -18.283 1.00 0.00 H new ATOM 664 N MET A 145 -0.898 3.335 -13.703 1.00 0.00 N ATOM 665 CA MET A 145 -0.049 3.817 -12.620 1.00 0.00 C ATOM 666 C MET A 145 -0.639 3.451 -11.262 1.00 0.00 C ATOM 667 O MET A 145 -1.566 2.645 -11.173 1.00 0.00 O ATOM 668 CB MET A 145 0.129 5.333 -12.719 1.00 0.00 C ATOM 669 CG MET A 145 -1.034 6.121 -12.138 1.00 0.00 C ATOM 670 SD MET A 145 -1.292 7.697 -12.976 1.00 0.00 S ATOM 671 CE MET A 145 -1.948 7.141 -14.547 1.00 0.00 C ATOM 0 H MET A 145 -1.845 3.085 -13.417 1.00 0.00 H new ATOM 0 HA MET A 145 0.925 3.337 -12.715 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.045 5.618 -12.201 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.256 5.608 -13.766 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.943 5.524 -12.207 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.852 6.303 -11.079 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.495 7.956 -15.022 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.128 6.829 -15.194 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.621 6.299 -14.383 1.00 0.00 H new ATOM 681 N CYS A 146 -0.097 4.047 -10.205 1.00 0.00 N ATOM 682 CA CYS A 146 -0.569 3.783 -8.852 1.00 0.00 C ATOM 683 C CYS A 146 -1.014 5.074 -8.169 1.00 0.00 C ATOM 684 O CYS A 146 -0.541 6.161 -8.504 1.00 0.00 O ATOM 685 CB CYS A 146 0.531 3.111 -8.027 1.00 0.00 C ATOM 686 SG CYS A 146 1.430 1.800 -8.917 1.00 0.00 S ATOM 0 H CYS A 146 0.670 4.717 -10.260 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.426 3.113 -8.918 1.00 0.00 H new ATOM 0 HB2 CYS A 146 1.243 3.870 -7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 146 0.087 2.686 -7.127 1.00 0.00 H new ATOM 691 N HIS A 147 -1.926 4.946 -7.211 1.00 0.00 N ATOM 692 CA HIS A 147 -2.435 6.102 -6.481 1.00 0.00 C ATOM 693 C HIS A 147 -3.060 5.675 -5.156 1.00 0.00 C ATOM 694 O HIS A 147 -3.253 4.485 -4.905 1.00 0.00 O ATOM 695 CB HIS A 147 -3.464 6.853 -7.325 1.00 0.00 C ATOM 696 CG HIS A 147 -3.510 8.323 -7.045 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.609 9.220 -7.580 1.00 0.00 N ATOM 698 CD2 HIS A 147 -4.357 9.053 -6.282 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.900 10.438 -7.157 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.957 10.364 -6.368 1.00 0.00 N ATOM 0 H HIS A 147 -2.328 4.054 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.596 6.766 -6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.238 6.699 -8.380 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.451 6.426 -7.145 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.192 8.675 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -2.365 11.340 -7.413 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -4.403 11.152 -5.899 1.00 0.00 H new ATOM 708 N ILE A 148 -3.374 6.653 -4.313 1.00 0.00 N ATOM 709 CA ILE A 148 -3.978 6.378 -3.015 1.00 0.00 C ATOM 710 C ILE A 148 -5.500 6.387 -3.104 1.00 0.00 C ATOM 711 O ILE A 148 -6.180 6.941 -2.241 1.00 0.00 O ATOM 712 CB ILE A 148 -3.530 7.403 -1.957 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.039 7.709 -2.110 1.00 0.00 C ATOM 714 CG2 ILE A 148 -3.830 6.886 -0.558 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.512 8.681 -1.078 1.00 0.00 C ATOM 0 H ILE A 148 -3.220 7.643 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.640 5.386 -2.713 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.088 8.327 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.476 6.778 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.860 8.116 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -3.508 7.622 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -4.902 6.715 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.296 5.950 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.449 8.851 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.048 9.626 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -1.659 8.267 -0.080 1.00 0.00 H new ATOM 727 N GLY A 149 -6.030 5.767 -4.155 1.00 0.00 N ATOM 