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 Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -0.483 K(o=-0.48,f=-2.2) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 152:sc= -0.69 (180deg=-2.95!) USER MOD Single : A 112 GLN : amide:sc= 1.22 K(o=1.2,f=-1.1) USER MOD Single : A 116 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 135 ASN : amide:sc=-0.00502 K(o=-0.005,f=-1.1) USER MOD Single : A 136 TYR OH : rot 164:sc= 1.2 USER MOD Single : A 142 MET CE :methyl -140:sc= -0.815 (180deg=-3.75!) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.673 -14.278 -2.747 1.00 10.00 N ATOM 38 CA ALA A 78 -0.671 -13.193 -1.803 1.00 10.00 C ATOM 39 C ALA A 78 -0.571 -11.944 -2.645 1.00 10.00 C ATOM 40 O ALA A 78 -1.606 -11.461 -3.072 1.00 10.00 O ATOM 41 CB ALA A 78 0.570 -13.329 -0.924 1.00 10.00 C ATOM 0 HA ALA A 78 -1.552 -13.177 -1.162 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.593 -12.516 -0.199 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.541 -14.283 -0.398 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.464 -13.285 -1.547 1.00 10.00 H new ATOM 47 N GLY A 79 0.656 -11.484 -2.934 1.00 10.00 N ATOM 48 CA GLY A 79 0.968 -10.285 -3.690 1.00 10.00 C ATOM 49 C GLY A 79 -0.232 -9.353 -3.751 1.00 10.00 C ATOM 50 O GLY A 79 -0.582 -8.697 -2.781 1.00 10.00 O ATOM 0 H GLY A 79 1.496 -11.973 -2.625 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.811 -9.769 -3.230 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.274 -10.557 -4.700 1.00 10.00 H new ATOM 54 N LEU A 80 -0.932 -9.379 -4.874 1.00 10.00 N ATOM 55 CA LEU A 80 -2.080 -8.535 -5.104 1.00 10.00 C ATOM 56 C LEU A 80 -3.195 -8.673 -4.064 1.00 10.00 C ATOM 57 O LEU A 80 -3.678 -7.672 -3.542 1.00 10.00 O ATOM 58 CB LEU A 80 -2.478 -8.767 -6.563 1.00 10.00 C ATOM 59 CG LEU A 80 -3.611 -7.901 -7.112 1.00 10.00 C ATOM 60 CD1 LEU A 80 -3.634 -8.116 -8.627 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.947 -8.347 -6.521 1.00 10.00 C ATOM 0 H LEU A 80 -0.712 -9.996 -5.656 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.834 -7.483 -4.958 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.597 -8.609 -7.185 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.764 -9.813 -6.675 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.456 -6.853 -6.856 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -4.430 -7.516 -9.068 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.676 -7.816 -9.052 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.812 -9.170 -8.842 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.747 -7.723 -6.919 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.133 -9.388 -6.786 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.916 -8.249 -5.436 1.00 10.00 H new ATOM 73 N GLU A 81 -3.588 -9.897 -3.746 1.00 10.00 N ATOM 74 CA GLU A 81 -4.615 -10.199 -2.759 1.00 10.00 C ATOM 75 C GLU A 81 -4.174 -9.691 -1.383 1.00 10.00 C ATOM 76 O GLU A 81 -4.901 -8.948 -0.723 1.00 10.00 O ATOM 77 CB GLU A 81 -4.869 -11.715 -2.765 1.00 10.00 C ATOM 78 CG GLU A 81 -6.087 -12.133 -1.936 1.00 10.00 C ATOM 79 CD GLU A 81 -6.342 -13.629 -2.080 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.972 -13.998 -3.094 1.00 10.00 O ATOM 81 OE2 GLU A 81 -5.889 -14.377 -1.187 1.00 10.00 O ATOM 0 H GLU A 81 -3.191 -10.731 -4.179 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.550 -9.694 -3.004 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.008 -12.048 -3.794 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -3.986 -12.225 -2.381 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -5.923 -11.885 -0.887 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -6.965 -11.575 -2.262 1.00 10.00 H new ATOM 88 N ASP A 82 -2.956 -10.060 -0.975 1.00 10.00 N ATOM 89 CA ASP A 82 -2.387 -9.688 0.318 1.00 10.00 C ATOM 90 C ASP A 82 -2.391 -8.175 0.432 1.00 10.00 C ATOM 91 O ASP A 82 -2.894 -7.598 1.390 1.00 10.00 O ATOM 92 CB ASP A 82 -0.941 -10.195 0.461 1.00 10.00 C ATOM 93 CG ASP A 82 -0.826 -11.498 1.240 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.788 -12.290 1.193 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.254 -11.699 1.833 1.00 10.00 O ATOM 0 H ASP A 82 -2.332 -10.633 -1.543 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.988 -10.142 1.106 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.515 -10.336 -0.532 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.344 -9.430 0.958 1.00 10.00 H new ATOM 100 N LEU A 83 -1.815 -7.522 -0.565 1.00 10.00 N ATOM 101 CA LEU A 83 -1.730 -6.088 -0.620 1.00 10.00 C ATOM 102 C LEU A 83 -3.128 -5.460 -0.638 1.00 10.00 C ATOM 103 O LEU A 83 -3.361 -4.490 0.067 1.00 10.00 O ATOM 104 CB LEU A 83 -0.877 -5.716 -1.823 1.00 10.00 C ATOM 105 CG LEU A 83 0.647 -5.835 -1.594 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.151 -4.784 -0.607 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.286 -7.172 -1.196 1.00 10.00 C ATOM 0 H LEU A 83 -1.390 -7.989 -1.366 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.251 -5.687 0.273 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.156 -6.355 -2.661 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.108 -4.691 -2.113 1.00 10.00 H new ATOM 0 HG LEU A 83 0.973 -5.690 -2.624 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.226 -4.899 -0.471 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.939 -3.788 -0.996 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.648 -4.914 0.351 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.362 -7.042 -1.085 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.862 -7.511 -0.251 1.00 10.00 H new ATOM 0 HD23 LEU A 83 1.088 -7.914 -1.969 1.00 10.00 H new ATOM 119 N GLN A 84 -4.097 -5.984 -1.386 1.00 10.00 N ATOM 120 CA GLN A 84 -5.458 -5.452 -1.342 1.00 10.00 C ATOM 121 C GLN A 84 -6.053 -5.592 0.063 1.00 10.00 C ATOM 122 O GLN A 84 -6.691 -4.663 0.553 1.00 10.00 O ATOM 123 CB GLN A 84 -6.311 -6.111 -2.434 1.00 10.00 C ATOM 124 CG GLN A 84 -7.636 -5.362 -2.653 1.00 10.00 C ATOM 125 CD GLN A 84 -7.956 -5.221 -4.140 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.085 -6.215 -4.848 1.00 10.00 O ATOM 127 NE2 GLN A 84 -8.071 -3.991 -4.635 1.00 10.00 N ATOM 0 H GLN A 84 -3.968 -6.769 -2.024 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.442 -4.383 -1.554 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.749 -6.137 -3.368 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.519 -7.145 -2.158 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.445 -5.896 -2.154 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.577 -4.374 -2.196 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.959 -3.183 -4.023 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -8.271 -3.857 -5.626 1.00 10.00 H new ATOM 136 N VAL A 85 -5.807 -6.710 0.750 1.00 10.00 N ATOM 137 CA VAL A 85 -6.153 -6.872 2.141 1.00 10.00 C ATOM 138 C VAL A 85 -5.410 -5.820 2.988 1.00 10.00 C ATOM 139 O VAL A 85 -6.011 -5.242 3.893 1.00 10.00 O ATOM 140 CB VAL A 85 -5.875 -8.341 2.501 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.683 -8.531 3.993 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.000 -9.245 1.983 1.00 10.00 C ATOM 0 H VAL A 85 -5.357 -7.529 0.341 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.206 -6.685 2.352 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.943 -8.625 2.013 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.489 -9.583 4.204 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -4.838 -7.931 