USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 500 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 153:sc= -0.105 (180deg=-2.26) USER MOD Single : A 81 SER OG : rot -26:sc= 0.399 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0197 (180deg=-0.323) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.00063) USER MOD Single : A 97 ASN : amide:sc= -0.774 K(o=-0.77,f=-12!) USER MOD Single : A 101 SER OG : rot 77:sc= 0.328 USER MOD Single : A 107 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.66) USER MOD Single : A 110 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 137 ASN : amide:sc= -0.0911 K(o=-0.091,f=-6.2!) USER MOD Single : A 138 TYR OH : rot -166:sc= 0.862 USER MOD Single : A 143 LYS NZ :NH3+ -179:sc= -1.31 (180deg=-1.31) 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 ----------------------------------------------------------------- ATOM 15 N SER A 81 -18.146 -4.622 -2.257 1.00 0.00 N ATOM 16 CA SER A 81 -16.787 -4.783 -2.758 1.00 0.00 C ATOM 17 C SER A 81 -15.935 -3.578 -2.380 1.00 0.00 C ATOM 18 O SER A 81 -14.828 -3.725 -1.860 1.00 0.00 O ATOM 19 CB SER A 81 -16.812 -4.925 -4.281 1.00 0.00 C ATOM 20 OG SER A 81 -17.678 -3.941 -4.829 1.00 0.00 O ATOM 0 HA SER A 81 -16.356 -5.679 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.807 -4.807 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.153 -5.922 -4.559 1.00 0.00 H new ATOM 0 HG SER A 81 -18.349 -3.687 -4.161 1.00 0.00 H new ATOM 26 N GLU A 82 -16.453 -2.388 -2.656 1.00 0.00 N ATOM 27 CA GLU A 82 -15.731 -1.160 -2.357 1.00 0.00 C ATOM 28 C GLU A 82 -15.396 -1.089 -0.871 1.00 0.00 C ATOM 29 O GLU A 82 -14.272 -0.752 -0.497 1.00 0.00 O ATOM 30 CB GLU A 82 -16.590 0.040 -2.763 1.00 0.00 C ATOM 31 CG GLU A 82 -15.767 1.329 -2.684 1.00 0.00 C ATOM 32 CD GLU A 82 -14.770 1.390 -3.838 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.993 0.711 -4.826 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.800 2.121 -3.717 1.00 0.00 O ATOM 0 H GLU A 82 -17.368 -2.248 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.797 -1.145 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.966 -0.099 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.458 0.113 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.429 2.194 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.236 1.373 -1.733 1.00 0.00 H new ATOM 41 N GLU A 83 -16.364 -1.424 -0.028 1.00 0.00 N ATOM 42 CA GLU A 83 -16.145 -1.403 1.412 1.00 0.00 C ATOM 43 C GLU A 83 -15.034 -2.384 1.783 1.00 0.00 C ATOM 44 O GLU A 83 -14.185 -2.096 2.630 1.00 0.00 O ATOM 45 CB GLU A 83 -17.443 -1.781 2.133 1.00 0.00 C ATOM 46 CG GLU A 83 -18.491 -0.686 1.904 1.00 0.00 C ATOM 47 CD GLU A 83 -19.011 -0.749 0.471 1.00 0.00 C ATOM 48 OE1 GLU A 83 -18.820 -1.773 -0.165 1.00 0.00 O ATOM 49 OE2 GLU A 83 -19.595 0.229 0.030 1.00 0.00 O ATOM 0 H GLU A 83 -17.300 -1.711 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.845 -0.401 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.813 -2.737 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.257 -1.904 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.317 -0.810 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.053 0.293 2.097 1.00 0.00 H new ATOM 56 N GLU A 84 -15.038 -3.537 1.127 1.00 0.00 N ATOM 57 CA GLU A 84 -14.026 -4.552 1.371 1.00 0.00 C ATOM 58 C GLU A 84 -12.647 -4.043 0.945 1.00 0.00 C ATOM 59 O GLU A 84 -11.645 -4.312 1.604 1.00 0.00 O ATOM 60 CB GLU A 84 -14.409 -5.833 0.605 1.00 0.00 C ATOM 61 CG GLU A 84 -13.166 -6.679 0.321 1.00 0.00 C ATOM 62 CD GLU A 84 -13.569 -8.102 -0.053 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.511 -8.250 -0.814 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.928 -9.023 0.428 1.00 0.00 O ATOM 0 H GLU A 84 -15.731 -3.791 0.423 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.977 -4.777 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.125 -6.412 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.899 -5.570 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.591 -6.232 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.520 -6.695 1.199 1.00 0.00 H new ATOM 71 N LEU A 85 -12.606 -3.314 -0.157 1.00 0.00 N ATOM 72 CA LEU A 85 -11.344 -2.780 -0.652 1.00 0.00 C ATOM 73 C LEU A 85 -10.733 -1.849 0.386 1.00 0.00 C ATOM 74 O LEU A 85 -9.534 -1.899 0.659 1.00 0.00 O ATOM 75 CB LEU A 85 -11.581 -2.010 -1.957 1.00 0.00 C ATOM 76 CG LEU A 85 -10.272 -1.421 -2.487 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.274 -2.543 -2.820 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.569 -0.620 -3.754 1.00 0.00 C ATOM 0 H LEU A 85 -13.422 -3.079 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.659 -3.606 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.014 -2.676 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.302 -1.210 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.835 -0.777 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.348 -2.107 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.064 -3.122 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.702 -3.197 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.643 -0.195 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.009 -1.277 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.267 0.184 -3.521 1.00 0.00 H new ATOM 90 N LYS A 86 -11.571 -0.997 0.956 1.00 0.00 N ATOM 91 CA LYS A 86 -11.116 -0.048 1.962 1.00 0.00 C ATOM 92 C LYS A 86 -10.622 -0.771 3.205 1.00 0.00 C ATOM 93 O LYS A 86 -9.677 -0.323 3.858 1.00 0.00 O ATOM 94 CB LYS A 86 -12.241 0.925 2.308 1.00 0.00 C ATOM 95 CG LYS A 86 -12.635 1.708 1.036 1.00 0.00 C ATOM 96 CD LYS A 86 -13.189 3.087 1.404 1.00 0.00 C ATOM 97 CE LYS A 86 -14.518 2.934 2.141 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.960 4.269 2.625 1.00 0.00 N ATOM 0 H LYS A 86 -12.567 -0.943 0.741 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.279 0.518 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.102 0.382 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.917 1.613 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.766 1.820 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.382 1.148 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.475 3.620 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.330 3.684 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.269 2.506 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.406 2.247 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.865 4.174 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.244 4.659 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.081 4.910 1.815 1.00 0.00 H new ATOM 112 N GLU A 87 -11.224 -1.914 3.504 1.00 0.00 N ATOM 113 CA GLU A 87 -10.773 -2.697 4.646 1.00 0.00 C ATOM 114 C GLU A 87 -9.345 -3.159 4.376 1.00 0.00 C ATOM 115 O GLU A 87 -8.468 -3.055 5.233 1.00 0.00 O ATOM 116 CB GLU A 87 -11.683 -3.902 4.869 1.00 0.00 C ATOM 117 CG GLU A 87 -13.028 -3.429 5.419 1.00 0.00 C ATOM 118 CD GLU A 87 -12.860 -2.881 6.834 1.00 0.00 C ATOM 119 OE1 GLU A 87 -12.296 -3.585 7.656 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.296 -1.768 7.073 1.00 0.00 O ATOM 0 H GLU A 87 -12.007 -2.313 2.986 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.807 -2.084 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.830 -4.439 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.218 -4.599 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.443 -2.658 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.737 -4.256 5.424 1.00 0.00 H new ATOM 127 N ALA A 88 -9.123 -3.646 3.157 1.00 0.00 N ATOM 128 CA ALA A 88 -7.799 -4.102 2.749 1.00 0.00 C ATOM 129 C ALA A 88 -6.815 -2.941 2.840 1.00 0.00 C ATOM 130 O ALA A 88 -5.690 -3.088 3.311 1.00 0.00 O ATOM 131 CB ALA A 88 -7.853 -4.623 1.311 1.00 0.00 C ATOM 0 H ALA A 88 -9.841 -3.734 2.438 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.472 -4.907 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.862 -4.963 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.555 -5.454 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.180 -3.823 0.646 1.00 0.00 H new ATOM 137 N PHE A 89 -7.252 -1.782 2.384 1.00 0.00 N ATOM 138 CA PHE A 89 -6.419 -0.594 2.429 1.00 0.00 C ATOM 139 C PHE A 89 -6.073 -0.232 3.872 1.00 0.00 C ATOM 140 O PHE A 89 -4.925 0.074 4.192 1.00 0.00 O ATOM 141 CB PHE A 89 -7.168 0.558 1.776 1.00 0.00 C ATOM 142 CG PHE A 89 -6.402 1.837 1.976 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.268 2.098 1.206 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.826 2.754 2.943 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.555 3.283 1.397 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.115 3.938 3.138 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.976 4.204 2.363 1.00 0.00 C ATOM 0 H PHE A 89 -8.177 -1.637 1.979 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.490 -0.789 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.298 0.363 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.165 0.648 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.942 1.385 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.703 2.546 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.679 3.489 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.440 4.648 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.424 5.120 2.512 1.00 0.00 H new ATOM 157 N ARG A 90 -7.085 -0.260 4.730 1.00 0.00 N ATOM 158 CA ARG A 90 -6.902 0.081 6.133 1.00 0.00 C ATOM 159 C ARG A 90 -5.877 -0.851 6.770 1.00 0.00 C ATOM 160 O ARG A 90 -5.105 -0.444 7.638 1.00 0.00 O ATOM 161 CB ARG A 90 -8.240 -0.040 6.860 1.00 0.00 C ATOM 162 CG ARG A 90 -8.166 0.677 8.207 1.00 0.00 C ATOM 163 CD ARG A 90 -9.503 0.509 8.929 1.00 0.00 C ATOM 164 NE ARG A 90 -10.592 0.971 8.074 1.00 0.00 N ATOM 165 CZ ARG A 90 -11.014 2.234 8.104 1.00 0.00 C ATOM 166 NH1 ARG A 90 -10.201 3.202 7.780 1.00 0.00 N ATOM 167 NH2 ARG A 90 -12.241 2.504 8.459 1.00 0.00 N ATOM 0 H ARG A 90 -8.040 -0.515 4.478 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.537 1.105 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.035 0.392 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.488 -1.091 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.357 0.265 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.947 1.735 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.655 -0.538 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.496 1.074 9.861 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.040 0.311 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.242 2.992 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.525 4.169 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.876 1.748 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.564 3.471 8.482 1.00 0.00 H new ATOM 181 N VAL A 91 -5.853 -2.095 6.300 1.00 0.00 N ATOM 182 CA VAL A 91 -4.890 -3.077 6.796 1.00 0.00 C ATOM 183 C VAL A 91 -3.475 -2.647 6.412 1.00 0.00 C ATOM 184 O VAL A 91 -2.548 -2.698 7.223 1.00 0.00 O ATOM 185 CB VAL A 91 -5.184 -4.455 6.181 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.032 -5.426 6.462 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.484 -5.016 6.763 1.00 0.00 C ATOM 0 H VAL A 91 -6.485 -2.447 5.581 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.973 -3.139 7.881 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.289 -4.339 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.258 -6.396 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.112 -5.034 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.906 -5.539 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.688 -5.993 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.385 -5.118 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.307 -4.338 6.536 1.00 0.00 H new ATOM 197 N PHE A 92 -3.329 -2.242 5.155 1.00 0.00 N ATOM 198 CA PHE A 92 -2.040 -1.821 4.617 1.00 0.00 C ATOM 199 C PHE A 92 -1.472 -0.598 5.336 1.00 0.00 C ATOM 200 O PHE A 92 -0.266 -0.515 5.574 1.00 0.00 O ATOM 201 CB PHE A 92 -2.199 -1.476 3.121 1.00 0.00 C ATOM 202 CG PHE A 92 -2.105 -2.718 2.259 1.00 0.00 C ATOM 203 CD1 PHE A 92 -0.952 -3.514 2.300 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.163 -3.071 1.412 1.00 0.00 C ATOM 205 CE1 PHE A 92 -0.863 -4.654 1.500 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.070 -4.208 0.612 1.00 0.00 C ATOM 207 CZ PHE A 92 -1.920 -5.002 0.654 1.00 0.00 C ATOM 0 H PHE A 92 -4.096 -2.196 4.484 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.347 -2.650 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.160 -0.989 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.427 -0.766 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.133 -3.245 2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.053 -2.460 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.024 -5.269 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.887 -4.476 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.848 -5.883 0.034 1.00 0.00 H new ATOM 217 N ASP A 93 -2.327 0.364 5.628 1.00 0.00 N ATOM 218 CA ASP A 93 -1.883 1.602 6.261 1.00 0.00 C ATOM 219 C ASP A 93 -1.724 1.446 7.772 1.00 0.00 C ATOM 220 O ASP A 93 -2.656 1.703 8.534 1.00 0.00 O ATOM 221 CB ASP A 93 -2.894 2.708 5.953 1.00 0.00 C ATOM 222 CG ASP A 93 -2.291 4.080 6.249 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.096 4.148 6.496 1.00 0.00 O ATOM 224 OD2 ASP A 93 -3.037 5.047 6.221 1.00 0.00 O ATOM 0 H ASP A 93 -3.328 0.318 5.440 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.904 1.861 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.194 2.654 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.794 2.563 6.550 1.00 0.00 H new ATOM 229 N LYS A 94 -0.530 1.034 8.199 1.00 0.00 N ATOM 230 CA LYS A 94 -0.260 0.858 9.614 1.00 0.00 C ATOM 231 C LYS A 94 -0.456 2.187 10.333 1.00 0.00 C ATOM 232 O LYS A 94 -1.094 2.253 11.385 1.00 0.00 O ATOM 233 CB LYS A 94 1.179 0.382 9.812 1.00 0.00 C ATOM 234 CG LYS A 94 1.392 0.033 11.279 1.00 0.00 C ATOM 235 CD LYS A 94 2.811 -0.514 11.477 1.00 0.00 C ATOM 236 CE LYS A 94 3.005 -0.949 12.933 1.00 0.00 C ATOM 237 NZ LYS A 94 2.856 0.227 13.838 1.00 0.00 N ATOM 0 H LYS A 94 0.256 0.819 7.586 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.944 0.114 10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.376 -0.488 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.878 1.160 9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.242 0.917 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.658 -0.708 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.980 -1.360 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.544 0.249 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.274 -1.714 13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.992 -1.394 13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.232 -0.009 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.382 1.035 13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.850 0.477 13.920 1.00 0.00 H new ATOM 251 N ASP A 95 0.113 3.244 9.760 1.00 0.00 N ATOM 252 CA ASP A 95 0.015 4.576 10.342 1.00 0.00 C ATOM 253 C ASP A 95 -1.389 5.125 10.198 1.00 0.00 C ATOM 254 O ASP A 95 -1.707 6.158 10.765 1.00 0.00 O ATOM 255 CB ASP A 95 0.979 5.518 9.639 1.00 0.00 C ATOM 256 CG ASP A 95 2.364 4.894 9.592 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.732 4.240 10.554 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.033 5.072 8.586 1.00 0.00 O ATOM 0 H ASP A 95 0.647 3.202 8.892 1.00 0.00 H new ATOM 0 HA ASP A 95 0.265 4.501 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.628 5.724 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.017 6.472 10.164 1.00 0.00 H new ATOM 263 N GLN A 96 -2.199 4.425 9.419 1.00 