728 CA GLY A 149 -7.469 5.714 -4.336 1.00 0.00 C ATOM 729 C GLY A 149 -7.865 5.608 -5.796 1.00 0.00 C ATOM 730 O GLY A 149 -7.587 4.603 -6.451 1.00 0.00 O ATOM 0 H GLY A 149 -5.489 5.301 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -7.870 4.859 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.920 6.607 -3.904 1.00 0.00 H new ATOM 734 N CYS A 150 -8.519 6.646 -6.306 1.00 0.00 N ATOM 735 CA CYS A 150 -8.957 6.665 -7.697 1.00 0.00 C ATOM 736 C CYS A 150 -9.166 8.097 -8.181 1.00 0.00 C ATOM 737 O CYS A 150 -10.274 8.632 -8.155 1.00 0.00 O ATOM 738 CB CYS A 150 -10.253 5.867 -7.856 1.00 0.00 C ATOM 739 SG CYS A 150 -10.991 5.972 -9.518 1.00 0.00 S ATOM 0 H CYS A 150 -8.757 7.485 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.178 6.205 -8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -10.054 4.821 -7.624 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.979 6.223 -7.125 1.00 0.00 H new ATOM 917 N SER A 163 -11.682 6.423 -20.700 1.00 0.00 N ATOM 918 CA SER A 163 -12.364 5.734 -19.610 1.00 0.00 C ATOM 919 C SER A 163 -11.401 5.446 -18.463 1.00 0.00 C ATOM 920 O SER A 163 -10.290 4.960 -18.677 1.00 0.00 O ATOM 921 CB SER A 163 -12.983 4.428 -20.112 1.00 0.00 C ATOM 922 OG SER A 163 -14.149 4.100 -19.376 1.00 0.00 O ATOM 0 HA SER A 163 -13.157 6.385 -19.241 1.00 0.00 H new ATOM 0 HB2 SER A 163 -13.231 4.522 -21.169 1.00 0.00 H new ATOM 0 HB3 SER A 163 -12.256 3.621 -20.026 1.00 0.00 H new ATOM 0 HG SER A 163 -14.526 3.262 -19.717 1.00 0.00 H new ATOM 928 N ILE A 164 -11.835 5.751 -17.244 1.00 0.00 N ATOM 929 CA ILE A 164 -11.012 5.524 -16.062 1.00 0.00 C ATOM 930 C ILE A 164 -11.471 4.283 -15.303 1.00 0.00 C ATOM 931 O ILE A 164 -12.657 4.120 -15.019 1.00 0.00 O ATOM 932 CB ILE A 164 -11.046 6.735 -15.112 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.522 7.984 -15.824 1.00 0.00 C ATOM 934 CG2 ILE A 164 -10.228 6.450 -13.861 1.00 0.00 C ATOM 935 CD1 ILE A 164 -10.907 9.276 -15.138 1.00 0.00 C ATOM 0 H ILE A 164 -12.751 6.156 -17.049 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.990 5.376 -16.412 1.00 0.00 H new ATOM 0 HB ILE A 164 -12.079 6.916 -14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.435 7.926 -15.889 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.902 7.997 -16.845 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.262 7.315 -13.199 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.641 5.583 -13.346 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -9.194 6.247 -14.141 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.502 10.120 -15.697 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -11.993 9.356 -15.096 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.503 9.285 -14.125 1.00 0.00 H new ATOM 947 N ALA A 165 -10.522 3.412 -14.976 1.00 0.00 N ATOM 948 CA ALA A 165 -10.828 2.188 -14.246 1.00 0.00 C ATOM 949 C ALA A 165 -9.851 1.977 -13.094 1.00 0.00 C ATOM 950 O ALA A 165 -8.708 1.569 -13.304 1.00 0.00 O ATOM 951 CB ALA A 165 -10.805 0.993 -15.187 1.00 0.00 C ATOM 0 H ALA A 165 -9.535 3.531 -15.205 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.829 2.285 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -11.035 0.086 -14.629 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -11.548 1.134 -15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.816 0.902 -15.635 1.00 0.00 H new ATOM 957 N CYS A 166 -10.307 2.257 -11.878 1.00 0.00 N ATOM 958 CA CYS A 166 -9.473 2.098 -10.693 1.00 0.00 C ATOM 959 C CYS A 166 -9.822 0.812 -9.950 1.00 0.00 C ATOM 960 O CYS A 166 -10.898 0.243 -10.142 1.00 0.00 O ATOM 961 CB CYS A 166 -9.642 3.300 -9.761 1.00 0.00 C ATOM 962 SG CYS A 166 -9.615 4.910 -10.612 1.00 0.00 S ATOM 0 H CYS A 166 -11.250 2.595 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.434 2.039 -11.016 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.586 3.200 -9.225 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.848 3.282 -9.015 1.00 0.00 H new ATOM 967 N CYS A 167 -8.906 0.358 -9.101 1.00 0.00 N ATOM 968 CA CYS A 167 -9.115 -0.861 -8.330 1.00 0.00 C ATOM 969 C CYS A 167 -8.046 -1.012 -7.251 1.00 0.00 C ATOM 970 O CYS A 167 -6.882 -0.676 -7.467 1.00 0.00 O ATOM 971 CB CYS A 167 -9.101 -2.082 -9.251 1.00 0.00 C ATOM 972 SG CYS A 167 -8.059 -1.883 -10.733 1.00 0.00 S ATOM 0 H CYS A 167 -8.011 0.817 -8.930 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.089 -0.792 -7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.750 -2.946 -8.686 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -10.122 -2.299 -9.564 1.00 0.00 H new ATOM 977 N GLN A 168 -8.450 -1.519 -6.091 1.00 0.00 N ATOM 978 CA GLN A 168 -7.527 -1.714 -4.980 1.00 0.00 C ATOM 979 C GLN A 168 -6.887 -3.097 -5.040 1.00 0.00 C ATOM 980 O GLN A 168 -6.643 -3.726 -4.009 1.00 0.00 O ATOM 981 CB GLN A 168 -8.256 -1.534 -3.647 1.00 0.00 C ATOM 982 CG GLN A 168 -9.436 -2.474 -3.467 1.00 0.00 C ATOM 983 CD GLN A 168 -9.054 -3.764 -2.769 1.00 0.00 C ATOM 984 OE1 GLN A 168 -8.507 -3.748 -1.666 1.00 0.00 O ATOM 985 NE2 GLN A 168 -9.340 -4.891 -3.410 1.00 0.00 N ATOM 0 H GLN A 168 -9.410 -1.802 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.739 -0.965 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.549 -1.691 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.607 -0.505 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.212 -1.970 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.863 -2.706 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -9.794 -4.857 -4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.106 -5.790 -2.990 1.00 0.00 H new ATOM 994 N THR A 169 -6.617 -3.567 -6.254 1.00 0.00 N ATOM 995 CA THR A 169 -6.006 -4.876 -6.448 1.00 0.00 C ATOM 996 C THR A 169 -4.666 -4.756 -7.164 1.00 0.00 C ATOM 997 O THR A 169 -4.516 -3.964 -8.094 1.00 0.00 O ATOM 998 CB THR A 169 -6.926 -5.810 -7.258 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.805 -5.037 -8.082 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.741 -6.700 -6.333 1.00 0.00 C ATOM 0 H THR A 169 -6.812 -3.060 -7.118 1.00 0.00 H new ATOM 0 HA THR A 169 -5.849 -5.302 -5.457 1.00 0.00 H new ATOM 0 HB THR A 169 -6.302 -6.443 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 169 -8.385 -5.638 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 169 -8.383 -7.351 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 169 -7.069 -7.308 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 169 -8.356 -6.080 -5.681 1.00 0.00 H new ATOM 1008 N SER A 170 -3.693 -5.549 -6.725 1.00 0.00 N ATOM 1009 CA SER A 170 -2.363 -5.529 -7.322 1.00 0.00 C ATOM 1010 C SER A 170 -2.424 -5.911 -8.798 1.00 0.00 C ATOM 1011 O SER A 170 -3.090 -6.876 -9.175 1.00 0.00 O ATOM 1012 CB SER A 170 -1.431 -6.486 -6.575 1.00 0.00 C ATOM 1013 OG SER A 170 -2.034 -7.757 -6.407 1.00 0.00 O ATOM 0 H SER A 170 -3.801 -6.213 -5.958 1.00 0.00 H new ATOM 0 HA SER A 170 -1.972 -4.515 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.497 -6.593 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.180 -6.067 -5.600 1.00 0.00 H new ATOM 0 HG SER A 170 -1.418 -8.351 -5.929 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.726 -5.145 -9.629 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.700 -5.401 -11.065 1.00 0.00 C ATOM 1021 C LEU A 171 -3.114 -5.563 -11.615 1.00 0.00 C ATOM 1022 O LEU A 171 -3.352 -6.367 -12.517 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.877 -6.656 -11.365 1.00 0.00 C ATOM 1024 CG LEU A 171 0.606 -6.588 -11.000 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.225 -7.977 -11.022 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.347 -5.657 -11.949 1.00 0.00 C ATOM 0 H LEU A 171 -1.171 -4.342 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 171 -1.236 -4.544 -11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -1.324 -7.495 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.959 -6.874 -12.430 1.00 0.00 H new ATOM 0 HG LEU A 171 0.694 -6.189 -9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.281 -7.909 -10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.713 -8.615 -10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.126 -8.404 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.401 -5.621 -11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.251 -6.026 -12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 171 0.921 -4.656 -11.884 1.00 0.00 H new ATOM 1038 N CYS A 172 -4.048 -4.793 -11.068 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.438 -4.849 -11.504 1.00 0.00 C ATOM 1040 C CYS A 172 -5.640 -4.036 -12.780 1.00 0.00 C ATOM 1041 O CYS A 172 -6.756 -3.625 -13.095 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.361 -4.327 -10.402 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.299 -2.521 -10.172 1.00 0.00 S ATOM 0 H CYS A 172 -3.867 -4.122 -10.321 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.686 -5.889 -11.714 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -7.386 -4.618 -10.633 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -6.097 -4.811 -9.462 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.553 -3.807 -13.509 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.611 -3.043 -14.749 1.00 0.00 C ATOM 1050 C ASN A 173 -4.867 -3.960 -15.942 1.00 0.00 C ATOM 1051 O ASN A 173 -5.335 -3.516 -16.991 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.307 -2.270 -14.958 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.645 -1.889 -13.648 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -2.142 -2.747 -12.921 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.642 -0.598 -13.339 1.00 0.00 N ATOM 0 H ASN A 173 -3.621 -4.140 -13.262 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.437 -2.336 -14.672 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.619 -2.876 -15.547 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.511 -1.368 -15.535 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -2.211 -0.283 -12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -3.070 0.079 -13.971 1.00 0.00 H new ATOM 1062 N HIS A 174 -4.558 -5.242 -15.772 1.00 0.00 N ATOM 1063 CA HIS A 174 -4.756 -6.222 -16.834 1.00 0.00 C ATOM 1064 C HIS A 174 -5.215 -7.559 -16.260 1.00 0.00 C ATOM 1065 O HIS A 174 -4.873 -7.912 -15.131 1.00 0.00 O ATOM 1066 CB HIS A 174 -3.464 -6.412 -17.629 1.00 0.00 C ATOM 1067 CG HIS A 174 -3.173 -5.288 -18.575 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -3.196 -5.433 -19.946 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -2.851 -3.995 -18.341 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -2.900 -4.278 -20.514 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -2.687 -3.388 -19.562 1.00 0.00 N ATOM 0 H HIS A 174 -4.170 -5.626 -14.910 1.00 0.00 H new ATOM 0 HA HIS A 174 -5.532 -5.847 -17.501 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.631 -6.516 -16.934 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -3.527 -7.343 -18.192 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -3.408 -6.297 -20.444 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -2.743 -3.527 -17.374 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -2.842 -4.093 -21.576 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.992 -8.299 -17.044 1.00 0.00 N ATOM 1080 CA ASP A 175 -6.498 -9.597 -16.614 1.00 0.00 C ATOM 1081 C ASP A 175 -5.373 -10.626 -16.555 1.00 0.00 C ATOM 1082 O ASP A 175 -4.238 -10.342 -16.939 1.00 0.00 O ATOM 1083 CB ASP A 175 -7.598 -10.079 -17.561 1.00 0.00 C ATOM 1084 CG ASP A 175 -7.196 -9.969 -19.019 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -5.979 -9.940 -19.299 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -8.099 -9.911 -19.880 1.00 0.00 O ATOM 0 H ASP A 175 -6.285 -8.022 -17.981 1.00 0.00 H new ATOM 0 HA ASP A 175 -6.915 -9.484 -15.613 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -7.842 -11.116 -17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -8.502 -9.494 -17.391 1.00 0.00 H new