USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 472 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 84 GLN : amide:sc= -0.0038 X(o=-0.0038,f=0) USER MOD Set 1.2: A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= -0.484 X(o=-0.48,f=-0.46) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.791 USER MOD Single : A 107 MET CE :methyl 179:sc= -0.183 (180deg=-0.185) USER MOD Single : A 112 GLN : amide:sc= 0.638 K(o=0.64,f=-0.011) USER MOD Single : A 116 GLN : amide:sc= 0.648 K(o=0.65,f=-0.46) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN :FLIP amide:sc= -0.0138 F(o=-0.81,f=-0.014) USER MOD Single : A 135 ASN : amide:sc= 1.11 K(o=1.1,f=-1.3) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.646 -14.066 -3.590 1.00 10.00 N ATOM 38 CA ALA A 78 -1.154 -12.929 -2.886 1.00 10.00 C ATOM 39 C ALA A 78 -1.032 -11.770 -3.868 1.00 10.00 C ATOM 40 O ALA A 78 -1.914 -11.571 -4.699 1.00 10.00 O ATOM 41 CB ALA A 78 -0.324 -12.767 -1.620 1.00 10.00 C ATOM 0 HA ALA A 78 -2.192 -13.005 -2.563 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.684 -11.907 -1.056 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -0.414 -13.665 -1.009 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.721 -12.613 -1.888 1.00 10.00 H new ATOM 47 N GLY A 79 0.089 -11.050 -3.828 1.00 10.00 N ATOM 48 CA GLY A 79 0.325 -9.878 -4.641 1.00 10.00 C ATOM 49 C GLY A 79 -0.855 -8.918 -4.531 1.00 10.00 C ATOM 50 O GLY A 79 -1.027 -8.255 -3.509 1.00 10.00 O ATOM 0 H GLY A 79 0.870 -11.278 -3.213 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.240 -9.381 -4.319 1.00 10.00 H new ATOM 0 HA3 GLY A 79 0.470 -10.170 -5.681 1.00 10.00 H new ATOM 54 N LEU A 80 -1.713 -8.904 -5.553 1.00 10.00 N ATOM 55 CA LEU A 80 -2.957 -8.184 -5.537 1.00 10.00 C ATOM 56 C LEU A 80 -3.763 -8.515 -4.287 1.00 10.00 C ATOM 57 O LEU A 80 -4.285 -7.602 -3.664 1.00 10.00 O ATOM 58 CB LEU A 80 -3.751 -8.564 -6.792 1.00 10.00 C ATOM 59 CG LEU A 80 -3.595 -7.547 -7.928 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.329 -7.854 -8.733 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.825 -7.589 -8.839 1.00 10.00 C ATOM 0 H LEU A 80 -1.546 -9.407 -6.424 1.00 10.00 H new ATOM 0 HA LEU A 80 -2.756 -7.113 -5.527 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -3.423 -9.543 -7.140 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -4.806 -8.654 -6.535 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.507 -6.547 -7.502 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.225 -7.127 -9.539 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.459 -7.798 -8.079 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.401 -8.856 -9.156 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.707 -6.863 -9.644 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.930 -8.588 -9.263 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.716 -7.346 -8.259 1.00 10.00 H new ATOM 73 N GLU A 81 -3.873 -9.792 -3.912 1.00 10.00 N ATOM 74 CA GLU A 81 -4.621 -10.163 -2.720 1.00 10.00 C ATOM 75 C GLU A 81 -3.899 -9.695 -1.456 1.00 10.00 C ATOM 76 O GLU A 81 -4.547 -9.150 -0.564 1.00 10.00 O ATOM 77 CB GLU A 81 -4.896 -11.674 -2.708 1.00 10.00 C ATOM 78 CG GLU A 81 -6.234 -11.989 -3.384 1.00 10.00 C ATOM 79 CD GLU A 81 -7.405 -11.547 -2.513 1.00 10.00 C ATOM 80 OE1 GLU A 81 -7.615 -12.214 -1.477 1.00 10.00 O ATOM 81 OE2 GLU A 81 -8.047 -10.544 -2.887 1.00 10.00 O ATOM 0 H GLU A 81 -3.456 -10.576 -4.414 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.586 -9.657 -2.738 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.091 -12.199 -3.223 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.908 -12.038 -1.681 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.285 -11.486 -4.350 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -6.304 -13.059 -3.578 1.00 10.00 H new ATOM 88 N ASP A 82 -2.567 -9.867 -1.402 1.00 10.00 N ATOM 89 CA ASP A 82 -1.734 -9.406 -0.283 1.00 10.00 C ATOM 90 C ASP A 82 -2.171 -7.995 0.056 1.00 10.00 C ATOM 91 O ASP A 82 -2.589 -7.657 1.159 1.00 10.00 O ATOM 92 CB ASP A 82 -0.240 -9.367 -0.677 1.00 10.00 C ATOM 93 CG ASP A 82 0.658 -9.767 0.480 1.00 10.00 C ATOM 94 OD1 ASP A 82 0.782 -8.940 1.406 1.00 10.00 O ATOM 95 OD2 ASP A 82 1.207 -10.885 0.399 1.00 10.00 O ATOM 0 H ASP A 82 -2.037 -10.333 -2.139 1.00 10.00 H new ATOM 0 HA ASP A 82 -1.852 -10.088 0.559 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.068 -10.037 -1.519 1.00 10.00 H new ATOM 0 HB3 ASP A 82 0.022 -8.363 -1.010 1.00 10.00 H new ATOM 100 N LEU A 83 -2.125 -7.201 -1.003 1.00 10.00 N ATOM 101 CA LEU A 83 -2.385 -5.795 -1.010 1.00 10.00 C ATOM 102 C LEU A 83 -3.835 -5.421 -0.793 1.00 10.00 C ATOM 103 O LEU A 83 -4.116 -4.542 0.001 1.00 10.00 O ATOM 104 CB LEU A 83 -1.865 -5.265 -2.308 1.00 10.00 C ATOM 105 CG LEU A 83 -0.335 -5.247 -2.264 1.00 10.00 C ATOM 106 CD1 LEU A 83 -0.005 -4.459 -3.498 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.344 -4.605 -1.046 1.00 10.00 C ATOM 0 H LEU A 83 -1.890 -7.556 -1.930 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.877 -5.343 -0.158 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -2.210 -5.887 -3.134 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -2.248 -4.260 -2.484 1.00 10.00 H new ATOM 0 HG LEU A 83 0.036 -6.270 -2.201 1.00 10.00 H new ATOM 0 HD11 LEU A 83 1.077 -4.367 -3.592 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -0.404 -4.971 -4.374 1.00 10.00 H new ATOM 0 HD13 LEU A 83 -0.448 -3.466 -3.425 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.426 -4.668 -1.158 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.047 -3.559 -0.973 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.041 -5.132 -0.141 1.00 10.00 H new ATOM 119 N GLN A 84 -4.777 -6.022 -1.500 1.00 10.00 N ATOM 120 CA GLN A 84 -6.159 -5.608 -1.370 1.00 10.00 C ATOM 121 C GLN A 84 -6.625 -5.886 0.058 1.00 10.00 C ATOM 122 O GLN A 84 -7.300 -5.044 0.648 1.00 10.00 O ATOM 123 CB GLN A 84 -6.996 -6.273 -2.469 1.00 10.00 C ATOM 124 CG GLN A 84 -8.347 -5.569 -2.651 1.00 10.00 C ATOM 125 CD GLN A 84 -8.808 -5.577 -4.106 1.00 10.00 C ATOM 126 OE1 GLN A 84 -9.781 -6.233 -4.460 1.00 10.00 O ATOM 127 NE2 GLN A 84 -8.118 -4.830 -4.966 1.00 10.00 N ATOM 0 H GLN A 84 -4.613 -6.784 -2.158 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.282 -4.536 -1.523 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.445 -6.254 -3.409 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.161 -7.321 -2.218 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -9.097 -6.060 -2.031 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.269 -4.539 -2.302 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.312 -4.294 -4.644 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -8.395 -4.794 -5.947 1.00 10.00 H new ATOM 136 N VAL A 85 -6.193 -7.003 0.657 1.00 10.00 N ATOM 137 CA VAL A 85 -6.372 -7.269 2.054 1.00 10.00 C ATOM 138 C VAL A 85 -5.571 -6.249 2.890 1.00 10.00 C ATOM 139 O VAL A 85 -6.130 -5.707 3.841 1.00 10.00 O ATOM 140 CB VAL A 85 -5.989 -8.738 2.270 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.241 -9.098 3.716 1.00 10.00 C ATOM 142 CG2 VAL A 85 -6.853 -9.694 1.426 1.00 10.00 C ATOM 0 H VAL A 85 -5.704 -7.747 0.160 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.401 -7.141 2.390 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.943 -8.844 1.983 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.973 -10.141 3.883 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.637 -8.460 4.361 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.296 -8.953 3.948 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.545 -10.723 1.612 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.901 -9.574 1.699 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -6.725 -9.463 0.369 1.00 10.00 H new ATOM 152 N ALA A 86 -4.303 -5.964 2.537 1.00 10.00 N ATOM 153 CA ALA A 86 -3.480 -4.913 3.153 1.00 10.00 C ATOM 154 C ALA A 86 -4.315 -3.641 3.310 1.00 10.00 C ATOM 155 O ALA A 86 -4.738 -3.269 4.402 1.00 10.00 O ATOM 156 CB ALA A 86 -2.164 -4.656 2.359 1.00 10.00 C ATOM 0 H ALA A 86 -3.814 -6.471 1.799 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.167 -5.250 4.141 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.589 -3.872 2.852 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.574 -5.572 2.326 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.407 -4.344 1.343 1.00 10.00 H new ATOM 162 N PHE A 87 -4.585 -3.010 2.179 1.00 10.00 N ATOM 163 CA PHE A 87 -5.454 -1.877 1.985 1.00 10.00 C ATOM 164 C PHE A 87 -6.714 -1.990 2.835 1.00 10.00 C ATOM 165 O PHE A 87 -6.918 -1.135 3.688 1.00 10.00 O ATOM 166 CB PHE A 87 -5.702 -1.779 0.472 1.00 10.00 C ATOM 167 CG PHE A 87 -4.442 -1.561 -0.371 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.295 -0.998 0.213 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.365 -1.986 -1.716 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.088 -0.982 -0.485 1.00 10.00 C ATOM 171 CE2 PHE A 87 -3.128 -1.980 -2.397 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.951 -1.648 -1.702 1.00 10.00 C ATOM 0 H PHE A 87 -4.161 -3.309 1.301 1.00 10.00 H new ATOM 0 HA PHE A 87 -5.004 -0.945 2.327 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.192 -2.694 0.138 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.395 -0.959 0.284 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.348 -0.576 1.206 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -5.257 -2.317 -2.226 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.245 -0.445 -0.076 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -3.086 -2.229 -3.447 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.978 -1.900 -2.096 1.00 10.00 H new ATOM 182 N ARG A 88 -7.506 -3.056 2.692 1.00 10.00 N ATOM 183 CA ARG A 88 -8.726 -3.249 3.476 1.00 10.00 C ATOM 184 C ARG A 88 -8.554 -3.093 4.995 1.00 10.00 C ATOM 185 O ARG A 88 -9.552 -2.876 5.681 1.00 10.00 O ATOM 186 CB ARG A 88 -9.381 -4.598 3.132 1.00 10.00 C ATOM 187 CG ARG A 88 -10.591 -4.409 2.206 1.00 10.00 C ATOM 188 CD ARG A 88 -11.863 -4.205 3.039 1.00 10.00 C ATOM 189 NE ARG A 88 -12.296 -5.485 3.624 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.342 -5.653 4.449 1.00 10.00 C ATOM 191 NH1 ARG A 88 -14.028 -4.591 4.879 1.00 10.00 N ATOM 192 NH2 ARG A 88 -13.694 -6.887 4.830 1.00 10.00 N ATOM 0 H ARG A 88 -7.319 -3.809 2.029 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.386 -2.432 3.185 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.650 -5.248 2.651 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.696 -5.096 4.049 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.431 -3.549 1.556 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.705 -5.280 1.561 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.676 -3.479 3.831 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -12.656 -3.796 2.412 1.00 10.00 H new ATOM 0 HE ARG A 88 -11.755 -6.315 3.382 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -13.757 -3.654 4.581 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.823 -4.717 5.506 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -13.168 -7.694 4.494 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -14.488 -7.020 5.457 1.00 10.00 H new ATOM 206 N ALA A 89 -7.338 -3.208 5.539 1.00 10.00 N ATOM 207 CA ALA A 89 -7.104 -2.899 6.941 1.00 10.00 C ATOM 208 C ALA A 89 -7.277 -1.404 7.237 1.00 10.00 C ATOM 209 O ALA A 89 -7.882 -1.063 8.252 1.00 10.00 O ATOM 210 CB ALA A 89 -5.727 -3.404 7.376 1.00 10.00 C ATOM 0 H ALA A 89 -6.509 -3.512 5.028 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.860 -3.421 7.528 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.567 -3.165 8.427 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.675 -4.484 7.237 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.956 -2.923 6.774 1.00 10.00 H new ATOM 216 N PHE A 90 -6.735 -0.514 6.396 1.00 10.00 N ATOM 217 CA PHE A 90 -6.842 0.933 6.601 1.00 10.00 C ATOM 218 C PHE A 90 -7.875 1.545 5.665 1.00 10.00 C ATOM 219 O PHE A 90 -8.786 2.234 6.116 1.00 10.00 O ATOM 220 CB PHE A 90 -5.479 1.555 6.358 1.00 10.00 C ATOM 221 CG PHE A 90 -4.604 1.566 7.580 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.075 0.357 8.051 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.446 2.746 8.325 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.446 0.312 9.299 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.747 2.714 9.539 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.307 1.486 10.062 1.00 10.00 C ATOM 0 H PHE A 90 -6.213 -0.776 5.560 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.169 1.129 7.622 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.974 1.007 5.563 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.612 2.578 6.005 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -4.153 -0.538 7.452 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.862 3.675 7.963 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -3.066 -0.625 9.678 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.547 3.632 10.072 1.00 10.00 H new ATOM 0 HZ PHE A 90 -2.864 1.444 11.046 1.00 10.00 H new ATOM 236 N ASP A 91 -7.684 1.310 4.369 1.00 10.00 N ATOM 237 CA ASP A 91 -8.529 1.744 3.273 1.00 10.00 C ATOM 238 C ASP A 91 -8.827 3.240 3.403 1.00 10.00 C ATOM 239 O ASP A 91 -9.980 3.663 3.379 1.00 10.00 O ATOM 240 CB ASP A 91 -9.768 0.836 3.263 1.00 10.00 C ATOM 241 CG ASP A 91 -10.544 0.857 1.955 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.890 1.032 0.904 1.00 10.00 O ATOM 243 OD2 ASP A 91 -11.766 0.602 2.020 1.00 10.00 O ATOM 0 H ASP A 91 -6.880 0.775 4.041 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.042 1.643 2.303 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -9.457 -0.188 3.472 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -10.433 1.138 4.072 1.00 10.00 H new ATOM 296 N GLY A 96 -9.919 5.767 -4.337 1.00 10.00 N ATOM 297 CA GLY A 96 -8.748 5.442 -5.130 1.00 10.00 C ATOM 298 C GLY A 96 -7.460 6.012 -4.544 1.00 10.00 C ATOM 299 O GLY A 96 -6.717 6.656 -5.273 1.00 10.00 O ATOM 0 HA2 GLY A 96 -8.658 4.359 -5.209 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -8.882 5.825 -6.142 1.00 10.00 H new ATOM 303 N HIS A 97 -7.153 5.747 -3.265 1.00 10.00 N ATOM 304 CA HIS A 97 -5.904 6.180 -2.635 1.00 10.00 C ATOM 305 C HIS A 97 -5.687 5.476 -1.282 1.00 10.00 C ATOM 306 O HIS A 97 -6.653 5.124 -0.605 1.00 10.00 O ATOM 307 CB HIS A 97 -5.855 7.725 -2.605 1.00 10.00 C ATOM 308 CG HIS A 97 -4.918 8.395 -1.631 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.301 9.303 -0.667 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.561 8.513 -1.771 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.195 9.913 -0.212 1.00 10.00 C ATOM 312 NE2 HIS A 97 -3.108 9.476 -0.865 1.00 10.00 N ATOM 0 H HIS A 97 -7.768 5.225 -2.640 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.043 5.868 -3.226 