USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 371 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 18 CYS SG : rot -137:sc= 0.539 USER MOD Set 1.2: A 21 CYS SG : rot -93:sc= 0.831 USER MOD Set 1.3: A 44 CYS SG : rot -76:sc= 0.299 USER MOD Set 1.4: A 47 CYS SG : rot 65:sc= 0.518 USER MOD Set 2.1: A 3 CYS SG : rot -178:sc= 0.318 USER MOD Set 2.2: A 6 CYS SG : rot -103:sc= 0.65 USER MOD Set 2.3: A 26 HIS : no HD1:sc= 0.824 K(o=2.3,f=-2.2!) USER MOD Set 2.4: A 29 CYS SG : rot 124:sc= 0.522 USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.2 (180deg=1.16) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.44) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 0.41 (180deg=0.112) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0.767 (180deg=0.367) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 1 (180deg=0.974) USER MOD Single : A 35 TYR OH : rot 77:sc= 0.00841 USER MOD Single : A 43 GLN : amide:sc= 0.571 K(o=0.57,f=-1.3!) USER MOD Single : A 48 GLN : amide:sc= 0.415 K(o=0.42,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.405 10.822 -6.535 1.00 0.00 N ATOM 2 CA ALA A 1 3.603 9.739 -7.134 1.00 0.00 C ATOM 3 C ALA A 1 3.397 8.602 -6.131 1.00 0.00 C ATOM 4 O ALA A 1 3.780 8.730 -4.969 1.00 0.00 O ATOM 5 CB ALA A 1 4.259 9.244 -8.429 1.00 0.00 C ATOM 0 H1 ALA A 1 4.606 11.545 -7.256 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.875 11.253 -5.750 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.300 10.433 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 1 2.618 10.129 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.656 8.445 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.330 10.068 -9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.258 8.867 -8.210 1.00 0.00 H new ATOM 13 N ARG A 2 2.803 7.489 -6.580 1.00 0.00 N ATOM 14 CA ARG A 2 2.643 6.294 -5.762 1.00 0.00 C ATOM 15 C ARG A 2 3.984 5.602 -5.496 1.00 0.00 C ATOM 16 O ARG A 2 5.015 5.988 -6.044 1.00 0.00 O ATOM 17 CB ARG A 2 1.573 5.357 -6.352 1.00 0.00 C ATOM 18 CG ARG A 2 1.764 4.866 -7.793 1.00 0.00 C ATOM 19 CD ARG A 2 2.926 3.886 -7.975 1.00 0.00 C ATOM 20 NE ARG A 2 2.842 2.734 -7.066 1.00 0.00 N ATOM 21 CZ ARG A 2 2.085 1.639 -7.240 1.00 0.00 C ATOM 22 NH1 ARG A 2 1.319 1.491 -8.330 1.00 0.00 N ATOM 23 NH2 ARG A 2 2.101 0.685 -6.300 1.00 0.00 N ATOM 0 H ARG A 2 2.422 7.398 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 2 2.274 6.599 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.503 4.481 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.613 5.870 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.844 4.386 -8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.926 5.728 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.939 3.531 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.867 4.409 -7.807 1.00 0.00 H new ATOM 0 HE ARG A 2 3.414 2.770 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.304 2.218 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.751 0.652 -8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.682 0.797 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.532 -0.154 -6.415 1.00 0.00 H new ATOM 37 N CYS A 3 3.950 4.565 -4.652 1.00 0.00 N ATOM 38 CA CYS A 3 5.112 3.820 -4.193 1.00 0.00 C ATOM 39 C CYS A 3 4.818 2.323 -4.294 1.00 0.00 C ATOM 40 O CYS A 3 3.661 1.912 -4.241 1.00 0.00 O ATOM 41 CB CYS A 3 5.409 4.253 -2.756 1.00 0.00 C ATOM 42 SG CYS A 3 6.862 3.504 -1.978 1.00 0.00 S ATOM 0 H CYS A 3 3.077 4.214 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 3 5.990 4.023 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.534 5.336 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.537 4.026 -2.143 1.00 0.00 H new ATOM 0 HG CYS A 3 6.969 3.932 -0.755 1.00 0.00 H new ATOM 47 N LYS A 4 5.860 1.504 -4.469 1.00 0.00 N ATOM 48 CA LYS A 4 5.762 0.052 -4.421 1.00 0.00 C ATOM 49 C LYS A 4 5.354 -0.404 -3.020 1.00 0.00 C ATOM 50 O LYS A 4 4.413 -1.181 -2.865 1.00 0.00 O ATOM 51 CB LYS A 4 7.107 -0.551 -4.856 1.00 0.00 C ATOM 52 CG LYS A 4 7.246 -2.077 -4.718 1.00 0.00 C ATOM 53 CD LYS A 4 6.581 -2.916 -5.825 1.00 0.00 C ATOM 54 CE LYS A 4 5.055 -3.085 -5.749 1.00 0.00 C ATOM 55 NZ LYS A 4 4.598 -3.564 -4.432 1.00 0.00 N ATOM 0 H LYS A 4 6.805 1.841 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 4 4.990 -0.298 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.280 -0.285 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.898 -0.081 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.307 -2.325 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.823 -2.376 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.825 -2.463 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.033 -3.908 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.577 -2.130 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.733 -3.788 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.678 -4.038 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.293 -4.235 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.500 -2.757 -3.784 1.00 0.00 H new ATOM 69 N VAL A 5 6.082 0.082 -2.012 1.00 0.00 N ATOM 70 CA VAL A 5 6.012 -0.372 -0.631 1.00 0.00 C ATOM 71 C VAL A 5 4.694 0.082 -0.005 1.00 0.00 C ATOM 72 O VAL A 5 3.803 -0.738 0.213 1.00 0.00 O ATOM 73 CB VAL A 5 7.243 0.154 0.127 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.197 -0.141 1.631 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.524 -0.458 -0.454 1.00 0.00 C ATOM 0 H VAL A 5 6.761 0.831 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 5 6.028 -1.461 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 5 7.237 1.237 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.094 0.256 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.316 