0.00 N ATOM 264 CA GLN A 96 -3.590 4.822 9.172 1.00 0.00 C ATOM 265 C GLN A 96 -3.732 6.327 8.944 1.00 0.00 C ATOM 266 O GLN A 96 -4.610 6.958 9.520 1.00 0.00 O ATOM 267 CB GLN A 96 -4.514 4.334 10.333 1.00 0.00 C ATOM 268 CG GLN A 96 -4.506 5.283 11.574 1.00 0.00 C ATOM 269 CD GLN A 96 -4.495 4.474 12.911 1.00 0.00 C ATOM 270 OE1 GLN A 96 -5.279 3.535 13.068 1.00 0.00 O ATOM 271 NE2 GLN A 96 -3.623 4.764 13.864 1.00 0.00 N ATOM 0 H GLN A 96 -1.920 3.569 8.939 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.909 4.336 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.535 4.243 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.198 3.338 10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.631 5.931 11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.383 5.929 11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.972 5.539 13.741 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.602 4.212 14.722 1.00 0.00 H new ATOM 280 N ASN A 97 -2.882 6.890 8.076 1.00 0.00 N ATOM 281 CA ASN A 97 -2.951 8.323 7.759 1.00 0.00 C ATOM 282 C ASN A 97 -3.556 8.537 6.372 1.00 0.00 C ATOM 283 O ASN A 97 -3.615 9.660 5.873 1.00 0.00 O ATOM 284 CB ASN A 97 -1.549 8.927 7.801 1.00 0.00 C ATOM 285 CG ASN A 97 -0.675 8.287 6.729 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.117 7.376 6.029 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.545 8.713 6.557 1.00 0.00 N ATOM 0 H ASN A 97 -2.146 6.382 7.585 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.585 8.813 8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.603 10.004 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.106 8.771 8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.136 8.291 5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.908 9.468 7.139 1.00 0.00 H new ATOM 294 N GLY A 98 -3.994 7.443 5.759 1.00 0.00 N ATOM 295 CA GLY A 98 -4.589 7.503 4.423 1.00 0.00 C ATOM 296 C GLY A 98 -3.518 7.362 3.348 1.00 0.00 C ATOM 297 O GLY A 98 -3.700 7.795 2.210 1.00 0.00 O ATOM 0 H GLY A 98 -3.950 6.507 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.328 6.709 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.116 8.449 4.296 1.00 0.00 H new ATOM 301 N PHE A 99 -2.403 6.743 3.721 1.00 0.00 N ATOM 302 CA PHE A 99 -1.296 6.523 2.793 1.00 0.00 C ATOM 303 C PHE A 99 -0.554 5.251 3.159 1.00 0.00 C ATOM 304 O PHE A 99 -0.450 4.903 4.336 1.00 0.00 O ATOM 305 CB PHE A 99 -0.306 7.683 2.867 1.00 0.00 C ATOM 306 CG PHE A 99 -0.935 8.937 2.313 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.807 9.692 3.104 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.638 9.344 1.010 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.387 10.856 2.587 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.216 10.508 0.492 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.092 11.264 1.281 1.00 0.00 C ATOM 0 H PHE A 99 -2.240 6.383 4.662 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.709 6.445 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.001 7.846 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.595 7.439 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.032 9.377 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.038 8.760 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.062 11.439 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.987 10.823 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.540 12.162 0.882 1.00 0.00 H new ATOM 321 N ILE A 100 0.007 4.584 2.155 1.00 0.00 N ATOM 322 CA ILE A 100 0.795 3.379 2.394 1.00 0.00 C ATOM 323 C ILE A 100 2.225 3.673 1.989 1.00 0.00 C ATOM 324 O ILE A 100 2.485 4.154 0.890 1.00 0.00 O ATOM 325 CB ILE A 100 0.252 2.195 1.597 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.216 1.977 1.966 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.053 0.939 1.957 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.868 1.026 0.959 1.00 0.00 C ATOM 0 H ILE A 100 -0.068 4.855 1.174 1.00 0.00 H new ATOM 0 HA ILE A 100 0.741 3.109 3.449 1.00 0.00 H new ATOM 0 HB ILE A 100 0.339 2.395 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.290 1.563 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.744 2.931 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.671 0.089 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.104 1.095 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.955 0.738 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.914 0.874 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.808 1.457 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.347 0.069 0.973 1.00 0.00 H new ATOM 340 N SER A 101 3.146 3.403 2.893 1.00 0.00 N ATOM 341 CA SER A 101 4.561 3.656 2.641 1.00 0.00 C ATOM 342 C SER A 101 5.315 2.345 2.562 1.00 0.00 C ATOM 343 O SER A 101 4.877 1.336 3.113 1.00 0.00 O ATOM 344 CB SER A 101 5.136 4.520 3.765 1.00 0.00 C ATOM 345 OG SER A 101 4.191 5.520 4.119 1.00 0.00 O ATOM 0 H SER A 101 2.945 3.008 3.812 1.00 0.00 H new ATOM 0 HA SER A 101 4.667 4.182 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.370 3.901 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.069 4.983 3.443 1.00 0.00 H new ATOM 0 HG SER A 101 3.486 5.123 4.672 1.00 0.00 H new ATOM 351 N ALA A 102 6.463 2.360 1.894 1.00 0.00 N ATOM 352 CA ALA A 102 7.263 1.152 1.790 1.00 0.00 C ATOM 353 C ALA A 102 7.466 0.605 3.191 1.00 0.00 C ATOM 354 O ALA A 102 7.326 -0.593 3.438 1.00 0.00 O ATOM 355 CB ALA A 102 8.620 1.473 1.164 1.00 0.00 C ATOM 0 H ALA A 102 6.852 3.179 1.426 1.00 0.00 H new ATOM 0 HA ALA A 102 6.757 0.420 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.212 0.561 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.472 1.890 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.146 2.197 1.786 1.00 0.00 H new ATOM 361 N ALA A 103 7.771 1.518 4.106 1.00 0.00 N ATOM 362 CA ALA A 103 7.970 1.164 5.499 1.00 0.00 C ATOM 363 C ALA A 103 6.766 0.384 6.002 1.00 0.00 C ATOM 364 O ALA A 103 6.897 -0.725 6.520 1.00 0.00 O ATOM 365 CB ALA A 103 8.117 2.444 6.319 1.00 0.00 C ATOM 0 H ALA A 103 7.885 2.511 3.903 1.00 0.00 H new ATOM 0 HA ALA A 103 8.866 0.552 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.267 2.189 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.975 3.011 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.214 3.047 6.218 1.00 0.00 H new ATOM 371 N GLU A 104 5.591 0.971 5.826 1.00 0.00 N ATOM 372 CA GLU A 104 4.363 0.337 6.242 1.00 0.00 C ATOM 373 C GLU A 104 4.189 -0.979 5.499 1.00 0.00 C ATOM 374 O GLU A 104 3.823 -1.996 6.087 1.00 0.00 O ATOM 375 CB GLU A 104 3.199 1.269 5.930 1.00 0.00 C ATOM 376 CG GLU A 104 3.255 2.487 6.850 1.00 0.00 C ATOM 377 CD GLU A 104 2.134 3.451 6.492 1.00 0.00 C ATOM 378 OE1 GLU A 104 2.022 3.791 5.327 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.408 3.844 7.389 1.00 0.00 O ATOM 0 H GLU A 104 5.469 1.888 5.396 1.00 0.00 H new ATOM 0 HA GLU A 104 4.393 0.134 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.243 1.586 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.254 0.743 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.161 2.174 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.220 2.984 6.753 1.00 0.00 H new ATOM 386 N LEU A 105 4.463 -0.948 4.202 1.00 0.00 N ATOM 387 CA LEU A 105 4.344 -2.138 3.371 1.00 0.00 C ATOM 388 C LEU A 105 5.317 -3.216 3.855 1.00 0.00 C ATOM 389 O LEU A 105 4.978 -4.399 3.904 1.00 0.00 O ATOM 390 CB LEU A 105 4.645 -1.773 1.908 1.00 0.00 C ATOM 391 CG LEU A 105 3.987 -2.794 0.953 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.535 -2.386 0.665 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.759 -2.843 -0.368 1.00 0.00 C ATOM 0 H LEU A 105 4.769 -0.113 3.703 1.00 0.00 H new ATOM 0 HA LEU A 105 3.329 -2.528 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.273 -0.771 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.723 -1.755 1.745 1.00 0.00 H new