USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=3 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 107 MET CE :methyl -172:sc= -0.906 (180deg=-1.31) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.757 K(o=-0.15,f=-2.7) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.52) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.33) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc=-0.000476 K(o=-0.00048,f=-0.62) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.653 -13.835 -2.217 1.00 10.00 N ATOM 38 CA ALA A 78 0.005 -12.698 -1.639 1.00 10.00 C ATOM 39 C ALA A 78 0.690 -11.891 -2.726 1.00 10.00 C ATOM 40 O ALA A 78 0.579 -12.185 -3.918 1.00 10.00 O ATOM 41 CB ALA A 78 1.013 -13.186 -0.620 1.00 10.00 C ATOM 0 HA ALA A 78 -0.723 -12.054 -1.146 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.521 -12.332 -0.173 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.500 -13.751 0.158 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.745 -13.827 -1.111 1.00 10.00 H new ATOM 47 N GLY A 79 1.328 -10.800 -2.321 1.00 10.00 N ATOM 48 CA GLY A 79 1.279 -9.649 -3.181 1.00 10.00 C ATOM 49 C GLY A 79 -0.201 -9.294 -3.262 1.00 10.00 C ATOM 50 O GLY A 79 -0.726 -8.675 -2.356 1.00 10.00 O ATOM 0 H GLY A 79 1.854 -10.697 -1.453 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.863 -8.824 -2.773 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.688 -9.872 -4.166 1.00 10.00 H new ATOM 54 N LEU A 80 -0.914 -9.701 -4.304 1.00 10.00 N ATOM 55 CA LEU A 80 -2.149 -9.031 -4.665 1.00 10.00 C ATOM 56 C LEU A 80 -3.250 -9.068 -3.604 1.00 10.00 C ATOM 57 O LEU A 80 -3.694 -8.016 -3.138 1.00 10.00 O ATOM 58 CB LEU A 80 -2.568 -9.551 -6.043 1.00 10.00 C ATOM 59 CG LEU A 80 -3.855 -8.937 -6.592 1.00 10.00 C ATOM 60 CD1 LEU A 80 -3.773 -7.408 -6.670 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.101 -9.510 -7.991 1.00 10.00 C ATOM 0 H LEU A 80 -0.659 -10.484 -4.906 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.964 -7.958 -4.720 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.760 -9.360 -6.749 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.693 -10.632 -5.986 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.675 -9.184 -5.917 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -4.709 -7.013 -7.066 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.600 -7.002 -5.673 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.952 -7.121 -7.327 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.016 -9.085 -8.403 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -3.261 -9.260 -8.639 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.201 -10.594 -7.928 1.00 10.00 H new ATOM 73 N GLU A 81 -3.709 -10.256 -3.219 1.00 10.00 N ATOM 74 CA GLU A 81 -4.796 -10.356 -2.259 1.00 10.00 C ATOM 75 C GLU A 81 -4.335 -9.775 -0.923 1.00 10.00 C ATOM 76 O GLU A 81 -5.043 -8.975 -0.312 1.00 10.00 O ATOM 77 CB GLU A 81 -5.223 -11.820 -2.133 1.00 10.00 C ATOM 78 CG GLU A 81 -6.656 -11.968 -1.614 1.00 10.00 C ATOM 79 CD GLU A 81 -7.000 -13.433 -1.411 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.309 -14.266 -2.042 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.952 -13.717 -0.659 1.00 10.00 O ATOM 0 H GLU A 81 -3.349 -11.150 -3.554 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.663 -9.785 -2.592 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.140 -12.305 -3.106 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.540 -12.338 -1.459 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.766 -11.429 -0.673 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.353 -11.519 -2.321 1.00 10.00 H new ATOM 88 N ASP A 82 -3.115 -10.142 -0.514 1.00 10.00 N ATOM 89 CA ASP A 82 -2.500 -9.674 0.725 1.00 10.00 C ATOM 90 C ASP A 82 -2.563 -8.160 0.772 1.00 10.00 C ATOM 91 O ASP A 82 -2.985 -7.569 1.754 1.00 10.00 O ATOM 92 CB ASP A 82 -1.040 -10.139 0.834 1.00 10.00 C ATOM 93 CG ASP A 82 -0.889 -11.534 1.420 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.766 -12.377 1.139 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.138 -11.744 2.098 1.00 10.00 O ATOM 0 H ASP A 82 -2.523 -10.781 -1.044 1.00 10.00 H new ATOM 0 HA ASP A 82 -3.049 -10.097 1.566 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.586 -10.119 -0.157 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.487 -9.432 1.453 1.00 10.00 H new ATOM 100 N LEU A 83 -2.137 -7.532 -0.310 1.00 10.00 N ATOM 101 CA LEU A 83 -1.998 -6.103 -0.432 1.00 10.00 C ATOM 102 C LEU A 83 -3.379 -5.448 -0.456 1.00 10.00 C ATOM 103 O LEU A 83 -3.578 -4.444 0.214 1.00 10.00 O ATOM 104 CB LEU A 83 -1.138 -5.820 -1.665 1.00 10.00 C ATOM 105 CG LEU A 83 0.370 -6.135 -1.464 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.155 -4.851 -1.266 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.797 -7.033 -0.293 1.00 10.00 C ATOM 0 H LEU A 83 -1.869 -8.030 -1.159 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.489 -5.663 0.425 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.514 -6.409 -2.502 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.247 -4.771 -1.939 1.00 10.00 H new ATOM 0 HG LEU A 83 0.580 -6.691 -2.378 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.210 -5.087 -1.126 1.00 10.00 H new ATOM 0 HD12 LEU A 83 1.039 -4.215 -2.143 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.781 -4.328 -0.386 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.881 -7.149 -0.300 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.487 -6.577 0.647 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.326 -8.011 -0.394 1.00 10.00 H new ATOM 119 N GLN A 84 -4.371 -6.003 -1.154 1.00 10.00 N ATOM 120 CA GLN A 84 -5.723 -5.446 -1.080 1.00 10.00 C ATOM 121 C GLN A 84 -6.300 -5.567 0.341 1.00 10.00 C ATOM 122 O GLN A 84 -6.907 -4.626 0.857 1.00 10.00 O ATOM 123 CB GLN A 84 -6.596 -6.044 -2.195 1.00 10.00 C ATOM 124 CG GLN A 84 -7.758 -5.109 -2.580 1.00 10.00 C ATOM 125 CD GLN A 84 -8.071 -5.152 -4.078 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.925 -5.917 -4.512 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.397 -4.317 -4.870 1.00 10.00 N ATOM 0 H GLN A 84 -4.270 -6.816 -1.762 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.698 -4.372 -1.267 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.980 -6.238 -3.073 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.996 -7.004 -1.868 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.648 -5.390 -2.018 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.509 -4.087 -2.293 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.693 -3.694 -4.473 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.585 -4.301 -5.872 1.00 10.00 H new ATOM 136 N VAL A 85 -6.059 -6.691 1.018 1.00 10.00 N ATOM 137 CA VAL A 85 -6.422 -6.888 2.398 1.00 10.00 C ATOM 138 C VAL A 85 -5.631 -5.922 3.302 1.00 10.00 C ATOM 139 O VAL A 85 -6.189 -5.397 4.261 1.00 10.00 O ATOM 140 CB VAL A 85 -6.209 -8.385 2.673 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.226 -8.683 4.157 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.293 -9.220 1.972 1.00 10.00 C ATOM 0 H VAL A 85 -5.596 -7.499 0.602 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.461 -6.646 2.620 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.229 -8.653 2.277 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.073 -9.750 4.316 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.430 -8.125 4.649 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.188 -8.389 