0.330 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.149 -1.218 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.388 -0.078 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.484 -1.543 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.611 -0.188 -1.506 1.00 0.00 H new ATOM 85 N CYS A 6 4.571 1.382 0.288 1.00 0.00 N ATOM 86 CA CYS A 6 3.469 1.914 1.077 1.00 0.00 C ATOM 87 C CYS A 6 2.222 2.172 0.227 1.00 0.00 C ATOM 88 O CYS A 6 1.119 2.171 0.769 1.00 0.00 O ATOM 89 CB CYS A 6 3.907 3.165 1.850 1.00 0.00 C ATOM 90 SG CYS A 6 4.513 4.567 0.876 1.00 0.00 S ATOM 0 H CYS A 6 5.237 2.091 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 6 3.189 1.154 1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.061 3.508 2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.692 2.874 2.548 1.00 0.00 H new ATOM 0 HG CYS A 6 5.810 4.614 0.944 1.00 0.00 H new ATOM 95 N ARG A 7 2.387 2.384 -1.089 1.00 0.00 N ATOM 96 CA ARG A 7 1.321 2.808 -1.996 1.00 0.00 C ATOM 97 C ARG A 7 0.636 4.067 -1.459 1.00 0.00 C ATOM 98 O ARG A 7 -0.590 4.118 -1.360 1.00 0.00 O ATOM 99 CB ARG A 7 0.325 1.660 -2.239 1.00 0.00 C ATOM 100 CG ARG A 7 0.987 0.419 -2.862 1.00 0.00 C ATOM 101 CD ARG A 7 0.559 -0.874 -2.159 1.00 0.00 C ATOM 102 NE ARG A 7 1.155 -0.967 -0.816 1.00 0.00 N ATOM 103 CZ ARG A 7 0.520 -0.897 0.368 1.00 0.00 C ATOM 104 NH1 ARG A 7 -0.807 -0.728 0.452 1.00 0.00 N ATOM 105 NH2 ARG A 7 1.239 -0.992 1.494 1.00 0.00 N ATOM 0 H ARG A 7 3.285 2.261 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 7 1.756 3.062 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.140 1.382 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.472 2.009 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.726 0.361 -3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.071 0.520 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.528 -0.907 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.863 -1.734 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 7 2.166 -1.100 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.366 -0.648 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.258 -0.679 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.250 -1.115 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.775 -0.941 2.401 1.00 0.00 H new ATOM 119 N LYS A 8 1.440 5.075 -1.104 1.00 0.00 N ATOM 120 CA LYS A 8 0.975 6.410 -0.757 1.00 0.00 C ATOM 121 C LYS A 8 1.550 7.420 -1.745 1.00 0.00 C ATOM 122 O LYS A 8 2.547 7.147 -2.411 1.00 0.00 O ATOM 123 CB LYS A 8 1.407 6.784 0.667 1.00 0.00 C ATOM 124 CG LYS A 8 0.843 5.831 1.727 1.00 0.00 C ATOM 125 CD LYS A 8 1.368 6.124 3.141 1.00 0.00 C ATOM 126 CE LYS A 8 0.876 7.451 3.738 1.00 0.00 C ATOM 127 NZ LYS A 8 1.721 8.599 3.360 1.00 0.00 N ATOM 0 H LYS A 8 2.454 4.977 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.114 6.423 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.495 6.781 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.079 7.800 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.245 5.901 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.096 4.806 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.070 5.310 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.458 6.133 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.147 7.635 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.850 7.367 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.606 9.360 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.717 8.302 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.437 8.945 2.421 1.00 0.00 H new ATOM 141 N LYS A 9 0.898 8.583 -1.826 1.00 0.00 N ATOM 142 CA LYS A 9 1.388 9.757 -2.525 1.00 0.00 C ATOM 143 C LYS A 9 1.117 10.961 -1.621 1.00 0.00 C ATOM 144 O LYS A 9 -0.037 11.310 -1.376 1.00 0.00 O ATOM 145 CB LYS A 9 0.797 9.853 -3.946 1.00 0.00 C ATOM 146 CG LYS A 9 -0.680 10.253 -4.097 1.00 0.00 C ATOM 147 CD LYS A 9 -1.660 9.282 -3.423 1.00 0.00 C ATOM 148 CE LYS A 9 -3.114 9.616 -3.770 1.00 0.00 C ATOM 149 NZ LYS A 9 -3.518 10.932 -3.244 1.00 0.00 N ATOM 0 H LYS A 9 -0.013 8.730 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 9 2.462 9.709 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.395 10.572 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.930 8.884 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.822 11.248 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.922 10.319 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.436 8.262 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.525 9.320 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.241 9.604 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.770 8.846 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.527 11.090 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.358 10.959 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.955 11.677 -3.702 1.00 0.00 H new ATOM 163 N GLY A 10 2.177 11.541 -1.047 1.00 0.00 N ATOM 164 CA GLY A 10 2.049 12.542 -0.002 1.00 0.00 C ATOM 165 C GLY A 10 3.421 13.015 0.460 1.00 0.00 C ATOM 166 O GLY A 10 3.738 14.196 0.328 1.00 0.00 O ATOM 0 H GLY A 10 3.142 11.325 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.472 13.390 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.499 12.126 0.842 1.00 0.00 H new ATOM 170 N GLU A 11 4.242 12.094 0.980 1.00 0.00 N ATOM 171 CA GLU A 11 5.643 12.345 1.304 1.00 0.00 C ATOM 172 C GLU A 11 6.511 12.314 0.039 1.00 0.00 C ATOM 173 O GLU A 11 7.584 11.713 0.026 1.00 0.00 O ATOM 174 CB GLU A 11 6.134 11.364 2.386 1.00 0.00 C ATOM 175 CG GLU A 11 6.032 9.870 2.025 1.00 0.00 C ATOM 176 CD GLU A 11 4.656 9.266 2.297 1.00 0.00 C ATOM 177 OE1 GLU A 11 3.799 9.333 1.388 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.474 