USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 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 17 SER OG : rot 84:sc= 1.22 USER MOD Set 1.2: A 48 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.363 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -160:sc= 0.619 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc=0.000869 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 13:sc= -0.382 USER MOD Single : A 46 MET CE :methyl -148:sc= -2.11 (180deg=-3.23!) USER MOD Single : A 54 SER OG : rot 100:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -65:sc= 0.439 USER MOD Single : A 79 ASN : amide:sc= 0.178 K(o=0.18,f=-13!) USER MOD Single : A 87 SXD O33 : rot 35:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.334 13.364 3.481 1.00 3.46 N ATOM 2 CA MET A 1 -17.479 12.458 3.345 1.00 2.87 C ATOM 3 C MET A 1 -16.994 11.044 3.010 1.00 2.37 C ATOM 4 O MET A 1 -17.172 10.106 3.796 1.00 2.84 O ATOM 5 CB MET A 1 -18.420 12.984 2.251 1.00 3.22 C ATOM 6 CG MET A 1 -19.615 12.095 1.948 1.00 3.84 C ATOM 7 SD MET A 1 -20.643 12.765 0.621 1.00 4.72 S ATOM 8 CE MET A 1 -19.442 12.888 -0.712 1.00 5.39 C ATOM 0 H1 MET A 1 -16.673 14.321 3.708 1.00 3.46 H new ATOM 0 H2 MET A 1 -15.713 13.027 4.244 1.00 3.46 H new ATOM 0 H3 MET A 1 -15.803 13.388 2.587 1.00 3.46 H new ATOM 0 HA MET A 1 -18.024 12.416 4.288 1.00 2.87 H new ATOM 0 HB2 MET A 1 -18.784 13.967 2.548 1.00 3.22 H new ATOM 0 HB3 MET A 1 -17.846 13.120 1.334 1.00 3.22 H new ATOM 0 HG2 MET A 1 -19.265 11.101 1.668 1.00 3.84 H new ATOM 0 HG3 MET A 1 -20.217 11.979 2.849 1.00 3.84 H new ATOM 0 HE1 MET A 1 -19.944 12.742 -1.669 1.00 5.39 H new ATOM 0 HE2 MET A 1 -18.977 13.874 -0.693 1.00 5.39 H new ATOM 0 HE3 MET A 1 -18.676 12.123 -0.584 1.00 5.39 H new ATOM 20 N ALA A 2 -16.365 10.887 1.870 1.00 2.00 N ATOM 21 CA ALA A 2 -15.837 9.612 1.472 1.00 1.85 C ATOM 22 C ALA A 2 -14.344 9.730 1.358 1.00 1.39 C ATOM 23 O ALA A 2 -13.819 10.320 0.402 1.00 1.40 O ATOM 24 CB ALA A 2 -16.451 9.143 0.167 1.00 2.44 C ATOM 0 H ALA A 2 -16.207 11.638 1.198 1.00 2.00 H new ATOM 0 HA ALA A 2 -16.089 8.863 2.223 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -16.030 8.175 -0.106 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -17.530 9.049 0.286 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -16.234 9.867 -0.618 1.00 2.44 H new ATOM 30 N THR A 3 -13.679 9.241 2.351 1.00 1.35 N ATOM 31 CA THR A 3 -12.261 9.315 2.429 1.00 1.15 C ATOM 32 C THR A 3 -11.630 8.187 1.606 1.00 1.02 C ATOM 33 O THR A 3 -11.719 7.014 1.960 1.00 1.25 O ATOM 34 CB THR A 3 -11.857 9.185 3.895 1.00 1.52 C ATOM 35 OG1 THR A 3 -12.650 10.110 4.680 1.00 2.18 O ATOM 36 CG2 THR A 3 -10.383 9.507 4.083 1.00 1.91 C ATOM 0 H THR A 3 -14.115 8.771 3.144 1.00 1.35 H new ATOM 0 HA THR A 3 -11.912 10.266 2.028 1.00 1.15 H new ATOM 0 HB THR A 3 -12.030 8.159 4.219 1.00 1.52 H new ATOM 0 HG1 THR A 3 -12.401 10.035 5.625 1.00 2.18 H new ATOM 0 HG21 THR A 3 -10.120 9.407 5.136 1.00 1.91 H new ATOM 0 HG22 THR A 3 -9.781 8.817 