4.330 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.584 -8.216 4.519 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.786 -10.280 2.247 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.946 -8.944 2.434 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.070 -9.154 0.899 1.00 10.00 H new ATOM 152 N ALA A 86 -4.137 -5.536 2.676 1.00 10.00 N ATOM 153 CA ALA A 86 -3.354 -4.469 3.295 1.00 10.00 C ATOM 154 C ALA A 86 -4.138 -3.160 3.207 1.00 10.00 C ATOM 155 O ALA A 86 -4.512 -2.563 4.216 1.00 10.00 O ATOM 156 CB ALA A 86 -1.948 -4.343 2.656 1.00 10.00 C ATOM 0 H ALA A 86 -3.616 -6.056 1.970 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.188 -4.713 4.344 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.397 -3.539 3.144 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.407 -5.281 2.780 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.050 -4.121 1.594 1.00 10.00 H new ATOM 162 N PHE A 87 -4.425 -2.745 1.973 1.00 10.00 N ATOM 163 CA PHE A 87 -5.212 -1.569 1.659 1.00 10.00 C ATOM 164 C PHE A 87 -6.504 -1.533 2.458 1.00 10.00 C ATOM 165 O PHE A 87 -6.783 -0.524 3.101 1.00 10.00 O ATOM 166 CB PHE A 87 -5.467 -1.507 0.145 1.00 10.00 C ATOM 167 CG PHE A 87 -4.252 -1.022 -0.616 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.696 0.220 -0.268 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.475 -1.936 -1.346 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.352 0.496 -0.554 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.091 -1.741 -1.445 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.539 -0.504 -1.098 1.00 10.00 C ATOM 0 H PHE A 87 -4.102 -3.240 1.142 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.650 -0.681 1.948 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.750 -2.496 -0.216 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.308 -0.843 -0.054 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.306 0.965 0.222 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.941 -2.783 -1.828 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.946 1.477 -0.355 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -1.453 -2.543 -1.788 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.486 -0.321 -1.250 1.00 10.00 H new ATOM 182 N ARG A 88 -7.271 -2.625 2.442 1.00 10.00 N ATOM 183 CA ARG A 88 -8.595 -2.698 3.050 1.00 10.00 C ATOM 184 C ARG A 88 -8.622 -2.161 4.488 1.00 10.00 C ATOM 185 O ARG A 88 -9.639 -1.621 4.914 1.00 10.00 O ATOM 186 CB ARG A 88 -9.146 -4.131 2.927 1.00 10.00 C ATOM 187 CG ARG A 88 -10.683 -4.203 2.887 1.00 10.00 C ATOM 188 CD ARG A 88 -11.349 -4.344 4.260 1.00 10.00 C ATOM 189 NE ARG A 88 -11.038 -5.640 4.880 1.00 10.00 N ATOM 190 CZ ARG A 88 -11.415 -6.001 6.117 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.037 -5.117 6.906 1.00 10.00 N ATOM 192 NH2 ARG A 88 -11.176 -7.242 6.553 1.00 10.00 N ATOM 0 H ARG A 88 -6.982 -3.497 1.998 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.261 -2.034 2.499 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.746 -4.588 2.022 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.785 -4.723 3.768 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.064 -3.303 2.403 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.978 -5.048 2.266 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.014 -3.538 4.912 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -12.429 -4.240 4.154 1.00 10.00 H new ATOM 0 HE ARG A 88 -10.499 -6.311 4.333 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.223 -4.173 6.567 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -12.325 -5.387 7.846 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -10.707 -7.914 5.946 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -11.462 -7.516 7.493 1.00 10.00 H new ATOM 206 N ALA A 89 -7.523 -2.274 5.243 1.00 10.00 N ATOM 207 CA ALA A 89 -7.437 -1.669 6.569 1.00 10.00 C ATOM 208 C ALA A 89 -7.721 -0.156 6.532 1.00 10.00 C ATOM 209 O ALA A 89 -8.516 0.340 7.327 1.00 10.00 O ATOM 210 CB ALA A 89 -6.070 -1.977 7.182 1.00 10.00 C ATOM 0 H ALA A 89 -6.685 -2.779 4.955 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.211 -2.105 7.201 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.005 -1.526 8.172 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.944 -3.056 7.266 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.285 -1.569 6.545 1.00 10.00 H new ATOM 216 N PHE A 90 -7.063 0.573 5.625 1.00 10.00 N ATOM 217 CA PHE A 90 -7.124 2.029 5.503 1.00 10.00 C ATOM 218 C PHE A 90 -7.877 2.495 4.254 1.00 10.00 C ATOM 219 O PHE A 90 -7.932 3.699 4.012 1.00 10.00 O ATOM 220 CB PHE A 90 -5.703 2.535 5.634 1.00 10.00 C ATOM 221 CG PHE A 90 -5.154 2.014 6.952 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.736 2.421 8.169 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.236 0.954 6.945 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.354 1.813 9.374 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.836 0.367 8.151 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.395 0.788 9.368 1.00 10.00 C ATOM 0 H PHE A 90 -6.450 0.146 4.930 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.726 2.469 6.298 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -5.093 2.187 4.800 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.680 3.625 5.613 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.479 3.204 8.174 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.838 0.591 6.009 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.797 2.133 10.305 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.092 -0.416 8.145 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.089 0.326 10.295 1.00 10.00 H new ATOM 236 N ASP A 91 -8.453 1.575 3.471 1.00 10.00 N ATOM 237 CA ASP A 91 -9.332 1.889 2.347 1.00 10.00 C ATOM 238 C ASP A 91 -10.791 1.888 2.771 1.00 10.00 C ATOM 239 O ASP A 91 -11.158 1.342 3.811 1.00 10.00 O ATOM 240 CB ASP A 91 -9.150 0.879 1.199 1.00 10.00 C ATOM 241 CG ASP A 91 -9.630 1.390 -0.162 1.00 10.00 C ATOM 242 OD1 ASP A 91 -10.168 2.520 -0.257 1.00 10.00 O ATOM 243 OD2 ASP A 91 -9.467 0.643 -1.146 1.00 10.00 O ATOM 0 H ASP A 91 -8.316 0.573 3.607 1.00 10.00 H new ATOM 0 HA ASP A 91 -9.057 2.885 2.001 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -8.095 0.615 1.125 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.691 -0.035 1.444 1.00 10.00 H new ATOM 296 N GLY A 96 -9.450 7.660 -2.781 1.00 10.00 N ATOM 297 CA GLY A 96 -8.777 8.676 -3.577 1.00 10.00 C ATOM 298 C GLY A 96 -7.260 8.645 -3.418 1.00 10.00 C ATOM 299 O GLY A 96 -6.538 8.977 -4.354 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.030 8.534 -4.628 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.148 9.660 -3.290 1.00 10.00 H new ATOM 303 N HIS A 97 -6.764 8.290 -2.231 1.00 10.00 N ATOM 304 CA HIS A 97 -5.344 8.356 -1.924 1.00 10.00 C ATOM 305 C HIS A 97 -5.085 7.574 -0.641 1.00 10.00 C ATOM 306 O HIS A 97 -5.787 7.806 0.341 1.00 10.00 O ATOM 307 CB HIS A 97 -4.964 9.835 -1.740 1.00 10.00 C ATOM 308 CG HIS A 97 -3.627 10.075 -1.088 1.00 10.00 C ATOM 309 ND1 HIS A 97 -3.414 10.762 0.085 1.00 10.00 N ATOM 310 CD2 HIS A 97 -2.408 9.719 -1.590 1.00 10.00 C ATOM 311 CE1 HIS A 97 -2.085 10.834 0.272 1.00 10.00 C ATOM 312 NE2 HIS A 97 -1.429 10.231 -0.732 1.00 10.00 N ATOM 0 H HIS A 97 -7.339 7.950 -1.460 1.00 10.00 H new ATOM 0 HA HIS A 97 -4.745 7.925 -2.726 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -4.967 10.319 -2.717 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.735 