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.594 8.068 -3.606 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -6.863 8.085 -2.397 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -6.256 9.480 -0.355 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.946 7.957 -2.463 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -4.182 10.655 0.573 1.00 10.00 H new ATOM 320 N ILE A 98 -4.421 5.216 -0.922 1.00 10.00 N ATOM 321 CA ILE A 98 -3.987 4.826 0.424 1.00 10.00 C ATOM 322 C ILE A 98 -3.005 5.858 0.972 1.00 10.00 C ATOM 323 O ILE A 98 -2.492 6.672 0.208 1.00 10.00 O ATOM 324 CB ILE A 98 -3.289 3.445 0.447 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.273 3.143 -0.663 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.291 2.301 0.464 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.058 4.076 -0.685 1.00 10.00 C ATOM 0 H ILE A 98 -3.647 5.274 -1.584 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.887 4.770 1.037 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.718 3.517 1.373 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.925 2.116 -0.549 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.779 3.203 -1.627 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.758 1.350 0.480 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.918 2.380 1.352 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.916 2.351 -0.428 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.394 3.789 -1.500 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -1.391 5.103 -0.832 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.524 4.000 0.262 1.00 10.00 H new ATOM 339 N THR A 99 -2.655 5.764 2.259 1.00 10.00 N ATOM 340 CA THR A 99 -1.393 6.316 2.744 1.00 10.00 C ATOM 341 C THR A 99 -0.320 5.225 2.762 1.00 10.00 C ATOM 342 O THR A 99 -0.538 4.101 3.211 1.00 10.00 O ATOM 343 CB THR A 99 -1.481 7.173 4.022 1.00 10.00 C ATOM 344 OG1 THR A 99 -0.472 6.838 4.955 1.00 10.00 O ATOM 345 CG2 THR A 99 -2.842 7.160 4.697 1.00 10.00 C ATOM 0 H THR A 99 -3.225 5.314 2.976 1.00 10.00 H new ATOM 0 HA THR A 99 -1.082 7.073 2.024 1.00 10.00 H new ATOM 0 HB THR A 99 -1.321 8.193 3.672 1.00 10.00 H new ATOM 0 HG1 THR A 99 -0.561 7.404 5.750 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.813 7.789 5.587 1.00 10.00 H new ATOM 0 HG22 THR A 99 -3.594 7.543 4.007 1.00 10.00 H new ATOM 0 HG23 THR A 99 -3.097 6.139 4.982 1.00 10.00 H new ATOM 353 N VAL A 100 0.879 5.558 2.289 1.00 10.00 N ATOM 354 CA VAL A 100 2.050 4.718 2.496 1.00 10.00 C ATOM 355 C VAL A 100 2.230 4.355 3.981 1.00 10.00 C ATOM 356 O VAL A 100 2.739 3.286 4.326 1.00 10.00 O ATOM 357 CB VAL A 100 3.303 5.361 1.915 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.309 5.283 0.382 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.432 6.808 2.355 1.00 10.00 C ATOM 0 H VAL A 100 1.063 6.409 1.757 1.00 10.00 H new ATOM 0 HA VAL A 100 1.885 3.785 1.957 1.00 10.00 H new ATOM 0 HB VAL A 100 4.157 4.802 2.296 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.216 5.750 -0.003 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.279 4.239 0.071 1.00 10.00 H new ATOM 0 HG13 VAL A 100 2.437 5.805 -0.012 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.335 7.240 1.925 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.563 7.371 2.014 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.490 6.854 3.442 1.00 10.00 H new ATOM 369 N ASP A 101 1.848 5.283 4.860 1.00 10.00 N ATOM 370 CA ASP A 101 1.925 5.114 6.305 1.00 10.00 C ATOM 371 C ASP A 101 0.872 4.136 6.810 1.00 10.00 C ATOM 372 O ASP A 101 1.185 3.240 7.594 1.00 10.00 O ATOM 373 CB ASP A 101 1.888 6.475 7.015 1.00 10.00 C ATOM 374 CG ASP A 101 2.953 6.511 8.097 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.115 6.786 7.712 1.00 10.00 O ATOM 376 OD2 ASP A 101 2.637 6.166 9.253 1.00 10.00 O ATOM 0 H ASP A 101 1.470 6.188 4.579 1.00 10.00 H new ATOM 0 HA ASP A 101 2.886 4.663 6.553 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.057 7.277 6.296 1.00 10.00 H new ATOM 0 HB3 ASP A 101 0.904 6.642 7.453 1.00 10.00 H new ATOM 381 N GLU A 102 -0.355 4.266 6.288 1.00 10.00 N ATOM 382 CA GLU A 102 -1.377 3.225 6.395 1.00 10.00 C ATOM 383 C GLU A 102 -0.729 1.883 6.108 1.00 10.00 C ATOM 384 O GLU A 102 -0.738 0.989 6.942 1.00 10.00 O ATOM 385 CB GLU A 102 -2.542 3.497 5.422 1.00 10.00 C ATOM 386 CG GLU A 102 -2.946 2.353 4.473 1.00 10.00 C ATOM 387 CD GLU A 102 -4.200 2.720 3.696 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.322 3.924 3.387 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.013 1.813 3.427 1.00 10.00 O ATOM 0 H GLU A 102 -0.663 5.096 5.781 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.794 3.221 7.402 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -3.417 3.773 6.011 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.280 4.364 4.815 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -2.131 2.143 3.780 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.120 1.442 5.046 1.00 10.00 H new ATOM 396 N LEU A 103 -0.153 1.771 4.915 1.00 10.00 N ATOM 397 CA LEU A 103 0.297 0.537 4.308 1.00 10.00 C ATOM 398 C LEU A 103 1.259 -0.197 5.241 1.00 10.00 C ATOM 399 O LEU A 103 1.126 -1.397 5.493 1.00 10.00 O ATOM 400 CB LEU A 103 0.947 0.920 2.978 1.00 10.00 C ATOM 401 CG LEU A 103 0.189 0.411 1.747 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.699 1.276 0.580 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.574 -1.052 1.470 1.00 10.00 C ATOM 0 H LEU A 103 0.018 2.583 4.321 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.527 -0.154 4.130 1.00 10.00 H new ATOM 0 HB2 LEU A 103 1.024 2.006 2.922 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.963 0.527 2.955 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.891 0.469 1.882 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.202 0.973 -0.342 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.481 2.325 0.782 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.776 1.144 0.473 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.033 -1.411 0.594 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.646 -1.118 1.286 1.00 10.00 H new ATOM 0 HD23 LEU A 103 0.315 -1.666 2.333 1.00 10.00 H new ATOM 415 N ARG A 104 2.211 0.560 5.787 1.00 10.00 N ATOM 416 CA ARG A 104 3.150 0.077 6.790 1.00 10.00 C ATOM 417 C ARG A 104 2.419 -0.623 7.950 1.00 10.00 C ATOM 418 O ARG A 104 2.868 -1.667 8.418 1.00 10.00 O ATOM 419 CB ARG A 104 4.035 1.249 7.256 1.00 10.00 C ATOM 420 CG ARG A 104 5.533 0.897 7.210 1.00 10.00 C ATOM 421 CD ARG A 104 6.448 2.120 7.384 1.00 10.00 C ATOM 422 NE ARG A 104 6.140 3.205 6.421 1.00 10.00 N ATOM 423 CZ ARG A 104 5.749 4.444 6.769 1.00 10.00 C ATOM 424 NH1 ARG A 104 5.857 4.885 8.024 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.202 5.267 5.873 1.00 10.00 N ATOM 0 H ARG A 104 2.350 1.539 5.539 1.00 10.00 H new ATOM 0 HA ARG A 104 3.799 -0.682 6.353 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.848 2.118 6.625 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.760 1.529 8.273 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.753 0.172 7.993 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.758 0.416 6.258 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.348 2.502 8.400 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.486 1.813 7.259 1.00 10.00 H new ATOM 0 HE ARG A 104 6.231 2.997 5.427 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.244 4.278 8.746 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.553 