3.492 1.00 1.91 H new ATOM 0 HG23 THR A 3 -10.189 10.529 3.756 1.00 1.91 H new ATOM 44 N LEU A 4 -11.074 8.554 0.486 1.00 0.80 N ATOM 45 CA LEU A 4 -10.384 7.635 -0.375 1.00 0.74 C ATOM 46 C LEU A 4 -8.910 7.692 -0.052 1.00 0.68 C ATOM 47 O LEU A 4 -8.457 8.616 0.653 1.00 0.89 O ATOM 48 CB LEU A 4 -10.628 7.991 -1.844 1.00 0.74 C ATOM 49 CG LEU A 4 -12.092 7.984 -2.305 1.00 0.89 C ATOM 50 CD1 LEU A 4 -12.179 8.317 -3.773 1.00 1.00 C ATOM 51 CD2 LEU A 4 -12.750 6.639 -2.028 1.00 1.10 C ATOM 0 H LEU A 4 -11.087 9.514 0.140 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.757 6.624 -0.213 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.214 8.982 -2.030 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -10.069 7.290 -2.464 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.628 8.744 -1.737 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -13.223 8.309 -4.087 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.756 9.306 -3.947 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -11.621 7.577 -4.348 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -13.786 6.665 -2.365 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -12.214 5.855 -2.562 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.722 6.434 -0.958 1.00 1.10 H new ATOM 63 N LEU A 5 -8.169 6.747 -0.558 1.00 0.59 N ATOM 64 CA LEU A 5 -6.769 6.664 -0.285 1.00 0.61 C ATOM 65 C LEU A 5 -6.052 7.691 -1.127 1.00 0.53 C ATOM 66 O LEU A 5 -6.291 7.795 -2.338 1.00 0.53 O ATOM 67 CB LEU A 5 -6.250 5.249 -0.574 1.00 0.76 C ATOM 68 CG LEU A 5 -4.786 4.982 -0.223 1.00 0.75 C ATOM 69 CD1 LEU A 5 -4.551 5.187 1.260 1.00 1.16 C ATOM 70 CD2 LEU A 5 -4.388 3.576 -0.634 1.00 1.48 C ATOM 0 H LEU A 5 -8.523 6.013 -1.172 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.582 6.870 0.769 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -6.869 4.539 -0.026 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.391 5.042 -1.635 1.00 0.76 H new ATOM 0 HG LEU A 5 -4.165 5.690 -0.772 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -3.504 4.993 1.493 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -4.798 6.214 1.529 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -5.182 4.502 1.826 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -3.343 3.404 -0.377 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.014 2.853 -0.111 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -4.520 3.460 -1.710 1.00 1.48 H new ATOM 82 N THR A 6 -5.241 8.471 -0.498 1.00 0.60 N ATOM 83 CA THR A 6 -4.522 9.515 -1.162 1.00 0.62 C ATOM 84 C THR A 6 -3.122 9.040 -1.522 1.00 0.56 C ATOM 85 O THR A 6 -2.777 7.875 -1.287 1.00 0.55 O ATOM 86 CB THR A 6 -4.406 10.725 -0.231 1.00 0.80 C ATOM 87 OG1 THR A 6 -3.816 10.289 1.019 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.769 11.353 0.029 1.00 0.93 C ATOM 0 H THR A 6 -5.053 8.405 0.502 1.00 0.60 H new ATOM 0 HA THR A 6 -5.059 9.788 -2.071 1.00 0.62 H new ATOM 0 HB THR A 6 -3.779 11.480 -0.704 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.018 