USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 524 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 Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= 0.473 (180deg=-0.0566) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.37) USER MOD Single : A 97 ASN : amide:sc= -14.5! C(o=-14!,f=-3.1!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.07 USER MOD Single : A 107 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.058) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 1:sc= -0.731 USER MOD Single : A 111 ASN : amide:sc= -0.63 K(o=-0.63,f=-0.044) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 137 ASN : amide:sc= -6.05! C(o=-6.1!,f=-12!) USER MOD Single : A 138 TYR OH : rot 135:sc= 0.95 USER MOD Single : A 143 LYS NZ :NH3+ 164:sc= -0.0184 (180deg=-0.344) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.086 -2.866 -0.671 1.00 0.00 N ATOM 2 CA ASP A 80 -19.805 -4.328 -0.635 1.00 0.00 C ATOM 3 C ASP A 80 -18.330 -4.565 -0.938 1.00 0.00 C ATOM 4 O ASP A 80 -17.478 -4.442 -0.057 1.00 0.00 O ATOM 5 CB ASP A 80 -20.675 -5.038 -1.675 1.00 0.00 C ATOM 6 CG ASP A 80 -22.132 -5.031 -1.227 1.00 0.00 C ATOM 7 OD1 ASP A 80 -22.375 -4.723 -0.071 1.00 0.00 O ATOM 8 OD2 ASP A 80 -22.985 -5.331 -2.046 1.00 0.00 O ATOM 0 HA ASP A 80 -20.036 -4.725 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.580 -4.541 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.332 -6.064 -1.809 1.00 0.00 H new ATOM 15 N SER A 81 -18.031 -4.911 -2.187 1.00 0.00 N ATOM 16 CA SER A 81 -16.650 -5.166 -2.581 1.00 0.00 C ATOM 17 C SER A 81 -15.796 -3.930 -2.317 1.00 0.00 C ATOM 18 O SER A 81 -14.692 -4.028 -1.784 1.00 0.00 O ATOM 19 CB SER A 81 -16.585 -5.523 -4.066 1.00 0.00 C ATOM 20 OG SER A 81 -17.347 -6.700 -4.299 1.00 0.00 O ATOM 0 H SER A 81 -18.717 -5.020 -2.934 1.00 0.00 H new ATOM 0 HA SER A 81 -16.267 -6.001 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.972 -4.700 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.550 -5.680 -4.369 1.00 0.00 H new ATOM 0 HG SER A 81 -17.309 -6.931 -5.251 1.00 0.00 H new ATOM 26 N GLU A 82 -16.309 -2.769 -2.704 1.00 0.00 N ATOM 27 CA GLU A 82 -15.580 -1.522 -2.512 1.00 0.00 C ATOM 28 C GLU A 82 -15.248 -1.324 -1.033 1.00 0.00 C ATOM 29 O GLU A 82 -14.140 -0.904 -0.687 1.00 0.00 O ATOM 30 CB GLU A 82 -16.436 -0.355 -3.038 1.00 0.00 C ATOM 31 CG GLU A 82 -15.559 0.837 -3.447 1.00 0.00 C ATOM 32 CD GLU A 82 -15.059 1.567 -2.208 1.00 0.00 C ATOM 33 OE1 GLU A 82 -15.863 2.229 -1.573 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.880 1.465 -1.919 1.00 0.00 O ATOM 0 H GLU A 82 -17.221 -2.665 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.641 -1.557 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.023 -0.688 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.142 -0.043 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.713 0.490 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.130 1.520 -4.076 1.00 0.00 H new ATOM 41 N GLU A 83 -16.202 -1.640 -0.162 1.00 0.00 N ATOM 42 CA GLU A 83 -15.986 -1.502 1.272 1.00 0.00 C ATOM 43 C GLU A 83 -14.869 -2.441 1.720 1.00 0.00 C ATOM 44 O GLU A 83 -14.041 -2.089 2.563 1.00 0.00 O ATOM 45 CB GLU A 83 -17.278 -1.834 2.023 1.00 0.00 C ATOM 46 CG GLU A 83 -18.333 -0.767 1.715 1.00 0.00 C ATOM 47 CD GLU A 83 -19.657 -1.128 2.383 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.708 -2.157 3.035 1.00 0.00 O ATOM 49 OE2 GLU A 83 -20.600 -0.369 2.231 1.00 0.00 O ATOM 0 H GLU A 83 -17.124 -1.990 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.697 -0.475 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.642 -2.818 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.088 -1.875 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.992 0.206 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.472 -0.683 0.637 1.00 0.00 H new ATOM 56 N GLU A 84 -14.842 -3.631 1.129 1.00 0.00 N ATOM 57 CA GLU A 84 -13.820 -4.615 1.450 1.00 0.00 C ATOM 58 C GLU A 84 -12.445 -4.103 1.019 1.00 0.00 C ATOM 59 O GLU A 84 -11.449 -4.313 1.707 1.00 0.00 O ATOM 60 CB GLU A 84 -14.169 -5.947 0.754 1.00 0.00 C ATOM 61 CG GLU A 84 -12.906 -6.773 0.504 1.00 0.00 C ATOM 62 CD GLU A 84 -13.272 -8.223 0.206 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.218 -8.434 -0.534 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.600 -9.100 0.723 1.00 0.00 O ATOM 0 H GLU A 84 -15.516 -3.935 0.426 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.787 -4.782 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.865 -6.515 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.673 -5.748 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.348 -6.352 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.255 -6.727 1.377 1.00 0.00 H new ATOM 71 N LEU A 85 -12.401 -3.432 -0.121 1.00 0.00 N ATOM 72 CA LEU A 85 -11.146 -2.893 -0.626 1.00 0.00 C ATOM 73 C LEU A 85 -10.573 -1.892 0.366 1.00 0.00 C ATOM 74 O LEU A 85 -9.380 -1.912 0.670 1.00 0.00 O ATOM 75 CB LEU A 85 -11.391 -2.211 -1.973 1.00 0.00 C ATOM 76 CG LEU A 85 -10.112 -1.553 -2.493 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.966 -2.578 -2.554 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.373 -0.999 -3.900 1.00 0.00 C ATOM 0 H LEU A 85 -13.212 -3.248 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.431 -3.706 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.748 -2.944 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.174 -1.460 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.825 -0.747 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.064 -2.093 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.779 -2.975 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.242 -3.393 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.466 -0.528 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.664 -1.813 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.175 -0.262 -3.858 1.00 0.00 H new ATOM 90 N LYS A 86 -11.437 -1.028 0.878 1.00 0.00 N ATOM 91 CA LYS A 86 -11.017 -0.028 1.853 1.00 0.00 C ATOM 92 C LYS A 86 -10.535 -0.703 3.133 1.00 0.00 C ATOM 93 O LYS A 86 -9.605 -0.224 3.781 1.00 0.00 O ATOM 94 CB LYS A 86 -12.161 0.938 2.149 1.00 0.00 C ATOM 95 CG LYS A 86 -12.403 1.796 0.905 1.00 0.00 C ATOM 96 CD LYS A 86 -13.505 2.829 1.167 1.00 0.00 C ATOM 97 CE LYS A 86 -14.873 2.145 1.240 1.00 0.00 C ATOM 98 NZ LYS A 86 -15.943 3.174 1.123 1.00 0.00 N ATOM 0 H LYS A 86 -12.428 -0.997 0.638 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.187 0.541 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.064 0.387 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.913 1.569 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.481 2.304 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.686 1.159 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.304 3.355 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.507 3.577 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.969 1.411 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.973 1.605 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.724 2.938 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.557 4.107 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.297 3.197 0.145 1.00 0.00 H new ATOM 112 N GLU A 87 -11.137 -1.840 3.474 1.00 0.00 N ATOM 113 CA GLU A 87 -10.697 -2.570 4.657 1.00 0.00 C ATOM 114 C GLU A 87 -9.265 -3.035 4.427 1.00 0.00 C ATOM 115 O GLU A 87 -8.401 -2.900 5.295 1.00 0.00 O ATOM 116 CB GLU A 87 -11.602 -3.772 4.932 1.00 0.00 C ATOM 117 CG GLU A 87 -12.959 -3.280 5.432 1.00 0.00 C ATOM 118 CD GLU A 87 -12.818 -2.657 6.817 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.849 -2.970 7.491 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.680 -1.876 7.185 1.00 0.00 O ATOM 0 H GLU A 87 -11.910 -2.266 2.963 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.749 -1.914 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.728 -4.362 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.143 -4.425 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.367 -2.547 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.664 -4.111 5.469 1.00 0.00 H new ATOM 127 N ALA A 88 -9.023 -3.563 3.230 1.00 0.00 N ATOM 128 CA ALA A 88 -7.692 -4.025 2.862 1.00 0.00 C ATOM 129 C ALA