10.320 -1.142 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -4.132 11.146 0.699 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.232 9.145 -2.488 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -1.609 11.312 1.116 1.00 10.00 H new ATOM 320 N ILE A 98 -4.088 6.682 -0.627 1.00 10.00 N ATOM 321 CA ILE A 98 -3.694 6.041 0.628 1.00 10.00 C ATOM 322 C ILE A 98 -2.786 6.945 1.436 1.00 10.00 C ATOM 323 O ILE A 98 -2.193 7.899 0.950 1.00 10.00 O ATOM 324 CB ILE A 98 -2.990 4.683 0.453 1.00 10.00 C ATOM 325 CG1 ILE A 98 -1.703 4.746 -0.367 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.962 3.653 -0.093 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.448 4.947 0.474 1.00 10.00 C ATOM 0 H ILE A 98 -3.553 6.395 -1.447 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.633 5.859 1.150 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.666 4.373 1.446 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.602 3.824 -0.939 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.781 5.561 -1.087 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.451 2.698 -0.212 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.795 3.535 0.600 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.339 3.985 -1.060 1.00 10.00 H new ATOM 0 HD11 ILE A 98 0.425 4.982 -0.178 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.526 5.884 1.026 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.344 4.120 1.176 1.00 10.00 H new ATOM 339 N THR A 99 -2.624 6.544 2.685 1.00 10.00 N ATOM 340 CA THR A 99 -1.606 6.994 3.592 1.00 10.00 C ATOM 341 C THR A 99 -0.573 5.867 3.684 1.00 10.00 C ATOM 342 O THR A 99 -0.861 4.742 4.086 1.00 10.00 O ATOM 343 CB THR A 99 -2.361 7.416 4.851 1.00 10.00 C ATOM 344 OG1 THR A 99 -2.805 8.744 4.664 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.492 7.326 6.074 1.00 10.00 C ATOM 0 H THR A 99 -3.243 5.853 3.110 1.00 10.00 H new ATOM 0 HA THR A 99 -1.012 7.863 3.308 1.00 10.00 H new ATOM 0 HB THR A 99 -3.204 6.744 5.010 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.296 9.040 5.459 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.063 7.634 6.950 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.153 6.298 6.205 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.628 7.980 5.956 1.00 10.00 H new ATOM 353 N VAL A 100 0.640 6.154 3.212 1.00 10.00 N ATOM 354 CA VAL A 100 1.703 5.170 3.062 1.00 10.00 C ATOM 355 C VAL A 100 2.072 4.547 4.402 1.00 10.00 C ATOM 356 O VAL A 100 2.412 3.367 4.511 1.00 10.00 O ATOM 357 CB VAL A 100 2.850 5.787 2.278 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.637 6.752 3.135 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.759 4.732 1.642 1.00 10.00 C ATOM 0 H VAL A 100 0.912 7.092 2.920 1.00 10.00 H new ATOM 0 HA VAL A 100 1.365 4.319 2.471 1.00 10.00 H new ATOM 0 HB VAL A 100 2.407 6.349 1.456 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.451 7.178 2.549 1.00 10.00 H new ATOM 0 HG12 VAL A 100 2.981 7.551 3.480 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.047 6.223 3.995 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.561 5.226 1.094 1.00 10.00 H new ATOM 0 HG22 VAL A 100 4.186 4.102 2.422 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.177 4.116 0.956 1.00 10.00 H new ATOM 369 N ASP A 101 1.948 5.365 5.442 1.00 10.00 N ATOM 370 CA ASP A 101 2.188 4.878 6.802 1.00 10.00 C ATOM 371 C ASP A 101 1.065 3.934 7.275 1.00 10.00 C ATOM 372 O ASP A 101 1.318 2.976 7.998 1.00 10.00 O ATOM 373 CB ASP A 101 2.517 6.016 7.776 1.00 10.00 C ATOM 374 CG ASP A 101 3.604 5.562 8.741 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.279 4.949 9.775 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.791 5.744 8.384 1.00 10.00 O ATOM 0 H ASP A 101 1.688 6.349 5.376 1.00 10.00 H new ATOM 0 HA ASP A 101 3.088 4.264 6.784 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.850 6.896 7.225 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.623 6.305 8.329 1.00 10.00 H new ATOM 381 N GLU A 102 -0.158 4.131 6.772 1.00 10.00 N ATOM 382 CA GLU A 102 -1.297 3.239 6.964 1.00 10.00 C ATOM 383 C GLU A 102 -1.011 1.927 6.247 1.00 10.00 C ATOM 384 O GLU A 102 -1.144 0.854 6.825 1.00 10.00 O ATOM 385 CB GLU A 102 -2.601 3.904 6.512 1.00 10.00 C ATOM 386 CG GLU A 102 -3.400 4.479 7.698 1.00 10.00 C ATOM 387 CD GLU A 102 -2.778 5.651 8.447 1.00 10.00 C ATOM 388 OE1 GLU A 102 -1.638 5.493 8.931 1.00 10.00 O ATOM 389 OE2 GLU A 102 -3.475 6.683 8.536 1.00 10.00 O ATOM 0 H GLU A 102 -0.386 4.945 6.201 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.435 3.023 8.023 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.374 4.703 5.807 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.214 3.175 5.982 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -4.376 4.793 7.329 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.573 3.674 8.412 1.00 10.00 H new ATOM 396 N LEU A 103 -0.556 2.011 5.000 1.00 10.00 N ATOM 397 CA LEU A 103 -0.024 0.873 4.262 1.00 10.00 C ATOM 398 C LEU A 103 0.944 0.066 5.144 1.00 10.00 C ATOM 399 O LEU A 103 0.799 -1.144 5.321 1.00 10.00 O ATOM 400 CB LEU A 103 0.693 1.409 3.015 1.00 10.00 C ATOM 401 CG LEU A 103 0.133 0.901 1.690 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.989 1.537 0.581 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.257 -0.625 1.605 1.00 10.00 C ATOM 0 H LEU A 103 -0.547 2.882 4.469 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.832 0.204 3.966 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.641 2.498 3.022 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.748 1.140 3.075 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.921 1.162 1.593 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.629 1.205 -0.393 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.917 2.623 0.643 1.00 10.00 H new ATOM 0 HD13 LEU A 103 2.029 1.235 0.705 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.147 -0.970 0.654 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.307 -0.909 1.678 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.300 -1.081 2.423 1.00 10.00 H new ATOM 415 N ARG A 104 1.932 0.752 5.721 1.00 10.00 N ATOM 416 CA ARG A 104 2.921 0.144 6.603 1.00 10.00 C ATOM 417 C ARG A 104 2.269 -0.491 7.838 1.00 10.00 C ATOM 418 O ARG A 104 2.575 -1.629 8.187 1.00 10.00 O ATOM 419 CB ARG A 104 3.957 1.208 6.964 1.00 10.00 C ATOM 420 CG ARG A 104 5.168 0.631 7.717 1.00 10.00 C ATOM 421 CD ARG A 104 6.572 0.984 7.187 1.00 10.00 C ATOM 422 NE ARG A 104 6.647 2.319 6.563 1.00 10.00 N ATOM 423 CZ ARG A 104 6.329 3.463 7.191 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.096 3.483 8.503 1.00 10.00 N ATOM 425 NH2 ARG A 104 6.189 4.601 6.513 1.00 10.00 N ATOM 0 H ARG A 104 2.067 1.754 5.586 1.00 10.00 H new ATOM 0 HA ARG A 104 3.421 -0.678 6.090 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.301 1.697 6.053 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.485 1.975 7.578 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.107 0.961 8.754 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.074 -0.455 7.722 1.00 10.00 H new ATOM 0 HD2 ARG A 104 7.285 0.936 8.010 1.00 10.00 H new ATOM 0 HD3 ARG A 104 6.876 0.233 6.458 1.00 10.00 H new ATOM 0 HE ARG A 104 6.960 2.377 5.594 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.158 2.621 9.045 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.856 4.360 8.965 1.00 10.00 H new ATOM 0 HH21 ARG A 104 6.324 4.612 5.502 