10.942 1.721 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.654 12.210 0.693 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.204 11.681 -0.915 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.425 10.618 0.495 1.00 0.93 H new ATOM 96 N THR A 7 -2.295 9.930 -2.037 1.00 0.59 N ATOM 97 CA THR A 7 -0.921 9.596 -2.262 1.00 0.58 C ATOM 98 C THR A 7 -0.166 9.743 -0.959 1.00 0.47 C ATOM 99 O THR A 7 0.840 9.075 -0.720 1.00 0.45 O ATOM 100 CB THR A 7 -0.287 10.457 -3.366 1.00 0.70 C ATOM 101 OG1 THR A 7 -0.725 11.822 -3.245 1.00 1.31 O ATOM 102 CG2 THR A 7 -0.612 9.915 -4.748 1.00 1.10 C ATOM 0 H THR A 7 -2.557 10.879 -2.302 1.00 0.59 H new ATOM 0 HA THR A 7 -0.865 8.564 -2.609 1.00 0.58 H new ATOM 0 HB THR A 7 0.795 10.420 -3.242 1.00 0.70 H new ATOM 0 HG1 THR A 7 -0.314 12.361 -3.952 1.00 1.31 H new ATOM 0 HG21 THR A 7 -0.148 10.547 -5.505 1.00 1.10 H new ATOM 0 HG22 THR A 7 -0.229 8.899 -4.840 1.00 1.10 H new ATOM 0 HG23 THR A 7 -1.692 9.910 -4.892 1.00 1.10 H new ATOM 110 N ASP A 8 -0.720 10.591 -0.098 1.00 0.52 N ATOM 111 CA ASP A 8 -0.178 10.836 1.231 1.00 0.54 C ATOM 112 C ASP A 8 -0.229 9.581 2.038 1.00 0.48 C ATOM 113 O ASP A 8 0.789 9.104 2.509 1.00 0.52 O ATOM 114 CB ASP A 8 -0.919 11.956 1.991 1.00 0.71 C ATOM 115 CG ASP A 8 -0.771 13.320 1.366 1.00 1.19 C ATOM 116 OD1 ASP A 8 0.364 13.860 1.322 1.00 1.67 O ATOM 117 OD2 ASP A 8 -1.771 13.876 0.884 1.00 1.79 O ATOM 0 H ASP A 8 -1.561 11.129 -0.305 1.00 0.52 H new ATOM 0 HA ASP A 8 0.852 11.165 1.091 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -1.978 11.705 2.045 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.547 11.994 3.015 1.00 0.71 H new ATOM 122 N ASP A 9 -1.412 9.007 2.169 1.00 0.50 N ATOM 123 CA ASP A 9 -1.548 7.784 2.955 1.00 0.59 C ATOM 124 C ASP A 9 -1.004 6.576 2.285 1.00 0.52 C ATOM 125 O ASP A 9 -0.700 5.588 2.956 1.00 0.60 O ATOM 126 CB ASP A 9 -2.927 7.534 3.514 1.00 0.80 C ATOM 127 CG ASP A 9 -3.044 8.073 4.904 1.00 1.24 C ATOM 128 OD1 ASP A 9 -2.353 7.548 5.810 1.00 2.00 O ATOM 129 OD2 ASP A 9 -3.832 9.014 5.136 1.00 1.68 O ATOM 0 H ASP A 9 -2.276 9.354 1.754 1.00 0.50 H new ATOM 0 HA ASP A 9 -0.914 7.982 3.819 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.674 8.003 2.874 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.135 6.464 3.516 1.00 0.80 H new ATOM 134 N LEU A 10 -0.876 6.630 0.973 1.00 0.46 N ATOM 135 CA LEU A 10 -0.218 5.565 0.250 1.00 0.48 C ATOM 136 C LEU A 10 1.245 5.553 0.693 1.00 0.45 C ATOM 137 O LEU A 10 1.781 4.527 1.073 1.00 0.51 O ATOM 138 CB LEU A 10 -0.334 5.786 -1.269 1.00 0.52 C ATOM 139 CG LEU A 10 0.262 4.698 -2.169 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.422 3.364 -1.937 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.160 5.101 -3.632 1.00 1.19 C ATOM 0 H LEU A 10 -1.217 7.395 0.392 1.00 0.46 H new ATOM 0 HA LEU A 10 -0.687 4.605 0.467 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.390 5.893 -1.518 1.00 0.52 H new ATOM 0 HB3 LEU A 10 0.149 6.732 -1.513 1.00 0.52 H new ATOM 