A 88 -6.716 -2.856 2.925 1.00 0.00 C ATOM 130 O ALA A 88 -5.599 -2.985 3.418 1.00 0.00 O ATOM 131 CB ALA A 88 -7.712 -4.606 1.447 1.00 0.00 C ATOM 0 H ALA A 88 -9.729 -3.680 2.503 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.376 -4.802 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.712 -4.949 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.406 -5.446 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.032 -3.838 0.743 1.00 0.00 H new ATOM 137 N PHE A 89 -7.159 -1.706 2.435 1.00 0.00 N ATOM 138 CA PHE A 89 -6.336 -0.507 2.454 1.00 0.00 C ATOM 139 C PHE A 89 -5.960 -0.145 3.889 1.00 0.00 C ATOM 140 O PHE A 89 -4.804 0.160 4.183 1.00 0.00 O ATOM 141 CB PHE A 89 -7.103 0.638 1.805 1.00 0.00 C ATOM 142 CG PHE A 89 -6.359 1.931 2.011 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.250 2.236 1.220 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.779 2.814 3.008 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.559 3.434 1.423 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.089 4.011 3.215 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.977 4.321 2.421 1.00 0.00 C ATOM 0 H PHE A 89 -8.082 -1.579 2.020 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.418 -0.690 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.229 0.446 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.102 0.710 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.927 1.548 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.636 2.572 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.703 3.675 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.412 4.696 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.442 5.246 2.580 1.00 0.00 H new ATOM 157 N ARG A 90 -6.947 -0.184 4.776 1.00 0.00 N ATOM 158 CA ARG A 90 -6.726 0.138 6.179 1.00 0.00 C ATOM 159 C ARG A 90 -5.738 -0.844 6.806 1.00 0.00 C ATOM 160 O ARG A 90 -4.950 -0.479 7.678 1.00 0.00 O ATOM 161 CB ARG A 90 -8.054 0.084 6.929 1.00 0.00 C ATOM 162 CG ARG A 90 -7.903 0.743 8.297 1.00 0.00 C ATOM 163 CD ARG A 90 -9.208 0.580 9.073 1.00 0.00 C ATOM 164 NE ARG A 90 -10.318 1.114 8.290 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.685 2.390 8.383 1.00 0.00 C ATOM 166 NH1 ARG A 90 -9.852 3.335 8.044 1.00 0.00 N ATOM 167 NH2 ARG A 90 -11.878 2.696 8.814 1.00 0.00 N ATOM 0 H ARG A 90 -7.909 -0.436 4.548 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.307 1.142 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.828 0.592 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.373 -0.951 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.079 0.287 8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.663 1.800 8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.381 -0.473 9.295 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.141 1.100 10.028 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.824 0.495 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.919 3.096 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.134 4.313 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.529 1.957 9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.159 3.674 8.885 1.00 0.00 H new ATOM 181 N VAL A 91 -5.770 -2.087 6.330 1.00 0.00 N ATOM 182 CA VAL A 91 -4.853 -3.113 6.826 1.00 0.00 C ATOM 183 C VAL A 91 -3.418 -2.774 6.417 1.00 0.00 C ATOM 184 O VAL A 91 -2.486 -2.894 7.212 1.00 0.00 O ATOM 185 CB VAL A 91 -5.240 -4.490 6.258 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.150 -5.519 6.586 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.577 -4.947 6.859 1.00 0.00 C ATOM 0 H VAL A 91 -6.415 -2.407 5.608 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.919 -3.144 7.914 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.341 -4.408 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.433 -6.490 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.205 -5.202 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.037 -5.597 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.844 -5.922 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.483 -5.019 7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.354 -4.224 6.609 1.00 0.00 H new ATOM 197 N PHE A 92 -3.261 -2.364 5.161 1.00 0.00 N ATOM 198 CA PHE A 92 -1.949 -2.018 4.621 1.00 0.00 C ATOM 199 C PHE A 92 -1.338 -0.805 5.326 1.00 0.00 C ATOM 200 O PHE A 92 -0.126 -0.744 5.526 1.00 0.00 O ATOM 201 CB PHE A 92 -2.063 -1.706 3.118 1.00 0.00 C ATOM 202 CG PHE A 92 -2.227 -2.983 2.319 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.192 -3.924 2.282 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.405 -3.218 1.601 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.339 -5.096 1.531 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.554 -4.384 0.854 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.520 -5.327 0.814 1.00 0.00 C ATOM 0 H PHE A 92 -4.028 -2.263 4.497 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.299 -2.878 4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.914 -1.048 2.941 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.173 -1.173 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.280 -3.746 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.203 -2.491 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.541 -5.823 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.467 -4.561 0.305 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.633 -6.230 0.232 1.00 0.00 H new ATOM 217 N ASP A 93 -2.171 0.177 5.656 1.00 0.00 N ATOM 218 CA ASP A 93 -1.678 1.404 6.290 1.00 0.00 C ATOM 219 C ASP A 93 -1.552 1.264 7.806 1.00 0.00 C ATOM 220 O ASP A 93 -2.478 1.585 8.549 1.00 0.00 O ATOM 221 CB ASP A 93 -2.627 2.562 5.966 1.00 0.00 C ATOM 222 CG ASP A 93 -1.941 3.902 6.231 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.792 3.892 6.649 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.574 4.919 6.006 1.00 0.00 O ATOM 0 H ASP A 93 -3.179 0.153 5.499 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.682 1.601 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.938 2.505 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.529 2.482 6.572 1.00 0.00 H new ATOM 229 N LYS A 94 -0.390 0.796 8.252 1.00 0.00 N ATOM 230 CA LYS A 94 -0.146 0.633 9.671 1.00 0.00 C ATOM 231 C LYS A 94 -0.296 1.985 10.369 1.00 0.00 C ATOM 232 O LYS A 94 -0.949 2.091 11.407 1.00 0.00 O ATOM 233 CB LYS A 94 1.264 0.087 9.890 1.00 0.00 C ATOM 234 CG LYS A 94 1.464 -0.198 11.373 1.00 0.00 C ATOM 235 CD LYS A 94 2.876 -0.741 11.612 1.00 0.00 C ATOM 236 CE LYS A 94 3.063 -1.038 13.102 1.00 0.00 C ATOM 237 NZ LYS A 94 4.441 -1.558 13.338 1.00 0.00 N ATOM 0 H LYS A 94 0.389 0.526 7.652 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.867 -0.070 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.409 -0.824 9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.004 0.808 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.312 0.713 11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.724 -0.920 11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.032 -1.647 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.618 -0.015 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.899 -0.133 13.687 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.326 -1.769 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.567 -1.760 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.581 -2.431 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.137 -0.846 13.037 1.00 0.00 H new ATOM 251 N ASP A 95 0.303 3.019 9.782 1.00 0.00 N ATOM 252 CA ASP A 95 0.221 4.364 10.342 1.00 0.00 C ATOM 253 C ASP A 95 -1.238 4.827 10.370 1.00 0.00 C ATOM 254 O ASP A 95 -1.718 5.337 11.378 1.00 0.00 O ATOM 255 CB ASP A 95 1.077 5.306 9.495 1.00 0.00 C ATOM 256 CG ASP A 95 0.834 6.758 9.877 1.00 0.00 C ATOM 257 OD1 ASP A 95 0.577 7.014 11.041 1.00 0.00 O ATOM 258 OD2 ASP A 95 0.911 7.596 8.990 1.00 0.00 O ATOM 0 H ASP A 95 0.848 2.951 8.922 1.00 0.00 H new ATOM 0 HA ASP A 95 0.596 4.368 11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.131 5.063 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.847 5.161 8.439 1.00 0.00 H new ATOM 263 N GLN A 96 -1.937 4.607 9.255 1.00 0.00 N ATOM 264 CA GLN A 96 -3.358 4.962 9.160 1.00 0.00 C ATOM 265 C GLN A 96 -3.543 6.480 