4.576 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.127 -10.278 2.177 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.275 -8.928 2.344 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.247 -9.047 0.897 1.00 10.00 H new ATOM 152 N ALA A 86 -4.360 -5.645 2.980 1.00 10.00 N ATOM 153 CA ALA A 86 -3.531 -4.640 3.639 1.00 10.00 C ATOM 154 C ALA A 86 -4.271 -3.311 3.564 1.00 10.00 C ATOM 155 O ALA A 86 -4.649 -2.716 4.573 1.00 10.00 O ATOM 156 CB ALA A 86 -2.134 -4.537 2.973 1.00 10.00 C ATOM 0 H ALA A 86 -3.870 -6.132 2.230 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.360 -4.920 4.678 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.541 -3.780 3.487 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.628 -5.500 3.038 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.250 -4.258 1.926 1.00 10.00 H new ATOM 162 N PHE A 87 -4.510 -2.875 2.331 1.00 10.00 N ATOM 163 CA PHE A 87 -5.183 -1.638 2.022 1.00 10.00 C ATOM 164 C PHE A 87 -6.431 -1.445 2.864 1.00 10.00 C ATOM 165 O PHE A 87 -6.592 -0.374 3.436 1.00 10.00 O ATOM 166 CB PHE A 87 -5.477 -1.575 0.518 1.00 10.00 C ATOM 167 CG PHE A 87 -4.280 -1.201 -0.315 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.547 -0.068 0.053 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.819 -2.007 -1.371 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.303 0.170 -0.527 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.490 -1.885 -1.796 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.712 -0.827 -1.309 1.00 10.00 C ATOM 0 H PHE A 87 -4.228 -3.396 1.501 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.524 -0.808 2.277 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.850 -2.545 0.188 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.272 -0.851 0.342 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.944 0.620 0.784 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.482 -2.712 -1.849 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.801 1.114 -0.374 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.070 -2.598 -2.490 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.657 -0.781 -1.537 1.00 10.00 H new ATOM 182 N ARG A 88 -7.264 -2.482 2.988 1.00 10.00 N ATOM 183 CA ARG A 88 -8.510 -2.424 3.747 1.00 10.00 C ATOM 184 C ARG A 88 -8.363 -1.920 5.198 1.00 10.00 C ATOM 185 O ARG A 88 -9.364 -1.624 5.844 1.00 10.00 O ATOM 186 CB ARG A 88 -9.195 -3.799 3.687 1.00 10.00 C ATOM 187 CG ARG A 88 -10.644 -3.819 4.199 1.00 10.00 C ATOM 188 CD ARG A 88 -11.487 -2.704 3.565 1.00 10.00 C ATOM 189 NE ARG A 88 -12.923 -2.907 3.789 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.886 -2.167 3.213 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.577 -1.126 2.435 1.00 10.00 N ATOM 192 NH2 ARG A 88 -15.170 -2.484 3.417 1.00 10.00 N ATOM 0 H ARG A 88 -7.089 -3.391 2.560 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.136 -1.668 3.272 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.184 -4.150 2.655 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.608 -4.508 4.271 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.095 -4.786 3.977 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.648 -3.706 5.283 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.187 -1.742 3.981 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.289 -2.664 2.494 1.00 10.00 H new ATOM 0 HE ARG A 88 -13.208 -3.656 4.421 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.600 -0.884 2.272 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.318 -0.573 2.004 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.411 -3.281 4.006 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.908 -1.928 2.984 1.00 10.00 H new ATOM 206 N ALA A 89 -7.147 -1.839 5.750 1.00 10.00 N ATOM 207 CA ALA A 89 -6.930 -1.173 7.027 1.00 10.00 C ATOM 208 C ALA A 89 -7.145 0.349 6.904 1.00 10.00 C ATOM 209 O ALA A 89 -7.908 0.928 7.674 1.00 10.00 O ATOM 210 CB ALA A 89 -5.533 -1.526 7.541 1.00 10.00 C ATOM 0 H ALA A 89 -6.303 -2.228 5.329 1.00 10.00 H new ATOM 0 HA ALA A 89 -7.662 -1.523 7.754 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.361 -1.032 8.497 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.455 -2.605 7.671 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -4.785 -1.193 6.821 1.00 10.00 H new ATOM 216 N PHE A 90 -6.449 0.996 5.962 1.00 10.00 N ATOM 217 CA PHE A 90 -6.454 2.441 5.730 1.00 10.00 C ATOM 218 C PHE A 90 -6.835 2.755 4.285 1.00 10.00 C ATOM 219 O PHE A 90 -6.146 3.532 3.621 1.00 10.00 O ATOM 220 CB PHE A 90 -5.069 2.963 6.060 1.00 10.00 C ATOM 221 CG PHE A 90 -4.613 2.481 7.420 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.207 2.979 8.592 1.00 10.00 C ATOM 223 CD2 PHE A 90 -3.713 1.410 7.491 1.00 10.00 C ATOM 224 CE1 PHE A 90 -4.853 2.437 9.839 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.380 0.852 8.730 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.938 1.371 9.911 1.00 10.00 C ATOM 0 H PHE A 90 -5.839 0.501 5.311 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.196 2.927 6.364 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.362 2.633 5.299 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.074 4.053 6.040 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -5.934 3.776 8.534 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.275 1.014 6.587 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.284 2.839 10.744 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -2.693 0.020 8.779 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.666 0.953 10.869 1.00 10.00 H new ATOM 236 N ASP A 91 -7.911 2.149 3.785 1.00 10.00 N ATOM 237 CA ASP A 91 -8.429 2.401 2.462 1.00 10.00 C ATOM 238 C ASP A 91 -9.354 3.608 2.516 1.00 10.00 C ATOM 239 O ASP A 91 -9.952 3.902 3.550 1.00 10.00 O ATOM 240 CB ASP A 91 -9.155 1.152 1.947 1.00 10.00 C ATOM 241 CG ASP A 91 -10.309 0.666 2.809 1.00 10.00 C ATOM 242 OD1 ASP A 91 -10.178 0.742 4.047 1.00 10.00 O ATOM 243 OD2 ASP A 91 -11.268 0.124 2.216 1.00 10.00 O ATOM 0 H ASP A 91 -8.450 1.458 4.307 1.00 10.00 H new ATOM 0 HA ASP A 91 -7.617 2.621 1.769 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -9.534 1.360 0.946 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -8.429 0.344 1.852 1.00 10.00 H new ATOM 296 N GLY A 96 -9.772 5.522 -4.500 1.00 10.00 N ATOM 297 CA GLY A 96 -9.575 6.629 -3.598 1.00 10.00 C ATOM 298 C GLY A 96 -8.076 6.762 -3.415 1.00 10.00 C ATOM 299 O GLY A 96 -7.319 6.353 -4.287 1.00 10.00 O ATOM 0 HA2 GLY A 96 -10.000 7.545 -4.007 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -10.069 6.447 -2.644 1.00 10.00 H new ATOM 303 N HIS A 97 -7.641 7.241 -2.257 1.00 10.00 N ATOM 304 CA HIS A 97 -6.233 7.377 -1.924 1.00 10.00 C ATOM 305 C HIS A 97 -5.861 6.605 -0.668 1.00 10.00 C ATOM 306 O HIS A 97 -6.647 6.537 0.274 1.00 10.00 O ATOM 307 CB HIS A 97 -5.875 8.860 -1.752 1.00 10.00 C ATOM 308 CG HIS A 97 -5.429 9.503 -3.033 1.00 10.00 C ATOM 309 ND1 HIS A 97 -6.085 10.475 -3.755 1.00 10.00 N ATOM 310 CD2 HIS A 97 -4.228 9.274 -3.638 1.00 10.00 C ATOM 311 CE1 HIS A 97 -5.283 10.815 -4.781 1.00 10.00 C ATOM 312 NE2 HIS A 97 -4.141 10.111 -4.749 1.00 10.00 N ATOM 0 H HIS A 97 -8.267 7.550 -1.513 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.661 6.953 -2.749 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.742 9.396 -1.364 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.083 8.954 -1.009 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.477 8.569 -3.313 