8.746 3.419 1.00 0.00 O ATOM 0 H GLU A 11 3.943 11.141 1.189 1.00 0.00 H new ATOM 0 HA GLU A 11 5.734 13.348 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.175 11.594 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.562 11.539 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.273 9.743 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.781 9.316 2.592 1.00 0.00 H new ATOM 185 N ASP A 12 6.068 12.996 -1.022 1.00 0.00 N ATOM 186 CA ASP A 12 6.657 12.882 -2.346 1.00 0.00 C ATOM 187 C ASP A 12 7.771 13.916 -2.495 1.00 0.00 C ATOM 188 O ASP A 12 7.706 14.801 -3.347 1.00 0.00 O ATOM 189 CB ASP A 12 5.567 13.015 -3.418 1.00 0.00 C ATOM 190 CG ASP A 12 4.505 11.918 -3.350 1.00 0.00 C ATOM 191 OD1 ASP A 12 4.646 10.998 -2.515 1.00 0.00 O ATOM 192 OD2 ASP A 12 3.556 12.012 -4.159 1.00 0.00 O ATOM 0 H ASP A 12 5.283 13.646 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 12 7.108 11.899 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.082 13.986 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.034 12.997 -4.403 1.00 0.00 H new ATOM 197 N ASP A 13 8.801 13.781 -1.653 1.00 0.00 N ATOM 198 CA ASP A 13 9.998 14.601 -1.687 1.00 0.00 C ATOM 199 C ASP A 13 10.787 14.307 -2.963 1.00 0.00 C ATOM 200 O ASP A 13 10.860 15.143 -3.861 1.00 0.00 O ATOM 201 CB ASP A 13 10.810 14.351 -0.407 1.00 0.00 C ATOM 202 CG ASP A 13 12.167 15.049 -0.437 1.00 0.00 C ATOM 203 OD1 ASP A 13 12.181 16.274 -0.683 1.00 0.00 O ATOM 204 OD2 ASP A 13 13.182 14.345 -0.244 1.00 0.00 O ATOM 0 H ASP A 13 8.817 13.078 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 13 9.745 15.661 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.242 14.702 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.958 13.279 -0.277 1.00 0.00 H new ATOM 209 N LYS A 14 11.384 13.113 -3.025 1.00 0.00 N ATOM 210 CA LYS A 14 12.337 12.706 -4.047 1.00 0.00 C ATOM 211 C LYS A 14 12.210 11.193 -4.218 1.00 0.00 C ATOM 212 O LYS A 14 12.931 10.436 -3.571 1.00 0.00 O ATOM 213 CB LYS A 14 13.767 13.088 -3.630 1.00 0.00 C ATOM 214 CG LYS A 14 14.012 14.601 -3.562 1.00 0.00 C ATOM 215 CD LYS A 14 15.438 14.888 -3.075 1.00 0.00 C ATOM 216 CE LYS A 14 15.601 16.336 -2.598 1.00 0.00 C ATOM 217 NZ LYS A 14 14.912 16.578 -1.317 1.00 0.00 N ATOM 0 H LYS A 14 11.206 12.381 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 14 12.127 13.212 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.979 12.651 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.471 12.647 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.860 15.045 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.290 15.063 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.687 14.208 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.143 14.690 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.661 16.564 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.206 17.013 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.198 17.504 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.883 16.569 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.168 15.833 -0.639 1.00 0.00 H new ATOM 231 N LEU A 15 11.290 10.742 -5.080 1.00 0.00 N ATOM 232 CA LEU A 15 11.093 9.320 -5.324 1.00 0.00 C ATOM 233 C LEU A 15 12.295 8.754 -6.080 1.00 0.00 C ATOM 234 O LEU A 15 12.565 9.150 -7.212 1.00 0.00 O ATOM 235 CB LEU A 15 9.799 9.053 -6.107 1.00 0.00 C ATOM 236 CG LEU A 15 8.534 9.072 -5.234 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.206 10.466 -4.690 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.349 8.577 -6.069 1.00 0.00 C ATOM 0 H LEU A 15 10.672 11.349 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 15 11.002 8.821 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.699 9.802 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.876 8.083 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 15 8.720 8.423 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.303 10.416 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.036 10.823 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.046 11.153 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.445 8.586 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.212 9.231 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.545 7.561 -6.412 1.00 0.00 H new ATOM 250 N ILE A 16 13.012 7.828 -5.434 1.00 0.00 N ATOM 251 CA ILE A 16 14.047 7.021 -6.055 1.00 0.00 C ATOM 252 C ILE A 16 13.381 5.950 -6.923 1.00 0.00 C ATOM 253 O ILE A 16 13.133 4.826 -6.490 1.00 0.00 O ATOM 254 CB ILE A 16 15.041 6.487 -4.999 1.00 0.00 C ATOM 255 CG1 ILE A 16 16.039 5.502 -5.637 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.365 5.866 -3.765 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.358 5.427 -4.862 1.00 0.00 C ATOM 0 H ILE A 16 12.880 7.621 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 16 14.666 7.621 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 16 15.584 7.358 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.589 4.510 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.240 5.807 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.128 5.515 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.745 6.616 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.742 5.027 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.028 4.720 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.824 6.412 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.162 5.096 -3.842 1.00 0.00 H new ATOM 269 N LEU A 17 13.084 6.326 -8.172 1.00 0.00 N ATOM 270 CA LEU A 17 12.655 5.414 -9.215 1.00 0.00 C ATOM 271 C LEU A 17 13.846 4.536 -9.597 1.00 0.00 C ATOM 272 O LEU A 17 14.896 5.046 -9.984 1.00 0.00 O ATOM 273 CB LEU A 17 12.168 6.225 -10.423 1.00 0.00 C ATOM 274 CG LEU