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.947 5.461 7.005 1.00 10.00 H new ATOM 439 N ARG A 105 1.366 0.241 8.495 1.00 10.00 N ATOM 440 CA ARG A 105 0.557 -0.244 9.606 1.00 10.00 C ATOM 441 C ARG A 105 -0.132 -1.555 9.228 1.00 10.00 C ATOM 442 O ARG A 105 -0.109 -2.510 10.004 1.00 10.00 O ATOM 443 CB ARG A 105 -0.491 0.817 9.991 1.00 10.00 C ATOM 444 CG ARG A 105 -0.274 1.490 11.350 1.00 10.00 C ATOM 445 CD ARG A 105 -0.901 0.684 12.496 1.00 10.00 C ATOM 446 NE ARG A 105 -0.216 -0.597 12.734 1.00 10.00 N ATOM 447 CZ ARG A 105 0.841 -0.750 13.548 1.00 10.00 C ATOM 448 NH1 ARG A 105 1.488 0.326 14.005 1.00 10.00 N ATOM 449 NH2 ARG A 105 1.238 -1.975 13.905 1.00 10.00 N ATOM 0 H ARG A 105 1.175 1.215 8.259 1.00 10.00 H new ATOM 0 HA ARG A 105 1.206 -0.429 10.462 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.503 1.588 9.220 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.475 0.349 9.989 1.00 10.00 H new ATOM 0 HG2 ARG A 105 0.795 1.606 11.531 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.705 2.491 11.332 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.876 1.279 13.409 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.950 0.493 12.269 1.00 10.00 H new ATOM 0 HE ARG A 105 -0.567 -1.423 12.249 1.00 10.00 H new ATOM 0 HH11 ARG A 105 1.179 1.260 13.735 1.00 10.00 H new ATOM 0 HH12 ARG A 105 2.291 0.214 14.623 1.00 10.00 H new ATOM 0 HH21 ARG A 105 0.738 -2.794 13.559 1.00 10.00 H new ATOM 0 HH22 ARG A 105 2.041 -2.091 14.523 1.00 10.00 H new ATOM 463 N ALA A 106 -0.759 -1.589 8.047 1.00 10.00 N ATOM 464 CA ALA A 106 -1.555 -2.710 7.575 1.00 10.00 C ATOM 465 C ALA A 106 -0.733 -3.987 7.569 1.00 10.00 C ATOM 466 O ALA A 106 -1.207 -5.035 8.000 1.00 10.00 O ATOM 467 CB ALA A 106 -2.074 -2.429 6.169 1.00 10.00 C ATOM 0 H ALA A 106 -0.722 -0.816 7.383 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.399 -2.839 8.253 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.669 -3.275 5.825 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.693 -1.532 6.182 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.232 -2.279 5.493 1.00 10.00 H new ATOM 473 N MET A 107 0.512 -3.895 7.098 1.00 10.00 N ATOM 474 CA MET A 107 1.431 -5.028 7.105 1.00 10.00 C ATOM 475 C MET A 107 1.585 -5.726 8.464 1.00 10.00 C ATOM 476 O MET A 107 1.919 -6.912 8.502 1.00 10.00 O ATOM 477 CB MET A 107 2.790 -4.636 6.535 1.00 10.00 C ATOM 478 CG MET A 107 2.606 -3.960 5.179 1.00 10.00 C ATOM 479 SD MET A 107 3.794 -4.433 3.916 1.00 10.00 S ATOM 480 CE MET A 107 3.035 -3.446 2.629 1.00 10.00 C ATOM 0 H MET A 107 0.906 -3.040 6.705 1.00 10.00 H new ATOM 0 HA MET A 107 0.967 -5.771 6.456 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.302 -3.961 7.221 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.419 -5.520 6.429 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.604 -4.184 4.813 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.661 -2.880 5.320 1.00 10.00 H new ATOM 0 HE1 MET A 107 3.792 -3.151 1.902 1.00 10.00 H new ATOM 0 HE2 MET A 107 2.262 -4.031 2.130 1.00 10.00 H new ATOM 0 HE3 MET A 107 2.588 -2.555 3.070 1.00 10.00 H new ATOM 490 N ALA A 108 1.299 -5.039 9.577 1.00 10.00 N ATOM 491 CA ALA A 108 1.214 -5.694 10.878 1.00 10.00 C ATOM 492 C ALA A 108 0.249 -6.885 10.838 1.00 10.00 C ATOM 493 O ALA A 108 0.517 -7.924 11.431 1.00 10.00 O ATOM 494 CB ALA A 108 0.808 -4.684 11.950 1.00 10.00 C ATOM 0 H ALA A 108 1.124 -4.034 9.598 1.00 10.00 H new ATOM 0 HA ALA A 108 2.199 -6.086 11.132 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.748 -5.184 12.917 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.550 -3.887 11.999 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.164 -4.259 11.700 1.00 10.00 H new ATOM 500 N GLY A 109 -0.861 -6.726 10.117 1.00 10.00 N ATOM 501 CA GLY A 109 -1.836 -7.772 9.866 1.00 10.00 C ATOM 502 C GLY A 109 -1.270 -8.886 8.984 1.00 10.00 C ATOM 503 O GLY A 109 -1.580 -10.055 9.196 1.00 10.00 O ATOM 0 H GLY A 109 -1.108 -5.837 9.681 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.167 -8.194 10.815 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.714 -7.341 9.386 1.00 10.00 H new ATOM 507 N LEU A 110 -0.478 -8.527 7.967 1.00 10.00 N ATOM 508 CA LEU A 110 -0.028 -9.469 6.947 1.00 10.00 C ATOM 509 C LEU A 110 0.862 -10.568 7.521 1.00 10.00 C ATOM 510 O LEU A 110 0.707 -11.732 7.158 1.00 10.00 O ATOM 511 CB LEU A 110 0.706 -8.736 5.811 1.00 10.00 C ATOM 512 CG LEU A 110 -0.259 -8.129 4.780 1.00 10.00 C ATOM 513 CD1 LEU A 110 0.464 -7.100 3.898 1.00 10.00 C ATOM 514 CD2 LEU A 110 -0.792 -9.237 3.867 1.00 10.00 C ATOM 0 H LEU A 110 -0.134 -7.576 7.832 1.00 10.00 H new ATOM 0 HA LEU A 110 -0.922 -9.947 6.547 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.325 -7.945 6.234 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.378 -9.432 5.309 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.071 -7.644 5.321 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.238 -6.683 3.176 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.860 -6.299 4.523 1.00 10.00 H new ATOM 0 HD13 LEU A 110 1.284 -7.586 3.369 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -1.477 -8.808 3.135 1.00 10.00 H new ATOM 0 HD22 LEU A 110 0.040 -9.714 3.349 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -1.320 -9.979 4.466 1.00 10.00 H new ATOM 526 N GLY A 111 1.820 -10.201 8.374 1.00 10.00 N ATOM 527 CA GLY A 111 2.794 -11.142 8.915 1.00 10.00 C ATOM 528 C GLY A 111 4.231 -10.653 8.753 1.00 10.00 C ATOM 529 O GLY A 111 5.132 -11.204 9.381 1.00 10.00 O ATOM 0 H GLY A 111 1.940 -9.244 8.707 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.587 -11.307 9.972 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.682 -12.104 8.414 1.00 10.00 H new ATOM 533 N GLN A 112 4.448 -9.603 7.955 1.00 10.00 N ATOM 534 CA GLN A 112 5.712 -8.884 7.892 1.00 10.00 C ATOM 535 C GLN A 112 5.512 -7.499 8.523 1.00 10.00 C ATOM 536 O GLN A 112 5.295 -6.528 7.802 1.00 10.00 O ATOM 537 CB GLN A 112 6.249 -8.861 6.450 1.00 10.00 C ATOM 538 CG GLN A 112 5.240 -8.547 5.330 1.00 10.00 C ATOM 539 CD GLN A 112 5.953 -8.436 3.978 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.081 -8.900 3.832 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.320 -7.807 2.994 1.00 10.00 N ATOM 0 H GLN A 112 3.736 -9.228 7.328 1.00 10.00 H new ATOM 0 HA GLN A 112 6.487 -9.389 8.468 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.051 -8.124 6.399 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.696 -9.833 6.240 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.483 -9.330 5.285 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.721 -7.614 5.551 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.384 -7.433 3.147 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.770 -7.698 2.085 1.00 10.00 H new ATOM 550 N PRO A 113 5.528 -7.386 9.863 1.00 10.00 N ATOM 551 CA PRO A 113 5.157 -6.164 10.558 1.00 10.00 C ATOM 552 C PRO A 113 6.235 -5.088 10.415 1.00 10.00 C ATOM 553 O PRO A 113 7.400 -5.331 10.718 1.00 10.00 O ATOM 554 CB PRO A 113 4.971 -6.573 12.024 1.00 10.00 C ATOM 555 CG PRO A 113 5.925 -7.754 12.180 1.00 10.00 C ATOM 556 CD PRO A 113 5.808 -8.444 10.823 1.00 10.00 C ATOM 0 HA PRO A 113 4.249 -5.727 10.142 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.223 -5.759 12.704 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.940 -6.857 12.235 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.945 -7.429 12.385 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.629 -8.411 12.998 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.730 -8.968 10.570 1.00 10.00 H new ATOM 0 HD3 PRO A 113 5.011 -9.187 10.830 1.00 10.00 H new ATOM 564 N LEU A 114 5.839 -3.886 9.979 1.00 10.00 N ATOM 565 CA LEU A 114 6.730 -2.748 9.801 1.00 10.00 C ATOM 566 C LEU A 114 7.964 -3.101 8.961 1.00 10.00 C ATOM 567 O LEU A 114 9.105 -2.922 9.390 1.00 10.00 O ATOM 568 CB LEU A 114 7.062 -2.117 11.165 1.00 10.00 C ATOM 569 CG LEU A 114 7.031 -0.589 11.044 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.570 -0.112 11.028 1.00 10.00 C ATOM 571 CD2 LEU A 114 7.783 0.053 12.213 1.00 10.00 C ATOM 0 H LEU A 114 4.870 -3.680 9.737 1.00 10.00 H new ATOM 0 HA LEU A 114 6.213 -1.986 9.217 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.343 -2.447 11.915 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.046 -2.446 11.500 1.00 10.00 H new ATOM 0 HG LEU A 114 7.520 -0.291 10.117 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.543 0.974 10.942 1.00 10.00 H new ATOM 0 HD12 LEU A 114 5.051 -0.556 10.178 1.00 10.00 H new ATOM 0 HD13 LEU A 114 5.078 -0.415 11.952 1.00 10.00 H new ATOM 0 HD21 LEU A 114 7.752 1.138 12.113 1.00 10.00 H new ATOM 0 HD22 LEU A 114 7.313 -0.239 13.152 1.00 10.00 H new ATOM 0 HD23 LEU A 114 8.820 -0.283 12.207 1.00 10.00 H new ATOM 583 N PRO A 115 7.749 -3.582 7.731 1.00 10.00 N ATOM 584 CA PRO A 115 8.818 -4.111 6.920 1.00 10.00 C ATOM 585 C PRO A 115 9.517 -2.948 6.236 1.00 10.00 C ATOM 586 O PRO A 115 9.251 -2.669 5.074 1.00 10.00 O ATOM 587 CB PRO A 115 8.110 -5.027 5.935 1.00 10.00 C ATOM 588 CG PRO A 115 6.751 -4.367 5.707 1.00 10.00 C ATOM 589 CD PRO A 115 6.484 -3.613 7.009 1.00 10.00 C ATOM 0 HA PRO A 115 9.585 -4.655 7.471 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.669 -5.116 5.004 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.000 -6.034 6.338 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.774 -3.691 4.852 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.976 -5.107 5.508 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.127 -2.603 6.807 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.713 -4.112 7.596 1.00 10.00 H new ATOM 597 N GLN A 116 10.377 -2.239 6.965 1.00 10.00 N ATOM 598 CA GLN A 116 10.876 -0.945 6.518 1.00 10.00 C ATOM 599 C GLN A 116 11.454 -0.981 5.093 1.00 10.00 C ATOM 600 O GLN A 116 11.248 -0.038 4.345 1.00 10.00 O ATOM 601 CB GLN A 116 11.857 -0.359 7.547 1.00 10.00 C ATOM 602 CG GLN A 116 11.832 1.179 7.544 1.00 10.00 C ATOM 603 CD GLN A 116 10.514 1.743 8.076 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.740 2.358 7.348 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.232 1.531 9.359 1.00 10.00 N ATOM 0 H GLN A 116 10.742 -2.541 7.868 1.00 10.00 H new ATOM 0 HA GLN A 116 10.022 -0.270 6.455 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.603 -0.725 8.542 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.866 -0.707 7.327 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.656 1.554 8.151 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.995 1.540 6.528 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.888 1.018 9.947 1.00 10.00 H new ATOM 0 HE22 GLN A 116 9.360 1.882 9.754 1.00 10.00 H new ATOM 614 N GLU A 117 12.131 -2.066 4.707 1.00 10.00 N ATOM 615 CA GLU A 117 12.694 -2.290 3.372 1.00 10.00 C ATOM 616 C GLU A 117 11.619 -2.534 2.325 1.00 10.00 C ATOM 617 O GLU A 117 11.599 -1.876 1.289 1.00 10.00 O ATOM 618 CB GLU A 117 13.649 -3.486 3.453 1.00 10.00 C ATOM 619 CG GLU A 117 14.825 -3.156 4.377 1.00 10.00 C ATOM 620 CD GLU A 117 15.706 -4.366 4.666 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.591 -5.355 3.911 1.00 10.00 O ATOM 622 OE2 GLU A 117 16.469 -4.278 5.652 1.00 10.00 O ATOM 0 H GLU A 117 12.309 -2.844 5.342 1.00 10.00 H new ATOM 0 HA GLU A 117 13.227 -1.392 3.059 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.118 -4.362 3.826 1.00 10.00 H new ATOM 0 HB3 GLU A 117 14.017 -3.736 2.458 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.430 -2.372 3.922 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.442 -2.758 5.317 1.00 10.00 H new ATOM 629 N GLU A 118 10.730 -3.488 2.582 1.00 10.00 N ATOM 630 CA GLU A 118 9.677 -3.840 1.642 1.00 10.00 C ATOM 631 C GLU A 118 8.808 -2.595 1.436 1.00 10.00 C ATOM 632 O GLU A 118 8.510 -2.189 0.316 1.00 10.00 O ATOM 633 CB GLU A 118 8.926 -5.070 2.190 1.00 10.00 C ATOM 634 CG GLU A 118 9.043 -6.326 1.316 1.00 10.00 C ATOM 635 CD GLU A 118 7.843 -6.502 0.393 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.772 -6.877 0.925 1.00 10.00 O ATOM 637 OE2 GLU A 118 8.018 -6.265 -0.821 1.00 10.00 O ATOM 0 H GLU A 118 10.720 -4.035 3.443 1.00 10.00 H new ATOM 0 HA GLU A 118 10.051 -4.131 0.660 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.306 -5.298 3.186 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.872 -4.817 2.301 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.953 -6.267 0.718 1.00 10.00 H new ATOM 0 HG3 GLU A 118 9.138 -7.203 1.956 1.00 10.00 H new ATOM 644 N LEU A 119 8.478 -1.914 2.531 1.00 10.00 N ATOM 645 CA LEU A 119 7.742 -0.672 2.476 1.00 10.00 C ATOM 646 C LEU A 119 8.565 0.473 1.881 1.00 10.00 C ATOM 647 O LEU A 119 7.977 1.287 1.195 1.00 10.00 O ATOM 648 CB LEU A 119 7.166 -0.322 3.848 1.00 10.00 C ATOM 649 CG LEU A 119 5.725 0.222 3.787 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.497 1.435 2.894 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.709 -0.860 3.444 1.00 10.00 C ATOM 0 H LEU A 119 8.717 -2.215 3.476 1.00 10.00 H new ATOM 0 HA LEU A 119 6.905 -0.819 1.793 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.184 -1.211 4.479 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.807 0.420 4.324 1.00 10.00 H new ATOM 0 HG LEU A 119 5.569 0.575 4.806 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.447 1.724 2.934 1.00 10.00 H new ATOM 0 HD12 LEU A 119 6.115 2.263 3.241 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.766 1.187 1.867 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.710 -0.425 3.414 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.948 -1.288 2.470 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.741 -1.643 4.202 1.00 10.00 H new ATOM 663 N ASP A 120 9.878 0.591 2.110 1.00 10.00 N ATOM 664 CA ASP A 120 10.717 1.592 1.437 1.00 10.00 C ATOM 665 C ASP A 120 10.627 1.405 -0.078 1.00 10.00 C ATOM 666 O ASP A 120 10.421 2.345 -0.848 1.00 10.00 O ATOM 667 CB ASP A 120 12.183 1.507 1.874 1.00 10.00 C ATOM 668 CG ASP A 120 13.038 2.445 1.029 1.00 10.00 C ATOM 669 OD1 ASP A 120 13.488 1.998 -0.049 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.222 3.602 1.456 1.00 10.00 O ATOM 0 H ASP A 120 10.388 -0.002 2.764 1.00 10.00 H new ATOM 0 HA ASP A 120 10.343 2.576 1.720 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.272 1.772 2.928 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.542 0.483 1.771 1.00 10.00 H new ATOM 675 N ALA A 121 10.771 0.150 -0.490 1.00 10.00 N ATOM 676 CA ALA A 121 10.671 -0.265 -1.868 1.00 10.00 C ATOM 677 C ALA A 121 9.307 0.182 -2.421 1.00 10.00 C ATOM 678 O ALA A 121 9.239 1.058 -3.285 1.00 10.00 O ATOM 679 CB ALA A 121 10.954 -1.771 -1.909 1.00 10.00 C ATOM 0 H ALA A 121 10.965 -0.621 0.149 1.00 10.00 H new ATOM 0 HA ALA A 121 11.403 0.203 -2.526 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.888 -2.126 -2.938 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.955 -1.964 -1.522 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.221 -2.296 -1.296 1.00 10.00 H new ATOM 685 N MET A 122 8.208 -0.297 -1.826 1.00 10.00 N ATOM 686 CA MET A 122 6.878 0.157 -2.181 1.00 10.00 C ATOM 687 C MET A 122 6.737 1.687 -2.087 1.00 10.00 C ATOM 688 O MET A 122 6.040 2.269 -2.906 1.00 10.00 O ATOM 689 CB MET A 122 5.838 -0.561 -1.312 1.00 10.00 C ATOM 690 CG MET A 122 5.384 -1.913 -1.886 1.00 10.00 C ATOM 691 SD MET A 122 6.545 -3.291 -1.731 1.00 10.00 S ATOM 692 CE MET A 122 5.595 -4.600 -2.535 1.00 10.00 C ATOM 0 H MET A 122 8.225 -1.005 -1.092 1.00 10.00 H new ATOM 0 HA MET A 122 6.701 -0.098 -3.226 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.255 -0.720 -0.317 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.968 0.085 -1.194 1.00 10.00 H new ATOM 0 HG2 MET A 122 4.453 -2.196 -1.395 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.158 -1.775 -2.943 1.00 10.00 H new ATOM 0 HE1 MET A 122 6.171 -5.526 -2.526 1.00 10.00 H new ATOM 0 HE2 MET A 122 4.657 -4.750 -2.000 1.00 10.00 H new ATOM 0 HE3 MET A 122 5.383 -4.315 -3.566 1.00 10.00 H new ATOM 702 N ILE A 123 7.372 2.346 -1.112 1.00 10.00 N ATOM 703 CA ILE A 123 7.340 3.796 -0.926 1.00 10.00 C ATOM 704 C ILE A 123 7.864 4.448 -2.209 1.00 10.00 C ATOM 705 O ILE A 123 7.277 5.403 -2.707 1.00 10.00 O ATOM 706 CB ILE A 123 8.139 4.255 0.321 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.217 4.347 1.545 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.836 5.617 0.138 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.969 4.226 2.877 1.00 10.00 C ATOM 0 H ILE A 123 7.939 1.869 -0.411 1.00 10.00 H new ATOM 0 HA ILE A 123 6.314 4.111 -0.738 1.00 10.00 H new ATOM 0 HB ILE A 123 8.912 3.500 0.467 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.685 5.298 1.520 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.466 3.559 1.486 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.376 5.875 1.049 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.537 5.558 -0.695 1.00 10.00 H new ATOM 0 HG23 ILE A 123 8.089 6.383 -0.070 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.261 4.299 3.702 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.479 3.264 2.921 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.702 5.029 2.955 1.00 10.00 H new ATOM 721 N ARG A 124 8.979 3.940 -2.740 1.00 10.00 N ATOM 722 CA ARG A 124 9.542 4.447 -3.983 1.00 10.00 C ATOM 723 C ARG A 124 8.588 4.203 -5.147 1.00 10.00 C ATOM 724 O ARG A 124 8.260 5.142 -5.866 1.00 10.00 O ATOM 725 CB ARG A 124 10.930 3.849 -4.241 1.00 10.00 C ATOM 726 CG ARG A 124 11.988 4.904 -3.906 1.00 10.00 C ATOM 727 CD ARG A 124 13.398 4.355 -4.113 1.00 10.00 C ATOM 728 NE ARG A 124 13.774 3.403 -3.053 1.00 10.00 N ATOM 729 CZ ARG A 124 14.962 2.781 -3.007 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.845 2.971 -3.993 1.00 10.00 N ATOM 731 NH2 ARG A 124 15.270 1.986 -1.983 1.00 10.00 N ATOM 0 H ARG A 124 9.508 3.174 -2.322 1.00 10.00 H new ATOM 0 HA ARG A 124 9.671 5.525 -3.890 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.077 2.958 -3.630 1.00 10.00 H new ATOM 0 HB3 ARG A 124 11.021 3.540 -5.282 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.841 5.783 -4.534 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.869 5.227 -2.872 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.457 3.861 -5.083 1.00 10.00 H new ATOM 0 HD3 ARG A 124 14.111 5.180 -4.131 1.00 10.00 H new ATOM 0 HE ARG A 124 13.096 3.207 -2.316 1.00 10.00 H new ATOM 0 HH11 ARG A 124 15.614 3.586 -4.773 1.00 10.00 H new ATOM 0 HH12 ARG A 124 16.750 2.501 -3.965 1.00 10.00 H new ATOM 0 HH21 ARG A 124 14.600 1.846 -1.226 1.00 10.00 H new ATOM 0 HH22 ARG A 124 16.175 1.517 -1.956 1.00 10.00 H new ATOM 745 N GLU A 125 8.118 2.966 -5.314 1.00 10.00 N ATOM 746 CA GLU A 125 7.144 2.660 -6.355 1.00 10.00 C ATOM 747 C GLU A 125 5.815 3.407 -6.135 1.00 10.00 C ATOM 748 O GLU A 125 4.983 3.474 -7.039 1.00 10.00 O ATOM 749 CB GLU A 125 6.941 1.139 -6.462 1.00 10.00 C ATOM 750 CG GLU A 125 8.114 0.417 -7.154 1.00 10.00 C ATOM 751 CD GLU A 125 9.359 0.252 -6.287 1.00 10.00 C ATOM 752 OE1 GLU A 125 10.221 1.158 -6.337 1.00 10.00 O ATOM 753 OE2 GLU A 125 9.443 -0.802 -5.619 1.00 10.00 O ATOM 0 H GLU A 125 8.396 2.167 -4.744 1.00 10.00 H new ATOM 0 HA GLU A 125 7.539 3.015 -7.307 1.00 10.00 H new ATOM 0 HB2 GLU A 125 6.807 0.726 -5.462 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.023 0.939 -7.015 1.00 10.00 H new ATOM 0 HG2 GLU A 125 7.778 -0.569 -7.475 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.384 0.970 -8.053 1.00 10.00 H new ATOM 760 N ALA A 126 5.571 3.941 -4.933 1.00 10.00 N ATOM 761 CA ALA A 126 4.340 4.631 -4.594 1.00 10.00 C ATOM 762 C ALA A 126 4.313 6.081 -5.085 1.00 10.00 C ATOM 763 O ALA A 126 4.079 6.993 -4.289 1.00 10.00 O ATOM 764 CB ALA A 126 4.088 4.560 -3.078 1.00 10.00 C ATOM 0 H ALA A 126 6.239 3.901 -4.163 1.00 10.00 H new ATOM 0 HA ALA A 126 3.533 4.116 -5.116 1.00 10.00 H new ATOM 0 HB1 ALA A 126 3.161 5.082 -2.838 1.00 10.00 H new ATOM 0 HB2 ALA A 126 4.007 3.517 -2.771 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.917 5.031 -2.549 1.00 10.00 H new ATOM 770 N ASP A 127 4.482 6.304 -6.390 1.00 10.00 N ATOM 771 CA ASP A 127 4.465 7.630 -6.989 1.00 10.00 C ATOM 772 C ASP A 127 3.413 7.724 -8.099 1.00 10.00 C ATOM 773 O ASP A 127 3.741 7.941 -9.262 1.00 10.00 O ATOM 774 CB ASP A 127 5.877 7.985 -7.482 1.00 10.00 C ATOM 775 CG ASP A 127 6.407 7.075 -8.591 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.982 5.898 -8.626 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.251 7.574 -9.367 1.00 10.00 O ATOM 0 H ASP A 127 4.636 5.555 -7.065 1.00 10.00 H new ATOM 0 HA ASP A 127 4.176 8.364 -6.237 1.00 10.00 H new ATOM 0 HB2 ASP A 127 5.875 9.013 -7.843 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.564 7.945 -6.637 1.00 10.00 H new ATOM 782 N VAL A 128 2.122 7.636 -7.749 1.00 10.00 N ATOM 783 CA VAL A 128 1.080 7.867 -8.748 1.00 10.00 C ATOM 784 C VAL A 128 1.151 9.319 -9.229 1.00 10.00 C ATOM 785 O VAL A 128 1.167 9.575 -10.431 1.00 10.00 O ATOM 786 CB VAL A 128 -0.337 7.499 -8.281 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.402 7.927 -9.302 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.437 5.976 -8.150 1.00 10.00 C ATOM 0 H VAL A 128 1.785 7.414 -6.812 1.00 10.00 H new ATOM 0 HA VAL A 128 1.281 7.189 -9.577 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.512 8.010 -7.334 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.390 7.649 -8.935 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.358 9.007 -9.443 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.215 7.429 -10.253 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.439 5.704 -7.819 1.00 10.00 H new ATOM 0 HG22 VAL A 128 -0.236 5.514 -9.117 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.293 5.625 -7.421 1.00 10.00 H new ATOM 798 N ASP A 129 1.159 10.256 -8.273 1.00 10.00 N ATOM 799 CA ASP A 129 1.167 11.687 -8.565 1.00 10.00 C ATOM 800 C ASP A 129 2.593 12.125 -8.919 1.00 10.00 C ATOM 801 O ASP A 129 3.049 11.918 -10.039 1.00 10.00 O ATOM 802 CB ASP A 129 0.583 12.494 -7.387 1.00 10.00 C ATOM 803 CG ASP A 129 -0.915 12.307 -7.158 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.594 11.784 -8.064 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.354 12.713 -6.060 1.00 10.00 O ATOM 0 H ASP A 129 1.160 10.039 -7.276 1.00 10.00 H new ATOM 0 HA ASP A 129 0.527 11.888 -9.424 1.00 10.00 H new ATOM 0 HB2 ASP A 129 1.112 12.214 -6.476 