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -5.526 11.555 -5.529 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -3.364 10.176 -5.407 1.00 10.00 H new ATOM 320 N ILE A 98 -4.639 6.063 -0.660 1.00 10.00 N ATOM 321 CA ILE A 98 -3.990 5.579 0.552 1.00 10.00 C ATOM 322 C ILE A 98 -2.989 6.579 1.109 1.00 10.00 C ATOM 323 O ILE A 98 -2.507 7.484 0.429 1.00 10.00 O ATOM 324 CB ILE A 98 -3.278 4.235 0.340 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.208 4.255 -0.768 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.316 3.135 0.174 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.802 4.399 -0.181 1.00 10.00 C ATOM 0 H ILE A 98 -4.073 5.949 -1.501 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.797 5.442 1.272 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.693 4.021 1.235 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -2.268 3.336 -1.351 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.405 5.080 -1.452 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.813 2.180 0.023 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.936 3.082 1.069 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.944 3.355 -0.689 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.070 4.410 -0.989 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.736 5.331 0.381 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.597 3.559 0.483 1.00 10.00 H new ATOM 339 N THR A 99 -2.653 6.299 2.361 1.00 10.00 N ATOM 340 CA THR A 99 -1.615 6.867 3.181 1.00 10.00 C ATOM 341 C THR A 99 -0.523 5.803 3.256 1.00 10.00 C ATOM 342 O THR A 99 -0.704 4.732 3.831 1.00 10.00 O ATOM 343 CB THR A 99 -2.320 7.281 4.474 1.00 10.00 C ATOM 344 OG1 THR A 99 -3.215 8.334 4.178 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.356 7.775 5.528 1.00 10.00 C ATOM 0 H THR A 99 -3.167 5.584 2.876 1.00 10.00 H new ATOM 0 HA THR A 99 -1.106 7.763 2.827 1.00 10.00 H new ATOM 0 HB THR A 99 -2.831 6.402 4.866 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.677 8.611 4.997 1.00 10.00 H new ATOM 0 HG21 THR A 99 -1.909 8.055 6.424 1.00 10.00 H new ATOM 0 HG22 THR A 99 -0.647 6.984 5.772 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.816 8.642 5.149 1.00 10.00 H new ATOM 353 N VAL A 100 0.595 6.075 2.574 1.00 10.00 N ATOM 354 CA VAL A 100 1.703 5.145 2.393 1.00 10.00 C ATOM 355 C VAL A 100 2.230 4.626 3.733 1.00 10.00 C ATOM 356 O VAL A 100 2.700 3.495 3.849 1.00 10.00 O ATOM 357 CB VAL A 100 2.765 5.789 1.502 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.687 6.675 2.315 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.569 4.752 0.710 1.00 10.00 C ATOM 0 H VAL A 100 0.753 6.975 2.122 1.00 10.00 H new ATOM 0 HA VAL A 100 1.356 4.251 1.875 1.00 10.00 H new ATOM 0 HB VAL A 100 2.237 6.407 0.776 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.434 7.122 1.659 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.106 7.463 2.793 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.185 6.078 3.079 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.310 5.260 0.093 1.00 10.00 H new ATOM 0 HG22 VAL A 100 4.074 4.077 1.402 1.00 10.00 H new ATOM 0 HG23 VAL A 100 2.896 4.180 0.072 1.00 10.00 H new ATOM 369 N ASP A 101 2.166 5.486 4.747 1.00 10.00 N ATOM 370 CA ASP A 101 2.644 5.114 6.077 1.00 10.00 C ATOM 371 C ASP A 101 1.689 4.122 6.751 1.00 10.00 C ATOM 372 O ASP A 101 2.077 3.007 7.099 1.00 10.00 O ATOM 373 CB ASP A 101 2.992 6.344 6.920 1.00 10.00 C ATOM 374 CG ASP A 101 4.283 6.070 7.674 1.00 10.00 C ATOM 375 OD1 ASP A 101 5.352 6.321 7.067 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.221 5.499 8.779 1.00 10.00 O ATOM 0 H ASP A 101 1.793 6.433 4.676 1.00 10.00 H new ATOM 0 HA ASP A 101 3.587 4.578 5.972 1.00 10.00 H new ATOM 0 HB2 ASP A 101 3.106 7.220 6.281 1.00 10.00 H new ATOM 0 HB3 ASP A 101 2.185 6.563 7.620 1.00 10.00 H new ATOM 381 N GLU A 102 0.409 4.485 6.833 1.00 10.00 N ATOM 382 CA GLU A 102 -0.711 3.601 7.140 1.00 10.00 C ATOM 383 C GLU A 102 -0.551 2.250 6.447 1.00 10.00 C ATOM 384 O GLU A 102 -0.658 1.212 7.088 1.00 10.00 O ATOM 385 CB GLU A 102 -1.996 4.312 6.727 1.00 10.00 C ATOM 386 CG GLU A 102 -2.703 5.024 7.892 1.00 10.00 C ATOM 387 CD GLU A 102 -2.052 6.329 8.330 1.00 10.00 C ATOM 388 OE1 GLU A 102 -0.814 6.440 8.201 1.00 10.00 O ATOM 389 OE2 GLU A 102 -2.821 7.223 8.741 1.00 10.00 O ATOM 0 H GLU A 102 0.113 5.449 6.680 1.00 10.00 H new ATOM 0 HA GLU A 102 -0.745 3.387 8.208 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -1.765 5.042 5.951 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.679 3.585 6.287 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.734 5.227 7.603 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.738 4.347 8.746 1.00 10.00 H new ATOM 396 N LEU A 103 -0.256 2.250 5.151 1.00 10.00 N ATOM 397 CA LEU A 103 0.081 1.049 4.391 1.00 10.00 C ATOM 398 C LEU A 103 1.110 0.170 5.130 1.00 10.00 C ATOM 399 O LEU A 103 0.911 -1.029 5.323 1.00 10.00 O ATOM 400 CB LEU A 103 0.644 1.495 3.037 1.00 10.00 C ATOM 401 CG LEU A 103 -0.059 0.950 1.800 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.893 1.251 0.637 1.00 10.00 C ATOM 403 CD2 LEU A 103 -0.274 -0.564 1.847 1.00 10.00 C ATOM 0 H LEU A 103 -0.244 3.100 4.588 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.816 0.443 4.261 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.613 2.584 2.996 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.693 1.204 2.990 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.045 1.406 1.712 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.457 0.888 -0.294 1.00 10.00 H new ATOM 0 HD12 LEU A 103 1.053 2.327 0.567 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.847 0.753 0.809 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.779 -0.888 0.937 1.00 10.00 H new ATOM 0 HD22 LEU A 103 0.690 -1.066 1.925 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.887 -0.818 2.712 1.00 10.00 H new ATOM 415 N ARG A 104 2.222 0.773 5.556 1.00 10.00 N ATOM 416 CA ARG A 104 3.272 0.104 6.319 1.00 10.00 C ATOM 417 C ARG A 104 2.700 -0.492 7.601 1.00 10.00 C ATOM 418 O ARG A 104 3.044 -1.607 7.992 1.00 10.00 O ATOM 419 CB ARG A 104 4.380 1.117 6.639 1.00 10.00 C ATOM 420 CG ARG A 104 5.743 0.444 6.870 1.00 10.00 C ATOM 421 CD ARG A 104 6.860 1.480 7.067 1.00 10.00 C ATOM 422 NE ARG A 104 6.883 2.496 5.994 1.00 10.00 N ATOM 423 CZ ARG A 104 6.724 3.812 6.226 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.987 4.332 7.425 1.00 10.00 N ATOM 425 NH2 ARG A 104 6.247 4.627 5.286 1.00 10.00 N ATOM 0 H ARG A 104 2.419 1.757 5.376 1.00 10.00 H new ATOM 0 HA ARG A 104 3.689 -0.712 5.729 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.465 1.830 5.819 1.00 10.00 H new ATOM 0 HB3 ARG A 104 4.103 1.685 7.527 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.687 -0.202 7.746 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.983 -0.193 6.019 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.727 1.975 8.029 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.823 0.970 7.101 1.00 10.00 H new ATOM 0 HE ARG A 104 7.026 2.185 5.033 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.313 3.730 8.181 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.862 5.331 7.586 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.995 4.256 4.370 1.00 10.00 H new ATOM 0 HH22 ARG A 104 6.134 5.622 5.483 1.00 10.00 H new ATOM 439 N ARG A 105 1.819 0.266 8.254 1.00 10.00 N ATOM 440 CA ARG A 105 1.108 -0.196 9.433 1.00 10.00 C ATOM 