A 17 10.775 6.832 -10.191 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.632 8.141 -10.976 1.00 0.00 C ATOM 276 CD2 LEU A 17 9.685 5.853 -10.642 1.00 0.00 C ATOM 0 H LEU A 17 13.139 7.296 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 17 11.835 4.783 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.880 7.023 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.140 5.582 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 17 10.662 7.032 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.641 8.562 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.390 8.850 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.763 7.943 -12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.704 6.297 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.806 5.637 -11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.769 4.928 -10.072 1.00 0.00 H new ATOM 288 N CYS A 18 13.675 3.216 -9.481 1.00 0.00 N ATOM 289 CA CYS A 18 14.709 2.245 -9.790 1.00 0.00 C ATOM 290 C CYS A 18 14.949 2.222 -11.297 1.00 0.00 C ATOM 291 O CYS A 18 14.067 1.829 -12.056 1.00 0.00 O ATOM 292 CB CYS A 18 14.281 0.873 -9.268 1.00 0.00 C ATOM 293 SG CYS A 18 15.279 -0.506 -9.866 1.00 0.00 S ATOM 0 H CYS A 18 12.801 2.794 -9.165 1.00 0.00 H new ATOM 0 HA CYS A 18 15.646 2.518 -9.304 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.319 0.886 -8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.242 0.700 -9.549 1.00 0.00 H new ATOM 0 HG CYS A 18 14.502 -1.500 -10.180 1.00 0.00 H new ATOM 298 N ASP A 19 16.146 2.641 -11.723 1.00 0.00 N ATOM 299 CA ASP A 19 16.517 2.740 -13.127 1.00 0.00 C ATOM 300 C ASP A 19 16.412 1.381 -13.819 1.00 0.00 C ATOM 301 O ASP A 19 15.846 1.281 -14.906 1.00 0.00 O ATOM 302 CB ASP A 19 17.936 3.312 -13.234 1.00 0.00 C ATOM 303 CG ASP A 19 18.360 3.491 -14.688 1.00 0.00 C ATOM 304 OD1 ASP A 19 17.930 4.503 -15.284 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.102 2.613 -15.178 1.00 0.00 O ATOM 0 H ASP A 19 16.891 2.924 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 19 15.825 3.412 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.982 4.272 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.636 2.647 -12.729 1.00 0.00 H new ATOM 310 N GLU A 20 16.937 0.341 -13.161 1.00 0.00 N ATOM 311 CA GLU A 20 17.128 -0.983 -13.728 1.00 0.00 C ATOM 312 C GLU A 20 15.803 -1.578 -14.213 1.00 0.00 C ATOM 313 O GLU A 20 15.666 -1.883 -15.396 1.00 0.00 O ATOM 314 CB GLU A 20 17.788 -1.896 -12.686 1.00 0.00 C ATOM 315 CG GLU A 20 19.201 -1.434 -12.304 1.00 0.00 C ATOM 316 CD GLU A 20 19.870 -2.419 -11.348 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.990 -3.600 -11.738 1.00 0.00 O ATOM 318 OE2 GLU A 20 20.248 -1.979 -10.240 1.00 0.00 O ATOM 0 H GLU A 20 17.247 0.408 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 20 17.782 -0.900 -14.596 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.166 -1.928 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.836 -2.912 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.807 -1.330 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.150 -0.450 -11.838 1.00 0.00 H new ATOM 325 N CYS A 21 14.845 -1.758 -13.293 1.00 0.00 N ATOM 326 CA CYS A 21 13.610 -2.501 -13.532 1.00 0.00 C ATOM 327 C CYS A 21 12.349 -1.649 -13.331 1.00 0.00 C ATOM 328 O CYS A 21 11.249 -2.198 -13.344 1.00 0.00 O ATOM 329 CB CYS A 21 13.603 -3.788 -12.696 1.00 0.00 C ATOM 330 SG CYS A 21 13.616 -3.580 -10.900 1.00 0.00 S ATOM 0 H CYS A 21 14.912 -1.383 -12.347 1.00 0.00 H new ATOM 0 HA CYS A 21 13.586 -2.783 -14.585 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.720 -4.366 -12.967 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.472 -4.383 -12.977 1.00 0.00 H new ATOM 0 HG CYS A 21 14.841 -3.617 -10.468 1.00 0.00 H new ATOM 335 N ASN A 22 12.491 -0.326 -13.150 1.00 0.00 N ATOM 336 CA ASN A 22 11.393 0.638 -13.180 1.00 0.00 C ATOM 337 C ASN A 22 10.343 0.363 -12.100 1.00 0.00 C ATOM 338 O ASN A 22 9.253 -0.126 -12.392 1.00 0.00 O ATOM 339 CB ASN A 22 10.797 0.723 -14.595 1.00 0.00 C ATOM 340 CG ASN A 22 11.875 0.885 -15.669 1.00 0.00 C ATOM 341 OD1 ASN A 22 11.916 0.115 -16.624 1.00 0.00 O ATOM 342 ND2 ASN A 22 12.769 1.864 -15.506 1.00 0.00 N ATOM 0 H ASN A 22 13.397 0.108 -12.975 1.00 0.00 H new ATOM 0 HA ASN A 22 11.797 1.621 -12.936 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.217 -0.178 -14.798 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.106 1.565 -14.646 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.517 1.990 -16.188 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.704 2.485 -14.700 1.00 0.00 H new ATOM 349 N LYS A 23 10.684 0.694 -10.849 1.00 0.00 N ATOM 350 CA LYS A 23 9.846 0.536 -9.680 1.00 0.00 C ATOM 351 C LYS A 23 9.970 1.792 -8.813 1.00 0.00 C ATOM 352 O LYS A 23 11.082 2.222 -8.507 1.00 0.00 O ATOM 353 CB LYS A 23 10.327 -0.699 -8.910 1.00 0.00 C ATOM 354 CG LYS A 23 10.201 -2.019 -9.687 1.00 0.00 C ATOM 355 CD LYS A 23 8.740 -2.439 -9.913 1.00 0.00 C ATOM 356 CE LYS A 23 8.630 -3.638 -10.862 1.00 0.00 C ATOM 357 NZ LYS A 23 8.891 -3.256 -12.263 1.00 0.00 N ATOM 0 H LYS A 23 11.594 1.096 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 23 8.801 0.403 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.370 -0.554 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.757 -0.780 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.698 -1.917 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.721 -2.807 -9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.282 -2.690 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.180 -1.599 -10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.339 -4.408 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.634 -4.073 