8.944 1.00 0.00 C ATOM 266 O GLN A 96 -4.371 7.106 9.601 1.00 0.00 O ATOM 267 CB GLN A 96 -4.085 4.521 10.469 1.00 0.00 C ATOM 268 CG GLN A 96 -5.557 4.063 10.190 1.00 0.00 C ATOM 269 CD GLN A 96 -5.754 2.536 10.322 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.422 2.094 11.250 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.265 1.705 9.439 1.00 0.00 N ATOM 0 H GLN A 96 -1.548 4.188 8.410 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.788 4.446 8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.532 3.705 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.090 5.348 11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.227 4.571 10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.844 4.374 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.707 2.057 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.441 0.704 9.528 1.00 0.00 H new ATOM 280 N ASN A 97 -2.788 7.060 8.009 1.00 0.00 N ATOM 281 CA ASN A 97 -2.906 8.502 7.714 1.00 0.00 C ATOM 282 C ASN A 97 -3.511 8.713 6.331 1.00 0.00 C ATOM 283 O ASN A 97 -3.539 9.832 5.817 1.00 0.00 O ATOM 284 CB ASN A 97 -1.525 9.152 7.779 1.00 0.00 C ATOM 285 CG ASN A 97 -0.589 8.446 6.812 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.605 8.738 6.770 1.00 0.00 O ATOM 287 ND2 ASN A 97 -1.069 7.519 6.031 1.00 0.00 N ATOM 0 H ASN A 97 -2.095 6.567 7.446 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.560 8.962 8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.597 10.210 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.130 9.093 8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.453 7.031 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.060 7.282 6.071 1.00 0.00 H new ATOM 294 N GLY A 98 -3.987 7.624 5.735 1.00 0.00 N ATOM 295 CA GLY A 98 -4.580 7.682 4.401 1.00 0.00 C ATOM 296 C GLY A 98 -3.500 7.500 3.343 1.00 0.00 C ATOM 297 O GLY A 98 -3.675 7.878 2.185 1.00 0.00 O ATOM 0 H GLY A 98 -3.974 6.693 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.338 6.905 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.083 8.639 4.259 1.00 0.00 H new ATOM 301 N PHE A 99 -2.382 6.901 3.756 1.00 0.00 N ATOM 302 CA PHE A 99 -1.264 6.648 2.848 1.00 0.00 C ATOM 303 C PHE A 99 -0.542 5.363 3.230 1.00 0.00 C ATOM 304 O PHE A 99 -0.437 5.030 4.411 1.00 0.00 O ATOM 305 CB PHE A 99 -0.261 7.797 2.920 1.00 0.00 C ATOM 306 CG PHE A 99 -0.894 9.063 2.405 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.728 9.810 3.239 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.657 9.481 1.093 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.327 10.982 2.763 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.255 10.652 0.614 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.092 11.404 1.450 1.00 0.00 C ATOM 0 H PHE A 99 -2.227 6.583 4.713 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.666 6.558 1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.070 7.938 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.624 7.556 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.911 9.483 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.013 8.901 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.971 11.561 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.072 10.976 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.555 12.308 1.081 1.00 0.00 H new ATOM 321 N ILE A 100 0.002 4.670 2.230 1.00 0.00 N ATOM 322 CA ILE A 100 0.767 3.449 2.474 1.00 0.00 C ATOM 323 C ILE A 100 2.222 3.709 2.116 1.00 0.00 C ATOM 324 O ILE A 100 2.553 3.992 0.962 1.00 0.00 O ATOM 325 CB ILE A 100 0.226 2.283 1.646 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.247 2.065 1.982 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.014 1.015 1.982 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.861 1.087 0.978 1.00 0.00 C ATOM 0 H ILE A 100 -0.073 4.932 1.247 1.00 0.00 H new ATOM 0 HA ILE A 100 0.678 3.177 3.526 1.00 0.00 H new ATOM 0 HB ILE A 100 0.330 2.509 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.346 1.673 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.782 3.015 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.631 0.182 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.068 1.169 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.906 0.790 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.913 0.931 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.775 1.497 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.333 0.135 1.028 1.00 0.00 H new ATOM 340 N SER A 101 3.075 3.630 3.125 1.00 0.00 N ATOM 341 CA SER A 101 4.502 3.868 2.947 1.00 0.00 C ATOM 342 C SER A 101 5.231 2.563 2.663 1.00 0.00 C ATOM 343 O SER A 101 4.775 1.491 3.060 1.00 0.00 O ATOM 344 CB SER A 101 5.077 4.506 4.210 1.00 0.00 C ATOM 345 OG SER A 101 6.493 4.367 4.204 1.00 0.00 O ATOM 0 H SER A 101 2.804 3.402 4.081 1.00 0.00 H new ATOM 0 HA SER A 101 4.639 4.539 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.804 5.560 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.657 4.029 5.096 1.00 0.00 H new ATOM 0 HG SER A 101 6.865 4.777 5.012 1.00 0.00 H new ATOM 351 N ALA A 102 6.376 2.656 1.998 1.00 0.00 N ATOM 352 CA ALA A 102 7.151 1.463 1.711 1.00 0.00 C ATOM 353 C ALA A 102 7.461 0.774 3.029 1.00 0.00 C ATOM 354 O ALA A 102 7.323 -0.441 3.161 1.00 0.00 O ATOM 355 CB ALA A 102 8.451 1.831 0.993 1.00 0.00 C ATOM 0 H ALA A 102 6.779 3.528 1.655 1.00 0.00 H new ATOM 0 HA ALA A 102 6.583 0.798 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.021 0.925 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.218 2.337 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.041 2.494 1.626 1.00 0.00 H new ATOM 361 N ALA A 103 7.861 1.576 4.011 1.00 0.00 N ATOM 362 CA ALA A 103 8.172 1.056 5.333 1.00 0.00 C ATOM 363 C ALA A 103 6.985 0.263 5.866 1.00 0.00 C ATOM 364 O ALA A 103 7.135 -0.871 6.318 1.00 0.00 O ATOM 365 CB ALA A 103 8.475 2.222 6.279 1.00 0.00 C ATOM 0 H ALA A 103 7.976 2.585 3.914 1.00 0.00 H new ATOM 0 HA ALA A 103 9.041 0.402 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.708 1.835 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.327 2.786 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.605 2.876 6.340 1.00 0.00 H new ATOM 371 N GLU A 104 5.802 0.869 5.800 1.00 0.00 N ATOM 372 CA GLU A 104 4.594 0.222 6.263 1.00 0.00 C ATOM 373 C GLU A 104 4.301 -0.997 5.401 1.00 0.00 C ATOM 374 O GLU A 104 3.902 -2.047 5.901 1.00 0.00 O ATOM 375 CB GLU A 104 3.446 1.218 6.165 1.00 0.00 C ATOM 376 CG GLU A 104 3.680 2.353 7.159 1.00 0.00 C ATOM 377 CD GLU A 104 2.678 3.476 6.919 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.740 3.259 6.170 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.865 4.537 7.490 1.00 0.00 O ATOM 0 H GLU A 104 5.662 1.809 5.428 1.00 0.00 H new ATOM 0 HA GLU A 104 4.715 -0.104 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.378 1.614 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.499 0.722 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.582 1.980 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.696 2.734 7.055 1.00 0.00 H new ATOM 386 N LEU A 105 4.515 -0.846 4.099 1.00 0.00 N ATOM 387 CA LEU A 105 4.282 -1.934 3.160 1.00 0.00 C ATOM 388 C LEU A 105 5.214 -3.100 3.480 1.00 0.00 C ATOM 389 O LEU A 105 4.814 -4.264 3.440 1.00 0.00 O ATOM 390 CB LEU A 105 4.537 -1.442 1.730 1.00 0.00 C ATOM 391 CG LEU A 105 4.031 -2.478 0.706 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.522 -2.306 0.476 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.764 -2.283 -0.627 1.00 0.00 C ATOM 0 H LEU A 105 4.849 0.018 3.671 1.00 0.00 H new ATOM 0 HA LEU A 105 3.249 -2.270 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.033 -0.489 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.603 -1.267 1.584 1.00 0.00 H new ATOM 0 HG LEU A 105 4.224 -3.478 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.178 -3.044 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.992 -2.448 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.324 -1.304 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.406 -3.016 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.573 -1.278 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.835 -2.416 -0.476 1.00 0.00 H new ATOM 405 N ARG A 