441 C ARG A 105 0.239 -1.413 9.085 1.00 10.00 C ATOM 442 O ARG A 105 0.246 -2.405 9.814 1.00 10.00 O ATOM 443 CB ARG A 105 0.285 0.957 10.038 1.00 10.00 C ATOM 444 CG ARG A 105 0.485 1.115 11.549 1.00 10.00 C ATOM 445 CD ARG A 105 0.077 -0.130 12.346 1.00 10.00 C ATOM 446 NE ARG A 105 0.190 0.129 13.790 1.00 10.00 N ATOM 447 CZ ARG A 105 0.165 -0.809 14.751 1.00 10.00 C ATOM 448 NH1 ARG A 105 0.002 -2.095 14.424 1.00 10.00 N ATOM 449 NH2 ARG A 105 0.304 -0.452 16.034 1.00 10.00 N ATOM 0 H ARG A 105 1.582 1.218 7.975 1.00 10.00 H new ATOM 0 HA ARG A 105 1.824 -0.517 10.190 1.00 10.00 H new ATOM 0 HB2 ARG A 105 0.559 1.889 9.543 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -0.772 0.786 9.834 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.533 1.339 11.749 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.096 1.969 11.899 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.947 -0.409 12.099 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.712 -0.972 12.070 1.00 10.00 H new ATOM 0 HE ARG A 105 0.296 1.100 14.085 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -0.103 -2.363 13.445 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -0.017 -2.808 15.153 1.00 10.00 H new ATOM 0 HH21 ARG A 105 0.428 0.530 16.279 1.00 10.00 H new ATOM 0 HH22 ARG A 105 0.285 -1.162 16.766 1.00 10.00 H new ATOM 463 N ALA A 106 -0.504 -1.347 7.975 1.00 10.00 N ATOM 464 CA ALA A 106 -1.438 -2.376 7.543 1.00 10.00 C ATOM 465 C ALA A 106 -0.744 -3.719 7.421 1.00 10.00 C ATOM 466 O ALA A 106 -1.278 -4.744 7.836 1.00 10.00 O ATOM 467 CB ALA A 106 -2.027 -2.013 6.185 1.00 10.00 C ATOM 0 H ALA A 106 -0.466 -0.551 7.339 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.228 -2.442 8.291 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.724 -2.790 5.871 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.553 -1.061 6.259 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.225 -1.928 5.452 1.00 10.00 H new ATOM 473 N MET A 107 0.460 -3.700 6.852 1.00 10.00 N ATOM 474 CA MET A 107 1.283 -4.888 6.673 1.00 10.00 C ATOM 475 C MET A 107 1.512 -5.659 7.991 1.00 10.00 C ATOM 476 O MET A 107 1.737 -6.870 7.967 1.00 10.00 O ATOM 477 CB MET A 107 2.568 -4.495 5.940 1.00 10.00 C ATOM 478 CG MET A 107 2.241 -3.857 4.572 1.00 10.00 C ATOM 479 SD MET A 107 2.365 -4.912 3.107 1.00 10.00 S ATOM 480 CE MET A 107 4.120 -4.724 2.762 1.00 10.00 C ATOM 0 H MET A 107 0.894 -2.847 6.499 1.00 10.00 H new ATOM 0 HA MET A 107 0.753 -5.607 6.049 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.139 -3.793 6.547 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.195 -5.375 5.796 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.225 -3.464 4.618 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.906 -3.005 4.430 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.355 -5.192 1.806 1.00 10.00 H new ATOM 0 HE2 MET A 107 4.371 -3.664 2.719 1.00 10.00 H new ATOM 0 HE3 MET A 107 4.699 -5.202 3.552 1.00 10.00 H new ATOM 490 N ALA A 108 1.374 -5.010 9.157 1.00 10.00 N ATOM 491 CA ALA A 108 1.373 -5.712 10.440 1.00 10.00 C ATOM 492 C ALA A 108 0.247 -6.739 10.550 1.00 10.00 C ATOM 493 O ALA A 108 0.424 -7.784 11.169 1.00 10.00 O ATOM 494 CB ALA A 108 1.310 -4.709 11.594 1.00 10.00 C ATOM 0 H ALA A 108 1.262 -3.999 9.233 1.00 10.00 H new ATOM 0 HA ALA A 108 2.308 -6.269 10.502 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.310 -5.246 12.543 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.177 -4.049 11.550 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.399 -4.117 11.512 1.00 10.00 H new ATOM 500 N GLY A 109 -0.904 -6.451 9.944 1.00 10.00 N ATOM 501 CA GLY A 109 -2.011 -7.385 9.853 1.00 10.00 C ATOM 502 C GLY A 109 -1.636 -8.641 9.065 1.00 10.00 C ATOM 503 O GLY A 109 -2.224 -9.696 9.290 1.00 10.00 O ATOM 0 H GLY A 109 -1.090 -5.552 9.500 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.330 -7.668 10.856 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.860 -6.896 9.374 1.00 10.00 H new ATOM 507 N LEU A 110 -0.690 -8.531 8.125 1.00 10.00 N ATOM 508 CA LEU A 110 -0.345 -9.621 7.228 1.00 10.00 C ATOM 509 C LEU A 110 0.588 -10.627 7.893 1.00 10.00 C ATOM 510 O LEU A 110 0.237 -11.793 8.050 1.00 10.00 O ATOM 511 CB LEU A 110 0.270 -9.066 5.933 1.00 10.00 C ATOM 512 CG LEU A 110 -0.771 -8.418 5.005 1.00 10.00 C ATOM 513 CD1 LEU A 110 -0.040 -7.718 3.853 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.730 -9.464 4.418 1.00 10.00 C ATOM 0 H LEU A 110 -0.147 -7.681 7.971 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.262 -10.155 6.978 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.032 -8.329 6.186 1.00 10.00 H new ATOM 0 HB3 LEU A 110 0.772 -9.874 5.400 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.354 -7.706 5.589 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.769 -7.255 3.188 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.623 -6.952 4.255 1.00 10.00 H new ATOM 0 HD13 LEU A 110 0.546 -8.449 3.296 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -2.452 -8.971 3.767 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -1.163 -10.195 3.842 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -2.257 -9.969 5.227 1.00 10.00 H new ATOM 526 N GLY A 111 1.808 -10.203 8.223 1.00 10.00 N ATOM 527 CA GLY A 111 2.851 -11.131 8.588 1.00 10.00 C ATOM 528 C GLY A 111 4.181 -10.450 8.879 1.00 10.00 C ATOM 529 O GLY A 111 4.867 -10.809 9.832 1.00 10.00 O ATOM 0 H GLY A 111 2.087 -9.222 8.242 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.537 -11.693 9.468 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.987 -11.851 7.781 1.00 10.00 H new ATOM 533 N GLN A 112 4.548 -9.476 8.045 1.00 10.00 N ATOM 534 CA GLN A 112 5.785 -8.721 8.158 1.00 10.00 C ATOM 535 C GLN A 112 5.470 -7.315 8.697 1.00 10.00 C ATOM 536 O GLN A 112 5.292 -6.395 7.905 1.00 10.00 O ATOM 537 CB GLN A 112 6.494 -8.709 6.789 1.00 10.00 C ATOM 538 CG GLN A 112 5.561 -8.415 5.594 1.00 10.00 C ATOM 539 CD GLN A 112 6.298 -8.086 4.295 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.518 -8.190 4.212 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.541 -7.674 3.282 1.00 10.00 N ATOM 0 H GLN A 112 3.974 -9.187 7.253 1.00 10.00 H new ATOM 0 HA GLN A 112 6.471 -9.184 8.867 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.286 -7.960 6.809 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.973 -9.676 6.632 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.919 -9.280 5.426 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.910 -7.580 5.852 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.530 -7.603 3.397 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.971 -7.429 2.390 1.00 10.00 H new ATOM 550 N PRO A 113 5.359 -7.109 10.022 1.00 10.00 N ATOM 551 CA PRO A 113 5.020 -5.805 10.572 1.00 10.00 C ATOM 552 C PRO A 113 6.194 -4.842 10.405 1.00 10.00 C ATOM 553 O PRO A 113 7.328 -5.211 10.700 1.00 10.00 O ATOM 554 CB PRO A 113 4.731 -6.055 12.059 1.00 10.00 C ATOM 555 CG PRO A 113 5.603 -7.269 12.381 1.00 10.00 C ATOM 556 CD PRO A 113 5.526 -8.083 11.090 1.00 10.00 C ATOM 0 HA PRO A 113 4.166 -5.355 10.066 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.997 -5.194 12.672 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.675 -6.259 12.236 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.627 -6.981 12.619 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.222 -7.827 13.236 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.431 -8.673 10.944 