ATOM 0 HG LEU A 105 4.004 -3.775 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.080 -3.112 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.973 -2.356 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.519 -1.400 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.290 -3.565 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.748 -1.857 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.789 -3.142 -0.176 1.00 0.00 H new ATOM 405 N ARG A 106 6.523 -2.789 4.227 1.00 0.00 N ATOM 406 CA ARG A 106 7.528 -3.714 4.720 1.00 0.00 C ATOM 407 C ARG A 106 7.009 -4.406 5.975 1.00 0.00 C ATOM 408 O ARG A 106 7.170 -5.615 6.146 1.00 0.00 O ATOM 409 CB ARG A 106 8.817 -2.957 5.044 1.00 0.00 C ATOM 410 CG ARG A 106 9.903 -3.950 5.450 1.00 0.00 C ATOM 411 CD ARG A 106 11.177 -3.190 5.803 1.00 0.00 C ATOM 412 NE ARG A 106 10.986 -2.417 7.025 1.00 0.00 N ATOM 413 CZ ARG A 106 11.935 -1.603 7.482 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.540 -0.781 6.667 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.262 -1.626 8.746 1.00 0.00 N ATOM 0 H ARG A 106 6.821 -1.814 4.195 1.00 0.00 H new ATOM 0 HA ARG A 106 7.737 -4.461 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.141 -2.382 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.640 -2.245 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.570 -4.541 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.096 -4.648 4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.002 -3.891 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.450 -2.525 4.984 1.00 0.00 H new ATOM 0 HE ARG A 106 10.109 -2.502 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.285 -0.762 5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.267 -0.158 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.790 -2.268 9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.989 -1.002 9.096 1.00 0.00 H new ATOM 429 N HIS A 107 6.385 -3.622 6.849 1.00 0.00 N ATOM 430 CA HIS A 107 5.842 -4.154 8.095 1.00 0.00 C ATOM 431 C HIS A 107 4.679 -5.109 7.822 1.00 0.00 C ATOM 432 O HIS A 107 4.593 -6.183 8.418 1.00 0.00 O ATOM 433 CB HIS A 107 5.363 -3.000 8.977 1.00 0.00 C ATOM 434 CG HIS A 107 6.552 -2.200 9.441 1.00 0.00 C ATOM 435 ND1 HIS A 107 7.856 -2.594 9.180 1.00 0.00 N ATOM 436 CD2 HIS A 107 6.649 -1.027 10.148 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.674 -1.674 9.722 1.00 0.00 C ATOM 438 NE2 HIS A 107 7.990 -0.697 10.325 1.00 0.00 N ATOM 0 H HIS A 107 6.243 -2.620 6.719 1.00 0.00 H new ATOM 0 HA HIS A 107 6.629 -4.709 8.606 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.676 -2.362 8.420 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.814 -3.387 9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.813 -0.448 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.752 -1.719 9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.369 0.116 10.811 1.00 0.00 H new ATOM 446 N VAL A 108 3.789 -4.710 6.917 1.00 0.00 N ATOM 447 CA VAL A 108 2.635 -5.539 6.570 1.00 0.00 C ATOM 448 C VAL A 108 3.100 -6.819 5.876 1.00 0.00 C ATOM 449 O VAL A 108 2.619 -7.911 6.178 1.00 0.00 O ATOM 450 CB VAL A 108 1.690 -4.745 5.662 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.520 -5.627 5.217 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.147 -3.536 6.432 1.00 0.00 C ATOM 0 H VAL A 108 3.842 -3.825 6.413 1.00 0.00 H new ATOM 0 HA VAL A 108 2.100 -5.817 7.478 1.00 0.00 H new ATOM 0 HB VAL A 108 2.239 -4.411 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.145 -5.052 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.902 -6.488 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.031 -5.970 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.474 -2.968 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.604 -3.879 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.976 -2.900 6.742 1.00 0.00 H new ATOM 462 N MET A 109 4.048 -6.672 4.954 1.00 0.00 N ATOM 463 CA MET A 109 4.586 -7.817 4.228 1.00 0.00 C ATOM 464 C MET A 109 5.282 -8.769 5.202 1.00 0.00 C ATOM 465 O MET A 109 5.169 -9.988 5.088 1.00 0.00 O ATOM 466 CB MET A 109 5.589 -7.337 3.169 1.00 0.00 C ATOM 467 CG MET A 109 4.844 -6.743 1.969 1.00 0.00 C ATOM 468 SD MET A 109 3.961 -8.053 1.083 1.00 0.00 S ATOM 469 CE MET A 109 3.056 -6.981 -0.062 1.00 0.00 C ATOM 0 H MET A 109 4.457 -5.775 4.693 1.00 0.00 H new ATOM 0 HA MET A 109 3.768 -8.343 3.736 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.255 -6.589 3.600 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.213 -8.170 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.140 -5.982 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.549 -6.250 1.299 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.434 -7.591 -0.717 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.425 -6.296 0.503 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.764 -6.410 -0.663 1.00 0.00 H new ATOM 479 N THR A 110 5.987 -8.194 6.171 1.00 0.00 N ATOM 480 CA THR A 110 6.681 -8.986 7.181 1.00 0.00 C ATOM 481 C THR A 110 5.672 -9.707 8.073 1.00 0.00 C ATOM 482 O THR A 110 5.822 -10.892 8.369 1.00 0.00 O ATOM 483 CB THR A 110 7.578 -8.080 8.028 1.00 0.00 C ATOM 484 OG1 THR A 110 8.558 -7.482 7.192 1.00 0.00 O ATOM 485 CG2 THR A 110 8.268 -8.906 9.117 1.00 0.00 C ATOM 0 H THR A 110 6.093 -7.185 6.278 1.00 0.00 H new ATOM 0 HA THR A 110 7.299 -9.731 6.681 1.00 0.00 H new ATOM 0 HB THR A 110 6.973 -7.305 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.138 -6.790 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.905 -8.257 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.515 -9.367 9.756 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.876 -9.683 8.654 1.00 0.00 H new ATOM 493 N ASN A 111 4.631 -8.981 8.480 1.00 0.00 N ATOM 494 CA ASN A 111 3.586 -9.558 9.322 1.00 0.00 C ATOM 495 C ASN A 111 2.912 -10.697 8.571 1.00 0.00 C ATOM 496 O ASN A 111 2.623 -11.759 9.122 1.00 0.00 O ATOM 497 CB ASN A 111 2.533 -8.487 9.634 1.00 0.00 C ATOM 498 CG ASN A 111 3.100 -7.435 10.581 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.013 -6.239 10.304 1.00 0.00 O ATOM 500 ND2 ASN A 111 3.669 -7.811 11.690 1.00 0.00 N ATOM 0 H ASN A 111 4.490 -7.999 8.242 1.00 0.00 H new ATOM 0 HA ASN A 111 4.028 -9.926 10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.205 -8.012 8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.655 -8.952 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.044 -7.113 12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.739 -8.803 11.916 1.00 0.00 H new ATOM 507 N LEU A 112 2.679 -10.436 7.296 1.00 0.00 N ATOM 508 CA LEU A 112 2.045 -11.380 6.387 1.00 0.00 C ATOM 509 C LEU A 112 2.896 -12.641 6.232 1.00 0.00 C ATOM 510 O LEU A 112 2.387 -13.761 6.245 1.00 0.00 O ATOM 511 CB LEU A 112 1.904 -10.644 5.048 1.00 0.00 C ATOM 512 CG LEU A 112 1.206 -11.476 3.954 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.051 -12.306 4.505 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.669 -10.520 2.880 1.00 0.00 C ATOM 0 H LEU A 112 2.928 -9.550 6.855 1.00 0.00 H new ATOM 0 HA LEU A 112 1.076 -11.707 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.341 -9.724 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.894 -10.355 4.696 1.00 0.00 H new ATOM 0 HG LEU A 112 1.938 -12.168 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.408 -12.874 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.426 -12.993 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.692 -11.645 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.172 -11.094 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.043 -9.829 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.496 -9.958 2.447 1.00 0.00 H new ATOM 526 N GLY A 113 4.197 -12.433 6.067 1.00 0.00 N ATOM 527 CA GLY A 113 5.141 -13.531 5.881 1.00 0.00 C ATOM 528 C GLY A 113 5.499 -13.604 4.410 1.00 0.00 C ATOM 529 