106 6.459 -2.770 3.812 1.00 0.00 N ATOM 406 CA ARG A 106 7.448 -3.787 4.157 1.00 0.00 C ATOM 407 C ARG A 106 7.028 -4.513 5.433 1.00 0.00 C ATOM 408 O ARG A 106 7.146 -5.733 5.537 1.00 0.00 O ATOM 409 CB ARG A 106 8.826 -3.144 4.360 1.00 0.00 C ATOM 410 CG ARG A 106 9.868 -4.233 4.635 1.00 0.00 C ATOM 411 CD ARG A 106 11.250 -3.598 4.795 1.00 0.00 C ATOM 412 NE ARG A 106 12.273 -4.635 4.887 1.00 0.00 N ATOM 413 CZ ARG A 106 13.564 -4.326 4.971 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.962 -3.406 5.807 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.434 -4.944 4.220 1.00 0.00 N ATOM 0 H ARG A 106 6.806 -1.812 3.849 1.00 0.00 H new ATOM 0 HA ARG A 106 7.509 -4.504 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.106 -2.574 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.791 -2.442 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.603 -4.783 5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.881 -4.952 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.459 -2.945 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.271 -2.976 5.690 1.00 0.00 H new ATOM 0 HE ARG A 106 11.992 -5.616 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.283 -2.924 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.952 -3.169 5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.124 -5.665 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.424 -4.706 4.285 1.00 0.00 H new ATOM 429 N HIS A 107 6.540 -3.745 6.403 1.00 0.00 N ATOM 430 CA HIS A 107 6.108 -4.310 7.677 1.00 0.00 C ATOM 431 C HIS A 107 4.904 -5.228 7.481 1.00 0.00 C ATOM 432 O HIS A 107 4.819 -6.296 8.084 1.00 0.00 O ATOM 433 CB HIS A 107 5.739 -3.180 8.638 1.00 0.00 C ATOM 434 CG HIS A 107 6.967 -2.372 8.952 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.920 -1.224 9.727 1.00 0.00 N ATOM 436 CD2 HIS A 107 8.283 -2.526 8.591 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.171 -0.736 9.807 1.00 0.00 C ATOM 438 NE2 HIS A 107 9.043 -1.492 9.132 1.00 0.00 N ATOM 0 H HIS A 107 6.434 -2.733 6.331 1.00 0.00 H new ATOM 0 HA HIS A 107 6.927 -4.896 8.093 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.975 -2.543 8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.316 -3.591 9.555 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.670 -3.328 7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.439 0.158 10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.047 -1.344 9.034 1.00 0.00 H new ATOM 446 N VAL A 108 3.979 -4.806 6.629 1.00 0.00 N ATOM 447 CA VAL A 108 2.788 -5.598 6.354 1.00 0.00 C ATOM 448 C VAL A 108 3.170 -6.903 5.660 1.00 0.00 C ATOM 449 O VAL A 108 2.629 -7.965 5.969 1.00 0.00 O ATOM 450 CB VAL A 108 1.808 -4.800 5.487 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.641 -5.699 5.059 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.270 -3.611 6.296 1.00 0.00 C ATOM 0 H VAL A 108 4.030 -3.924 6.119 1.00 0.00 H new ATOM 0 HA VAL A 108 2.301 -5.836 7.299 1.00 0.00 H new ATOM 0 HB VAL A 108 2.323 -4.437 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.052 -5.126 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.024 -6.543 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.122 -6.067 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.572 -3.040 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.756 -3.978 7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.099 -2.970 6.595 1.00 0.00 H new ATOM 462 N MET A 109 4.115 -6.816 4.730 1.00 0.00 N ATOM 463 CA MET A 109 4.578 -7.992 4.003 1.00 0.00 C ATOM 464 C MET A 109 5.251 -8.975 4.963 1.00 0.00 C ATOM 465 O MET A 109 5.121 -10.189 4.812 1.00 0.00 O ATOM 466 CB MET A 109 5.570 -7.572 2.910 1.00 0.00 C ATOM 467 CG MET A 109 4.814 -6.957 1.729 1.00 0.00 C ATOM 468 SD MET A 109 3.870 -8.243 0.872 1.00 0.00 S ATOM 469 CE MET A 109 3.213 -7.198 -0.452 1.00 0.00 C ATOM 0 H MET A 109 4.574 -5.945 4.462 1.00 0.00 H new ATOM 0 HA MET A 109 3.720 -8.481 3.541 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.283 -6.852 3.311 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.144 -8.436 2.576 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.143 -6.174 2.082 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.516 -6.488 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.588 -7.798 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.616 -6.395 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.038 -6.771 -1.022 1.00 0.00 H new ATOM 479 N THR A 110 5.960 -8.441 5.956 1.00 0.00 N ATOM 480 CA THR A 110 6.627 -9.280 6.933 1.00 0.00 C ATOM 481 C THR A 110 5.602 -9.922 7.867 1.00 0.00 C ATOM 482 O THR A 110 5.691 -11.107 8.185 1.00 0.00 O ATOM 483 CB THR A 110 7.610 -8.430 7.734 1.00 0.00 C ATOM 484 OG1 THR A 110 6.946 -7.277 8.227 1.00 0.00 O ATOM 485 CG2 THR A 110 8.770 -8.005 6.833 1.00 0.00 C ATOM 0 H THR A 110 6.083 -7.439 6.100 1.00 0.00 H new ATOM 0 HA THR A 110 7.168 -10.075 6.419 1.00 0.00 H new ATOM 0 HB THR A 110 7.996 -9.013 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.005 -7.299 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.472 -7.398 7.405 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.281 -8.891 6.455 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.386 -7.423 5.995 1.00 0.00 H new ATOM 493 N ASN A 111 4.614 -9.130 8.278 1.00 0.00 N ATOM 494 CA ASN A 111 3.549 -9.624 9.148 1.00 0.00 C ATOM 495 C ASN A 111 2.778 -10.709 8.412 1.00 0.00 C ATOM 496 O ASN A 111 2.386 -11.729 8.980 1.00 0.00 O ATOM 497 CB ASN A 111 2.596 -8.475 9.493 1.00 0.00 C ATOM 498 CG ASN A 111 3.196 -7.585 10.573 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.125 -6.359 10.477 1.00 0.00 O ATOM 500 ND2 ASN A 111 3.778 -8.127 11.606 1.00 0.00 N ATOM 0 H ASN A 111 4.529 -8.146 8.023 1.00 0.00 H new ATOM 0 HA ASN A 111 3.979 -10.026 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.392 -7.884 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.642 -8.877 9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.175 -7.536 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.836 -9.142 11.684 1.00 0.00 H new ATOM 507 N LEU A 112 2.573 -10.446 7.135 1.00 0.00 N ATOM 508 CA LEU A 112 1.855 -11.341 6.243 1.00 0.00 C ATOM 509 C LEU A 112 2.547 -12.698 6.152 1.00 0.00 C ATOM 510 O LEU A 112 1.913 -13.711 5.852 1.00 0.00 O ATOM 511 CB LEU A 112 1.809 -10.672 4.866 1.00 0.00 C ATOM 512 CG LEU A 112 1.087 -11.547 3.842 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.345 -11.845 4.310 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.048 -10.795 2.507 1.00 0.00 C ATOM 0 H LEU A 112 2.904 -9.595 6.681 1.00 0.00 H new ATOM 0 HA LEU A 112 0.849 -11.520 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.303 -9.710 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.824 -10.472 4.524 1.00 0.00 H new ATOM 0 HG LEU A 112 1.616 -12.493 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.847 -12.469 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.314 -12.368 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.892 -10.909 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.536 -11.403 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.514 -9.853 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.066 -10.593 2.173 1.00 0.00 H new ATOM 526 N GLY A 113 3.858 -12.709 6.378 1.00 0.00 N ATOM 527 CA GLY A 113 4.641 -13.941 6.283 1.00 0.00 C ATOM 528 C GLY A 113 5.329 -13.967 4.932 1.00 0.00 C ATOM 529 O GLY A 113 5.861 -14.987 4.493 1.00 0.00 O ATOM 0 H GLY A 113 4.401 -11.882 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.378 -13.985 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.994 -14.811 6.396 1.00 0.00 H new ATOM 533 N GLU A 114 5.327 -12.797 4.299 1.00 0.00 N ATOM 534 CA GLU A 114 5.958 -12.595 3.004 1.00 0.00 C ATOM 535 C GLU A 114 7.233 -11.793 3.206 1.00 0.00 C ATOM 536 O GLU A 114 7.239 -10.817 3.955 1.00 0.00 O ATOM 537 CB GLU A 114 5.003 -11.828 2.095 1.00 0.00 C ATOM 538 CG GLU A 114 3.874 -12.761 1.665 1.00 0.00 C ATOM 539 CD GLU A 114 4.392 -13.774 0.650 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.409 -13.501 0.034 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.765 -14.811 0.505 1.00 0.00 O ATOM 0 H GLU A 114 4.884 -11.959 4.675 1.00 0.00 H new ATOM 0 HA GLU A 114 6.196 -13.554 