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.690 -8.782 11.117 1.00 10.00 H new ATOM 564 N LEU A 114 5.936 -3.615 9.933 1.00 10.00 N ATOM 565 CA LEU A 114 6.987 -2.687 9.549 1.00 10.00 C ATOM 566 C LEU A 114 8.003 -3.364 8.624 1.00 10.00 C ATOM 567 O LEU A 114 9.190 -3.464 8.940 1.00 10.00 O ATOM 568 CB LEU A 114 7.658 -2.043 10.768 1.00 10.00 C ATOM 569 CG LEU A 114 8.497 -0.843 10.296 1.00 10.00 C ATOM 570 CD1 LEU A 114 7.627 0.411 10.225 1.00 10.00 C ATOM 571 CD2 LEU A 114 9.712 -0.640 11.199 1.00 10.00 C ATOM 0 H LEU A 114 4.993 -3.247 9.810 1.00 10.00 H new ATOM 0 HA LEU A 114 6.522 -1.875 8.989 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.905 -1.718 11.486 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.291 -2.769 11.278 1.00 10.00 H new ATOM 0 HG LEU A 114 8.873 -1.047 9.293 1.00 10.00 H new ATOM 0 HD11 LEU A 114 8.231 1.254 9.890 1.00 10.00 H new ATOM 0 HD12 LEU A 114 6.810 0.248 9.522 1.00 10.00 H new ATOM 0 HD13 LEU A 114 7.219 0.627 11.212 1.00 10.00 H new ATOM 0 HD21 LEU A 114 10.290 0.214 10.845 1.00 10.00 H new ATOM 0 HD22 LEU A 114 9.379 -0.455 12.220 1.00 10.00 H new ATOM 0 HD23 LEU A 114 10.335 -1.534 11.177 1.00 10.00 H new ATOM 583 N PRO A 115 7.560 -3.791 7.440 1.00 10.00 N ATOM 584 CA PRO A 115 8.453 -4.350 6.457 1.00 10.00 C ATOM 585 C PRO A 115 9.147 -3.193 5.774 1.00 10.00 C ATOM 586 O PRO A 115 8.784 -2.828 4.662 1.00 10.00 O ATOM 587 CB PRO A 115 7.543 -5.095 5.501 1.00 10.00 C ATOM 588 CG PRO A 115 6.206 -4.359 5.575 1.00 10.00 C ATOM 589 CD PRO A 115 6.229 -3.596 6.893 1.00 10.00 C ATOM 0 HA PRO A 115 9.218 -5.015 6.859 1.00 10.00 H new ATOM 0 HB2 PRO A 115 7.943 -5.086 4.487 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.435 -6.140 5.792 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.086 -3.680 4.731 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.371 -5.059 5.542 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.022 -2.537 6.736 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.467 -3.972 7.576 1.00 10.00 H new ATOM 597 N GLN A 116 10.103 -2.569 6.462 1.00 10.00 N ATOM 598 CA GLN A 116 10.634 -1.302 5.992 1.00 10.00 C ATOM 599 C GLN A 116 11.109 -1.399 4.540 1.00 10.00 C ATOM 600 O GLN A 116 10.797 -0.500 3.772 1.00 10.00 O ATOM 601 CB GLN A 116 11.702 -0.720 6.936 1.00 10.00 C ATOM 602 CG GLN A 116 11.226 0.562 7.647 1.00 10.00 C ATOM 603 CD GLN A 116 11.217 1.830 6.784 1.00 10.00 C ATOM 604 OE1 GLN A 116 11.513 2.908 7.288 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.853 1.732 5.511 1.00 10.00 N ATOM 0 H GLN A 116 10.515 -2.916 7.328 1.00 10.00 H new ATOM 0 HA GLN A 116 9.813 -0.585 6.007 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.969 -1.468 7.683 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.605 -0.502 6.367 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.218 0.394 8.026 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.866 0.736 8.512 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.612 0.822 5.118 1.00 10.00 H new ATOM 0 HE22 GLN A 116 10.814 2.567 4.926 1.00 10.00 H new ATOM 614 N GLU A 117 11.786 -2.484 4.159 1.00 10.00 N ATOM 615 CA GLU A 117 12.275 -2.686 2.797 1.00 10.00 C ATOM 616 C GLU A 117 11.145 -2.912 1.813 1.00 10.00 C ATOM 617 O GLU A 117 11.113 -2.300 0.752 1.00 10.00 O ATOM 618 CB GLU A 117 13.229 -3.879 2.764 1.00 10.00 C ATOM 619 CG GLU A 117 14.476 -3.531 3.567 1.00 10.00 C ATOM 620 CD GLU A 117 15.519 -4.636 3.466 1.00 10.00 C ATOM 621 OE1 GLU A 117 16.032 -4.826 2.343 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.766 -5.279 4.508 1.00 10.00 O ATOM 0 H GLU A 117 12.011 -3.251 4.792 1.00 10.00 H new ATOM 0 HA GLU A 117 12.798 -1.778 2.497 1.00 10.00 H new ATOM 0 HB2 GLU A 117 12.745 -4.761 3.182 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.497 -4.120 1.735 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.898 -2.594 3.202 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.208 -3.374 4.612 1.00 10.00 H new ATOM 629 N GLU A 118 10.236 -3.822 2.144 1.00 10.00 N ATOM 630 CA GLU A 118 9.165 -4.203 1.241 1.00 10.00 C ATOM 631 C GLU A 118 8.291 -2.970 0.997 1.00 10.00 C ATOM 632 O GLU A 118 7.953 -2.631 -0.134 1.00 10.00 O ATOM 633 CB GLU A 118 8.431 -5.415 1.843 1.00 10.00 C ATOM 634 CG GLU A 118 8.434 -6.639 0.922 1.00 10.00 C ATOM 635 CD GLU A 118 7.153 -6.731 0.109 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.106 -6.918 0.770 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.239 -6.622 -1.131 1.00 10.00 O ATOM 0 H GLU A 118 10.223 -4.311 3.039 1.00 10.00 H new ATOM 0 HA GLU A 118 9.520 -4.525 0.262 1.00 10.00 H new ATOM 0 HB2 GLU A 118 8.898 -5.680 2.791 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.401 -5.136 2.062 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.290 -6.586 0.249 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.553 -7.544 1.518 1.00 10.00 H new ATOM 644 N LEU A 119 8.005 -2.226 2.067 1.00 10.00 N ATOM 645 CA LEU A 119 7.323 -0.958 1.949 1.00 10.00 C ATOM 646 C LEU A 119 8.172 0.039 1.155 1.00 10.00 C ATOM 647 O LEU A 119 7.682 0.482 0.136 1.00 10.00 O ATOM 648 CB LEU A 119 6.838 -0.453 3.312 1.00 10.00 C ATOM 649 CG LEU A 119 5.437 0.192 3.269 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.341 1.464 2.431 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.328 -0.787 2.876 1.00 10.00 C ATOM 0 H LEU A 119 8.241 -2.490 3.024 1.00 10.00 H new ATOM 0 HA LEU A 119 6.411 -1.090 1.367 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.824 -1.286 4.015 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.553 0.275 3.695 1.00 10.00 H new ATOM 0 HG LEU A 119 5.276 0.491 4.305 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.320 1.843 2.461 1.00 10.00 H new ATOM 0 HD12 LEU A 119 6.020 2.216 2.833 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.615 1.242 1.400 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.370 -0.267 2.866 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.533 -1.190 1.884 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.290 -1.603 3.598 1.00 10.00 H new ATOM 663 N ASP A 120 9.406 0.387 1.546 1.00 10.00 N ATOM 664 CA ASP A 120 10.317 1.289 0.831 1.00 10.00 C ATOM 665 C ASP A 120 10.342 1.008 -0.673 1.00 10.00 C ATOM 666 O ASP A 120 10.235 1.910 -1.504 1.00 10.00 O ATOM 667 CB ASP A 120 11.749 1.228 1.390 1.00 10.00 C ATOM 668 CG ASP A 120 12.000 2.062 2.646 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.070 2.759 3.114 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.148 1.999 3.131 1.00 10.00 O ATOM 0 H ASP A 120 9.814 0.030 2.410 1.00 10.00 H new ATOM 0 HA ASP A 120 9.925 2.294 0.990 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.990 0.188 1.611 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.438 1.557 0.612 1.00 10.00 H new ATOM 675 N ALA A 121 10.480 -0.267 -1.023 1.00 10.00 N ATOM 676 CA ALA A 121 10.422 -0.742 -2.390 1.00 10.00 C ATOM 677 C ALA A 121 9.137 -0.231 -3.053 1.00 10.00 C ATOM 678 O ALA A 121 9.192 0.473 -4.061 1.00 10.00 O ATOM 679 CB ALA A 121 10.545 -2.268 -2.367 1.00 10.00 C ATOM 0 H ALA A 121 10.639 -1.011 -0.344 1.00 10.00 H new ATOM 0 HA ALA A 121 11.244 -0.358 -2.993 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.504 -2.652 -3.386 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.494 -2.550 -1.911 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.724 -2.690 -1.787 1.00 10.00 H new ATOM 685 N MET A 122 7.986 -0.505 -2.436 1.00 10.00 N ATOM 686 CA MET A 122 