O GLY A 113 6.214 -14.499 3.959 1.00 0.00 O ATOM 0 H GLY A 113 4.626 -11.507 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.036 -13.369 6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.700 -14.471 6.212 1.00 0.00 H new ATOM 533 N GLU A 114 5.011 -12.604 3.686 1.00 0.00 N ATOM 534 CA GLU A 114 5.271 -12.461 2.260 1.00 0.00 C ATOM 535 C GLU A 114 6.212 -11.279 2.065 1.00 0.00 C ATOM 536 O GLU A 114 5.782 -10.191 1.686 1.00 0.00 O ATOM 537 CB GLU A 114 3.960 -12.195 1.513 1.00 0.00 C ATOM 538 CG GLU A 114 3.067 -13.442 1.558 1.00 0.00 C ATOM 539 CD GLU A 114 1.702 -13.128 0.949 1.00 0.00 C ATOM 540 OE1 GLU A 114 1.534 -12.023 0.457 1.00 0.00 O ATOM 541 OE2 GLU A 114 0.845 -13.996 0.979 1.00 0.00 O ATOM 0 H GLU A 114 4.422 -11.867 4.073 1.00 0.00 H new ATOM 0 HA GLU A 114 5.718 -13.375 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.440 -11.349 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.170 -11.925 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.540 -14.258 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.947 -13.776 2.588 1.00 0.00 H new ATOM 548 N LYS A 115 7.498 -11.490 2.351 1.00 0.00 N ATOM 549 CA LYS A 115 8.495 -10.420 2.226 1.00 0.00 C ATOM 550 C LYS A 115 9.366 -10.633 1.000 1.00 0.00 C ATOM 551 O LYS A 115 9.832 -11.743 0.737 1.00 0.00 O ATOM 552 CB LYS A 115 9.368 -10.371 3.479 1.00 0.00 C ATOM 553 CG LYS A 115 10.306 -9.162 3.401 1.00 0.00 C ATOM 554 CD LYS A 115 11.129 -9.079 4.687 1.00 0.00 C ATOM 555 CE LYS A 115 12.055 -7.862 4.629 1.00 0.00 C ATOM 556 NZ LYS A 115 12.848 -7.784 5.889 1.00 0.00 N ATOM 0 H LYS A 115 7.874 -12.384 2.668 1.00 0.00 H new ATOM 0 HA LYS A 115 7.968 -9.472 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.742 -10.302 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.948 -11.290 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.966 -9.254 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.729 -8.247 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.467 -9.004 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.716 -9.989 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.722 -7.939 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.470 -6.952 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.478 -6.958 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.203 -7.692 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.417 -8.648 5.995 1.00 0.00 H new ATOM 570 N LEU A 116 9.581 -9.556 0.245 1.00 0.00 N ATOM 571 CA LEU A 116 10.395 -9.609 -0.969 1.00 0.00 C ATOM 572 C LEU A 116 11.698 -8.854 -0.754 1.00 0.00 C ATOM 573 O LEU A 116 11.970 -8.356 0.339 1.00 0.00 O ATOM 574 CB LEU A 116 9.651 -8.971 -2.152 1.00 0.00 C ATOM 575 CG LEU A 116 8.191 -9.449 -2.200 1.00 0.00 C ATOM 576 CD1 LEU A 116 8.151 -10.986 -2.165 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.379 -8.846 -1.020 1.00 0.00 C ATOM 0 H LEU A 116 9.201 -8.633 0.454 1.00 0.00 H new ATOM 0 HA LEU A 116 10.599 -10.656 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.680 -7.885 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.153 -9.228 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 116 7.733 -9.106 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.115 -11.324 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.691 -11.384 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.619 -11.341 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.348 -9.196 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.822 -9.160 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.396 -7.758 -1.085 1.00 0.00 H new ATOM 589 N THR A 117 12.488 -8.759 -1.811 1.00 0.00 N ATOM 590 CA THR A 117 13.751 -8.045 -1.741 1.00 0.00 C ATOM 591 C THR A 117 13.488 -6.558 -1.611 1.00 0.00 C ATOM 592 O THR A 117 12.363 -6.099 -1.787 1.00 0.00 O ATOM 593 CB THR A 117 14.570 -8.302 -3.003 1.00 0.00 C ATOM 594 OG1 THR A 117 13.878 -7.779 -4.125 1.00 0.00 O ATOM 595 CG2 THR A 117 14.771 -9.803 -3.186 1.00 0.00 C ATOM 0 H THR A 117 12.278 -9.165 -2.723 1.00 0.00 H new ATOM 0 HA THR A 117 14.308 -8.398 -0.873 1.00 0.00 H new ATOM 0 HB THR A 117 15.541 -7.816 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.402 -7.941 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.356 -9.984 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.300 -10.207 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.801 -10.291 -3.278 1.00 0.00 H new ATOM 603 N ASP A 118 14.531 -5.804 -1.314 1.00 0.00 N ATOM 604 CA ASP A 118 14.399 -4.372 -1.181 1.00 0.00 C ATOM 605 C ASP A 118 13.969 -3.763 -2.508 1.00 0.00 C ATOM 606 O ASP A 118 13.144 -2.852 -2.550 1.00 0.00 O ATOM 607 CB ASP A 118 15.744 -3.802 -0.738 1.00 0.00 C ATOM 608 CG ASP A 118 16.004 -4.145 0.726 1.00 0.00 C ATOM 609 OD1 ASP A 118 15.064 -4.532 1.402 1.00 0.00 O ATOM 610 OD2 ASP A 118 17.141 -4.017 1.153 1.00 0.00 O ATOM 0 H ASP A 118 15.474 -6.162 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 118 13.638 -4.132 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.542 -4.206 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.751 -2.720 -0.873 1.00 0.00 H new ATOM 615 N GLU A 119 14.553 -4.266 -3.587 1.00 0.00 N ATOM 616 CA GLU A 119 14.253 -3.774 -4.924 1.00 0.00 C ATOM 617 C GLU A 119 12.838 -4.143 -5.367 1.00 0.00 C ATOM 618 O GLU A 119 12.167 -3.346 -6.023 1.00 0.00 O ATOM 619 CB GLU A 119 15.265 -4.356 -5.906 1.00 0.00 C ATOM 620 CG GLU A 119 16.664 -3.769 -5.641 1.00 0.00 C ATOM 621 CD GLU A 119 17.347 -4.517 -4.498 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.693 -5.340 -3.879 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.512 -4.252 -4.255 1.00 0.00 O ATOM 0 H GLU A 119 15.241 -5.019 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 119 14.317 -2.686 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.294 -5.441 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.958 -4.136 -6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.271 -3.838 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.580 -2.711 -5.393 1.00 0.00 H new ATOM 630 N GLU A 120 12.362 -5.326 -4.992 1.00 0.00 N ATOM 631 CA GLU A 120 11.006 -5.712 -5.361 1.00 0.00 C ATOM 632 C GLU A 120 10.034 -4.796 -4.645 1.00 0.00 C ATOM 633 O GLU A 120 9.075 -4.290 -5.227 1.00 0.00 O ATOM 634 CB GLU A 120 10.728 -7.160 -4.959 1.00 0.00 C ATOM 635 CG GLU A 120 11.406 -8.105 -5.949 1.00 0.00 C ATOM 636 CD GLU A 120 10.686 -8.064 -7.293 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.475 -8.211 -7.300 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.356 -7.886 -8.297 1.00 0.00 O ATOM 0 H GLU A 120 12.879 -6.017 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 120 10.889 -5.627 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 120 11.099 -7.346 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.654 -7.344 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.450 -7.820 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.400 -9.121 -5.556 1.00 0.00 H new ATOM 645 N VAL A 121 10.312 -4.593 -3.363 1.00 0.00 N ATOM 646 CA VAL A 121 9.490 -3.741 -2.525 1.00 0.00 C ATOM 647 C VAL A 121 9.488 -2.314 -3.073 1.00 0.00 C ATOM 648 O VAL A 121 8.434 -1.691 -3.208 1.00 0.00 O ATOM 649 CB VAL A 121 10.065 -3.765 -1.100 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.463 -2.640 -0.256 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.741 -5.113 -0.452 1.00 0.00 C ATOM 0 H VAL A 121 11.108 -5.012 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 121 8.462 -4.103 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 121 11.144 -3.622 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.883 -2.675 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.695 -1.678 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.382 -2.765 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.146 -5.137 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.660 -5.248 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.186 -5.916 -1.040 1.00 0.00 H new ATOM 661 N ASP A 122 10.676 -1.803 -3.387 1.00 0.00 N ATOM 662 CA ASP A 122 10.804 -0.451 -3.924 1.00 0.00 C ATOM 663 C ASP A 122 10.193 -0.348 -5.325 1.00 0.00 C ATOM 664 O ASP A 122 9.390 0.546 -5.594 1.00 0.00 O ATOM 665 CB ASP A 122 12.282 -0.063 -3.979 1.00 0.00 C ATOM 666 CG ASP A 122 12.424 1.394 -4.403 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.417 1.994 -4.736 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.539 1.888 -4.390 1.00 0.00 O ATOM 0 H ASP A 122 11.559 -2.302 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 122 10.263 0.230 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.742 -0.212 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.810 -0.708 -4.682 1.00 0.00 H new ATOM 673 N GLU A 123 10.589 -1.255 -6.220 1.00 0.00 N ATOM 674 CA GLU A 123 10.080 -1.241 -7.592 1.00 0.00 C ATOM 675 C GLU A 123 8.558 -1.296 -7.605 1.00 0.00 C ATOM 676 O GLU A 123 7.909 -0.591 -8.379 1.00 0.00 O ATOM 677 CB GLU A 123 10.650 -2.430 -8.372 1.00 0.00 C ATOM 678 CG GLU A 123 12.126 -2.176 -8.698 1.00 0.00 C ATOM 679 CD GLU A 123 12.744 -3.424 -9.318 1.00 0.00 C ATOM 680 OE1 GLU A 123 12.012 -4.370 -9.557 1.00 0.00 O ATOM 681 OE2 GLU A 123 13.944 -3.418 -9.542 1.00 0.00 O ATOM 0 H GLU A 123 11.255 -2.002 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 123 10.396 -0.312 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.549 -3.343 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.085 -2.578 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.216 -1.335 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.666 -1.905 -7.791 1.00 0.00 H new ATOM 688 N MET A 124 7.996 -2.118 -6.735 1.00 0.00 N ATOM 689 CA MET A 124 6.551 -2.237 -6.634 1.00 0.00 C ATOM 690 C MET A 124 5.951 -0.916 -6.167 1.00 0.00 C ATOM 691 O MET A 124 4.917 -0.468 -6.663 1.00 0.00 O ATOM 692 CB MET A 124 6.213 -3.353 -5.642 1.00 0.00 C ATOM 693 CG MET A 124 4.711 -3.374 -5.360 1.00 0.00 C ATOM 694 SD MET A 124 4.245 -4.993 -4.696 1.00 0.00 S ATOM 695 CE MET A 124 5.409 -5.026 -3.309 1.00 0.00 C ATOM 0 H MET A 124 8.517 -2.712 -6.090 1.00 0.00 H new ATOM 0 HA MET A 124 6.132 -2.479 -7.611 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.528 -4.315 -6.046 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.762 -3.202 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.452 -2.589 -4.649 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.155 -3.171 -6.275 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.008 -5.652 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.363 -5.432 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.557 -4.013 -2.934 1.00 0.00 H new ATOM 705 N ILE A 125 6.628 -0.307 -5.209 1.00 0.00 N ATOM 706 CA ILE A 125 6.207 0.973 -4.646 1.00 0.00 C ATOM 707 C ILE A 125 6.302 2.098 -5.688 1.00 0.00 C ATOM 708 O ILE A 125 5.371 2.890 -5.838 1.00 0.00 O ATOM 709 CB ILE A 125 7.085 1.258 -3.409 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.556 0.447 -2.202 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.117 2.751 -3.070 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.364 1.161 -1.534 1.00 0.00 C ATOM 0 H ILE A 125 7.483 -0.681 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 125 5.160 0.927 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 125 8.106 0.953 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.251 -0.546 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.356 0.309 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.745 2.912 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.523 3.307 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.105 3.098 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.012 0.569 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.679 2.144 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.557 1.276 -2.257 1.00 0.00 H new ATOM 724 N ARG A 126 7.411 2.154 -6.417 1.00 0.00 N ATOM 725 CA ARG A 126 7.586 3.176 -7.450 1.00 0.00 C ATOM 726 C ARG A 126 6.613 2.932 -8.599 1.00 0.00 C ATOM 727 O ARG A 126 6.112 3.871 -9.221 1.00 0.00 O ATOM 728 CB ARG A 126 9.021 3.173 -7.979 1.00 0.00 C ATOM 729 CG ARG A 126 9.954 3.760 -6.921 1.00 0.00 C ATOM 730 CD ARG A 126 11.398 3.692 -7.418 1.00 0.00 C ATOM 731 NE ARG A 126 12.299 4.268 -6.427 1.00 0.00 N ATOM 732 CZ ARG A 126 13.555 4.569 -6.733 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.809 5.358 -7.743 1.00 0.00 N ATOM 734 NH2 ARG A 126 14.534 4.080 -6.024 1.00 0.00 N ATOM 0 H ARG A 126 8.197 1.512 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 126 7.381 4.150 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.327 2.156 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.083 3.756 -8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.679 4.794 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.854 3.208 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.675 2.656 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.491 4.230 -8.361 1.00 0.00 H new ATOM 0 HE ARG A 126 11.958 4.443 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.042 5.742 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.774 5.590 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.335 3.466 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.499 4.311 -6.259 1.00 0.00 H new ATOM 748 N GLU A 127 6.357 1.659 -8.867 1.00 0.00 N ATOM 749 CA GLU A 127 5.444 1.266 -9.932 1.00 0.00 C ATOM 750 C GLU A 127 4.008 1.655 -9.580 1.00 0.00 C ATOM 751 O GLU A 127 3.222 2.031 -10.450 1.00 0.00 O ATOM 752 CB GLU A 127 5.547 -0.245 -10.149 1.00 0.00 C ATOM 753 CG GLU A 127 4.642 -0.674 -11.305 1.00 0.00 C ATOM 754 CD GLU A 127 4.775 -2.177 -11.530 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.719 -2.751 -11.014 1.00 0.00 O ATOM 756 OE2 GLU A 127 3.930 -2.730 -12.213 1.00 0.00 O ATOM 0 H GLU A 127 6.771 0.877 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 127 5.719 1.785 -10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.580 -0.520 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.261 -0.771 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.606 -0.420 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.914 -0.135 -12.212 1.00 0.00 H new ATOM 763 N ALA A 128 3.680 1.572 -8.293 1.00 0.00 N ATOM 764 CA ALA A 128 2.342 1.932 -7.829 1.00 0.00 C ATOM 765 C ALA A 128 2.228 3.455 -7.667 1.00 0.00 C ATOM 766 O ALA A 128 1.127 3.983 -7.537 1.00 0.00 O ATOM 767 CB ALA A 128 2.024 1.230 -6.499 1.00 0.00 C ATOM 0 H ALA A 128 4.316 1.262 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 128 1.618 1.603 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.024 1.511 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.071 0.150 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.752 1.531 -5.746 1.00 0.00 H new ATOM 773 N ASP A 129 3.374 4.151 -7.680 1.00 0.00 N ATOM 774 CA ASP A 129 3.400 5.619 -7.538 1.00 0.00 C ATOM 775 C ASP A 129 3.609 6.285 -8.902 1.00 0.00 C ATOM 776 O ASP A 129 4.550 5.963 -9.628 1.00 0.00 O ATOM 777 CB ASP A 129 4.515 6.030 -6.576 1.00 0.00 C ATOM 778 CG ASP A 129 4.146 5.635 -5.147 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.097 6.063 -4.687 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.915 4.914 -4.535 1.00 0.00 O ATOM 0 H ASP A 129 4.294 3.725 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 129 2.442 5.948 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.450 5.550 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.678 7.106 -6.634 1.00 0.00 H new ATOM 785 N VAL A 130 2.682 7.170 -9.260 1.00 0.00 N ATOM 786 CA VAL A 130 2.686 7.850 -10.550 1.00 0.00 C ATOM 787 C VAL A 130 2.521 9.359 -10.311 1.00 0.00 C ATOM 788 O VAL A 130 2.890 10.186 -11.148 1.00 0.00 O ATOM 789 CB VAL A 130 1.530 7.188 -11.342 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.209 