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.598 -10.962 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.535 -11.452 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.469 -13.279 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.059 -12.183 1.230 1.00 0.00 H new ATOM 548 N LYS A 115 8.316 -12.210 2.556 1.00 0.00 N ATOM 549 CA LYS A 115 9.600 -11.518 2.696 1.00 0.00 C ATOM 550 C LYS A 115 10.109 -11.021 1.348 1.00 0.00 C ATOM 551 O LYS A 115 10.680 -11.775 0.563 1.00 0.00 O ATOM 552 CB LYS A 115 10.625 -12.460 3.339 1.00 0.00 C ATOM 553 CG LYS A 115 10.509 -13.860 2.729 1.00 0.00 C ATOM 554 CD LYS A 115 11.548 -14.776 3.376 1.00 0.00 C ATOM 555 CE LYS A 115 11.459 -16.170 2.754 1.00 0.00 C ATOM 556 NZ LYS A 115 12.207 -17.139 3.603 1.00 0.00 N ATOM 0 H LYS A 115 8.334 -13.016 1.932 1.00 0.00 H new ATOM 0 HA LYS A 115 9.456 -10.648 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.632 -12.072 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.460 -12.509 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.507 -14.257 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.667 -13.815 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.548 -14.366 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.377 -14.835 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.416 -16.475 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.873 -16.158 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.148 -18.088 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.204 -16.849 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.792 -17.157 4.557 1.00 0.00 H new ATOM 570 N LEU A 116 9.896 -9.732 1.095 1.00 0.00 N ATOM 571 CA LEU A 116 10.333 -9.106 -0.151 1.00 0.00 C ATOM 572 C LEU A 116 11.577 -8.265 0.101 1.00 0.00 C ATOM 573 O LEU A 116 11.803 -7.791 1.216 1.00 0.00 O ATOM 574 CB LEU A 116 9.233 -8.192 -0.700 1.00 0.00 C ATOM 575 CG LEU A 116 8.131 -9.017 -1.371 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.548 -10.033 -0.377 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.033 -8.059 -1.842 1.00 0.00 C ATOM 0 H LEU A 116 9.422 -9.098 1.739 1.00 0.00 H new ATOM 0 HA LEU A 116 10.552 -9.894 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.808 -7.598 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.659 -7.492 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 116 8.542 -9.565 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.766 -10.613 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.337 -10.703 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.127 -9.505 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.237 -8.627 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.628 -7.521 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.452 -7.347 -2.553 1.00 0.00 H new ATOM 589 N THR A 117 12.369 -8.066 -0.942 1.00 0.00 N ATOM 590 CA THR A 117 13.577 -7.261 -0.834 1.00 0.00 C ATOM 591 C THR A 117 13.232 -5.792 -1.005 1.00 0.00 C ATOM 592 O THR A 117 12.090 -5.444 -1.306 1.00 0.00 O ATOM 593 CB THR A 117 14.582 -7.677 -1.903 1.00 0.00 C ATOM 594 OG1 THR A 117 15.536 -6.640 -2.086 1.00 0.00 O ATOM 595 CG2 THR A 117 13.858 -7.943 -3.218 1.00 0.00 C ATOM 0 H THR A 117 12.198 -8.450 -1.871 1.00 0.00 H new ATOM 0 HA THR A 117 14.018 -7.418 0.150 1.00 0.00 H new ATOM 0 HB THR A 117 15.090 -8.587 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.183 -6.908 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.581 -8.240 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.130 -8.742 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.344 -7.037 -3.540 1.00 0.00 H new ATOM 603 N ASP A 118 14.222 -4.933 -0.821 1.00 0.00 N ATOM 604 CA ASP A 118 14.005 -3.511 -0.970 1.00 0.00 C ATOM 605 C ASP A 118 13.606 -3.194 -2.405 1.00 0.00 C ATOM 606 O ASP A 118 12.734 -2.360 -2.652 1.00 0.00 O ATOM 607 CB ASP A 118 15.293 -2.776 -0.612 1.00 0.00 C ATOM 608 CG ASP A 118 16.449 -3.307 -1.454 1.00 0.00 C ATOM 609 OD1 ASP A 118 16.272 -4.333 -2.089 1.00 0.00 O ATOM 610 OD2 ASP A 118 17.495 -2.679 -1.449 1.00 0.00 O ATOM 0 H ASP A 118 15.175 -5.197 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 118 13.202 -3.189 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.170 -1.706 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.514 -2.907 0.447 1.00 0.00 H new ATOM 615 N GLU A 119 14.267 -3.857 -3.346 1.00 0.00 N ATOM 616 CA GLU A 119 14.007 -3.644 -4.767 1.00 0.00 C ATOM 617 C GLU A 119 12.585 -4.035 -5.157 1.00 0.00 C ATOM 618 O GLU A 119 11.915 -3.297 -5.882 1.00 0.00 O ATOM 619 CB GLU A 119 15.006 -4.465 -5.573 1.00 0.00 C ATOM 620 CG GLU A 119 16.402 -3.858 -5.410 1.00 0.00 C ATOM 621 CD GLU A 119 17.432 -4.709 -6.140 1.00 0.00 C ATOM 622 OE1 GLU A 119 17.040 -5.701 -6.732 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.599 -4.356 -6.097 1.00 0.00 O ATOM 0 H GLU A 119 14.990 -4.550 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 119 14.118 -2.581 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.004 -5.500 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.721 -4.476 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.413 -2.842 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.657 -3.792 -4.352 1.00 0.00 H new ATOM 630 N GLU A 120 12.104 -5.172 -4.662 1.00 0.00 N ATOM 631 CA GLU A 120 10.743 -5.588 -4.973 1.00 0.00 C ATOM 632 C GLU A 120 9.791 -4.602 -4.335 1.00 0.00 C ATOM 633 O GLU A 120 8.831 -4.144 -4.954 1.00 0.00 O ATOM 634 CB GLU A 120 10.462 -6.992 -4.439 1.00 0.00 C ATOM 635 CG GLU A 120 11.176 -8.017 -5.317 1.00 0.00 C ATOM 636 CD GLU A 120 10.478 -8.120 -6.669 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.314 -7.761 -6.743 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.116 -8.563 -7.610 1.00 0.00 O ATOM 0 H GLU A 120 12.624 -5.808 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 120 10.610 -5.609 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.805 -7.077 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.389 -7.184 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.217 -7.726 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.180 -8.990 -4.825 1.00 0.00 H new ATOM 645 N VAL A 121 10.082 -4.274 -3.083 1.00 0.00 N ATOM 646 CA VAL A 121 9.262 -3.328 -2.343 1.00 0.00 C ATOM 647 C VAL A 121 9.251 -1.971 -3.050 1.00 0.00 C ATOM 648 O VAL A 121 8.193 -1.382 -3.262 1.00 0.00 O ATOM 649 CB VAL A 121 9.840 -3.182 -0.929 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.214 -1.983 -0.212 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.553 -4.454 -0.130 1.00 0.00 C ATOM 0 H VAL A 121 10.876 -4.647 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 121 8.236 -3.692 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 121 10.916 -3.023 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.637 -1.896 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.423 -1.073 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.136 -2.125 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.963 -4.353 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.476 -4.610 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.015 -5.307 -0.626 1.00 0.00 H new ATOM 661 N ASP A 122 10.433 -1.485 -3.413 1.00 0.00 N ATOM 662 CA ASP A 122 10.547 -0.203 -4.097 1.00 0.00 C ATOM 663 C ASP A 122 9.910 -0.274 -5.486 1.00 0.00 C ATOM 664 O ASP A 122 9.114 0.590 -5.857 1.00 0.00 O ATOM 665 CB ASP A 122 12.030 0.183 -4.218 1.00 0.00 C ATOM 666 CG ASP A 122 12.516 0.840 -2.927 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.936 1.841 -2.541 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.457 0.329 -2.344 1.00 0.00 O ATOM 0 H ASP A 122 11.322 -1.957 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 122 10.020 0.554 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.627 -0.704 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.167 0.867 -5.056 1.00 0.00 H new ATOM 673 N GLU A 123 10.279 -1.295 -6.258 1.00 0.00 N ATOM 674 CA GLU A 123 9.753 -1.450 -7.612 1.00 0.00 C ATOM 675 C GLU A 123 8.231 -1.477 -7.595 1.00 0.00 C ATOM 676 O GLU A 123 7.582 -0.812 -8.398 1.00 0.00 O ATOM 677 CB GLU A 123 10.284 -2.747 -8.230 1.00 0.00 C ATOM 678 CG GLU A 123 9.812 -2.860 -9.684 1.00 0.00 C ATOM 679 CD GLU A 123 10.390 -4.120 -10.320 