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.741 -4.079 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.243 -2.491 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.874 -2.928 -12.356 1.00 0.00 H new ATOM 371 N ALA A 24 8.830 2.381 -8.431 1.00 0.00 N ATOM 372 CA ALA A 24 8.766 3.620 -7.668 1.00 0.00 C ATOM 373 C ALA A 24 8.952 3.333 -6.180 1.00 0.00 C ATOM 374 O ALA A 24 8.317 2.428 -5.641 1.00 0.00 O ATOM 375 CB ALA A 24 7.417 4.302 -7.919 1.00 0.00 C ATOM 0 H ALA A 24 7.911 1.997 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 24 9.567 4.285 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.367 5.230 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.313 4.523 -8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.610 3.639 -7.606 1.00 0.00 H new ATOM 381 N PHE A 25 9.819 4.108 -5.521 1.00 0.00 N ATOM 382 CA PHE A 25 10.094 4.005 -4.097 1.00 0.00 C ATOM 383 C PHE A 25 10.401 5.392 -3.542 1.00 0.00 C ATOM 384 O PHE A 25 11.081 6.175 -4.202 1.00 0.00 O ATOM 385 CB PHE A 25 11.335 3.128 -3.866 1.00 0.00 C ATOM 386 CG PHE A 25 11.103 1.633 -3.781 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.036 0.859 -4.954 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.165 0.994 -2.528 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.993 -0.544 -4.874 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.189 -0.410 -2.453 1.00 0.00 C ATOM 391 CZ PHE A 25 11.081 -1.179 -3.624 1.00 0.00 C ATOM 0 H PHE A 25 10.359 4.841 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 25 9.225 3.570 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.041 3.318 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.814 3.452 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.018 1.344 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.194 1.583 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.892 -1.133 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.291 -0.898 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.066 -2.257 -3.563 1.00 0.00 H new ATOM 401 N HIS A 26 9.899 5.699 -2.341 1.00 0.00 N ATOM 402 CA HIS A 26 10.348 6.875 -1.611 1.00 0.00 C ATOM 403 C HIS A 26 11.692 6.497 -0.986 1.00 0.00 C ATOM 404 O HIS A 26 11.952 5.316 -0.760 1.00 0.00 O ATOM 405 CB HIS A 26 9.366 7.255 -0.503 1.00 0.00 C ATOM 406 CG HIS A 26 7.981 7.620 -0.968 1.00 0.00 C ATOM 407 ND1 HIS A 26 6.852 6.815 -0.826 1.00 0.00 N ATOM 408 CD2 HIS A 26 7.617 8.835 -1.474 1.00 0.00 C ATOM 409 CE1 HIS A 26 5.826 7.578 -1.235 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.253 8.788 -1.638 1.00 0.00 N ATOM 0 H HIS A 26 9.186 5.149 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 26 10.425 7.731 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.289 6.420 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.779 8.097 0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.269 9.666 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.793 7.262 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.667 9.540 -2.002 1.00 0.00 H new ATOM 418 N LEU A 27 12.542 7.482 -0.686 1.00 0.00 N ATOM 419 CA LEU A 27 13.832 7.232 -0.053 1.00 0.00 C ATOM 420 C LEU A 27 13.657 6.489 1.273 1.00 0.00 C ATOM 421 O LEU A 27 14.357 5.512 1.523 1.00 0.00 O ATOM 422 CB LEU A 27 14.590 8.549 0.129 1.00 0.00 C ATOM 423 CG LEU A 27 15.030 9.142 -1.219 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.363 10.625 -1.046 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.258 8.421 -1.788 1.00 0.00 C ATOM 0 H LEU A 27 12.354 8.467 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 27 14.425 6.588 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.956 9.265 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.466 8.381 0.756 1.00 0.00 H new ATOM 0 HG LEU A 27 14.203 9.014 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.675 11.042 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.481 11.157 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.171 10.735 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.535 8.872 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.089 8.511 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.024 7.367 -1.939 1.00 0.00 H new ATOM 437 N PHE A 28 12.682 6.915 2.084 1.00 0.00 N ATOM 438 CA PHE A 28 12.323 6.269 3.343 1.00 0.00 C ATOM 439 C PHE A 28 12.020 4.783 3.129 1.00 0.00 C ATOM 440 O PHE A 28 12.531 3.928 3.847 1.00 0.00 O ATOM 441 CB PHE A 28 11.103 6.954 3.987 1.00 0.00 C ATOM 442 CG PHE A 28 10.903 8.415 3.632 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.849 9.382 4.019 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.847 8.775 2.776 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.714 10.713 3.581 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.734 10.094 2.312 1.00 0.00 C ATOM 447 CZ PHE A 28 10.646 11.072 2.740 1.00 0.00 C ATOM 0 H PHE A 28 12.112 7.735 1.876 1.00 0.00 H new ATOM 0 HA PHE A 28 13.177 6.364 4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.207 6.404 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.194 6.872 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.678 9.103 4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.121 8.034 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.431 11.459 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.944 10.358 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.527 12.098 2.424 1.00 0.00 H new ATOM 457 N CYS A 29 11.164 4.487 2.142 1.00 0.00 N ATOM 458 CA CYS A 29 10.701 3.137 1.858 1.00 0.00 C ATOM 459 C CYS A 29 11.830 2.277 1.284 1.00 0.00 C ATOM 460 O CYS A 29 11.846 1.066 1.499 1.00 0.00 O ATOM 461 CB CYS A 29 9.520 3.188 0.886 1.00 0.00 C ATOM 462 SG CYS A 29 8.111 4.192 1.428 1.00 0.00 S ATOM 0 H CYS A 29 10.774 5.191 