0 HG LEU A 10 1.315 4.587 -1.911 1.00 0.65 H new ATOM 0 HD11 LEU A 10 0.020 2.610 -2.588 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.293 3.065 -0.897 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.485 3.457 -2.159 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.588 4.317 -4.256 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.887 5.245 -3.898 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.706 6.031 -3.792 1.00 1.19 H new ATOM 153 N ARG A 11 1.843 6.734 0.710 1.00 0.42 N ATOM 154 CA ARG A 11 3.208 6.926 1.171 1.00 0.47 C ATOM 155 C ARG A 11 3.323 6.553 2.650 1.00 0.47 C ATOM 156 O ARG A 11 4.216 5.813 3.036 1.00 0.53 O ATOM 157 CB ARG A 11 3.610 8.385 0.960 1.00 0.56 C ATOM 158 CG ARG A 11 5.005 8.762 1.437 1.00 0.83 C ATOM 159 CD ARG A 11 5.266 10.246 1.198 1.00 0.87 C ATOM 160 NE ARG A 11 4.344 11.094 1.961 1.00 0.97 N ATOM 161 CZ ARG A 11 3.378 11.874 1.429 1.00 1.40 C ATOM 162 NH1 ARG A 11 3.211 11.946 0.109 1.00 1.87 N ATOM 163 NH2 ARG A 11 2.581 12.569 2.223 1.00 1.87 N ATOM 0 H ARG A 11 1.390 7.594 0.401 1.00 0.42 H new ATOM 0 HA ARG A 11 3.877 6.281 0.601 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.536 8.613 -0.103 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.887 9.019 1.473 1.00 0.56 H new ATOM 0 HG2 ARG A 11 5.107 8.535 2.498 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.750 8.166 0.910 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.293 10.483 1.477 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.166 10.466 0.135 1.00 0.87 H new ATOM 0 HE ARG A 11 4.440 11.095 2.976 1.00 0.97 H new ATOM 0 HH11 ARG A 11 3.816 11.408 -0.512 1.00 1.87 H new ATOM 0 HH12 ARG A 11 2.478 12.539 -0.281 1.00 1.87 H new ATOM 0 HH21 ARG A 11 2.696 12.515 3.235 1.00 1.87 H new ATOM 0 HH22 ARG A 11 1.851 13.159 1.823 1.00 1.87 H new ATOM 177 N ARG A 12 2.380 7.045 3.455 1.00 0.46 N ATOM 178 CA ARG A 12 2.355 6.791 4.902 1.00 0.52 C ATOM 179 C ARG A 12 2.239 5.309 5.231 1.00 0.55 C ATOM 180 O ARG A 12 2.770 4.858 6.235 1.00 0.65 O ATOM 181 CB ARG A 12 1.236 7.570 5.594 1.00 0.53 C ATOM 182 CG ARG A 12 1.404 9.075 5.547 1.00 1.03 C ATOM 183 CD ARG A 12 0.266 9.787 6.251 1.00 1.16 C ATOM 184 NE ARG A 12 0.211 9.486 7.690 1.00 1.72 N ATOM 185 CZ ARG A 12 -0.767 9.888 8.517 1.00 2.32 C ATOM 186 NH1 ARG A 12 -1.824 10.533 8.044 1.00 2.40 N ATOM 187 NH2 ARG A 12 -0.684 9.644 9.810 1.00 3.33 N ATOM 0 H ARG A 12 1.612 7.630 3.126 1.00 0.46 H new ATOM 0 HA ARG A 12 3.313 7.143 5.285 1.00 0.52 H new ATOM 0 HB2 ARG A 12 0.285 7.307 5.130 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.180 7.255 6.636 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.350 9.351 6.013 1.00 1.03 H new ATOM 0 HG3 ARG A 12 1.453 9.404 4.509 1.00 1.03 H new ATOM 0 HD2 ARG A 12 0.375 10.863 6.113 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -0.678 9.501 5.788 1.00 1.16 H new ATOM 0 HE ARG A 12 0.970 8.933 8.088 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -1.898 10.727 7.045 