6.709 0.022 -2.877 1.00 10.00 C ATOM 687 C MET A 122 6.590 1.548 -2.725 1.00 10.00 C ATOM 688 O MET A 122 5.855 2.160 -3.492 1.00 10.00 O ATOM 689 CB MET A 122 5.579 -0.685 -2.122 1.00 10.00 C ATOM 690 CG MET A 122 5.142 -1.983 -2.816 1.00 10.00 C ATOM 691 SD MET A 122 6.260 -3.390 -2.612 1.00 10.00 S ATOM 692 CE MET A 122 5.492 -4.554 -3.754 1.00 10.00 C ATOM 0 H MET A 122 7.922 -1.103 -1.612 1.00 10.00 H new ATOM 0 HA MET A 122 6.631 -0.177 -3.946 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.907 -0.910 -1.107 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.724 -0.014 -2.039 1.00 10.00 H new ATOM 0 HG2 MET A 122 4.160 -2.264 -2.437 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.027 -1.784 -3.882 1.00 10.00 H new ATOM 0 HE1 MET A 122 6.056 -5.487 -3.756 1.00 10.00 H new ATOM 0 HE2 MET A 122 4.467 -4.750 -3.439 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.488 -4.130 -4.758 1.00 10.00 H new ATOM 702 N ILE A 123 7.268 2.188 -1.764 1.00 10.00 N ATOM 703 CA ILE A 123 7.190 3.626 -1.527 1.00 10.00 C ATOM 704 C ILE A 123 7.548 4.317 -2.842 1.00 10.00 C ATOM 705 O ILE A 123 6.887 5.266 -3.253 1.00 10.00 O ATOM 706 CB ILE A 123 8.089 4.101 -0.357 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.411 3.826 0.991 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.433 5.597 -0.474 1.00 10.00 C ATOM 709 CD1 ILE A 123 8.221 4.318 2.197 1.00 10.00 C ATOM 0 H ILE A 123 7.896 1.708 -1.120 1.00 10.00 H new ATOM 0 HA ILE A 123 6.180 3.890 -1.215 1.00 10.00 H new ATOM 0 HB ILE A 123 9.019 3.535 -0.413 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.432 4.306 1.001 1.00 10.00 H new ATOM 0 HG13 ILE A 123 7.241 2.754 1.091 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.064 5.892 0.364 1.00 10.00 H new ATOM 0 HG22 ILE A 123 8.964 5.776 -1.409 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.514 6.184 -0.460 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.681 4.090 3.116 1.00 10.00 H new ATOM 0 HD12 ILE A 123 9.190 3.819 2.212 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.369 5.395 2.121 1.00 10.00 H new ATOM 721 N ARG A 124 8.593 3.821 -3.510 1.00 10.00 N ATOM 722 CA ARG A 124 9.025 4.395 -4.771 1.00 10.00 C ATOM 723 C ARG A 124 7.959 4.252 -5.861 1.00 10.00 C ATOM 724 O ARG A 124 7.791 5.160 -6.666 1.00 10.00 O ATOM 725 CB ARG A 124 10.370 3.796 -5.192 1.00 10.00 C ATOM 726 CG ARG A 124 10.965 4.651 -6.319 1.00 10.00 C ATOM 727 CD ARG A 124 12.468 4.419 -6.484 1.00 10.00 C ATOM 728 NE ARG A 124 13.061 5.539 -7.232 1.00 10.00 N ATOM 729 CZ ARG A 124 14.357 5.882 -7.204 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.251 5.052 -6.656 1.00 10.00 N ATOM 731 NH2 ARG A 124 14.747 7.055 -7.715 1.00 10.00 N ATOM 0 H ARG A 124 9.149 3.026 -3.194 1.00 10.00 H new ATOM 0 HA ARG A 124 9.166 5.466 -4.628 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.052 3.766 -4.342 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.236 2.768 -5.529 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.458 4.420 -7.256 1.00 10.00 H new ATOM 0 HG3 ARG A 124 10.782 5.705 -6.109 1.00 10.00 H new ATOM 0 HD2 ARG A 124 12.942 4.330 -5.506 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.646 3.482 -7.011 1.00 10.00 H new ATOM 0 HE ARG A 124 12.439 6.097 -7.816 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.946 4.162 -6.262 1.00 10.00 H new ATOM 0 HH12 ARG A 124 16.238 5.309 -6.633 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.059 7.687 -8.125 1.00 10.00 H new ATOM 0 HH22 ARG A 124 15.732 7.318 -7.695 1.00 10.00 H new ATOM 745 N GLU A 125 7.253 3.120 -5.895 1.00 10.00 N ATOM 746 CA GLU A 125 6.155 2.893 -6.828 1.00 10.00 C ATOM 747 C GLU A 125 4.935 3.745 -6.448 1.00 10.00 C ATOM 748 O GLU A 125 4.137 4.136 -7.297 1.00 10.00 O ATOM 749 CB GLU A 125 5.808 1.399 -6.830 1.00 10.00 C ATOM 750 CG GLU A 125 7.020 0.529 -7.197 1.00 10.00 C ATOM 751 CD GLU A 125 6.674 -0.954 -7.192 1.00 10.00 C ATOM 752 OE1 GLU A 125 5.975 -1.376 -6.245 1.00 10.00 O ATOM 753 OE2 GLU A 125 7.140 -1.638 -8.128 1.00 10.00 O ATOM 0 H GLU A 125 7.430 2.333 -5.271 1.00 10.00 H new ATOM 0 HA GLU A 125 6.458 3.192 -7.831 1.00 10.00 H new ATOM 0 HB2 GLU A 125 5.439 1.111 -5.846 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.001 1.215 -7.539 1.00 10.00 H new ATOM 0 HG2 GLU A 125 7.386 0.813 -8.183 1.00 10.00 H new ATOM 0 HG3 GLU A 125 7.829 0.716 -6.491 1.00 10.00 H new ATOM 760 N ALA A 126 4.774 4.024 -5.154 1.00 10.00 N ATOM 761 CA ALA A 126 3.683 4.794 -4.581 1.00 10.00 C ATOM 762 C ALA A 126 3.884 6.301 -4.788 1.00 10.00 C ATOM 763 O ALA A 126 3.685 7.076 -3.853 1.00 10.00 O ATOM 764 CB ALA A 126 3.595 4.443 -3.086 1.00 10.00 C ATOM 0 H ALA A 126 5.436 3.701 -4.448 1.00 10.00 H new ATOM 0 HA ALA A 126 2.749 4.540 -5.082 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.783 5.007 -2.627 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.405 3.376 -2.973 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.535 4.697 -2.597 1.00 10.00 H new ATOM 770 N ASP A 127 4.241 6.734 -6.003 1.00 10.00 N ATOM 771 CA ASP A 127 4.585 8.121 -6.297 1.00 10.00 C ATOM 772 C ASP A 127 3.599 8.769 -7.277 1.00 10.00 C ATOM 773 O ASP A 127 3.959 9.708 -7.983 1.00 10.00 O ATOM 774 CB ASP A 127 6.026 8.186 -6.822 1.00 10.00 C ATOM 775 CG ASP A 127 6.195 7.598 -8.220 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.338 6.769 -8.601 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.183 7.988 -8.881 1.00 10.00 O ATOM 0 H ASP A 127 4.298 6.120 -6.816 1.00 10.00 H new ATOM 0 HA ASP A 127 4.514 8.696 -5.374 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.353 9.226 -6.832 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.680 7.653 -6.131 1.00 10.00 H new ATOM 782 N VAL A 128 2.345 8.303 -7.281 1.00 10.00 N ATOM 783 CA VAL A 128 1.301 8.750 -8.205 1.00 10.00 C ATOM 784 C VAL A 128 1.213 10.277 -8.256 1.00 10.00 C ATOM 785 O VAL A 128 1.250 10.843 -9.348 1.00 10.00 O ATOM 786 CB VAL A 128 -0.050 8.100 -7.856 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.240 8.751 -8.572 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.017 6.604 -8.194 1.00 10.00 C ATOM 0 H VAL A 128 2.023 7.589 -6.627 1.00 10.00 H new ATOM 0 HA VAL A 128 1.571 8.421 -9.208 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.194 8.250 -6.786 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.161 8.245 -8.281 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.301 9.803 -8.294 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.105 8.668 -9.650 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.977 6.153 -7.943 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.177 6.476 -9.259 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.772 6.119 -7.620 1.00 10.00 H new ATOM 798 N ASP A 129 1.095 10.944 -7.099 1.00 10.00 N ATOM 799 CA ASP A 129 1.180 12.403 -7.083 1.00 10.00 C ATOM 800 C ASP A 129 2.623 12.816 -7.391 1.00 10.00 C ATOM 801 O ASP A 129 2.948 13.198 -8.512 1.00 10.00 O ATOM 802 CB ASP A 129 0.734 12.995 -5.730 1.00 10.00 C ATOM 803 CG ASP A 129 -0.773 13.137 -5.544 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.529 12.685 -6.427 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.135 13.712 -4.493 1.00 10.00 O ATOM 0 H ASP A 129 0.945 10.508 -6.189 1.00 10.00 H new ATOM 0 HA ASP A 129 0.502 12.796 -7.841 1.00 10.00 H new ATOM 0 HB2 ASP A 129 1.124 12.365 -4.931 1.00 10.00 H new ATOM 0 HB3 ASP A 129 1.192 13.977 -5.614 1.00 10.00 H new ATOM 810 N GLN A 