1.516 1.00 0.00 H new ATOM 0 HA CYS A 29 10.375 2.679 2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.874 3.575 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.173 2.170 0.709 1.00 0.00 H new ATOM 0 HG CYS A 29 7.842 5.087 0.524 1.00 0.00 H new ATOM 467 N LEU A 30 12.765 2.900 0.555 1.00 0.00 N ATOM 468 CA LEU A 30 13.992 2.273 0.090 1.00 0.00 C ATOM 469 C LEU A 30 14.801 1.785 1.294 1.00 0.00 C ATOM 470 O LEU A 30 14.974 0.581 1.478 1.00 0.00 O ATOM 471 CB LEU A 30 14.761 3.270 -0.803 1.00 0.00 C ATOM 472 CG LEU A 30 15.680 2.647 -1.863 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.718 1.684 -1.284 1.00 0.00 C ATOM 474 CD2 LEU A 30 14.866 1.984 -2.978 1.00 0.00 C ATOM 0 H LEU A 30 12.680 3.876 0.270 1.00 0.00 H new ATOM 0 HA LEU A 30 13.780 1.396 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.037 3.909 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.362 3.914 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 30 16.248 3.473 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.332 1.282 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.353 2.216 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.210 0.866 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.543 1.551 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.241 1.198 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.234 2.730 -3.460 1.00 0.00 H new ATOM 486 N ARG A 31 15.275 2.727 2.115 1.00 0.00 N ATOM 487 CA ARG A 31 15.882 2.486 3.418 1.00 0.00 C ATOM 488 C ARG A 31 15.541 3.678 4.315 1.00 0.00 C ATOM 489 O ARG A 31 15.702 4.814 3.874 1.00 0.00 O ATOM 490 CB ARG A 31 17.412 2.381 3.295 1.00 0.00 C ATOM 491 CG ARG A 31 17.898 1.123 2.566 1.00 0.00 C ATOM 492 CD ARG A 31 19.424 1.133 2.415 1.00 0.00 C ATOM 493 NE ARG A 31 20.111 1.066 3.714 1.00 0.00 N ATOM 494 CZ ARG A 31 20.529 -0.051 4.333 1.00 0.00 C ATOM 495 NH1 ARG A 31 20.299 -1.265 3.811 1.00 0.00 N ATOM 496 NH2 ARG A 31 21.191 0.051 5.494 1.00 0.00 N ATOM 0 H ARG A 31 15.243 3.718 1.875 1.00 0.00 H new ATOM 0 HA ARG A 31 15.503 1.551 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.784 3.260 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.848 2.400 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.589 0.236 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.432 1.065 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 31 19.732 0.288 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.730 2.038 1.890 1.00 0.00 H new ATOM 0 HE ARG A 31 20.287 1.951 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.798 -1.353 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.625 -2.100 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.373 0.970 5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.513 -0.790 5.973 1.00 0.00 H new ATOM 510 N PRO A 32 15.106 3.461 5.567 1.00 0.00 N ATOM 511 CA PRO A 32 14.631 4.528 6.441 1.00 0.00 C ATOM 512 C PRO A 32 15.711 5.592 6.680 1.00 0.00 C ATOM 513 O PRO A 32 15.389 6.768 6.829 1.00 0.00 O ATOM 514 CB PRO A 32 14.219 3.833 7.742 1.00 0.00 C ATOM 515 CG PRO A 32 15.122 2.600 7.784 1.00 0.00 C ATOM 516 CD PRO A 32 15.252 2.219 6.310 1.00 0.00 C ATOM 0 HA PRO A 32 13.796 5.068 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.375 4.476 8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.164 3.559 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.091 2.824 8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.679 1.795 8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.217 1.754 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.486 1.499 6.023 1.00 0.00 H new ATOM 524 N ALA A 33 16.985 5.177 6.688 1.00 0.00 N ATOM 525 CA ALA A 33 18.141 6.054 6.813 1.00 0.00 C ATOM 526 C ALA A 33 18.237 7.092 5.691 1.00 0.00 C ATOM 527 O ALA A 33 18.729 8.193 5.929 1.00 0.00 O ATOM 528 CB ALA A 33 19.411 5.199 6.861 1.00 0.00 C ATOM 0 H ALA A 33 17.239 4.193 6.605 1.00 0.00 H new ATOM 0 HA ALA A 33 18.026 6.621 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.283 5.847 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.365 4.527 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.491 4.614 5.945 1.00 0.00 H new ATOM 534 N LEU A 34 17.811 6.743 4.470 1.00 0.00 N ATOM 535 CA LEU A 34 17.891 7.641 3.327 1.00 0.00 C ATOM 536 C LEU A 34 16.807 8.715 3.429 1.00 0.00 C ATOM 537 O LEU A 34 15.617 8.402 3.460 1.00 0.00 O ATOM 538 CB LEU A 34 17.750 6.877 2.003 1.00 0.00 C ATOM 539 CG LEU A 34 18.897 5.903 1.693 1.00 0.00 C ATOM 540 CD1 LEU A 34 18.527 5.099 0.440 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.223 6.631 1.445 1.00 0.00 C ATOM 0 H LEU A 34 17.404 5.833 4.255 1.00 0.00 H new ATOM 0 HA LEU A 34 18.873 8.114 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.814 6.319 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.676 7.599 1.190 1.00 0.00 H new ATOM 0 HG LEU A 34 19.034 5.253 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.331 4.402 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.607 4.544 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.380 5.779 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.004 5.902 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.114 7.307 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.495 7.203 2.332 1.00 0.00 H new ATOM 553 N TYR A 35 17.243 9.978 3.473 1.00 0.00 N ATOM 554 CA TYR A 35 16.410 11.170 3.351 1.00 0.00 C ATOM 555 C TYR A 35 16.803 11.972 2.103 1.00 0.00 C ATOM 556 O TYR A 35 16.057 12.853 1.678 1.00 0.00 O ATOM 557 CB TYR A 35 16.561 12.015 4.620 1.00 0.00 C ATOM 558 CG TYR A 35 16.288 11.242 5.896 1.00 0.00 C ATOM 559 CD1 TYR A 35 14.987 10.781 6.168 1.00 0.00 C ATOM 560 CD2 TYR A 35 17.348 10.883 6.750 1.00 0.00 C ATOM 561 CE1 TYR A 35 14.746 