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -2.563 10.835 8.679 1.00 2.40 H new ATOM 0 HH21 ARG A 12 0.125 9.148 10.185 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -1.429 9.951 10.436 1.00 3.33 H new ATOM 201 N ALA A 13 1.562 4.551 4.379 1.00 0.52 N ATOM 202 CA ALA A 13 1.434 3.112 4.578 1.00 0.58 C ATOM 203 C ALA A 13 2.803 2.452 4.475 1.00 0.59 C ATOM 204 O ALA A 13 3.166 1.604 5.295 1.00 0.67 O ATOM 205 CB ALA A 13 0.466 2.518 3.570 1.00 0.62 C ATOM 0 H ALA A 13 1.094 4.906 3.545 1.00 0.52 H new ATOM 0 HA ALA A 13 1.033 2.926 5.574 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.384 1.444 3.734 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.514 2.980 3.691 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.833 2.704 2.560 1.00 0.62 H new ATOM 211 N LEU A 14 3.560 2.879 3.478 1.00 0.56 N ATOM 212 CA LEU A 14 4.916 2.441 3.259 1.00 0.63 C ATOM 213 C LEU A 14 5.873 2.972 4.341 1.00 0.73 C ATOM 214 O LEU A 14 6.998 2.486 4.482 1.00 0.95 O ATOM 215 CB LEU A 14 5.384 2.834 1.852 1.00 0.64 C ATOM 216 CG LEU A 14 4.860 1.974 0.673 1.00 0.72 C ATOM 217 CD1 LEU A 14 3.344 1.965 0.541 1.00 1.05 C ATOM 218 CD2 LEU A 14 5.501 2.393 -0.624 1.00 1.24 C ATOM 0 H LEU A 14 3.235 3.555 2.786 1.00 0.56 H new ATOM 0 HA LEU A 14 4.932 1.354 3.334 1.00 0.63 H new ATOM 0 HB2 LEU A 14 5.091 3.869 1.674 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.473 2.804 1.836 1.00 0.64 H new ATOM 0 HG LEU A 14 5.148 0.949 0.905 1.00 0.72 H new ATOM 0 HD11 LEU A 14 3.056 1.342 -0.306 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.902 1.564 1.453 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.987 2.982 0.381 1.00 1.05 H new ATOM 0 HD21 LEU A 14 5.117 1.775 -1.436 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.269 3.439 -0.823 1.00 1.24 H new ATOM 0 HD23 LEU A 14 6.582 2.268 -0.553 1.00 1.24 H new ATOM 230 N VAL A 15 5.446 3.968 5.069 1.00 0.69 N ATOM 231 CA VAL A 15 6.212 4.459 6.194 1.00 0.80 C ATOM 232 C VAL A 15 5.922 3.558 7.403 1.00 0.85 C ATOM 233 O VAL A 15 6.809 2.863 7.887 1.00 1.00 O ATOM 234 CB VAL A 15 5.856 5.939 6.529 1.00 0.85 C ATOM 235 CG1 VAL A 15 6.648 6.421 7.734 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.144 6.842 5.339 1.00 0.93 C ATOM 0 H VAL A 15 4.568 4.461 4.906 1.00 0.69 H new ATOM 0 HA VAL A 15 7.272 4.433 5.942 1.00 0.80 H new ATOM 0 HB VAL A 15 4.792 5.983 6.761 1.00 0.85 H new ATOM 0 HG11 VAL A 15 6.385 7.456 7.952 1.00 0.98 H new ATOM 0 HG12 VAL A 15 6.413 5.798 8.597 1.00 0.98 H new ATOM 0 HG13 VAL A 15 7.714 6.355 7.519 1.00 0.98 H new ATOM 0 HG21 VAL A 15 5.889 7.871 5.593 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.202 6.783 5.085 1.00 0.93 H new ATOM 0 HG23 VAL A 15 5.547 6.520 4.485 1.00 0.93 H new ATOM 246 N GLU A 16 4.656 3.544 7.837 1.00 0.83 N ATOM 247 CA GLU A 16 4.189 2.792 9.021 1.00 0.98 C ATOM 248 C GLU A 16 4.650 1.321 9.036 1.00 1.01 C ATOM 249 O GLU A 16 5.127 0.826 10.057 1.00 1.21 O ATOM 250 CB GLU A 16 2.657 2.811 9.091 1.00 1.12 C ATOM 251 CG GLU A 16 2.021 4.177 9.296 1.00 