5.829 8.261 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.075 4.960 4.909 1.00 10.00 H new ATOM 0 HH22 ARG A 104 4.910 6.204 6.152 1.00 10.00 H new ATOM 439 N ARG A 105 1.293 -0.066 8.412 1.00 10.00 N ATOM 440 CA ARG A 105 0.485 -0.671 9.468 1.00 10.00 C ATOM 441 C ARG A 105 -0.460 -1.763 8.956 1.00 10.00 C ATOM 442 O ARG A 105 -0.639 -2.780 9.624 1.00 10.00 O ATOM 443 CB ARG A 105 -0.253 0.384 10.302 1.00 10.00 C ATOM 444 CG ARG A 105 0.560 0.920 11.486 1.00 10.00 C ATOM 445 CD ARG A 105 1.580 1.998 11.100 1.00 10.00 C ATOM 446 NE ARG A 105 2.581 2.197 12.165 1.00 10.00 N ATOM 447 CZ ARG A 105 2.337 2.674 13.397 1.00 10.00 C ATOM 448 NH1 ARG A 105 1.130 3.164 13.700 1.00 10.00 N ATOM 449 NH2 ARG A 105 3.299 2.645 14.327 1.00 10.00 N ATOM 0 H ARG A 105 0.920 0.816 8.062 1.00 10.00 H new ATOM 0 HA ARG A 105 1.189 -1.174 10.131 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.527 1.217 9.655 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.181 -0.047 10.677 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -0.125 1.330 12.229 1.00 10.00 H new ATOM 0 HG3 ARG A 105 1.084 0.090 11.960 1.00 10.00 H new ATOM 0 HD2 ARG A 105 2.082 1.712 10.176 1.00 10.00 H new ATOM 0 HD3 ARG A 105 1.063 2.937 10.904 1.00 10.00 H new ATOM 0 HE ARG A 105 3.546 1.950 11.946 1.00 10.00 H new ATOM 0 HH11 ARG A 105 0.393 3.176 12.995 1.00 10.00 H new ATOM 0 HH12 ARG A 105 0.947 3.526 14.636 1.00 10.00 H new ATOM 0 HH21 ARG A 105 4.216 2.261 14.100 1.00 10.00 H new ATOM 0 HH22 ARG A 105 3.115 3.007 15.263 1.00 10.00 H new ATOM 463 N ALA A 106 -1.070 -1.586 7.787 1.00 10.00 N ATOM 464 CA ALA A 106 -1.899 -2.591 7.139 1.00 10.00 C ATOM 465 C ALA A 106 -1.193 -3.942 7.143 1.00 10.00 C ATOM 466 O ALA A 106 -1.775 -4.967 7.493 1.00 10.00 O ATOM 467 CB ALA A 106 -2.174 -2.163 5.700 1.00 10.00 C ATOM 0 H ALA A 106 -0.998 -0.719 7.254 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.838 -2.684 7.684 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.795 -2.913 5.210 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.693 -1.205 5.698 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.231 -2.066 5.163 1.00 10.00 H new ATOM 473 N MET A 107 0.088 -3.925 6.782 1.00 10.00 N ATOM 474 CA MET A 107 0.909 -5.120 6.784 1.00 10.00 C ATOM 475 C MET A 107 1.023 -5.758 8.177 1.00 10.00 C ATOM 476 O MET A 107 1.048 -6.983 8.307 1.00 10.00 O ATOM 477 CB MET A 107 2.256 -4.784 6.147 1.00 10.00 C ATOM 478 CG MET A 107 2.090 -4.609 4.636 1.00 10.00 C ATOM 479 SD MET A 107 1.859 -6.184 3.772 1.00 10.00 S ATOM 480 CE MET A 107 1.558 -5.595 2.098 1.00 10.00 C ATOM 0 H MET A 107 0.579 -3.083 6.482 1.00 10.00 H new ATOM 0 HA MET A 107 0.430 -5.893 6.184 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.657 -3.870 6.585 1.00 10.00 H new ATOM 0 HB3 MET A 107 2.973 -5.578 6.353 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.234 -3.963 4.441 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.968 -4.104 4.234 1.00 10.00 H new ATOM 0 HE1 MET A 107 1.413 -6.447 1.433 1.00 10.00 H new ATOM 0 HE2 MET A 107 0.665 -4.970 2.087 1.00 10.00 H new ATOM 0 HE3 MET A 107 2.413 -5.011 1.758 1.00 10.00 H new ATOM 490 N ALA A 108 1.040 -4.941 9.234 1.00 10.00 N ATOM 491 CA ALA A 108 0.950 -5.444 10.598 1.00 10.00 C ATOM 492 C ALA A 108 -0.384 -6.159 10.794 1.00 10.00 C ATOM 493 O ALA A 108 -0.422 -7.261 11.333 1.00 10.00 O ATOM 494 CB ALA A 108 1.111 -4.302 11.604 1.00 10.00 C ATOM 0 H ALA A 108 1.116 -3.926 9.166 1.00 10.00 H new ATOM 0 HA ALA A 108 1.758 -6.156 10.770 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.041 -4.697 12.617 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.083 -3.829 11.465 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.324 -3.565 11.447 1.00 10.00 H new ATOM 500 N GLY A 109 -1.470 -5.534 10.329 1.00 10.00 N ATOM 501 CA GLY A 109 -2.797 -6.136 10.302 1.00 10.00 C ATOM 502 C GLY A 109 -2.775 -7.511 9.628 1.00 10.00 C ATOM 503 O GLY A 109 -3.319 -8.472 10.166 1.00 10.00 O ATOM 0 H GLY A 109 -1.447 -4.584 9.957 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -3.174 -6.234 11.320 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.485 -5.479 9.769 1.00 10.00 H new ATOM 507 N LEU A 110 -2.139 -7.604 8.455 1.00 10.00 N ATOM 508 CA LEU A 110 -1.917 -8.872 7.760 1.00 10.00 C ATOM 509 C LEU A 110 -1.197 -9.870 8.665 1.00 10.00 C ATOM 510 O LEU A 110 -1.621 -11.017 8.787 1.00 10.00 O ATOM 511 CB LEU A 110 -1.106 -8.645 6.470 1.00 10.00 C ATOM 512 CG LEU A 110 -1.879 -9.000 5.193 1.00 10.00 C ATOM 513 CD1 LEU A 110 -3.095 -8.089 5.039 1.00 10.00 C ATOM 514 CD2 LEU A 110 -0.973 -8.808 3.972 1.00 10.00 C ATOM 0 H LEU A 110 -1.762 -6.795 7.960 1.00 10.00 H new ATOM 0 HA LEU A 110 -2.890 -9.287 7.495 1.00 10.00 H new ATOM 0 HB2 LEU A 110 -0.800 -7.600 6.422 1.00 10.00 H new ATOM 0 HB3 LEU A 110 -0.195 -9.243 6.512 1.00 10.00 H new ATOM 0 HG LEU A 110 -2.204 -10.038 5.264 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -3.634 -8.352 4.129 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -3.753 -8.212 5.899 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -2.767 -7.051 4.979 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.524 -9.061 3.066 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.647 -7.769 3.920 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -0.102 -9.457 4.060 1.00 10.00 H new ATOM 526 N GLY A 111 -0.090 -9.440 9.274 1.00 10.00 N ATOM 527 CA GLY A 111 0.667 -10.233 10.221 1.00 10.00 C ATOM 528 C GLY A 111 2.160 -9.951 10.106 1.00 10.00 C ATOM 529 O GLY A 111 2.855 -9.877 11.116 1.00 10.00 O ATOM 0 H GLY A 111 0.305 -8.513 9.114 1.00 10.00 H new ATOM 0 HA2 GLY A 111 0.330 -10.014 11.234 1.00 10.00 H new ATOM 0 HA3 GLY A 111 0.480 -11.292 10.044 1.00 10.00 H new ATOM 533 N GLN A 112 2.653 -9.794 8.875 1.00 10.00 N ATOM 534 CA GLN A 112 4.045 -9.473 8.592 1.00 10.00 C ATOM 535 C GLN A 112 4.177 -7.987 8.234 1.00 10.00 C ATOM 536 O GLN A 112 4.056 -7.646 7.058 1.00 10.00 O ATOM 537 CB GLN A 112 4.596 -10.399 7.492 1.00 10.00 C ATOM 538 CG GLN A 112 3.766 -10.472 6.196 1.00 10.00 C ATOM 539 CD GLN A 112 4.622 -10.176 4.969 1.00 10.00 C ATOM 540 OE1 GLN A 112 5.009 -11.079 4.238 1.00 10.00 O ATOM 541 NE2 GLN A 112 4.936 -8.905 4.754 1.00 10.00 N ATOM 0 H GLN A 112 2.082 -9.889 8.035 1.00 10.00 H new ATOM 0 HA GLN A 112 4.650 -9.646 9.482 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.603 -10.069 7.237 1.00 10.00 H new ATOM 0 HB3 GLN A 112 4.684 -11.405 7.901 1.00 10.00 H new ATOM 0 HG2 GLN A 112 3.323 -11.463 6.102 1.00 10.00 H new ATOM 0 HG3 GLN A 112 2.944 -9.759 6.248 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.594 -8.181 5.386 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.519 -8.652 3.957 1.00 10.00 H new ATOM 550 N PRO A 113 4.429 -7.082 9.198 1.00 10.00 N ATOM 551 CA PRO A 113 4.622 -5.675 8.895 1.00 10.00 C ATOM 552 C PRO A 113 5.885 -5.499 8.054 1.00 10.00 C ATOM 553 O PRO A 113 6.989 -5.583 8.587 1.00 10.00 O ATOM 554 CB PRO A 113 4.727 -4.963 10.245 1.00 10.00 C ATOM 555 CG PRO A 113 5.235 -6.050 11.189 1.00 10.00 C ATOM 556 CD PRO A 113 4.616 -7.327 10.621 1.00 10.00 C ATOM 0 HA PRO A 113 3.801 -5.257 8.313 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.415 -4.118 10.200 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.762 -4.572 10.567 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.324 -6.100 11.196 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.917 -5.871 12.216 1.00 10.00 H new ATOM 0 HD2 PRO A 113 5.268 -8.184 10.787 1.00 10.00 H new ATOM 0 HD3 PRO A 113 3.666 -7.550 11.107 1.00 10.00 H new ATOM 564 N LEU A 114 5.724 -5.243 6.751 1.00 10.00 N ATOM 565 CA LEU A 114 6.819 -4.866 5.871 1.00 10.00 C ATOM 566 C LEU A 114 7.603 -3.725 6.538 1.00 10.00 C ATOM 567 O LEU A 114 7.032 -2.651 6.743 1.00 10.00 O ATOM 568 CB LEU A 114 6.266 -4.397 4.515 1.00 10.00 C ATOM 569 CG LEU A 114 5.676 -5.491 3.611 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.183 -4.836 2.313 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.699 -6.559 3.215 1.00 10.00 C ATOM 0 H LEU A 114 4.820 -5.294 6.281 1.00 10.00 H new ATOM 0 HA LEU A 114 7.473 -5.721 5.700 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.493 -3.650 4.699 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.068 -3.898 3.971 1.00 10.00 H new ATOM 0 HG LEU A 114 4.877 -5.973 4.175 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.761 -5.598 1.658 1.00 10.00 H new ATOM 0 HD12 LEU A 114 4.419 -4.095 2.547 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.019 -4.349 1.811 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.221 -7.302 2.577 1.00 10.00 H new ATOM 0 HD22 LEU A 114 7.522 -6.092 2.674 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.084 -7.044 4.112 1.00 10.00 H new ATOM 583 N PRO A 115 8.872 -3.939 6.920 1.00 10.00 N ATOM 584 CA PRO A 115 9.663 -2.924 7.585 1.00 10.00 C ATOM 585 C PRO A 115 10.004 -1.818 6.591 1.00 10.00 C ATOM 586 O PRO A 115 9.679 -1.918 5.404 1.00 10.00 O ATOM 587 CB PRO A 115 10.908 -3.651 8.099 1.00 10.00 C ATOM 588 CG PRO A 115 11.099 -4.764 7.071 1.00 10.00 C ATOM 589 CD PRO A 115 9.664 -5.136 6.696 1.00 10.00 C ATOM 0 HA PRO A 115 9.139 -2.443 8.411 1.00 10.00 H new ATOM 0 HB2 PRO A 115 11.773 -2.989 8.144 1.00 10.00 H new ATOM 0 HB3 PRO A 115 10.758 -4.049 9.103 1.00 10.00 H new ATOM 0 HG2 PRO A 115 11.666 -4.421 6.206 1.00 10.00 H new ATOM 0 HG3 PRO A 115 11.639 -5.613 7.491 1.00 10.00 H new ATOM 0 HD2 PRO A 115 9.602 -5.456 5.656 1.00 10.00 H new ATOM 0 HD3 PRO A 115 9.303 -5.964 7.306 1.00 10.00 H new ATOM 597 N GLN A 116 10.665 -0.769 7.095 1.00 10.00 N ATOM 598 CA GLN A 116 11.050 0.399 6.328 1.00 10.00 C ATOM 599 C GLN A 116 11.585 -0.009 4.959 1.00 10.00 C ATOM 600 O GLN A 116 10.869 0.162 3.996 1.00 10.00 O ATOM 601 CB GLN A 116 12.027 1.261 7.138 1.00 10.00 C ATOM 602 CG GLN A 116 11.301 2.146 8.164 1.00 10.00 C ATOM 603 CD GLN A 116 10.369 3.215 7.576 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.438 3.653 8.249 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.570 3.657 6.338 1.00 10.00 N ATOM 0 H GLN A 116 10.949 -0.718 8.073 1.00 10.00 H new ATOM 0 HA GLN A 116 10.175 1.019 6.134 1.00 10.00 H new ATOM 0 HB2 GLN A 116 12.737 0.615 7.655 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.603 1.890 6.460 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.717 1.503 8.823 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.049 2.642 8.783 1.00 10.00 H new ATOM 0 HE21 GLN A 116 11.344 3.290 5.785 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.950 4.363 5.942 1.00 10.00 H new ATOM 614 N GLU A 117 12.750 -0.633 4.836 1.00 10.00 N ATOM 615 CA GLU A 117 13.347 -0.975 3.545 1.00 10.00 C ATOM 616 C GLU A 117 12.397 -1.631 2.535 1.00 10.00 C ATOM 617 O GLU A 117 12.567 -1.414 1.335 1.00 10.00 O ATOM 618 CB GLU A 117 14.613 -1.803 3.783 1.00 10.00 C ATOM 619 CG GLU A 117 15.572 -1.042 4.714 1.00 10.00 C ATOM 620 CD GLU A 117 15.504 -1.531 6.161 1.00 10.00 C ATOM 621 OE1 GLU A 117 14.466 -1.255 6.805 1.00 10.00 O ATOM 622 OE2 GLU A 117 16.478 -2.185 6.589 1.00 10.00 O ATOM 0 H GLU A 117 13.315 -0.920 5.636 1.00 10.00 H new ATOM 0 HA GLU A 117 13.604 -0.034 3.059 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.351 -2.764 4.225 1.00 10.00 H new ATOM 0 HB3 GLU A 117 15.105 -2.012 2.833 1.00 10.00 H new ATOM 0 HG2 GLU A 117 16.592 -1.151 4.346 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.334 0.021 4.683 1.00 10.00 H new ATOM 629 N GLU A 118 11.386 -2.386 2.975 1.00 10.00 N ATOM 630 CA GLU A 118 10.394 -2.904 2.049 1.00 10.00 C ATOM 631 C GLU A 118 9.370 -1.810 1.728 1.00 10.00 C ATOM 632 O GLU A 118 9.128 -1.502 0.559 1.00 10.00 O ATOM 633 CB GLU A 118 9.769 -4.188 2.601 1.00 10.00 C ATOM 634 CG GLU A 118 10.840 -5.271 2.796 1.00 10.00 C ATOM 635 CD GLU A 118 10.228 -6.661 2.925 1.00 10.00 C ATOM 636 OE1 GLU A 118 9.784 -7.176 1.877 1.00 10.00 O ATOM 637 OE2 GLU A 118 10.201 -7.175 4.063 1.00 10.00 O ATOM 0 H GLU A 118 11.240 -2.645 3.951 1.00 10.00 H new ATOM 0 HA GLU A 118 10.865 -3.181 1.106 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.277 -3.980 3.551 1.00 10.00 H new ATOM 0 HB3 GLU A 118 9.001 -4.548 1.917 1.00 10.00 H new ATOM 0 HG2 GLU A 118 11.530 -5.255 1.952 1.00 10.00 H new ATOM 0 HG3 GLU A 118 11.424 -5.047 3.689 1.00 10.00 H new ATOM 644 N LEU A 119 8.766 -1.190 2.747 1.00 10.00 N ATOM 645 CA LEU A 119 7.759 -0.173 2.480 1.00 10.00 C ATOM 646 C LEU A 119 8.361 1.051 1.769 1.00 10.00 C ATOM 647 O LEU A 119 7.724 1.554 0.869 1.00 10.00 O ATOM 648 CB LEU A 119 6.909 0.181 3.710 1.00 10.00 C ATOM 649 CG LEU A 119 5.382 0.265 3.420 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.971 1.094 2.196 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.749 -1.124 3.293 1.00 10.00 C ATOM 0 H LEU A 119 8.953 -1.370 3.733 1.00 10.00 H new ATOM 0 HA LEU A 119 7.048 -0.612 1.780 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.081 -0.566 4.485 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.246 1.138 4.109 1.00 10.00 H new ATOM 0 HG LEU A 119 5.004 0.795 4.295 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.886 1.080 2.095 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.310 2.122 2.322 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.425 0.670 1.300 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.683 -1.021 3.091 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.223 -1.666 2.475 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.890 -1.675 4.223 1.00 10.00 H new ATOM 663 N ASP A 120 9.561 1.523 2.119 1.00 10.00 N ATOM 664 CA ASP A 120 10.411 2.489 1.415 1.00 10.00 C ATOM 665 C ASP A 120 10.457 2.189 -0.077 1.00 10.00 C ATOM 666 O ASP A 120 10.157 3.037 -0.919 1.00 10.00 O ATOM 667 CB ASP A 120 11.845 2.464 1.963 1.00 10.00 C ATOM 668 CG ASP A 120 12.013 3.380 3.164 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.058 4.606 2.932 1.00 10.00 O ATOM 670 OD2 ASP A 120 12.078 2.854 4.295 1.00 10.00 O ATOM 0 H ASP A 120 10.004 1.209 2.983 1.00 10.00 H new ATOM 0 HA ASP A 120 9.976 3.475 1.577 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.107 1.444 2.246 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.538 2.765 1.178 1.00 10.00 H new ATOM 675 N ALA A 121 10.853 0.961 -0.401 1.00 10.00 N ATOM 676 CA ALA A 121 10.908 0.502 -1.773 1.00 10.00 C ATOM 677 C ALA A 121 9.536 0.711 -2.431 1.00 10.00 C ATOM 678 O ALA A 121 9.431 1.348 -3.480 1.00 10.00 O ATOM 679 CB ALA A 121 11.408 -0.945 -1.775 1.00 10.00 C ATOM 0 H ALA A 121 11.143 0.263 0.283 1.00 10.00 H new ATOM 0 HA ALA A 121 11.612 1.075 -2.376 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.457 -1.312 -2.800 1.00 10.00 H new ATOM 0 HB2 ALA A 121 12.400 -0.988 -1.326 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.723 -1.568 -1.200 1.00 10.00 H new ATOM 685 N MET A 122 8.467 0.262 -1.764 1.00 10.00 N ATOM 686 CA MET A 122 7.108 0.514 -2.201 1.00 10.00 C ATOM 687 C MET A 122 6.715 2.003 -2.151 1.00 10.00 C ATOM 688 O MET A 122 5.866 2.398 -2.933 1.00 10.00 O ATOM 689 CB MET A 122 6.143 -0.353 -1.386 1.00 10.00 C ATOM 690 CG MET A 122 5.954 -1.761 -1.962 1.00 10.00 C ATOM 691 SD MET A 122 7.340 -2.905 -1.753 1.00 10.00 S ATOM 692 CE MET A 122 6.655 -4.357 -2.579 1.00 10.00 C ATOM 0 H MET A 122 8.530 -0.286 -0.906 1.00 10.00 H new ATOM 0 HA MET A 122 7.044 0.238 -3.254 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.513 -0.433 -0.364 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.174 0.144 -1.336 1.00 10.00 H new ATOM 0 HG2 MET A 122 5.072 -2.204 -1.500 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.744 -1.669 -3.028 1.00 10.00 H new ATOM 0 HE1 MET A 122 7.380 -5.170 -2.546 1.00 10.00 H new ATOM 0 HE2 MET A 122 5.740 -4.666 -2.073 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.430 -4.113 -3.617 1.00 10.00 H new ATOM 702 N ILE A 123 7.284 2.837 -1.275 1.00 10.00 N ATOM 703 CA ILE A 123 6.965 4.255 -1.113 1.00 10.00 C ATOM 704 C ILE A 123 7.406 4.954 -2.386 1.00 10.00 C ATOM 705 O ILE A 123 6.663 5.742 -2.963 1.00 10.00 O ATOM 706 CB ILE A 123 7.651 4.872 0.133 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.776 4.663 1.373 1.00 10.00 C ATOM 708 CG2 ILE A 123 7.914 6.382 -0.015 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.536 4.689 2.704 1.00 10.00 C ATOM 0 H ILE A 123 8.012 2.526 -0.632 1.00 10.00 H new ATOM 0 HA ILE A 123 5.895 4.380 -0.949 1.00 10.00 H new ATOM 0 HB ILE A 123 8.610 4.364 0.236 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.008 5.436 1.394 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.263 3.706 1.282 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.396 6.758 0.888 1.00 10.00 H new ATOM 0 HG22 ILE A 123 8.564 6.556 -0.872 1.00 10.00 H new ATOM 0 HG23 ILE A 123 6.968 6.903 -0.165 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.837 4.533 3.525 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.286 3.898 2.710 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.027 5.655 2.824 1.00 10.00 H new ATOM 721 N ARG A 124 8.638 4.663 -2.806 1.00 10.00 N ATOM 722 CA ARG A 124 9.224 5.296 -3.973 1.00 10.00 C ATOM 723 C ARG A 124 8.453 4.901 -5.235 1.00 10.00 C ATOM 724 O ARG A 124 8.268 5.726 -6.124 1.00 10.00 O ATOM 725 CB ARG A 124 10.719 4.961 -4.035 1.00 10.00 C ATOM 726 CG ARG A 124 11.525 6.128 -4.622 1.00 10.00 C ATOM 727 CD ARG A 124 13.010 5.961 -4.290 1.00 10.00 C ATOM 728 NE ARG A 124 13.554 4.736 -4.899 1.00 10.00 N ATOM 729 CZ ARG A 124 14.561 3.989 -4.417 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.165 4.318 -3.269 1.00 10.00 N ATOM 731 NH2 ARG A 124 14.966 2.911 -5.097 1.00 10.00 N ATOM 0 H ARG A 124 9.248 3.987 -2.347 1.00 10.00 H new ATOM 0 HA ARG A 124 9.144 6.381 -3.901 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.084 4.730 -3.034 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.870 4.069 -4.643 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.388 6.167 -5.703 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.158 7.072 -4.220 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.566 6.827 -4.649 1.00 10.00 H new ATOM 0 HD3 ARG A 124 13.142 5.923 -3.209 1.00 10.00 H new ATOM 0 HE ARG A 124 13.125 4.425 -5.771 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.862 5.143 -2.751 1.00 10.00 H new ATOM 0 HH12 ARG A 124 15.929 3.744 -2.912 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.511 2.661 -5.975 1.00 10.00 H new ATOM 0 HH22 ARG A 124 15.730 2.339 -4.738 1.00 10.00 H new ATOM 745 N GLU A 125 7.973 3.654 -5.292 1.00 10.00 N ATOM 746 CA GLU A 125 7.001 3.240 -6.296 1.00 10.00 C ATOM 747 C GLU A 125 5.704 4.042 -6.118 1.00 10.00 C ATOM 748 O GLU A 125 5.126 4.550 -7.078 1.00 10.00 O ATOM 749 CB GLU A 125 6.745 1.728 -6.161 1.00 10.00 C ATOM 750 CG GLU A 125 6.155 1.100 -7.435 1.00 10.00 C ATOM 751 CD GLU A 125 7.177 0.904 -8.553 1.00 10.00 C ATOM 752 OE1 GLU A 125 8.384 1.083 -8.283 1.00 10.00 O ATOM 753 OE2 GLU A 125 6.724 0.546 -9.661 1.00 10.00 O ATOM 0 H GLU A 125 8.248 2.913 -4.647 1.00 10.00 H new ATOM 0 HA GLU A 125 7.387 3.437 -7.296 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.682 1.227 -5.917 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.064 1.554 -5.328 1.00 10.00 H new ATOM 0 HG2 GLU A 125 5.715 0.135 -7.184 1.00 10.00 H new ATOM 0 HG3 GLU A 125 5.347 1.733 -7.801 1.00 10.00 H new ATOM 760 N ALA A 126 5.228 4.135 -4.874 1.00 10.00 N ATOM 761 CA ALA A 126 3.898 4.603 -4.532 1.00 10.00 C ATOM 762 C ALA A 126 3.783 6.130 -4.537 1.00 10.00 C ATOM 763 O ALA A 126 3.251 6.709 -3.588 1.00 10.00 O ATOM 764 CB ALA A 126 3.418 4.000 -3.198 1.00 10.00 C ATOM 0 H ALA A 126 5.781 3.877 -4.057 1.00 10.00 H new ATOM 0 HA ALA A 126 3.233 4.248 -5.319 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.418 4.370 -2.970 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.393 2.913 -3.278 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.103 4.289 -2.401 1.00 10.00 H new ATOM 770 N ASP A 127 4.203 6.772 -5.632 1.00 10.00 N ATOM 771 CA ASP A 127 3.862 8.160 -5.915 1.00 10.00 C ATOM 772 C ASP A 127 3.269 8.227 -7.319 1.00 10.00 C ATOM 773 O ASP A 127 3.953 8.544 -8.288 1.00 10.00 O ATOM 774 CB ASP A 127 5.069 9.094 -5.749 1.00 10.00 C ATOM 775 CG ASP A 127 4.670 10.567 -5.821 1.00 10.00 C ATOM 776 OD1 ASP A 127 3.541 10.896 -5.380 1.00 10.00 O ATOM 777 OD2 ASP A 127 5.526 11.389 -6.215 1.00 10.00 O ATOM 0 H ASP A 127 4.790 6.338 -6.345 1.00 10.00 H new ATOM 0 HA ASP A 127 3.124 8.511 -5.193 1.00 10.00 H new ATOM 0 HB2 ASP A 127 5.551 8.896 -4.792 1.00 10.00 H new ATOM 0 HB3 ASP A 127 5.803 8.879 -6.526 1.00 10.00 H new ATOM 782 N VAL A 128 1.985 7.882 -7.428 1.00 10.00 N ATOM 783 CA VAL A 128 1.224 8.076 -8.652 1.00 10.00 C ATOM 784 C VAL A 128 1.144 9.576 -8.964 1.00 10.00 C ATOM 785 O VAL A 128 1.216 9.976 -10.124 1.00 10.00 O ATOM 786 CB VAL A 128 -0.170 7.430 -8.551 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.110 7.925 -9.657 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.031 5.909 -8.693 1.00 10.00 C ATOM 0 H VAL A 128 1.449 7.461 -6.669 1.00 10.00 H new ATOM 0 HA VAL A 128 1.733 7.578 -9.477 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.591 7.704 -7.584 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.083 7.445 -9.550 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.228 9.006 -9.578 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.688 7.677 -10.631 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.015 5.446 -8.622 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.413 5.673 -9.660 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.608 5.526 -7.897 1.00 10.00 H new ATOM 798 N ASP A 129 0.928 10.379 -7.917 1.00 10.00 N ATOM 799 CA ASP A 129 0.705 11.819 -7.996 1.00 10.00 C ATOM 800 C ASP A 129 2.053 12.558 -7.947 1.00 10.00 C ATOM 801 O ASP A 129 2.886 12.331 -8.823 1.00 10.00 O ATOM 802 CB ASP A 129 -0.256 12.171 -6.861 1.00 10.00 C ATOM 803 CG ASP A 129 -0.623 13.638 -6.791 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.357 14.116 -7.677 1.00 10.00 O ATOM 805 OD2 ASP A 129 -0.158 14.247 -5.802 1.00 10.00 O ATOM 0 H ASP A 129 0.904 10.028 -6.960 1.00 10.00 H new ATOM 0 HA ASP A 129 0.251 12.132 -8.936 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.168 11.585 -6.977 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.195 11.875 -5.914 1.00 10.00 H new ATOM 810 N GLN A 130 