9.959 7.282 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.104 10.076 7.874 1.00 0.00 C ATOM 563 CZ TYR A 35 15.808 9.600 8.132 1.00 0.00 C ATOM 564 OH TYR A 35 15.581 8.789 9.206 1.00 0.00 O ATOM 0 H TYR A 35 18.230 10.203 3.600 1.00 0.00 H new ATOM 0 HA TYR A 35 15.365 10.880 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.572 12.420 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 35 15.879 12.864 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.171 11.060 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.350 11.228 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.747 9.603 7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.914 9.821 8.541 1.00 0.00 H new ATOM 0 HH TYR A 35 15.483 7.863 8.902 1.00 0.00 H new ATOM 574 N GLU A 36 17.965 11.655 1.517 1.00 0.00 N ATOM 575 CA GLU A 36 18.594 12.321 0.391 1.00 0.00 C ATOM 576 C GLU A 36 18.974 11.267 -0.652 1.00 0.00 C ATOM 577 O GLU A 36 19.120 10.088 -0.325 1.00 0.00 O ATOM 578 CB GLU A 36 19.821 13.115 0.874 1.00 0.00 C ATOM 579 CG GLU A 36 20.892 12.276 1.597 1.00 0.00 C ATOM 580 CD GLU A 36 20.464 11.821 2.994 1.00 0.00 C ATOM 581 OE1 GLU A 36 20.537 12.665 3.913 1.00 0.00 O ATOM 582 OE2 GLU A 36 20.048 10.647 3.112 1.00 0.00 O ATOM 0 H GLU A 36 18.523 10.868 1.849 1.00 0.00 H new ATOM 0 HA GLU A 36 17.906 13.031 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.281 13.603 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.484 13.904 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.126 11.399 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 36 21.808 12.861 1.678 1.00 0.00 H new ATOM 589 N VAL A 37 19.111 11.686 -1.914 1.00 0.00 N ATOM 590 CA VAL A 37 19.256 10.774 -3.043 1.00 0.00 C ATOM 591 C VAL A 37 20.673 10.185 -3.067 1.00 0.00 C ATOM 592 O VAL A 37 21.635 10.932 -2.899 1.00 0.00 O ATOM 593 CB VAL A 37 18.933 11.510 -4.356 1.00 0.00 C ATOM 594 CG1 VAL A 37 19.197 10.632 -5.589 1.00 0.00 C ATOM 595 CG2 VAL A 37 17.462 11.948 -4.380 1.00 0.00 C ATOM 0 H VAL A 37 19.124 12.671 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 37 18.552 9.949 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 37 19.589 12.379 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.955 11.192 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.248 10.343 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.575 9.738 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.252 12.467 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.820 11.071 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.268 12.618 -3.542 1.00 0.00 H new ATOM 605 N PRO A 38 20.822 8.862 -3.264 1.00 0.00 N ATOM 606 CA PRO A 38 22.117 8.261 -3.536 1.00 0.00 C ATOM 607 C PRO A 38 22.394 8.405 -5.029 1.00 0.00 C ATOM 608 O PRO A 38 21.776 7.713 -5.839 1.00 0.00 O ATOM 609 CB PRO A 38 22.008 6.795 -3.113 1.00 0.00 C ATOM 610 CG PRO A 38 20.516 6.493 -3.231 1.00 0.00 C ATOM 611 CD PRO A 38 19.859 7.833 -2.897 1.00 0.00 C ATOM 0 HA PRO A 38 22.937 8.734 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.600 6.147 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.368 6.644 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.252 6.154 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.208 5.710 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.927 7.958 -3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.612 7.892 -1.837 1.00 0.00 H new ATOM 619 N ASP A 39 23.311 9.309 -5.391 1.00 0.00 N ATOM 620 CA ASP A 39 23.574 9.670 -6.776 1.00 0.00 C ATOM 621 C ASP A 39 24.521 8.653 -7.419 1.00 0.00 C ATOM 622 O ASP A 39 25.613 8.994 -7.869 1.00 0.00 O ATOM 623 CB ASP A 39 24.103 11.107 -6.851 1.00 0.00 C ATOM 624 CG ASP A 39 23.058 12.104 -6.357 1.00 0.00 C ATOM 625 OD1 ASP A 39 22.053 12.277 -7.081 1.00 0.00 O ATOM 626 OD2 ASP A 39 23.277 12.667 -5.263 1.00 0.00 O ATOM 0 H ASP A 39 23.893 9.811 -4.720 1.00 0.00 H new ATOM 0 HA ASP A 39 22.647 9.640 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.008 11.196 -6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.378 11.343 -7.879 1.00 0.00 H new ATOM 631 N GLY A 40 24.073 7.395 -7.470 1.00 0.00 N ATOM 632 CA GLY A 40 24.780 6.287 -8.088 1.00 0.00 C ATOM 633 C GLY A 40 23.882 5.054 -8.062 1.00 0.00 C ATOM 634 O GLY A 40 23.573 4.486 -9.109 1.00 0.00 O ATOM 0 H GLY A 40 23.178 7.119 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.049 6.536 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.710 6.088 -7.555 1.00 0.00 H new ATOM 638 N GLU A 41 23.442 4.664 -6.860 1.00 0.00 N ATOM 639 CA GLU A 41 22.670 3.452 -6.628 1.00 0.00 C ATOM 640 C GLU A 41 21.186 3.725 -6.879 1.00 0.00 C ATOM 641 O GLU A 41 20.360 3.602 -5.974 1.00 0.00 O ATOM 642 CB GLU A 41 22.926 2.936 -5.203 1.00 0.00 C ATOM 643 CG GLU A 41 24.418 2.735 -4.897 1.00 0.00 C ATOM 644 CD GLU A 41 25.100 1.830 -5.919 1.00 0.00 C ATOM 645 OE1 GLU A 41 24.765 0.627 -5.925 1.00 0.00 O ATOM 646 OE2 GLU A 41 25.936 2.363 -6.682 1.00 0.00 O ATOM 0 H GLU A 41 23.620 5.197 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 41 22.985 2.674 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.505 3.641 -4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.402 1.990 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.918 3.704 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 41 24.528 2.304 -3.902 1.00 0.00 H new ATOM 653 N TRP A 42 20.849 4.077 -8.124 1.00 0.00 N ATOM 654 CA TRP A 42 19.485 4.325 -8.563 1.00 0.00 C ATOM 655 C TRP A 42 18.789 2.995 -8.855 1.00 0.00 C ATOM 656 O TRP A 42 18.505 2.670 -10.007 1.00 0.00 O ATOM 657 CB TRP A 42 19.510 5.249 -9.785 1.00 0.00 C ATOM 658 CG TRP A 42 20.172 6.575 -9.564 1.00 0.00 C ATOM 659 CD1 TRP A 42 19.737 7.533 -8.717 1.00 0.00 C ATOM 660 CD2 TRP A 42 21.384 7.109 -10.181 1.00 0.00 C ATOM 661 NE1 TRP A 42 20.567 8.631 -8.791 1.00 0.00 N ATOM 662 CE2 TRP A 42 21.599 8.428 -9.684 1.00 0.00 C ATOM 663 CE3 TRP A 42 22.322 6.618 -11.117 1.00 0.00 C ATOM 664 CZ2 TRP A 42 22.676 9.224 -10.105 1.00 0.00 C ATOM 665 CZ3 TRP A 42 23.421 7.398 -11.525 1.00 0.00 C ATOM 666 CH2 TRP A 42 23.597 8.698 -11.023 1.00 0.00 C ATOM 0 H TRP A 42 21.538 4.198 -8.866 1.00 0.00 H new ATOM 0 HA TRP A 42 18.915 4.824 -7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.022 4.736 -10.599 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.485 5.422 -10.112 1.00 0.00 H new ATOM 0 HD1 TRP A 42 18.870 7.451 -8.078 1.00 0.00 H new ATOM 0 HE1 TRP A 42 20.435 9.487 -8.253 1.00 0.00 H new ATOM 0 HE3 TRP A 42 22.194 5.627 -11.