7.546 -10.674 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.457 7.566 -12.833 1.00 0.00 C ATOM 0 H VAL A 130 1.902 7.436 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 130 3.610 7.754 -11.121 1.00 0.00 H new ATOM 0 HB VAL A 130 1.729 6.117 -11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.613 7.086 -11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.210 7.180 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.083 8.629 -10.673 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.616 7.052 -13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.322 8.643 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.382 7.271 -13.329 1.00 0.00 H new ATOM 801 N ASP A 131 2.029 9.705 -9.117 1.00 0.00 N ATOM 802 CA ASP A 131 1.892 11.106 -8.731 1.00 0.00 C ATOM 803 C ASP A 131 3.263 11.598 -8.301 1.00 0.00 C ATOM 804 O ASP A 131 3.507 12.800 -8.177 1.00 0.00 O ATOM 805 CB ASP A 131 0.916 11.244 -7.560 1.00 0.00 C ATOM 806 CG ASP A 131 -0.405 10.577 -7.906 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.999 10.966 -8.899 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.801 9.679 -7.180 1.00 0.00 O ATOM 0 H ASP A 131 1.722 9.038 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 131 1.509 11.689 -9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.341 10.788 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.753 12.298 -7.333 1.00 0.00 H new ATOM 813 N GLY A 132 4.155 10.635 -8.082 1.00 0.00 N ATOM 814 CA GLY A 132 5.515 10.953 -7.673 1.00 0.00 C ATOM 815 C GLY A 132 5.557 11.487 -6.238 1.00 0.00 C ATOM 816 O GLY A 132 5.746 12.684 -6.018 1.00 0.00 O ATOM 0 H GLY A 132 3.961 9.638 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.137 10.061 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.936 11.695 -8.351 1.00 0.00 H new ATOM 820 N ASP A 133 5.371 10.591 -5.268 1.00 0.00 N ATOM 821 CA ASP A 133 5.387 10.977 -3.854 1.00 0.00 C ATOM 822 C ASP A 133 6.054 9.902 -3.001 1.00 0.00 C ATOM 823 O ASP A 133 6.593 10.189 -1.931 1.00 0.00 O ATOM 824 CB ASP A 133 3.955 11.190 -3.368 1.00 0.00 C ATOM 825 CG ASP A 133 3.168 9.892 -3.500 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.689 8.967 -4.103 1.00 0.00 O ATOM 827 OD2 ASP A 133 2.056 9.841 -3.002 1.00 0.00 O ATOM 0 H ASP A 133 5.208 9.598 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 133 5.957 11.901 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.959 11.520 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.477 11.977 -3.951 1.00 0.00 H new ATOM 832 N GLY A 134 6.013 8.662 -3.480 1.00 0.00 N ATOM 833 CA GLY A 134 6.615 7.543 -2.752 1.00 0.00 C ATOM 834 C GLY A 134 5.604 6.910 -1.804 1.00 0.00 C ATOM 835 O GLY A 134 5.934 6.009 -1.035 1.00 0.00 O ATOM 0 H GLY A 134 5.573 8.405 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.976 6.795 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.480 7.893 -2.188 1.00 0.00 H new ATOM 839 N GLN A 135 4.362 7.378 -1.887 1.00 0.00 N ATOM 840 CA GLN A 135 3.280 6.853 -1.059 1.00 0.00 C ATOM 841 C GLN A 135 2.068 6.586 -1.930 1.00 0.00 C ATOM 842 O GLN A 135 1.852 7.263 -2.935 1.00 0.00 O ATOM 843 CB GLN A 135 2.898 7.854 0.033 1.00 0.00 C ATOM 844 CG GLN A 135 3.978 7.896 1.106 1.00 0.00 C ATOM 845 CD GLN A 135 3.744 9.073 2.044 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.641 9.250 2.561 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.724 9.897 2.293 1.00 0.00 N ATOM 0 H GLN A 135 4.079 8.124 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 135 3.619 5.930 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.767 8.845 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.944 7.572 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.975 6.965 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.960 7.982 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.637 9.748 1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.577 10.690 2.917 1.00 0.00 H new ATOM 856 N ILE A 136 1.274 5.603 -1.540 1.00 0.00 N ATOM 857 CA ILE A 136 0.075 5.252 -2.285 1.00 0.00 C ATOM 858 C ILE A 136 -1.130 5.740 -1.513 1.00 0.00 C ATOM 859 O ILE A 136 -1.393 5.285 -0.398 1.00 0.00 O ATOM 860 CB ILE A 136 0.000 3.723 -2.485 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.269 3.232 -3.215 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.232 3.338 -3.322 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.435 3.027 -2.239 1.00 0.00 C ATOM 0 H ILE A 136 1.438 5.033 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 136 0.098 5.721 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.077 3.256 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.055 2.295 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.555 3.956 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.262 2.256 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -2.136 3.669 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.172 3.816 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.312 2.681 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.665 3.970 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.158 2.283 -1.492 1.00 0.00 H new ATOM 875 N ASN A 137 -1.880 6.644 -2.120 1.00 0.00 N ATOM 876 CA ASN A 137 -3.080 7.154 -1.492 1.00 0.00 C ATOM 877 C ASN A 137 -4.195 6.171 -1.800 1.00 0.00 C ATOM 878 O ASN A 137 -3.995 5.244 -2.585 1.00 0.00 O ATOM 879 CB ASN A 137 -3.405 8.550 -2.032 1.00 0.00 C ATOM 880 CG ASN A 137 -4.683 9.079 -1.392 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.048 8.661 -0.292 1.00 0.00 O ATOM 882 ND2 ASN A 137 -5.386 9.987 -2.012 1.00 0.00 N ATOM 0 H ASN A 137 -1.679 7.036 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.952 7.250 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.578 9.229 -1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.522 8.511 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.238 10.351 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.083 10.333 -2.923 1.00 0.00 H new ATOM 889 N TYR A 138 -5.346 6.329 -1.182 1.00 0.00 N ATOM 890 CA TYR A 138 -6.423 5.385 -1.427 1.00 0.00 C ATOM 891 C TYR A 138 -6.748 5.302 -2.919 1.00 0.00 C ATOM 892 O TYR A 138 -6.903 4.211 -3.463 1.00 0.00 O ATOM 893 CB TYR A 138 -7.672 5.783 -0.646 1.00 0.00 C ATOM 894 CG TYR A 138 -8.768 4.813 -0.997 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.653 3.479 -0.600 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.879 5.234 -1.734 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.647 2.562 -0.939 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.879 4.318 -2.071 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.763 2.981 -1.676 1.00 0.00 C ATOM 900 OH TYR A 138 -11.747 2.072 -2.009 1.00 0.00 O ATOM 0 H TYR A 138 -5.561 7.078 -0.524 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.091 4.404 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.474 5.763 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.970 6.801 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.794 3.158 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.964 6.266 -2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.557 1.530 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.741 4.642 -2.636 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.329 2.457 -2.697 1.00 0.00 H new ATOM 910 N GLU A 139 -6.857 6.448 -3.577 1.00 0.00 N ATOM 911 CA GLU A 139 -7.178 6.462 -5.001 1.00 0.00 C ATOM 912 C GLU A 139 -6.146 5.667 -5.802 1.00 0.00 C ATOM 913 O GLU A 139 -6.501 4.870 -6.665 1.00 0.00 O ATOM 914 CB GLU A 139 -7.225 7.907 -5.504 1.00 0.00 C ATOM 915 CG GLU A 139 -5.823 8.517 -5.441 1.00 0.00 C ATOM 916 CD GLU A 139 -5.898 10.029 -5.605 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.837 10.616 -5.094 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.010 10.579 -6.236 1.00 0.00 O ATOM 0 H GLU A 139 -6.730 7.369 