130 3.456 12.807 -6.345 1.00 10.00 N ATOM 811 CA GLN A 130 4.824 13.322 -6.305 1.00 10.00 C ATOM 812 C GLN A 130 5.304 13.350 -4.843 1.00 10.00 C ATOM 813 O GLN A 130 5.948 14.309 -4.422 1.00 10.00 O ATOM 814 CB GLN A 130 4.897 14.739 -6.920 1.00 10.00 C ATOM 815 CG GLN A 130 3.775 15.648 -6.384 1.00 10.00 C ATOM 816 CD GLN A 130 4.100 17.136 -6.447 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.057 17.565 -7.083 1.00 10.00 O ATOM 818 NE2 GLN A 130 3.290 17.950 -5.774 1.00 10.00 N ATOM 0 H GLN A 130 3.172 12.414 -5.448 1.00 10.00 H new ATOM 0 HA GLN A 130 5.470 12.670 -6.893 1.00 10.00 H new ATOM 0 HB2 GLN A 130 5.866 15.185 -6.695 1.00 10.00 H new ATOM 0 HB3 GLN A 130 4.823 14.670 -8.005 1.00 10.00 H new ATOM 0 HG2 GLN A 130 2.866 15.461 -6.955 1.00 10.00 H new ATOM 0 HG3 GLN A 130 3.564 15.376 -5.350 1.00 10.00 H new ATOM 0 HE21 GLN A 130 2.501 17.568 -5.253 1.00 10.00 H new ATOM 0 HE22 GLN A 130 3.458 18.956 -5.779 1.00 10.00 H new ATOM 827 N ASP A 131 4.935 12.342 -4.043 1.00 10.00 N ATOM 828 CA ASP A 131 5.075 12.402 -2.589 1.00 10.00 C ATOM 829 C ASP A 131 4.859 11.003 -1.994 1.00 10.00 C ATOM 830 O ASP A 131 5.804 10.223 -1.914 1.00 10.00 O ATOM 831 CB ASP A 131 4.090 13.467 -2.068 1.00 10.00 C ATOM 832 CG ASP A 131 3.764 13.338 -0.595 1.00 10.00 C ATOM 833 OD1 ASP A 131 4.573 13.776 0.243 1.00 10.00 O ATOM 834 OD2 ASP A 131 2.650 12.818 -0.354 1.00 10.00 O ATOM 0 H ASP A 131 4.534 11.469 -4.386 1.00 10.00 H new ATOM 0 HA ASP A 131 6.077 12.701 -2.281 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.510 14.456 -2.251 1.00 10.00 H new ATOM 0 HB3 ASP A 131 3.165 13.403 -2.641 1.00 10.00 H new ATOM 839 N GLY A 132 3.620 10.656 -1.641 1.00 10.00 N ATOM 840 CA GLY A 132 3.265 9.356 -1.092 1.00 10.00 C ATOM 841 C GLY A 132 1.751 9.167 -1.122 1.00 10.00 C ATOM 842 O GLY A 132 1.181 8.507 -0.254 1.00 10.00 O ATOM 0 H GLY A 132 2.823 11.286 -1.732 1.00 10.00 H new ATOM 0 HA2 GLY A 132 3.749 8.566 -1.666 1.00 10.00 H new ATOM 0 HA3 GLY A 132 3.629 9.274 -0.068 1.00 10.00 H new ATOM 846 N ARG A 133 1.104 9.754 -2.132 1.00 10.00 N ATOM 847 CA ARG A 133 -0.286 9.504 -2.470 1.00 10.00 C ATOM 848 C ARG A 133 -0.290 8.443 -3.560 1.00 10.00 C ATOM 849 O ARG A 133 0.470 8.566 -4.520 1.00 10.00 O ATOM 850 CB ARG A 133 -0.949 10.778 -3.007 1.00 10.00 C ATOM 851 CG ARG A 133 -1.499 11.719 -1.933 1.00 10.00 C ATOM 852 CD ARG A 133 -0.405 12.566 -1.281 1.00 10.00 C ATOM 853 NE ARG A 133 -1.007 13.552 -0.369 1.00 10.00 N ATOM 854 CZ ARG A 133 -0.395 14.656 0.085 1.00 10.00 C ATOM 855 NH1 ARG A 133 0.926 14.785 -0.026 1.00 10.00 N ATOM 856 NH2 ARG A 133 -1.114 15.630 0.654 1.00 10.00 N ATOM 0 H ARG A 133 1.550 10.433 -2.749 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.838 9.181 -1.588 1.00 10.00 H new ATOM 0 HB2 ARG A 133 -0.222 11.323 -3.609 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.764 10.493 -3.672 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -2.246 12.376 -2.378 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -2.006 11.133 -1.166 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.284 11.924 -0.732 1.00 10.00 H new ATOM 0 HD3 ARG A 133 0.177 13.076 -2.048 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.964 13.383 -0.058 1.00 10.00 H new ATOM 0 HH11 ARG A 133 1.476 14.043 -0.458 1.00 10.00 H new ATOM 0 HH12 ARG A 133 1.387 15.626 0.321 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.125 15.532 0.742 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -0.651 16.470 1.000 1.00 10.00 H new ATOM 870 N VAL A 134 -1.136 7.420 -3.409 1.00 10.00 N ATOM 871 CA VAL A 134 -1.367 6.396 -4.411 1.00 10.00 C ATOM 872 C VAL A 134 -2.861 6.173 -4.539 1.00 10.00 C ATOM 873 O VAL A 134 -3.544 6.077 -3.516 1.00 10.00 O ATOM 874 CB VAL A 134 -0.715 5.074 -3.999 1.00 10.00 C ATOM 875 CG1 VAL A 134 -0.520 4.180 -5.221 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.621 5.309 -3.318 1.00 10.00 C ATOM 0 H VAL A 134 -1.689 7.285 -2.563 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.935 6.726 -5.356 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.379 4.580 -3.290 1.00 10.00 H new ATOM 0 HG11 VAL A 134 -0.055 3.242 -4.916 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -1.487 3.973 -5.679 1.00 10.00 H new ATOM 0 HG13 VAL A 134 0.122 4.685 -5.942 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.060 4.351 -3.037 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.292 5.829 -4.002 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.472 5.916 -2.425 1.00 10.00 H new ATOM 886 N ASN A 135 -3.351 6.042 -5.774 1.00 10.00 N ATOM 887 CA ASN A 135 -4.713 5.596 -5.996 1.00 10.00 C ATOM 888 C ASN A 135 -4.855 4.199 -5.383 1.00 10.00 C ATOM 889 O ASN A 135 -4.125 3.285 -5.768 1.00 10.00 O ATOM 890 CB ASN A 135 -5.083 5.618 -7.491 1.00 10.00 C ATOM 891 CG ASN A 135 -6.137 6.680 -7.801 1.00 10.00 C ATOM 892 OD1 ASN A 135 -5.992 7.837 -7.420 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.211 6.307 -8.483 1.00 10.00 N ATOM 0 H ASN A 135 -2.823 6.239 -6.625 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.414 6.278 -5.514 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.189 5.810 -8.084 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.457 4.638 -7.787 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.938 6.988 -8.701 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -7.310 5.339 -8.789 1.00 10.00 H new ATOM 900 N TYR A 136 -5.755 4.044 -4.407 1.00 10.00 N ATOM 901 CA TYR A 136 -5.952 2.826 -3.624 1.00 10.00 C ATOM 902 C TYR A 136 -5.956 1.567 -4.510 1.00 10.00 C ATOM 903 O TYR A 136 -5.290 0.589 -4.179 1.00 10.00 O ATOM 904 CB TYR A 136 -7.144 2.998 -2.673 1.00 10.00 C ATOM 905 CG TYR A 136 -7.904 1.730 -2.378 1.00 10.00 C ATOM 906 CD1 TYR A 136 -8.715 1.186 -3.380 1.00 10.00 C ATOM 907 CD2 TYR A 136 -7.715 1.025 -1.180 1.00 10.00 C ATOM 908 CE1 TYR A 136 -9.224 -0.110 -3.256 1.00 10.00 C ATOM 909 CE2 TYR A 136 -8.341 -0.220 -1.007 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.050 -0.817 -2.059 1.00 10.00 C ATOM 911 OH TYR A 136 -9.560 -2.073 -1.913 1.00 10.00 O ATOM 0 H TYR A 136 -6.389 4.794 -4.132 1.00 10.00 H new ATOM 0 HA TYR A 136 -5.096 2.656 -2.971 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.784 3.416 -1.733 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.832 3.726 -3.103 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -8.950 1.772 -4.256 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -7.094 1.436 -0.398 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -9.751 -0.566 -4.082 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -8.276 -0.723 -0.054 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.343 -2.412 -1.020 1.00 10.00 H new ATOM 921 N GLU A 137 -6.692 1.588 -5.630 1.00 10.00 N ATOM 922 CA GLU A 137 -6.791 0.427 -6.507 1.00 10.00 C ATOM 923 C GLU A 137 -5.514 0.335 -7.342 1.00 10.00 C ATOM 924 O GLU A 137 -4.775 -0.643 -7.247 1.00 10.00 O ATOM 925 CB GLU A 137 -8.061 0.504 -7.375 1.00 10.00 C ATOM 926 CG GLU A 137 -8.619 -0.890 -7.707 1.00 10.00 C ATOM 927 CD GLU A 137 -7.609 -1.804 -8.391 1.00 10.00 C ATOM 928 OE1 GLU A 137 -7.084 -1.376 -9.442 1.00 10.00 O ATOM 929 OE2 GLU A 137 -7.383 -2.905 -7.839 1.00 10.00 O ATOM 0 H GLU A 137 -7.225 2.399 -5.945 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.882 -0.485 -5.917 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.822 1.084 -6.853 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.836 1.034 -8.301 