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 22.794 10.229 -9.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 24.134 6.994 -12.229 1.00 0.00 H new ATOM 0 HH2 TRP A 42 24.440 9.292 -11.343 1.00 0.00 H new ATOM 677 N GLN A 43 18.520 2.226 -7.795 1.00 0.00 N ATOM 678 CA GLN A 43 18.000 0.868 -7.875 1.00 0.00 C ATOM 679 C GLN A 43 17.016 0.608 -6.733 1.00 0.00 C ATOM 680 O GLN A 43 16.762 1.504 -5.930 1.00 0.00 O ATOM 681 CB GLN A 43 19.155 -0.142 -7.897 1.00 0.00 C ATOM 682 CG GLN A 43 20.049 -0.068 -6.652 1.00 0.00 C ATOM 683 CD GLN A 43 20.970 -1.278 -6.493 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.371 -1.591 -5.375 1.00 0.00 O ATOM 685 NE2 GLN A 43 21.318 -1.965 -7.584 1.00 0.00 N ATOM 0 H GLN A 43 18.663 2.544 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 43 17.448 0.745 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 43 18.747 -1.149 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 43 19.764 0.032 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.655 0.837 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 43 19.420 0.019 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 43 20.969 -1.680 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.933 -2.774 -7.502 1.00 0.00 H new ATOM 694 N CYS A 44 16.454 -0.608 -6.673 1.00 0.00 N ATOM 695 CA CYS A 44 15.668 -1.092 -5.542 1.00 0.00 C ATOM 696 C CYS A 44 16.364 -2.298 -4.889 1.00 0.00 C ATOM 697 O CYS A 44 17.227 -2.917 -5.513 1.00 0.00 O ATOM 698 CB CYS A 44 14.239 -1.412 -5.992 1.00 0.00 C ATOM 699 SG CYS A 44 14.101 -2.731 -7.214 1.00 0.00 S ATOM 0 H CYS A 44 16.538 -1.291 -7.426 1.00 0.00 H new ATOM 0 HA CYS A 44 15.599 -0.312 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.651 -1.686 -5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.793 -0.507 -6.405 1.00 0.00 H new ATOM 0 HG CYS A 44 14.463 -2.283 -8.379 1.00 0.00 H new ATOM 704 N PRO A 45 15.993 -2.647 -3.642 1.00 0.00 N ATOM 705 CA PRO A 45 16.474 -3.829 -2.936 1.00 0.00 C ATOM 706 C PRO A 45 16.329 -5.163 -3.675 1.00 0.00 C ATOM 707 O PRO A 45 17.004 -6.122 -3.311 1.00 0.00 O ATOM 708 CB PRO A 45 15.713 -3.847 -1.612 1.00 0.00 C ATOM 709 CG PRO A 45 15.573 -2.360 -1.302 1.00 0.00 C ATOM 710 CD PRO A 45 15.379 -1.736 -2.684 1.00 0.00 C ATOM 0 HA PRO A 45 17.554 -3.745 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.744 -4.337 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.263 -4.375 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.724 -2.163 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.459 -1.967 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.320 -1.600 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.844 -0.751 -2.733 1.00 0.00 H new ATOM 718 N ALA A 46 15.454 -5.250 -4.684 1.00 0.00 N ATOM 719 CA ALA A 46 15.308 -6.456 -5.487 1.00 0.00 C ATOM 720 C ALA A 46 16.555 -6.700 -6.339 1.00 0.00 C ATOM 721 O ALA A 46 16.918 -7.852 -6.569 1.00 0.00 O ATOM 722 CB ALA A 46 14.061 -6.352 -6.366 1.00 0.00 C ATOM 0 H ALA A 46 14.834 -4.489 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 46 15.193 -7.307 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.960 -7.258 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.180 -6.233 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.153 -5.490 -7.027 1.00 0.00 H new ATOM 728 N CYS A 47 17.195 -5.628 -6.827 1.00 0.00 N ATOM 729 CA CYS A 47 18.265 -5.729 -7.800 1.00 0.00 C ATOM 730 C CYS A 47 19.532 -6.278 -7.143 1.00 0.00 C ATOM 731 O CYS A 47 20.073 -7.292 -7.580 1.00 0.00 O ATOM 732 CB CYS A 47 18.524 -4.363 -8.437 1.00 0.00 C ATOM 733 SG CYS A 47 17.127 -3.645 -9.337 1.00 0.00 S ATOM 0 H CYS A 47 16.977 -4.671 -6.551 1.00 0.00 H new ATOM 0 HA CYS A 47 17.966 -6.423 -8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 47 18.825 -3.667 -7.654 1.00 0.00 H new ATOM 0 HB3 CYS A 47 19.367 -4.455 -9.122 1.00 0.00 H new ATOM 0 HG CYS A 47 16.164 -3.381 -8.504 1.00 0.00 H new ATOM 738 N GLN A 48 19.990 -5.608 -6.079 1.00 0.00 N ATOM 739 CA GLN A 48 21.060 -6.083 -5.220 1.00 0.00 C ATOM 740 C GLN A 48 20.603 -7.295 -4.397 1.00 0.00 C ATOM 741 O GLN A 48 19.402 -7.528 -4.268 1.00 0.00 O ATOM 742 CB GLN A 48 21.552 -4.917 -4.350 1.00 0.00 C ATOM 743 CG GLN A 48 20.490 -4.292 -3.427 1.00 0.00 C ATOM 744 CD GLN A 48 20.416 -4.971 -2.062 1.00 0.00 C ATOM 745 OE1 GLN A 48 21.206 -4.657 -1.178 1.00 0.00 O ATOM 746 NE2 GLN A 48 19.466 -5.886 -1.870 1.00 0.00 N ATOM 0 H GLN A 48 19.614 -4.704 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 48 21.900 -6.432 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 48 22.382 -5.268 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 48 21.946 -4.138 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 48 20.713 -3.234 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 48 19.515 -4.352 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.826 -6.123 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.379 -6.349 -0.965 1.00 0.00 H new