2.296 13.435 -6.962 1.00 10.00 N ATOM 811 CA GLN A 130 3.601 14.056 -6.785 1.00 10.00 C ATOM 812 C GLN A 130 3.820 14.459 -5.323 1.00 10.00 C ATOM 813 O GLN A 130 3.803 15.644 -4.993 1.00 10.00 O ATOM 814 CB GLN A 130 3.779 15.230 -7.763 1.00 10.00 C ATOM 815 CG GLN A 130 5.244 15.682 -7.864 1.00 10.00 C ATOM 816 CD GLN A 130 6.078 14.825 -8.819 1.00 10.00 C ATOM 817 OE1 GLN A 130 6.456 13.604 -8.440 1.00 10.00 O flip ATOM 818 NE2 GLN A 130 6.410 15.276 -9.911 1.00 10.00 N flip ATOM 0 H GLN A 130 1.598 13.726 -6.278 1.00 10.00 H new ATOM 0 HA GLN A 130 4.376 13.327 -7.024 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.422 14.936 -8.750 1.00 10.00 H new ATOM 0 HB3 GLN A 130 3.163 16.068 -7.438 1.00 10.00 H new ATOM 0 HG2 GLN A 130 5.275 16.719 -8.197 1.00 10.00 H new ATOM 0 HG3 GLN A 130 5.695 15.652 -6.872 1.00 10.00 H new ATOM 0 HE21 GLN A 130 6.113 16.212 -10.188 1.00 10.00 H new ATOM 0 HE22 GLN A 130 6.982 14.715 -10.542 1.00 10.00 H new ATOM 827 N ASP A 131 4.025 13.468 -4.453 1.00 10.00 N ATOM 828 CA ASP A 131 4.162 13.646 -3.000 1.00 10.00 C ATOM 829 C ASP A 131 4.551 12.307 -2.358 1.00 10.00 C ATOM 830 O ASP A 131 5.365 12.248 -1.440 1.00 10.00 O ATOM 831 CB ASP A 131 2.809 14.088 -2.401 1.00 10.00 C ATOM 832 CG ASP A 131 2.769 15.251 -1.420 1.00 10.00 C ATOM 833 OD1 ASP A 131 3.830 15.820 -1.095 1.00 10.00 O ATOM 834 OD2 ASP A 131 1.619 15.519 -0.982 1.00 10.00 O ATOM 0 H ASP A 131 4.103 12.493 -4.744 1.00 10.00 H new ATOM 0 HA ASP A 131 4.925 14.400 -2.806 1.00 10.00 H new ATOM 0 HB2 ASP A 131 2.150 14.339 -3.232 1.00 10.00 H new ATOM 0 HB3 ASP A 131 2.375 13.223 -1.900 1.00 10.00 H new ATOM 839 N GLY A 132 3.862 11.247 -2.794 1.00 10.00 N ATOM 840 CA GLY A 132 3.782 9.933 -2.182 1.00 10.00 C ATOM 841 C GLY A 132 2.313 9.520 -2.030 1.00 10.00 C ATOM 842 O GLY A 132 1.942 8.968 -0.996 1.00 10.00 O ATOM 0 H GLY A 132 3.307 11.298 -3.648 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.313 9.204 -2.794 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.269 9.946 -1.207 1.00 10.00 H new ATOM 846 N ARG A 133 1.471 9.802 -3.039 1.00 10.00 N ATOM 847 CA ARG A 133 0.087 9.324 -3.087 1.00 10.00 C ATOM 848 C ARG A 133 0.047 8.272 -4.176 1.00 10.00 C ATOM 849 O ARG A 133 0.494 8.542 -5.288 1.00 10.00 O ATOM 850 CB ARG A 133 -0.955 10.389 -3.479 1.00 10.00 C ATOM 851 CG ARG A 133 -1.119 11.605 -2.567 1.00 10.00 C ATOM 852 CD ARG A 133 0.025 12.579 -2.819 1.00 10.00 C ATOM 853 NE ARG A 133 -0.142 13.866 -2.133 1.00 10.00 N ATOM 854 CZ ARG A 133 -0.860 14.915 -2.548 1.00 10.00 C ATOM 855 NH1 ARG A 133 -1.564 14.878 -3.682 1.00 10.00 N ATOM 856 NH2 ARG A 133 -0.819 16.018 -1.802 1.00 10.00 N ATOM 0 H ARG A 133 1.736 10.370 -3.844 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.171 8.980 -2.085 1.00 10.00 H new ATOM 0 HB2 ARG A 133 -0.703 10.751 -4.476 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.924 9.896 -3.555 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -2.075 12.092 -2.758 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -1.123 11.293 -1.523 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.960 12.122 -2.495 1.00 10.00 H new ATOM 0 HD3 ARG A 133 0.112 12.756 -3.891 1.00 10.00 H new ATOM 0 HE ARG A 133 0.343 13.972 -1.242 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -1.563 14.035 -4.256 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -2.103 15.693 -3.975 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -0.255 16.038 -0.952 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -1.351 16.842 -2.081 1.00 10.00 H new ATOM 870 N VAL A 134 -0.526 7.108 -3.885 1.00 10.00 N ATOM 871 CA VAL A 134 -0.749 6.066 -4.870 1.00 10.00 C ATOM 872 C VAL A 134 -2.246 5.944 -5.118 1.00 10.00 C ATOM 873 O VAL A 134 -3.035 6.272 -4.239 1.00 10.00 O ATOM 874 CB VAL A 134 -0.131 4.760 -4.351 1.00 10.00 C ATOM 875 CG1 VAL A 134 -1.161 3.734 -3.910 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.724 4.107 -5.426 1.00 10.00 C ATOM 0 H VAL A 134 -0.850 6.864 -2.949 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.273 6.303 -5.822 1.00 10.00 H new ATOM 0 HB VAL A 134 0.464 5.051 -3.485 1.00 10.00 H new ATOM 0 HG11 VAL A 134 -0.653 2.837 -3.556 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -1.767 4.150 -3.105 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -1.803 3.478 -4.753 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.153 3.183 -5.038 1.00 10.00 H new ATOM 0 HG22 VAL A 134 0.107 3.883 -6.296 1.00 10.00 H new ATOM 0 HG23 VAL A 134 1.526 4.786 -5.715 1.00 10.00 H new ATOM 886 N ASN A 135 -2.633 5.391 -6.265 1.00 10.00 N ATOM 887 CA ASN A 135 -3.988 4.955 -6.513 1.00 10.00 C ATOM 888 C ASN A 135 -4.137 3.558 -5.915 1.00 10.00 C ATOM 889 O ASN A 135 -3.542 2.616 -6.435 1.00 10.00 O ATOM 890 CB ASN A 135 -4.222 4.946 -8.025 1.00 10.00 C ATOM 891 CG ASN A 135 -4.468 6.333 -8.616 1.00 10.00 C ATOM 892 OD1 ASN A 135 -4.601 7.321 -7.903 1.00 10.00 O ATOM 893 ND2 ASN A 135 -4.512 6.429 -9.938 1.00 10.00 N ATOM 0 H ASN A 135 -2.002 5.235 -7.051 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.724 5.618 -6.058 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.357 4.500 -8.515 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.078 4.309 -8.248 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -4.659 7.337 -10.379 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -4.399 5.595 -10.514 1.00 10.00 H new ATOM 900 N TYR A 136 -4.897 3.432 -4.819 1.00 10.00 N ATOM 901 CA TYR A 136 -5.119 2.208 -4.043 1.00 10.00 C ATOM 902 C TYR A 136 -5.214 0.970 -4.954 1.00 10.00 C ATOM 903 O TYR A 136 -4.409 0.046 -4.840 1.00 10.00 O ATOM 904 CB TYR A 136 -6.367 2.412 -3.160 1.00 10.00 C ATOM 905 CG TYR A 136 -7.298 1.227 -3.033 1.00 10.00 C ATOM 906 CD1 TYR A 136 -6.950 0.167 -2.189 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.432 1.118 -3.860 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.696 -1.021 -2.208 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.163 -0.080 -3.897 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.797 -1.150 -3.067 1.00 10.00 C ATOM 911 OH TYR A 136 -9.453 -2.343 -3.151 1.00 10.00 O ATOM 0 H TYR A 136 -5.402 4.228 -4.429 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.266 2.014 -3.393 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.037 2.696 -2.161 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.935 3.252 -3.559 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.106 0.263 -1.522 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -8.740 1.957 -4.467 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.421 -1.839 -1.559 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.007 -0.178 -4.564 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.192 -2.266 -3.790 1.00 10.00 H new ATOM 921 N GLU A 137 -6.193 0.961 -5.867 1.00 10.00 N ATOM 922 CA GLU A 137 -6.467 -0.179 -6.730 1.00 10.00 C ATOM 923 C GLU A 137 -5.280 -0.398 -7.667 1.00 10.00 C ATOM 924 O GLU A 137 -4.656 -1.457 -7.669 1.00 10.00 O ATOM 925 CB GLU A 137 -7.762 0.062 -7.523 1.00 10.00 C ATOM 926 CG GLU A 137 -8.179 -1.190 -8.306 1.00 10.00 C ATOM 927 CD GLU A 137 -9.160 -0.850 -9.418 1.00 10.00 C ATOM 928 OE1 GLU A 137 -8.682 -0.286 -10.426 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.355 -1.164 -9.243 1.00 10.00 O ATOM 0 H GLU A 137 -6.817 1.752 -6.023 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.605 -1.076 -6.126 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.561 