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.908 -4.946 -9.588 1.00 0.00 O ATOM 681 OE2 GLU A 123 10.308 -4.237 -11.532 1.00 0.00 O ATOM 0 H GLU A 123 10.935 -2.022 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 123 10.081 -0.600 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.373 -2.761 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.933 -3.605 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.723 -2.890 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.126 -1.981 -10.247 1.00 0.00 H new ATOM 688 N MET A 124 7.665 -2.232 -6.666 1.00 0.00 N ATOM 689 CA MET A 124 6.218 -2.317 -6.545 1.00 0.00 C ATOM 690 C MET A 124 5.639 -0.953 -6.196 1.00 0.00 C ATOM 691 O MET A 124 4.613 -0.533 -6.733 1.00 0.00 O ATOM 692 CB MET A 124 5.871 -3.328 -5.450 1.00 0.00 C ATOM 693 CG MET A 124 4.373 -3.288 -5.151 1.00 0.00 C ATOM 694 SD MET A 124 3.900 -4.800 -4.273 1.00 0.00 S ATOM 695 CE MET A 124 2.214 -4.306 -3.843 1.00 0.00 C ATOM 0 H MET A 124 8.182 -2.792 -5.988 1.00 0.00 H new ATOM 0 HA MET A 124 5.791 -2.641 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.160 -4.331 -5.766 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.436 -3.104 -4.545 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.134 -2.413 -4.547 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.807 -3.200 -6.078 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.730 -5.109 -3.286 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.244 -3.406 -3.229 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.650 -4.105 -4.754 1.00 0.00 H new ATOM 705 N ILE A 125 6.321 -0.273 -5.293 1.00 0.00 N ATOM 706 CA ILE A 125 5.912 1.052 -4.844 1.00 0.00 C ATOM 707 C ILE A 125 6.060 2.084 -5.971 1.00 0.00 C ATOM 708 O ILE A 125 5.162 2.897 -6.193 1.00 0.00 O ATOM 709 CB ILE A 125 6.760 1.433 -3.615 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.217 0.716 -2.357 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.773 2.948 -3.389 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.778 1.156 -2.020 1.00 0.00 C ATOM 0 H ILE A 125 7.172 -0.619 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 125 4.858 1.040 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 125 7.785 1.114 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.239 -0.362 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.869 0.927 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.380 3.180 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.193 3.443 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.754 3.300 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.435 0.628 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.760 2.230 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.120 0.921 -2.857 1.00 0.00 H new ATOM 724 N ARG A 126 7.184 2.047 -6.682 1.00 0.00 N ATOM 725 CA ARG A 126 7.412 2.988 -7.781 1.00 0.00 C ATOM 726 C ARG A 126 6.407 2.746 -8.904 1.00 0.00 C ATOM 727 O ARG A 126 5.939 3.685 -9.548 1.00 0.00 O ATOM 728 CB ARG A 126 8.835 2.842 -8.324 1.00 0.00 C ATOM 729 CG ARG A 126 9.833 3.380 -7.299 1.00 0.00 C ATOM 730 CD ARG A 126 11.253 3.211 -7.839 1.00 0.00 C ATOM 731 NE ARG A 126 11.586 1.796 -7.934 1.00 0.00 N ATOM 732 CZ ARG A 126 12.736 1.396 -8.465 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.865 1.849 -7.993 1.00 0.00 N ATOM 734 NH2 ARG A 126 12.735 0.549 -9.457 1.00 0.00 N ATOM 0 H ARG A 126 7.944 1.386 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 126 7.281 4.000 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.048 1.795 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.934 3.386 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.632 4.432 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.725 2.847 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.336 3.679 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.962 3.717 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 126 10.925 1.101 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.864 2.510 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.748 1.542 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.852 0.195 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.617 0.241 -9.866 1.00 0.00 H new ATOM 748 N GLU A 127 6.072 1.479 -9.117 1.00 0.00 N ATOM 749 CA GLU A 127 5.110 1.108 -10.146 1.00 0.00 C ATOM 750 C GLU A 127 3.704 1.558 -9.753 1.00 0.00 C ATOM 751 O GLU A 127 2.939 2.037 -10.592 1.00 0.00 O ATOM 752 CB GLU A 127 5.133 -0.409 -10.353 1.00 0.00 C ATOM 753 CG GLU A 127 6.392 -0.808 -11.130 1.00 0.00 C ATOM 754 CD GLU A 127 6.525 -2.327 -11.163 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.668 -2.988 -10.600 1.00 0.00 O ATOM 756 OE2 GLU A 127 7.480 -2.806 -11.749 1.00 0.00 O ATOM 0 H GLU A 127 6.452 0.692 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 127 5.385 1.604 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.113 -0.917 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.243 -0.724 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.341 -0.417 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.273 -0.368 -10.663 1.00 0.00 H new ATOM 763 N ALA A 128 3.371 1.407 -8.471 1.00 0.00 N ATOM 764 CA ALA A 128 2.052 1.809 -7.979 1.00 0.00 C ATOM 765 C ALA A 128 2.038 3.302 -7.661 1.00 0.00 C ATOM 766 O ALA A 128 0.976 3.923 -7.614 1.00 0.00 O ATOM 767 CB ALA A 128 1.663 0.999 -6.741 1.00 0.00 C ATOM 0 H ALA A 128 3.988 1.014 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 128 1.320 1.609 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.679 1.315 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.635 -0.061 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.397 1.165 -5.952 1.00 0.00 H new ATOM 773 N ASP A 129 3.227 3.884 -7.509 1.00 0.00 N ATOM 774 CA ASP A 129 3.359 5.319 -7.274 1.00 0.00 C ATOM 775 C ASP A 129 3.636 5.961 -8.633 1.00 0.00 C ATOM 776 O ASP A 129 4.612 5.610 -9.284 1.00 0.00 O ATOM 777 CB ASP A 129 4.545 5.605 -6.346 1.00 0.00 C ATOM 778 CG ASP A 129 4.623 7.097 -6.050 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.822 7.833 -6.601 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.489 7.485 -5.281 1.00 0.00 O ATOM 0 H ASP A 129 4.114 3.381 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 129 2.455 5.712 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.434 5.046 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.472 5.269 -6.811 1.00 0.00 H new ATOM 785 N VAL A 130 2.803 6.892 -9.067 1.00 0.00 N ATOM 786 CA VAL A 130 2.996 7.588 -10.357 1.00 0.00 C ATOM 787 C VAL A 130 2.997 9.121 -10.027 1.00 0.00 C ATOM 788 O VAL A 130 3.434 9.929 -10.829 1.00 0.00 O ATOM 789 CB VAL A 130 1.921 7.150 -11.385 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.722 6.600 -10.569 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.606 8.345 -12.332 1.00 0.00 C ATOM 0 H VAL A 130 1.977 7.195 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 130 3.940 7.331 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 130 2.245 6.351 -12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.065 6.277 -11.251 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.050 5.753 -9.966 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.337 7.383 -9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.851 8.045 -13.058 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.233 9.185 -11.746 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.514 8.643 -12.856 1.00 0.00 H new ATOM 801 N ASP A 131 2.583 9.496 -8.762 1.00 0.00 N ATOM 802 CA ASP A 131 2.672 10.926 -8.303 1.00 0.00 C ATOM 803 C ASP A 131 4.081 11.078 -7.750 1.00 0.00 C ATOM 804 O ASP A 131 4.533 12.168 -7.396 1.00 0.00 O ATOM 805 CB ASP A 131 1.683 11.319 -7.168 1.00 0.00 C ATOM 806 CG ASP A 131 0.234 11.156 -7.601 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.123 11.706 -8.627 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.505 10.501 -6.882 1.00 0.00 O ATOM 0 H ASP A 131 2.200 8.851 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 131 2.424 11.568 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.872 10.701 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.860 12.353 -6.873 1.00 0.00 H new ATOM 813 N GLY A 132 4.755 9.925 -7.692 1.00 0.00 N ATOM 814 CA GLY A 132 6.128 9.821 -7.206 