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.780 13.552 -7.558 1.00 10.00 H new ATOM 810 N GLN A 130 3.299 12.761 -7.974 1.00 10.00 N ATOM 811 CA GLN A 130 4.650 13.285 -8.163 1.00 10.00 C ATOM 812 C GLN A 130 5.205 13.757 -6.809 1.00 10.00 C ATOM 813 O GLN A 130 5.679 14.883 -6.667 1.00 10.00 O ATOM 814 CB GLN A 130 4.645 14.382 -9.255 1.00 10.00 C ATOM 815 CG GLN A 130 5.505 13.962 -10.454 1.00 10.00 C ATOM 816 CD GLN A 130 5.383 14.933 -11.625 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.018 16.092 -11.461 1.00 10.00 O ATOM 818 NE2 GLN A 130 5.693 14.470 -12.832 1.00 10.00 N ATOM 0 H GLN A 130 2.934 12.927 -7.036 1.00 10.00 H new ATOM 0 HA GLN A 130 5.322 12.506 -8.524 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.623 14.570 -9.583 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.023 15.316 -8.840 1.00 10.00 H new ATOM 0 HG2 GLN A 130 6.548 13.899 -10.145 1.00 10.00 H new ATOM 0 HG3 GLN A 130 5.208 12.965 -10.780 1.00 10.00 H new ATOM 0 HE21 GLN A 130 5.994 13.502 -12.945 1.00 10.00 H new ATOM 0 HE22 GLN A 130 5.629 15.083 -13.645 1.00 10.00 H new ATOM 827 N ASP A 131 5.121 12.885 -5.798 1.00 10.00 N ATOM 828 CA ASP A 131 5.534 13.168 -4.426 1.00 10.00 C ATOM 829 C ASP A 131 5.657 11.834 -3.686 1.00 10.00 C ATOM 830 O ASP A 131 6.737 11.252 -3.627 1.00 10.00 O ATOM 831 CB ASP A 131 4.527 14.140 -3.787 1.00 10.00 C ATOM 832 CG ASP A 131 4.682 14.308 -2.280 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.789 14.055 -1.769 1.00 10.00 O ATOM 834 OD2 ASP A 131 3.655 14.683 -1.666 1.00 10.00 O ATOM 0 H ASP A 131 4.754 11.941 -5.918 1.00 10.00 H new ATOM 0 HA ASP A 131 6.506 13.660 -4.380 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.631 15.116 -4.262 1.00 10.00 H new ATOM 0 HB3 ASP A 131 3.517 13.789 -3.999 1.00 10.00 H new ATOM 839 N GLY A 132 4.530 11.304 -3.205 1.00 10.00 N ATOM 840 CA GLY A 132 4.467 9.979 -2.602 1.00 10.00 C ATOM 841 C GLY A 132 3.014 9.579 -2.371 1.00 10.00 C ATOM 842 O GLY A 132 2.659 9.101 -1.295 1.00 10.00 O ATOM 0 H GLY A 132 3.633 11.788 -3.225 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.954 9.252 -3.251 1.00 10.00 H new ATOM 0 HA3 GLY A 132 5.009 9.975 -1.656 1.00 10.00 H new ATOM 846 N ARG A 133 2.166 9.824 -3.374 1.00 10.00 N ATOM 847 CA ARG A 133 0.738 9.543 -3.330 1.00 10.00 C ATOM 848 C ARG A 133 0.446 8.409 -4.293 1.00 10.00 C ATOM 849 O ARG A 133 0.895 8.469 -5.438 1.00 10.00 O ATOM 850 CB ARG A 133 -0.054 10.773 -3.794 1.00 10.00 C ATOM 851 CG ARG A 133 0.109 11.964 -2.844 1.00 10.00 C ATOM 852 CD ARG A 133 0.718 13.154 -3.586 1.00 10.00 C ATOM 853 NE ARG A 133 1.276 14.127 -2.645 1.00 10.00 N ATOM 854 CZ ARG A 133 0.655 15.151 -2.058 1.00 10.00 C ATOM 855 NH1 ARG A 133 -0.646 15.371 -2.274 1.00 10.00 N ATOM 856 NH2 ARG A 133 1.381 15.931 -1.256 1.00 10.00 N ATOM 0 H ARG A 133 2.466 10.233 -4.259 1.00 10.00 H new ATOM 0 HA ARG A 133 0.451 9.283 -2.311 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.277 11.060 -4.792 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.110 10.514 -3.870 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -0.860 12.242 -2.429 1.00 10.00 H new ATOM 0 HG3 ARG A 133 0.747 11.685 -2.005 1.00 10.00 H new ATOM 0 HD2 ARG A 133 1.500 12.805 -4.261 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -0.044 13.633 -4.201 1.00 10.00 H new ATOM 0 HE ARG A 133 2.261 14.007 -2.409 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -1.172 14.753 -2.892 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -1.113 16.157 -1.821 1.00 10.00 H new ATOM 0 HH21 ARG A 133 2.371 15.733 -1.112 1.00 10.00 H new ATOM 0 HH22 ARG A 133 0.946 16.725 -0.787 1.00 10.00 H new ATOM 870 N VAL A 134 -0.322 7.409 -3.856 1.00 10.00 N ATOM 871 CA VAL A 134 -0.914 6.408 -4.701 1.00 10.00 C ATOM 872 C VAL A 134 -2.411 6.320 -4.402 1.00 10.00 C ATOM 873 O VAL A 134 -2.829 6.521 -3.258 1.00 10.00 O ATOM 874 CB VAL A 134 -0.214 5.079 -4.445 1.00 10.00 C ATOM 875 CG1 VAL A 134 1.287 5.117 -4.655 1.00 10.00 C ATOM 876 CG2 VAL A 134 -0.425 4.568 -3.039 1.00 10.00 C ATOM 0 H VAL A 134 -0.547 7.283 -2.869 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.795 6.666 -5.753 1.00 10.00 H new ATOM 0 HB VAL A 134 -0.675 4.420 -5.181 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.708 4.132 -4.452 1.00 10.00 H new ATOM 0 HG12 VAL A 134 1.503 5.399 -5.686 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.731 5.847 -3.978 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.096 3.619 -2.915 1.00 10.00 H new ATOM 0 HG22 VAL A 134 -0.033 5.293 -2.326 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -1.490 4.423 -2.861 1.00 10.00 H new ATOM 886 N ASN A 135 -3.204 5.984 -5.419 1.00 10.00 N ATOM 887 CA ASN A 135 -4.602 5.609 -5.255 1.00 10.00 C ATOM 888 C ASN A 135 -4.651 4.127 -4.891 1.00 10.00 C ATOM 889 O ASN A 135 -3.774 3.382 -5.319 1.00 10.00 O ATOM 890 CB ASN A 135 -5.369 5.862 -6.560 1.00 10.00 C ATOM 891 CG ASN A 135 -6.678 6.581 -6.278 1.00 10.00 C ATOM 892 OD1 ASN A 135 -7.430 6.171 -5.396 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.938 7.667 -7.000 1.00 10.00 N ATOM 0 H ASN A 135 -2.888 5.965 -6.388 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.066 6.204 -4.469 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.758 6.459 -7.238 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.568 4.915 -7.061 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.792 8.199 -6.832 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -6.283 7.969 -7.722 1.00 10.00 H new ATOM 900 N TYR A 136 -5.648 3.683 -4.123 1.00 10.00 N ATOM 901 CA TYR A 136 -5.674 2.299 -3.645 1.00 10.00 C ATOM 902 C TYR A 136 -5.639 1.293 -4.789 1.00 10.00 C ATOM 903 O TYR A 136 -4.699 0.514 -4.920 1.00 10.00 O ATOM 904 CB TYR A 136 -6.860 1.966 -2.752 1.00 10.00 C ATOM 905 CG TYR A 136 -7.038 2.855 -1.555 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.510 4.175 -1.651 1.00 10.00 C ATOM 907 CD2 TYR A 136 -6.707 2.323 -0.309 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.549 4.977 -0.503 1.00 10.00 C ATOM 909 CE2 TYR A 136 -6.823 3.092 0.845 1.00 10.00 C ATOM 910 CZ TYR A 136 -7.239 4.433 0.754 1.00 10.00 C ATOM 911 OH TYR A 136 -7.263 5.231 1.856 1.00 10.00 O ATOM 0 H TYR A 136 -6.438 4.253 -3.822 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.768 2.218 -3.044 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -7.768 2.009 -3.353 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.755 0.938 -2.406 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -7.840 4.568 -2.601 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -6.357 1.304 -0.239 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.819 6.019 -0.585 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -6.594 2.660 1.808 1.00 10.00 H new ATOM 0 HH TYR A 136 -7.278 4.675 2.663 1.00 10.00 H new ATOM 921 N GLU A 137 -6.701 1.287 -5.595 1.00 10.00 N ATOM 922 CA GLU A 137 -6.915 0.238 -6.576 1.00 10.00 C ATOM 923 C GLU A 137 -5.800 0.311 -7.630 1.00 10.00 C ATOM 924 O GLU A 137 -5.161 -0.678 -7.981 1.00 10.00 O ATOM 925 CB GLU A 137 -8.340 0.378 -7.144 1.00 10.00 C ATOM 926 CG GLU A 137 -8.943 -0.954 -7.620 1.00 10.00 C ATOM 927 CD GLU A 137 -8.884 -1.111 -9.134 1.00 10.00 C ATOM 928 OE1 GLU A 137 -9.697 -0.436 -9.800 1.00 10.00 O ATOM 929 OE2 GLU A 137 -8.027 -1.893 -9.595 1.00 10.00 O ATOM 0 H GLU A 137 -7.427 2.004 -5.583 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.855 -0.758 -6.137 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.987 