0.349 -6.839 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.619 0.894 -8.213 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.295 -1.666 -8.732 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.633 -1.911 -7.626 1.00 10.00 H new ATOM 936 N GLU A 138 -4.976 0.623 -8.468 1.00 10.00 N ATOM 937 CA GLU A 138 -3.952 0.580 -9.500 1.00 10.00 C ATOM 938 C GLU A 138 -2.644 0.026 -8.926 1.00 10.00 C ATOM 939 O GLU A 138 -2.007 -0.844 -9.508 1.00 10.00 O ATOM 940 CB GLU A 138 -3.787 1.988 -10.089 1.00 10.00 C ATOM 941 CG GLU A 138 -3.580 1.968 -11.607 1.00 10.00 C ATOM 942 CD GLU A 138 -3.503 3.375 -12.191 1.00 10.00 C ATOM 943 OE1 GLU A 138 -3.733 4.332 -11.419 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.221 3.464 -13.404 1.00 10.00 O ATOM 0 H GLU A 138 -5.450 1.524 -8.412 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.248 -0.093 -10.305 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.670 2.583 -9.854 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.937 2.479 -9.616 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.663 1.428 -11.841 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.399 1.424 -12.078 1.00 10.00 H new ATOM 951 N PHE A 139 -2.265 0.482 -7.735 1.00 10.00 N ATOM 952 CA PHE A 139 -1.061 0.032 -7.060 1.00 10.00 C ATOM 953 C PHE A 139 -1.025 -1.473 -6.821 1.00 10.00 C ATOM 954 O PHE A 139 0.031 -2.098 -6.918 1.00 10.00 O ATOM 955 CB PHE A 139 -0.909 0.802 -5.756 1.00 10.00 C ATOM 956 CG PHE A 139 0.351 0.492 -4.976 1.00 10.00 C ATOM 957 CD1 PHE A 139 1.600 0.462 -5.625 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.265 0.159 -3.614 1.00 10.00 C ATOM 959 CE1 PHE A 139 2.734 -0.011 -4.947 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.401 -0.305 -2.931 1.00 10.00 C ATOM 961 CZ PHE A 139 2.631 -0.406 -3.603 1.00 10.00 C ATOM 0 H PHE A 139 -2.793 1.180 -7.211 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.216 0.237 -7.717 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -0.929 1.869 -5.977 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -1.771 0.591 -5.124 1.00 10.00 H new ATOM 0 HD1 PHE A 139 1.686 0.803 -6.646 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.675 0.260 -3.092 1.00 10.00 H new ATOM 0 HE1 PHE A 139 3.684 -0.071 -5.457 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.329 -0.584 -1.890 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.498 -0.788 -3.085 1.00 10.00 H new ATOM 971 N ALA A 140 -2.181 -2.070 -6.543 1.00 10.00 N ATOM 972 CA ALA A 140 -2.281 -3.515 -6.466 1.00 10.00 C ATOM 973 C ALA A 140 -1.807 -4.140 -7.781 1.00 10.00 C ATOM 974 O ALA A 140 -1.071 -5.125 -7.780 1.00 10.00 O ATOM 975 CB ALA A 140 -3.721 -3.903 -6.144 1.00 10.00 C ATOM 0 H ALA A 140 -3.055 -1.574 -6.369 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.639 -3.894 -5.670 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.801 -4.988 -6.085 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.011 -3.466 -5.189 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.382 -3.533 -6.928 1.00 10.00 H new ATOM 981 N ARG A 141 -2.202 -3.528 -8.905 1.00 10.00 N ATOM 982 CA ARG A 141 -1.708 -3.894 -10.220 1.00 10.00 C ATOM 983 C ARG A 141 -0.192 -3.712 -10.254 1.00 10.00 C ATOM 984 O ARG A 141 0.519 -4.662 -10.559 1.00 10.00 O ATOM 985 CB ARG A 141 -2.425 -3.081 -11.313 1.00 10.00 C ATOM 986 CG ARG A 141 -2.539 -3.856 -12.629 1.00 10.00 C ATOM 987 CD ARG A 141 -3.459 -3.099 -13.599 1.00 10.00 C ATOM 988 NE ARG A 141 -3.716 -3.870 -14.827 1.00 10.00 N ATOM 989 CZ ARG A 141 -4.541 -4.928 -14.917 1.00 10.00 C ATOM 990 NH1 ARG A 141 -5.200 -5.353 -13.833 1.00 10.00 N ATOM 991 NH2 ARG A 141 -4.701 -5.555 -16.088 1.00 10.00 N ATOM 0 H ARG A 141 -2.876 -2.763 -8.918 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.926 -4.943 -10.422 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.422 -2.809 -10.966 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.883 -2.151 -11.486 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.552 -3.983 -13.074 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -2.935 -4.854 -12.441 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -4.405 -2.878 -13.104 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -3.004 -2.143 -13.859 1.00 10.00 H new ATOM 0 HE ARG A 141 -3.230 -3.579 -15.675 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -5.076 -4.875 -12.941 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -5.826 -6.155 -13.899 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -4.197 -5.231 -16.913 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -5.327 -6.357 -16.155 1.00 10.00 H new ATOM 1005 N MET A 142 0.312 -2.516 -9.921 1.00 10.00 N ATOM 1006 CA MET A 142 1.751 -2.274 -9.970 1.00 10.00 C ATOM 1007 C MET A 142 2.556 -3.256 -9.120 1.00 10.00 C ATOM 1008 O MET A 142 3.675 -3.558 -9.520 1.00 10.00 O ATOM 1009 CB MET A 142 2.171 -0.848 -9.600 1.00 10.00 C ATOM 1010 CG MET A 142 1.938 0.193 -10.699 1.00 10.00 C ATOM 1011 SD MET A 142 0.220 0.643 -11.030 1.00 10.00 S ATOM 1012 CE MET A 142 0.408 1.398 -12.658 1.00 10.00 C ATOM 0 H MET A 142 -0.247 -1.718 -9.621 1.00 10.00 H new ATOM 0 HA MET A 142 1.985 -2.429 -11.023 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.625 -0.543 -8.708 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.230 -0.851 -9.340 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.483 1.099 -10.432 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.377 -0.182 -11.623 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.564 1.736 -13.017 1.00 10.00 H new ATOM 0 HE2 MET A 142 1.085 2.250 -12.588 1.00 10.00 H new ATOM 0 HE3 MET A 142 0.817 0.665 -13.354 1.00 10.00 H new ATOM 1022 N LEU A 143 2.070 -3.732 -7.963 1.00 10.00 N ATOM 1023 CA LEU A 143 2.780 -4.741 -7.218 1.00 10.00 C ATOM 1024 C LEU A 143 3.016 -5.974 -8.101 1.00 10.00 C ATOM 1025 O LEU A 143 4.151 -6.430 -8.242 1.00 10.00 O ATOM 1026 CB LEU A 143 1.985 -5.024 -5.937 1.00 10.00 C ATOM 1027 CG LEU A 143 2.773 -5.744 -4.843 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.081 -7.054 -4.494 1.00 10.00 C ATOM 1029 CD2 LEU A 143 4.246 -6.063 -5.050 1.00 10.00 C ATOM 0 H LEU A 143 1.194 -3.427 -7.539 1.00 10.00 H new ATOM 0 HA LEU A 143 3.774 -4.407 -6.920 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.616 -4.079 -5.538 1.00 10.00 H new ATOM 0 HB3 LEU A 143 1.112 -5.625 -6.192 1.00 10.00 H new ATOM 0 HG LEU A 143 2.775 -4.988 -4.058 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.644 -7.566 -3.714 1.00 10.00 H new ATOM 0 HD12 LEU A 143 1.072 -6.849 -4.138 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.031 -7.687 -5.380 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.635 -6.574 -4.169 1.00 10.00 H new ATOM 0 HD22 LEU A 143 4.360 -6.706 -5.922 1.00 10.00 H new ATOM 0 HD23 LEU A 143 4.800 -5.138 -5.207 1.00 10.00 H new ATOM 1041 N ALA A 144 1.973 -6.485 -8.764 1.00 10.00 N ATOM 1042 CA ALA A 144 2.168 -7.502 -9.792 1.00 10.00 C ATOM 1043 C ALA A 144 2.538 -6.846 -11.115 1.00 10.00 C ATOM 1044 O ALA A 144 1.758 -6.781 -12.067 1.00 10.00 O ATOM 1045 CB ALA A 144 0.942 -8.359 -9.961 1.00 10.00 C ATOM 0 H ALA A 144 1.002 -6.214 -8.608 1.00 10.00 H new ATOM 0 HA ALA A 144 2.985 -8.149 -9.471 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.123 -9.105 -10.735 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.716 -8.860 -9.020 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.098 -7.733 -10.251 1.00 10.00 H new