1.00 0.00 C ATOM 815 C GLY A 132 6.279 10.271 -5.756 1.00 0.00 C ATOM 816 O GLY A 132 7.347 10.117 -5.158 1.00 0.00 O ATOM 0 H GLY A 132 4.357 9.033 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.463 8.788 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.779 10.425 -7.838 1.00 0.00 H new ATOM 820 N ASP A 133 5.220 10.839 -5.205 1.00 0.00 N ATOM 821 CA ASP A 133 5.248 11.323 -3.831 1.00 0.00 C ATOM 822 C ASP A 133 5.967 10.336 -2.911 1.00 0.00 C ATOM 823 O ASP A 133 6.406 10.698 -1.820 1.00 0.00 O ATOM 824 CB ASP A 133 3.818 11.553 -3.341 1.00 0.00 C ATOM 825 CG ASP A 133 3.009 10.266 -3.466 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.534 9.308 -4.010 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.873 10.258 -3.020 1.00 0.00 O ATOM 0 H ASP A 133 4.331 10.977 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 133 5.798 12.264 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.830 11.885 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.348 12.345 -3.924 1.00 0.00 H new ATOM 832 N GLY A 134 6.087 9.087 -3.358 1.00 0.00 N ATOM 833 CA GLY A 134 6.755 8.056 -2.564 1.00 0.00 C ATOM 834 C GLY A 134 5.766 7.359 -1.642 1.00 0.00 C ATOM 835 O GLY A 134 6.127 6.467 -0.877 1.00 0.00 O ATOM 0 H GLY A 134 5.733 8.765 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.219 7.325 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.554 8.505 -1.974 1.00 0.00 H new ATOM 839 N GLN A 135 4.505 7.772 -1.736 1.00 0.00 N ATOM 840 CA GLN A 135 3.436 7.190 -0.926 1.00 0.00 C ATOM 841 C GLN A 135 2.265 6.825 -1.814 1.00 0.00 C ATOM 842 O GLN A 135 2.006 7.489 -2.818 1.00 0.00 O ATOM 843 CB GLN A 135 2.959 8.188 0.130 1.00 0.00 C ATOM 844 CG GLN A 135 3.984 8.287 1.252 1.00 0.00 C ATOM 845 CD GLN A 135 3.621 9.427 2.195 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.562 10.585 1.779 1.00 0.00 O ATOM 847 NE2 GLN A 135 3.376 9.168 3.451 1.00 0.00 N ATOM 0 H GLN A 135 4.196 8.511 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 135 3.825 6.300 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.809 9.167 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.996 7.872 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.023 7.347 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.977 8.453 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.426 8.208 3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.135 9.925 4.090 1.00 0.00 H new ATOM 856 N ILE A 136 1.546 5.777 -1.436 1.00 0.00 N ATOM 857 CA ILE A 136 0.388 5.349 -2.210 1.00 0.00 C ATOM 858 C ILE A 136 -0.868 5.839 -1.512 1.00 0.00 C ATOM 859 O ILE A 136 -1.158 5.446 -0.383 1.00 0.00 O ATOM 860 CB ILE A 136 0.382 3.808 -2.340 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.271 3.377 -3.514 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.041 3.283 -2.582 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.665 3.986 -3.362 1.00 0.00 C ATOM 0 H ILE A 136 1.740 5.213 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 136 0.428 5.770 -3.215 1.00 0.00 H new ATOM 0 HB ILE A 136 0.764 3.392 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.341 2.290 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.825 3.697 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.018 2.197 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.680 3.566 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.436 3.713 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.291 3.676 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.588 5.073 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 136 3.112 3.644 -2.429 1.00 0.00 H new ATOM 875 N ASN A 137 -1.631 6.671 -2.207 1.00 0.00 N ATOM 876 CA ASN A 137 -2.875 7.175 -1.662 1.00 0.00 C ATOM 877 C ASN A 137 -3.954 6.145 -1.954 1.00 0.00 C ATOM 878 O ASN A 137 -3.774 5.292 -2.822 1.00 0.00 O ATOM 879 CB ASN A 137 -3.224 8.536 -2.292 1.00 0.00 C ATOM 880 CG ASN A 137 -2.780 8.587 -3.755 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.711 8.089 -4.105 1.00 0.00 O ATOM 882 ND2 ASN A 137 -3.540 9.177 -4.634 1.00 0.00 N ATOM 0 H ASN A 137 -1.409 7.007 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.789 7.331 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.299 8.707 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.740 9.336 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.248 9.225 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.427 9.591 -4.346 1.00 0.00 H new ATOM 889 N TYR A 138 -5.052 6.189 -1.223 1.00 0.00 N ATOM 890 CA TYR A 138 -6.099 5.203 -1.435 1.00 0.00 C ATOM 891 C TYR A 138 -6.493 5.135 -2.907 1.00 0.00 C ATOM 892 O TYR A 138 -6.499 4.059 -3.499 1.00 0.00 O ATOM 893 CB TYR A 138 -7.326 5.547 -0.588 1.00 0.00 C ATOM 894 CG TYR A 138 -8.434 4.588 -0.945 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.290 3.234 -0.648 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.581 5.044 -1.602 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.293 2.330 -0.995 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.587 4.140 -1.956 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.443 2.782 -1.654 1.00 0.00 C ATOM 900 OH TYR A 138 -11.433 1.887 -2.005 1.00 0.00 O ATOM 0 H TYR A 138 -5.242 6.877 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.713 4.229 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.087 5.473 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.639 6.574 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.399 2.884 -0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.690 6.093 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.183 1.283 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.475 4.490 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.309 2.258 -1.768 1.00 0.00 H new ATOM 910 N GLU A 139 -6.813 6.278 -3.499 1.00 0.00 N ATOM 911 CA GLU A 139 -7.210 6.299 -4.902 1.00 0.00 C ATOM 912 C GLU A 139 -6.177 5.584 -5.765 1.00 0.00 C ATOM 913 O GLU A 139 -6.529 4.812 -6.657 1.00 0.00 O ATOM 914 CB GLU A 139 -7.385 7.746 -5.368 1.00 0.00 C ATOM 915 CG GLU A 139 -6.082 8.515 -5.157 1.00 0.00 C ATOM 916 CD GLU A 139 -6.301 9.998 -5.433 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.371 10.340 -5.907 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.395 10.770 -5.163 1.00 0.00 O ATOM 0 H GLU A 139 -6.806 7.189 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.160 5.774 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.665 7.768 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.194 8.222 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.729 8.375 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.308 8.124 -5.818 1.00 0.00 H new ATOM 925 N GLU A 140 -4.903 5.837 -5.503 1.00 0.00 N ATOM 926 CA GLU A 140 -3.844 5.201 -6.270 1.00 0.00 C ATOM 927 C GLU A 140 -3.856 3.698 -6.018 1.00 0.00 C ATOM 928 O GLU A 140 -3.674 2.904 -6.940 1.00 0.00 O ATOM 929 CB GLU A 140 -2.499 5.797 -5.869 1.00 0.00 C ATOM 930 CG GLU A 140 -1.403 5.288 -6.802 1.00 0.00 C ATOM 931 CD GLU A 140 -0.113 6.050 -6.531 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.516 5.768 -5.526 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.227 6.907 -7.329 1.00 0.00 O ATOM 0 H GLU A 140 -4.580 6.472 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.006 5.377 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.547 6.885 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.265 5.528 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.247 4.220 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.705 5.420 -7.841 1.00 0.00 H new ATOM 940 N PHE A 141 -4.100 3.316 -4.766 1.00 0.00 N ATOM 941 CA PHE A 141 -4.168 1.903 -4.414 1.00 0.00 C ATOM 942 C PHE A 141 -5.317 1.267 -5.184 1.00 0.00 C ATOM 943 O PHE A 141 -5.209 0.151 -5.684 1.00 0.00 O ATOM 944 CB PHE A 141 -4.380 1.718 -2.905 1.00 0.00 C ATOM 945 CG PHE A 141 -4.181 0.259 -2.528 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.922 -0.337 -2.691 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.244 -0.501 -2.005 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.726 -1.675 -2.339 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.042 -1.837 -1.652 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.783 -2.424 -1.823 1.00 0.00 C ATOM 0 H PHE A 141 -4.252 3.958 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.225 1.423 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.680 2.344 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.384 2.040 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.101 0.240 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.217 -0.050 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.755 -2.130 -2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.858 -2.417 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.630 -3.459 -1.555 1.00 0.00 H new ATOM 960 N VAL A 142 -6.418 2.007 -5.273 1.00 0.00 N ATOM 961 CA VAL A 142 -7.600 1.543 -5.987 1.00 0.00 C ATOM 962 C VAL A 142 -7.279 1.355 -7.474 1.00 0.00 C ATOM 963 O VAL A 142 -7.716 0.384 -8.090 1.00 0.00 O ATOM 964 CB VAL A 142 -8.748 2.556 -5.813 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.913 2.199 -6.741 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.242 2.543 -4.357 1.00 0.00 C ATOM 0 H VAL A 142 -6.515 2.933 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.910 0.583 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.376 3.549 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.718 2.922 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.573 2.220 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.278 1.201 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.053 3.262 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.602 1.546 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.422 2.813 -3.692 1.00 0.00 H new ATOM 976 N LYS A 143 -6.528 2.294 -8.045 1.00 0.00 N ATOM 977 CA LYS A 143 -6.167 2.227 -9.464 1.00 0.00 C ATOM 978 C LYS A 143 -5.366 0.961 -9.791 1.00 0.00 C ATOM 979 O LYS A 143 -5.673 0.258 -10.756 1.00 0.00 O ATOM 980 CB LYS A 143 -5.331 3.463 -9.824 1.00 0.00 C ATOM 981 CG LYS A 143 -5.339 3.694 -11.338 1.00 0.00 C ATOM 982 CD LYS A 143 -4.589 4.994 -11.647 1.00 0.00 C ATOM 983 CE LYS A 143 -4.559 5.226 -13.159 1.00 0.00 C ATOM 984 NZ LYS A 143 -5.943 5.470 -13.651 1.00 0.00 N ATOM 0 H LYS A 143 -6.158 3.107 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.087 2.199 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.730 4.340 -9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.307 3.330 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.866 2.856 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.364 3.754 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -5.076 5.833 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.572 4.940 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.922 6.079 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.130 4.359 -13.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -5.905 5.889 -14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.461 4.569 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -6.431 6.122 -13.005 1.00 0.00 H new ATOM 998 N VAL A 144 -4.340 0.676 -8.991 1.00 0.00 N ATOM 999 CA VAL A 144 -3.511 -0.509 -9.217 1.00 0.00 C ATOM 1000 C VAL A 144 -4.248 -1.789 -8.827 1.00 0.00 C ATOM 1001 O VAL A 144 -4.168 -2.801 -9.525 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.213 -0.394 -8.411 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.543 -0.195 -6.935 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.388 -1.671 -8.573 1.00 0.00 C ATOM 0 H VAL A 144 -4.064 1.242 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.282 -0.562 -10.281 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.641 0.458 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.619 -0.113 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.127 0.717 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.119 -1.046 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.466 -1.584 -7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.962 -2.524 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.146 -1.817 -9.626 1.00 0.00 H new ATOM 1014 N MET A 145 -4.961 -1.738 -7.707 1.00 0.00 N ATOM 1015 CA MET A 145 -5.703 -2.901 -7.228 1.00 0.00 C ATOM 1016 C MET A 145 -6.837 -3.255 -8.184 1.00 0.00 C ATOM 1017 O MET A 145 -7.051 -4.425 -8.500 1.00 0.00 O ATOM 1018 CB MET A 145 -6.260 -2.610 -5.823 1.00 0.00 C ATOM 1019 CG MET A 145 -5.133 -2.699 -4.761 1.00 0.00 C ATOM 1020 SD MET A 145 -5.507 -4.024 -3.575 1.00 0.00 S ATOM 1021 CE MET A 145 -4.455 -5.304 -4.301 1.00 0.00 C ATOM 0 H MET A 145 -5.041 -0.910 -7.117 1.00 0.00 H new ATOM 0 HA MET A 145 -5.026 -3.754 -7.180 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.709 -1.617 -5.802 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.050 -3.322 -5.584 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.177 -2.893 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.037 -1.747 -4.238 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.538 -6.219 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.774 -5.499 -5.325 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.419 -4.966 -4.302 1.00 0.00 H new ATOM 1031 N MET A 146 -7.558 -2.240 -8.645 1.00 0.00 N ATOM 1032 CA MET A 146 -8.664 -2.465 -9.568 1.00 0.00 C ATOM 1033 C MET A 146 -8.143 -2.958 -10.916 1.00 0.00 C ATOM 1034 O MET A 146 -8.739 -3.838 -11.536 1.00 0.00 O ATOM 1035 CB MET A 146 -9.456 -1.170 -9.758 1.00 0.00 C ATOM 1036 CG MET A 146 -10.656 -1.430 -10.674 1.00 0.00 C ATOM 1037 SD MET A 146 -11.629 0.088 -10.840 1.00 0.00 S ATOM 1038 CE MET A 146 -10.726 0.782 -12.245 1.00 0.00 C ATOM 0 H MET A 146 -7.400 -1.263 -8.398 1.00 0.00 H new ATOM 0 HA MET A 146 -9.319 -3.228 -9.147 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.797 -0.796 -8.793 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.816 -0.401 -10.190 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.314 -1.764 -11.653 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.275 -2.228 -10.263 1.00 0.00 H new ATOM 0 HE1 MET A 146 -11.165 1.740 -12.522 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.681 0.928 -11.970 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.786 0.097 -13.091 1.00 0.00 H new ATOM 1048 N ALA A 147 -7.034 -2.376 -11.367 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.453 -2.763 -12.650 1.00 0.00 C ATOM 1050 C ALA A 147 -6.384 -4.282 -12.771 1.00 0.00 C ATOM 1051 O ALA A 147 -7.083 -4.880 -13.588 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.047 -2.176 -12.784 1.00 0.00 C ATOM 0 H ALA A 147 -6.525 -1.644 -10.871 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.088 -2.374 -13.447 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.620 -2.469 -13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.100 -1.089 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.418 -2.551 -11.977 1.00 0.00 H new ATOM 1058 N LYS A 148 -5.539 -4.900 -11.951 1.00 0.00 N ATOM 1059 CA LYS A 148 -5.384 -6.354 -11.968 1.00 0.00 C ATOM 1060 C LYS A 148 -6.319 -7.005 -10.953 1.00 0.00 C ATOM 1061 O LYS A 148 -7.470 -7.220 -11.292 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.937 -6.730 -11.642 1.00 0.00 C ATOM 1063 CG LYS A 148 -3.027 -6.316 -12.803 1.00 0.00 C ATOM 1064 CD LYS A 148 -1.560 -6.591 -12.444 1.00 0.00 C ATOM 1065 CE LYS A 148 -1.252 -8.090 -12.561 1.00 0.00 C ATOM 1066 NZ LYS A 148 0.222 -8.299 -12.496 1.00 0.00 N ATOM 1067 OXT LYS A 148 -5.869 -7.276 -9.852 1.00 0.00 O ATOM 0 H LYS A 148 -4.952 -4.420 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.638 -6.715 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -3.620 -6.236 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -3.859 -7.803 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.299 -6.867 -13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -3.164 -5.257 -13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.905 -6.026 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -1.357 -6.250 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -1.744 -8.637 -11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -1.645 -8.481 -13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 0.432 -9.314 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 0.680 -7.789 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.584 -7.940 -11.589 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.226 6.226 6.220 1.00 0.00 CA HETATM 1083 CA CA A 234 1.176 8.507 -5.318 1.00 0.00 CA