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.153 5.994 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.599 7.935 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.915 8.492 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.354 8.270 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.197 8.090 -6.225 1.00 0.00 H new ATOM 925 N GLU A 140 -4.871 5.894 -5.521 1.00 0.00 N ATOM 926 CA GLU A 140 -3.808 5.197 -6.235 1.00 0.00 C ATOM 927 C GLU A 140 -3.837 3.713 -5.894 1.00 0.00 C ATOM 928 O GLU A 140 -3.619 2.856 -6.750 1.00 0.00 O ATOM 929 CB GLU A 140 -2.463 5.797 -5.845 1.00 0.00 C ATOM 930 CG GLU A 140 -1.381 5.314 -6.808 1.00 0.00 C ATOM 931 CD GLU A 140 -0.076 6.039 -6.512 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.582 5.667 -5.553 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.250 6.956 -7.248 1.00 0.00 O ATOM 0 H GLU A 140 -4.548 6.550 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.957 5.311 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.521 6.885 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.209 5.510 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.242 4.238 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.687 5.500 -7.838 1.00 0.00 H new ATOM 940 N PHE A 141 -4.144 3.429 -4.636 1.00 0.00 N ATOM 941 CA PHE A 141 -4.247 2.056 -4.168 1.00 0.00 C ATOM 942 C PHE A 141 -5.337 1.342 -4.943 1.00 0.00 C ATOM 943 O PHE A 141 -5.187 0.191 -5.349 1.00 0.00 O ATOM 944 CB PHE A 141 -4.575 2.036 -2.676 1.00 0.00 C ATOM 945 CG PHE A 141 -4.799 0.609 -2.224 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.740 -0.310 -2.233 1.00 0.00 C ATOM 947 CD2 PHE A 141 -6.068 0.204 -1.792 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.953 -1.625 -1.816 1.00 0.00 C ATOM 949 CE2 PHE A 141 -6.277 -1.111 -1.375 1.00 0.00 C ATOM 950 CZ PHE A 141 -5.222 -2.026 -1.386 1.00 0.00 C ATOM 0 H PHE A 141 -4.326 4.133 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.295 1.549 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.760 2.484 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.465 2.634 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.759 -0.000 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.885 0.910 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.138 -2.333 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.257 -1.422 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.386 -3.043 -1.062 1.00 0.00 H new ATOM 960 N VAL A 142 -6.435 2.052 -5.143 1.00 0.00 N ATOM 961 CA VAL A 142 -7.563 1.517 -5.877 1.00 0.00 C ATOM 962 C VAL A 142 -7.119 1.177 -7.295 1.00 0.00 C ATOM 963 O VAL A 142 -7.454 0.120 -7.829 1.00 0.00 O ATOM 964 CB VAL A 142 -8.699 2.553 -5.887 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.820 2.099 -6.828 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.258 2.733 -4.455 1.00 0.00 C ATOM 0 H VAL A 142 -6.567 3.005 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.930 0.608 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.304 3.505 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.619 2.841 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.426 1.992 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.214 1.141 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.063 3.468 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.643 1.780 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.462 3.078 -3.795 1.00 0.00 H new ATOM 976 N LYS A 143 -6.349 2.083 -7.894 1.00 0.00 N ATOM 977 CA LYS A 143 -5.843 1.873 -9.246 1.00 0.00 C ATOM 978 C LYS A 143 -4.911 0.655 -9.299 1.00 0.00 C ATOM 979 O LYS A 143 -5.008 -0.169 -10.210 1.00 0.00 O ATOM 980 CB LYS A 143 -5.080 3.121 -9.716 1.00 0.00 C ATOM 981 CG LYS A 143 -6.055 4.292 -9.936 1.00 0.00 C ATOM 982 CD LYS A 143 -5.408 5.378 -10.814 1.00 0.00 C ATOM 983 CE LYS A 143 -4.382 6.178 -10.004 1.00 0.00 C ATOM 984 NZ LYS A 143 -5.070 6.895 -8.892 1.00 0.00 N ATOM 0 H LYS A 143 -6.064 2.964 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.693 1.691 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.330 3.398 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.548 2.903 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.967 3.929 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.343 4.718 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -4.922 4.918 -11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -6.176 6.047 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.620 5.510 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -3.871 6.892 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.374 7.451 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -5.793 7.532 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -5.523 6.204 -8.261 1.00 0.00 H new ATOM 998 N VAL A 144 -4.011 0.543 -8.320 1.00 0.00 N ATOM 999 CA VAL A 144 -3.073 -0.575 -8.262 1.00 0.00 C ATOM 1000 C VAL A 144 -3.785 -1.893 -7.961 1.00 0.00 C ATOM 1001 O VAL A 144 -3.471 -2.929 -8.549 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.028 -0.303 -7.178 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.106 -1.516 -7.026 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.209 0.933 -7.559 1.00 0.00 C ATOM 0 H VAL A 144 -3.914 1.214 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.594 -0.666 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.531 -0.123 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.365 -1.315 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.696 -2.388 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.600 -1.709 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.464 1.128 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.708 0.758 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.871 1.794 -7.650 1.00 0.00 H new ATOM 1014 N MET A 145 -4.730 -1.845 -7.031 1.00 0.00 N ATOM 1015 CA MET A 145 -5.473 -3.041 -6.643 1.00 0.00 C ATOM 1016 C MET A 145 -6.432 -3.469 -7.742 1.00 0.00 C ATOM 1017 O MET A 145 -6.590 -4.659 -8.020 1.00 0.00 O ATOM 1018 CB MET A 145 -6.254 -2.773 -5.355 1.00 0.00 C ATOM 1019 CG MET A 145 -6.936 -4.072 -4.856 1.00 0.00 C ATOM 1020 SD MET A 145 -6.653 -4.272 -3.077 1.00 0.00 S ATOM 1021 CE MET A 145 -5.051 -5.109 -3.199 1.00 0.00 C ATOM 0 H MET A 145 -5.000 -0.997 -6.533 1.00 0.00 H new ATOM 0 HA MET A 145 -4.758 -3.847 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.581 -2.390 -4.587 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.007 -2.005 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.006 -4.033 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.539 -4.932 -5.395 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.680 -5.333 -2.199 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.167 -6.037 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.340 -4.462 -3.713 1.00 0.00 H new ATOM 1031 N MET A 146 -7.065 -2.488 -8.362 1.00 0.00 N ATOM 1032 CA MET A 146 -8.012 -2.766 -9.438 1.00 0.00 C ATOM 1033 C MET A 146 -7.308 -3.428 -10.621 1.00 0.00 C ATOM 1034 O MET A 146 -7.825 -4.380 -11.207 1.00 0.00 O ATOM 1035 CB MET A 146 -8.686 -1.471 -9.905 1.00 0.00 C ATOM 1036 CG MET A 146 -9.664 -1.773 -11.051 1.00 0.00 C ATOM 1037 SD MET A 146 -8.765 -1.777 -12.622 1.00 0.00 S ATOM 1038 CE MET A 146 -10.135 -2.327 -13.668 1.00 0.00 C ATOM 0 H MET A 146 -6.945 -1.499 -8.144 1.00 0.00 H new ATOM 0 HA MET A 146 -8.770 -3.447 -9.051 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.218 -1.008 -9.074 1.00 0.00 H new ATOM 0 HB3 MET A 146 -7.932 -0.758 -10.238 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.142 -2.739 -10.891 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.456 -1.025 -11.074 1.00 0.00 H new ATOM 0 HE1 MET A 146 -9.797 -2.400 -14.702 1.00 0.00 H new ATOM 0 HE2 MET A 146 -10.482 -3.303 -13.330 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.953 -1.609 -13.604 1.00 0.00 H new