0.808 -6.379 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.323 1.079 -7.978 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.408 -1.780 -7.151 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -9.980 -1.018 -7.291 1.00 10.00 H new ATOM 936 N GLU A 138 -5.496 1.539 -8.054 1.00 10.00 N ATOM 937 CA GLU A 138 -4.401 1.838 -8.959 1.00 10.00 C ATOM 938 C GLU A 138 -3.070 1.306 -8.400 1.00 10.00 C ATOM 939 O GLU A 138 -2.299 0.664 -9.115 1.00 10.00 O ATOM 940 CB GLU A 138 -4.407 3.351 -9.230 1.00 10.00 C ATOM 941 CG GLU A 138 -3.859 3.721 -10.611 1.00 10.00 C ATOM 942 CD GLU A 138 -4.328 5.116 -11.000 1.00 10.00 C ATOM 943 OE1 GLU A 138 -5.440 5.200 -11.564 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.586 6.069 -10.688 1.00 10.00 O ATOM 0 H GLU A 138 -6.019 2.366 -7.768 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.527 1.328 -9.914 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.427 3.725 -9.139 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.814 3.852 -8.465 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.770 3.684 -10.601 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.196 2.995 -11.351 1.00 10.00 H new ATOM 951 N PHE A 139 -2.803 1.518 -7.104 1.00 10.00 N ATOM 952 CA PHE A 139 -1.639 0.927 -6.459 1.00 10.00 C ATOM 953 C PHE A 139 -1.676 -0.586 -6.570 1.00 10.00 C ATOM 954 O PHE A 139 -0.709 -1.223 -6.979 1.00 10.00 O ATOM 955 CB PHE A 139 -1.508 1.310 -4.984 1.00 10.00 C ATOM 956 CG PHE A 139 -0.215 0.789 -4.393 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.147 -0.516 -3.871 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.971 1.518 -4.572 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.058 -0.995 -3.331 1.00 10.00 C ATOM 960 CE2 PHE A 139 2.168 1.067 -3.992 1.00 10.00 C ATOM 961 CZ PHE A 139 2.193 -0.168 -3.327 1.00 10.00 C ATOM 0 H PHE A 139 -3.379 2.093 -6.490 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.772 1.327 -6.985 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.545 2.395 -4.883 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.353 0.909 -4.425 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -1.022 -1.149 -3.886 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.963 2.426 -5.156 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.111 -1.993 -2.921 1.00 10.00 H new ATOM 0 HE2 PHE A 139 3.064 1.667 -4.058 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.087 -0.484 -2.811 1.00 10.00 H new ATOM 971 N ALA A 140 -2.800 -1.157 -6.155 1.00 10.00 N ATOM 972 CA ALA A 140 -3.020 -2.585 -6.138 1.00 10.00 C ATOM 973 C ALA A 140 -2.758 -3.186 -7.528 1.00 10.00 C ATOM 974 O ALA A 140 -2.263 -4.307 -7.629 1.00 10.00 O ATOM 975 CB ALA A 140 -4.424 -2.825 -5.579 1.00 10.00 C ATOM 0 H ALA A 140 -3.598 -0.621 -5.814 1.00 10.00 H new ATOM 0 HA ALA A 140 -2.317 -3.105 -5.487 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.626 -3.896 -5.551 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.489 -2.417 -4.570 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -5.159 -2.333 -6.217 1.00 10.00 H new ATOM 981 N ARG A 141 -3.001 -2.408 -8.592 1.00 10.00 N ATOM 982 CA ARG A 141 -2.507 -2.695 -9.934 1.00 10.00 C ATOM 983 C ARG A 141 -0.966 -2.681 -9.959 1.00 10.00 C ATOM 984 O ARG A 141 -0.339 -3.735 -10.077 1.00 10.00 O ATOM 985 CB ARG A 141 -3.148 -1.712 -10.936 1.00 10.00 C ATOM 986 CG ARG A 141 -3.324 -2.282 -12.350 1.00 10.00 C ATOM 987 CD ARG A 141 -4.248 -1.347 -13.146 1.00 10.00 C ATOM 988 NE ARG A 141 -4.617 -1.917 -14.453 1.00 10.00 N ATOM 989 CZ ARG A 141 -4.041 -1.640 -15.636 1.00 10.00 C ATOM 990 NH1 ARG A 141 -2.942 -0.878 -15.694 1.00 10.00 N ATOM 991 NH2 ARG A 141 -4.579 -2.126 -16.759 1.00 10.00 N ATOM 0 H ARG A 141 -3.554 -1.552 -8.538 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.800 -3.700 -10.238 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -4.123 -1.407 -10.555 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -2.532 -0.814 -10.992 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -2.357 -2.369 -12.845 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.750 -3.284 -12.303 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -5.151 -1.152 -12.568 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -3.752 -0.388 -13.296 1.00 10.00 H new ATOM 0 HE ARG A 141 -5.385 -2.588 -14.462 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -2.536 -0.503 -14.837 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -2.511 -0.672 -16.595 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -5.420 -2.702 -16.714 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -4.149 -1.921 -17.661 1.00 10.00 H new ATOM 1005 N MET A 142 -0.335 -1.503 -9.855 1.00 10.00 N ATOM 1006 CA MET A 142 1.099 -1.362 -10.135 1.00 10.00 C ATOM 1007 C MET A 142 2.019 -2.114 -9.169 1.00 10.00 C ATOM 1008 O MET A 142 3.162 -2.383 -9.533 1.00 10.00 O ATOM 1009 CB MET A 142 1.514 0.103 -10.292 1.00 10.00 C ATOM 1010 CG MET A 142 1.447 0.893 -8.981 1.00 10.00 C ATOM 1011 SD MET A 142 1.450 2.692 -9.182 1.00 10.00 S ATOM 1012 CE MET A 142 -0.195 2.939 -9.891 1.00 10.00 C ATOM 0 H MET A 142 -0.795 -0.636 -9.579 1.00 10.00 H new ATOM 0 HA MET A 142 1.239 -1.857 -11.096 1.00 10.00 H new ATOM 0 HB2 MET A 142 2.531 0.146 -10.683 1.00 10.00 H new ATOM 0 HB3 MET A 142 0.868 0.580 -11.029 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.545 0.603 -8.443 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.295 0.609 -8.358 1.00 10.00 H new ATOM 0 HE1 MET A 142 -0.144 3.696 -10.674 1.00 10.00 H new ATOM 0 HE2 MET A 142 -0.553 2.001 -10.316 1.00 10.00 H new ATOM 0 HE3 MET A 142 -0.881 3.269 -9.111 1.00 10.00 H new ATOM 1022 N LEU A 143 1.541 -2.488 -7.973 1.00 10.00 N ATOM 1023 CA LEU A 143 2.166 -3.464 -7.104 1.00 10.00 C ATOM 1024 C LEU A 143 2.710 -4.602 -7.970 1.00 10.00 C ATOM 1025 O LEU A 143 3.888 -4.951 -7.901 1.00 10.00 O ATOM 1026 CB LEU A 143 1.113 -3.946 -6.096 1.00 10.00 C ATOM 1027 CG LEU A 143 1.372 -5.384 -5.664 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.622 -5.492 -4.791 1.00 10.00 C ATOM 1029 CD2 LEU A 143 0.111 -5.831 -4.974 1.00 10.00 C ATOM 0 H LEU A 143 0.682 -2.101 -7.583 1.00 10.00 H new ATOM 0 HA LEU A 143 3.002 -3.043 -6.545 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.120 -3.295 -5.222 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.121 -3.872 -6.541 1.00 10.00 H new ATOM 0 HG LEU A 143 1.587 -6.037 -6.510 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.775 -6.532 -4.502 1.00 10.00 H new ATOM 0 HD12 LEU A 143 3.488 -5.140 -5.351 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.495 -4.882 -3.897 1.00 10.00 H new ATOM 0 HD21 LEU A 143 0.227 -6.861 -4.636 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.082 -5.187 -4.116 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -0.726 -5.770 -5.670 1.00 10.00 H new ATOM 1041 N ALA A 144 1.840 -5.199 -8.789 1.00 10.00 N ATOM 1042 CA ALA A 144 2.167 -6.386 -9.573 1.00 10.00 C ATOM 1043 C ALA A 144 2.885 -6.050 -10.876 1.00 10.00 C ATOM 1044 O ALA A 144 2.547 -6.520 -11.958 1.00 10.00 O ATOM 1045 CB ALA A 144 0.871 -7.066 -9.886 1.00 10.00 C ATOM 0 H ALA A 144 0.885 -4.868 -8.925 1.00 10.00 H new ATOM 0 HA ALA A 144 2.843 -7.019 -8.998 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.064 -7.963 -10.474 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.371 -7.341 -8.957 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.233 -6.390 -10.455 1.00 10.00 H new