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.961 -1.364 -6.787 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.491 -0.779 -8.351 1.00 10.00 H new ATOM 936 N GLU A 138 -5.236 1.397 -8.111 1.00 10.00 N ATOM 937 CA GLU A 138 -4.099 1.504 -9.019 1.00 10.00 C ATOM 938 C GLU A 138 -2.805 1.000 -8.370 1.00 10.00 C ATOM 939 O GLU A 138 -2.001 0.343 -9.032 1.00 10.00 O ATOM 940 CB GLU A 138 -3.967 2.956 -9.500 1.00 10.00 C ATOM 941 CG GLU A 138 -3.132 3.075 -10.781 1.00 10.00 C ATOM 942 CD GLU A 138 -2.940 4.534 -11.173 1.00 10.00 C ATOM 943 OE1 GLU A 138 -2.468 5.292 -10.299 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.268 4.857 -12.334 1.00 10.00 O ATOM 0 H GLU A 138 -5.822 2.232 -8.114 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.277 0.863 -9.883 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.960 3.369 -9.678 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.508 3.556 -8.714 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.160 2.604 -10.631 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.625 2.539 -11.592 1.00 10.00 H new ATOM 951 N PHE A 139 -2.623 1.258 -7.068 1.00 10.00 N ATOM 952 CA PHE A 139 -1.540 0.680 -6.282 1.00 10.00 C ATOM 953 C PHE A 139 -1.272 -0.773 -6.651 1.00 10.00 C ATOM 954 O PHE A 139 -0.146 -1.141 -6.973 1.00 10.00 O ATOM 955 CB PHE A 139 -1.821 0.774 -4.774 1.00 10.00 C ATOM 956 CG PHE A 139 -0.603 0.408 -3.940 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.070 -0.900 -3.966 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.053 1.397 -3.187 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.157 -1.177 -3.351 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.313 1.137 -2.628 1.00 10.00 C ATOM 961 CZ PHE A 139 1.834 -0.163 -2.666 1.00 10.00 C ATOM 0 H PHE A 139 -3.230 1.878 -6.533 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.653 1.267 -6.518 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -2.137 1.788 -4.527 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.647 0.111 -4.518 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.612 -1.691 -4.463 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.414 2.359 -3.038 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.579 -2.170 -3.405 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.879 1.935 -2.171 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.764 -0.383 -2.163 1.00 10.00 H new ATOM 971 N ALA A 140 -2.296 -1.616 -6.552 1.00 10.00 N ATOM 972 CA ALA A 140 -2.187 -3.048 -6.765 1.00 10.00 C ATOM 973 C ALA A 140 -1.516 -3.339 -8.115 1.00 10.00 C ATOM 974 O ALA A 140 -0.672 -4.230 -8.240 1.00 10.00 O ATOM 975 CB ALA A 140 -3.603 -3.612 -6.733 1.00 10.00 C ATOM 0 H ALA A 140 -3.241 -1.313 -6.317 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.572 -3.511 -5.993 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.569 -4.690 -6.890 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.057 -3.400 -5.765 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.197 -3.150 -7.521 1.00 10.00 H new ATOM 981 N ARG A 141 -1.887 -2.537 -9.116 1.00 10.00 N ATOM 982 CA ARG A 141 -1.341 -2.574 -10.461 1.00 10.00 C ATOM 983 C ARG A 141 0.173 -2.341 -10.437 1.00 10.00 C ATOM 984 O ARG A 141 0.894 -2.955 -11.217 1.00 10.00 O ATOM 985 CB ARG A 141 -2.069 -1.522 -11.317 1.00 10.00 C ATOM 986 CG ARG A 141 -2.427 -2.036 -12.713 1.00 10.00 C ATOM 987 CD ARG A 141 -3.260 -0.972 -13.443 1.00 10.00 C ATOM 988 NE ARG A 141 -3.951 -1.528 -14.617 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.382 -1.808 -15.799 1.00 10.00 C ATOM 990 NH1 ARG A 141 -2.080 -1.568 -15.985 1.00 10.00 N ATOM 991 NH2 ARG A 141 -4.121 -2.328 -16.787 1.00 10.00 N ATOM 0 H ARG A 141 -2.603 -1.820 -9.000 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.500 -3.558 -10.902 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -2.980 -1.211 -10.805 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.439 -0.638 -11.411 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.520 -2.255 -13.277 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -2.989 -2.967 -12.638 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.993 -0.550 -12.756 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -2.611 -0.155 -13.757 1.00 10.00 H new ATOM 0 HE ARG A 141 -4.949 -1.717 -14.524 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -1.521 -1.173 -15.229 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -1.645 -1.780 -16.883 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -5.114 -2.510 -16.640 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -3.691 -2.542 -17.687 1.00 10.00 H new ATOM 1005 N MET A 142 0.655 -1.454 -9.560 1.00 10.00 N ATOM 1006 CA MET A 142 2.080 -1.198 -9.405 1.00 10.00 C ATOM 1007 C MET A 142 2.765 -2.235 -8.509 1.00 10.00 C ATOM 1008 O MET A 142 3.875 -2.633 -8.837 1.00 10.00 O ATOM 1009 CB MET A 142 2.360 0.206 -8.880 1.00 10.00 C ATOM 1010 CG MET A 142 1.745 1.347 -9.701 1.00 10.00 C ATOM 1011 SD MET A 142 2.437 1.563 -11.361 1.00 10.00 S ATOM 1012 CE MET A 142 1.653 3.123 -11.824 1.00 10.00 C ATOM 0 H MET A 142 0.065 -0.897 -8.942 1.00 10.00 H new ATOM 0 HA MET A 142 2.503 -1.281 -10.406 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.988 0.275 -7.858 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.439 0.352 -8.837 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.673 1.171 -9.792 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.870 2.279 -9.149 1.00 10.00 H new ATOM 0 HE1 MET A 142 1.971 3.407 -12.827 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.570 3.005 -11.807 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.944 3.900 -11.118 1.00 10.00 H new ATOM 1022 N LEU A 143 2.132 -2.691 -7.410 1.00 10.00 N ATOM 1023 CA LEU A 143 2.582 -3.831 -6.621 1.00 10.00 C ATOM 1024 C LEU A 143 3.073 -4.894 -7.606 1.00 10.00 C ATOM 1025 O LEU A 143 4.216 -5.346 -7.564 1.00 10.00 O ATOM 1026 CB LEU A 143 1.440 -4.316 -5.706 1.00 10.00 C ATOM 1027 CG LEU A 143 1.357 -5.838 -5.616 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.532 -6.375 -4.806 1.00 10.00 C ATOM 1029 CD2 LEU A 143 0.041 -6.178 -4.970 1.00 10.00 C ATOM 0 H LEU A 143 1.280 -2.263 -7.048 1.00 10.00 H new ATOM 0 HA LEU A 143 3.404 -3.575 -5.953 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.583 -3.905 -4.707 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.492 -3.927 -6.078 1.00 10.00 H new ATOM 0 HG LEU A 143 1.411 -6.297 -6.603 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.466 -7.461 -4.746 1.00 10.00 H new ATOM 0 HD12 LEU A 143 3.467 -6.094 -5.291 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.504 -5.954 -3.801 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -0.055 -7.261 -4.888 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.002 -5.734 -3.976 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -0.775 -5.786 -5.578 1.00 10.00 H new ATOM 1041 N ALA A 144 2.181 -5.277 -8.518 1.00 10.00 N ATOM 1042 CA ALA A 144 2.474 -6.304 -9.492 1.00 10.00 C ATOM 1043 C ALA A 144 2.909 -5.656 -10.791 1.00 10.00 C ATOM 1044 O ALA A 144 2.213 -5.674 -11.803 1.00 10.00 O ATOM 1045 CB ALA A 144 1.273 -7.189 -9.665 1.00 10.00 C ATOM 0 H ALA A 144 1.244 -4.882 -8.595 1.00 10.00 H new ATOM 0 HA ALA A 144 3.295 -6.934 -9.149 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.494 -7.963 -10.400 1.00 10.00 H new ATOM 0 HB2 ALA A 144 1.023 -7.654 -8.711 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.428 -6.593 -10.010 1.00 10.00 H new