1.25 C ATOM 252 CD GLU A 16 2.360 4.810 10.620 1.00 1.62 C ATOM 253 OE1 GLU A 16 2.391 4.102 11.650 1.00 1.93 O ATOM 254 OE2 GLU A 16 2.553 6.039 10.668 1.00 2.18 O ATOM 0 H GLU A 16 3.910 4.062 7.372 1.00 0.83 H new ATOM 0 HA GLU A 16 4.632 3.292 9.882 1.00 0.98 H new ATOM 0 HB2 GLU A 16 2.265 2.383 8.168 1.00 1.12 H new ATOM 0 HB3 GLU A 16 2.341 2.158 9.905 1.00 1.12 H new ATOM 0 HG2 GLU A 16 2.341 4.841 8.493 1.00 1.25 H new ATOM 0 HG3 GLU A 16 0.938 4.080 9.216 1.00 1.25 H new ATOM 261 N SER A 17 4.532 0.649 7.904 1.00 0.92 N ATOM 262 CA SER A 17 4.813 -0.785 7.814 1.00 1.03 C ATOM 263 C SER A 17 6.322 -1.114 7.841 1.00 1.14 C ATOM 264 O SER A 17 6.711 -2.287 8.005 1.00 1.40 O ATOM 265 CB SER A 17 4.185 -1.329 6.536 1.00 0.97 C ATOM 266 OG SER A 17 2.835 -0.887 6.420 1.00 1.65 O ATOM 0 H SER A 17 4.241 1.073 7.023 1.00 0.92 H new ATOM 0 HA SER A 17 4.381 -1.260 8.695 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.759 -0.997 5.671 1.00 0.97 H new ATOM 0 HB3 SER A 17 4.219 -2.418 6.542 1.00 0.97 H new ATOM 0 HG SER A 17 2.817 0.010 6.025 1.00 1.65 H new ATOM 272 N ALA A 18 7.159 -0.104 7.704 1.00 1.07 N ATOM 273 CA ALA A 18 8.591 -0.318 7.642 1.00 1.24 C ATOM 274 C ALA A 18 9.300 0.381 8.781 1.00 1.33 C ATOM 275 O ALA A 18 10.001 -0.250 9.580 1.00 1.59 O ATOM 276 CB ALA A 18 9.133 0.176 6.316 1.00 1.29 C ATOM 0 H ALA A 18 6.872 0.872 7.634 1.00 1.07 H new ATOM 0 HA ALA A 18 8.776 -1.388 7.733 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.210 0.011 6.279 1.00 1.29 H new ATOM 0 HB2 ALA A 18 8.654 -0.368 5.502 1.00 1.29 H new ATOM 0 HB3 ALA A 18 8.925 1.241 6.212 1.00 1.29 H new ATOM 282 N GLY A 19 9.105 1.660 8.859 1.00 1.34 N ATOM 283 CA GLY A 19 9.745 2.466 9.840 1.00 1.54 C ATOM 284 C GLY A 19 9.675 3.902 9.419 1.00 1.61 C ATOM 285 O GLY A 19 9.624 4.193 8.217 1.00 2.24 O ATOM 0 H GLY A 19 8.488 2.177 8.233 1.00 1.34 H new ATOM 0 HA2 GLY A 19 9.262 2.334 10.808 1.00 1.54 H new ATOM 0 HA3 GLY A 19 10.784 2.159 9.958 1.00 1.54 H new ATOM 289 N GLU A 20 9.679 4.799 10.368 1.00 1.53 N ATOM 290 CA GLU A 20 9.542 6.222 10.075 1.00 1.66 C ATOM 291 C GLU A 20 10.858 6.847 9.645 1.00 1.69 C ATOM 292 O GLU A 20 10.917 7.994 9.179 1.00 2.04 O ATOM 293 CB GLU A 20 8.920 6.962 11.247 1.00 2.11 C ATOM 294 CG GLU A 20 9.740 6.895 12.519 1.00 2.61 C ATOM 295 CD GLU A 20 9.048 7.541 13.671 1.00 3.24 C ATOM 296 OE1 GLU A 20 8.752 8.747 13.597 1.00 3.36 O ATOM 297 OE2 GLU A 20 8.808 6.865 14.686 1.00 3.97 O ATOM 0 H GLU A 20 9.776 4.580 11.359 1.00 1.53 H new ATOM 0 HA GLU A 20 8.864 6.316 9.227 1.00 1.66 H new ATOM 0 HB2 GLU A 20 8.780 8.007 10.971 1.00 2.11 H new ATOM 0 HB3 GLU A 20 7.931 6.548 11.442 1.00 2.11 H new ATOM 0 HG2 GLU A 20 9.948 5.853 12.761 1.00 2.61 H new ATOM 0 HG3 GLU A 20 10.701 7.382 12.355 1.00 2.61 H new ATOM 304 N THR A 21 11.876 6.096 9.796 1.00 1.88 N ATOM 305 CA THR A 21 13.216 6.475 9.428 1.00 2.20 C ATOM 306 C THR A 21 13.919 5.285 8.810 1.00 2.10 C ATOM 307 O THR A 21 15.138 5.123 8.920 1.00 2.75 O ATOM 308 CB THR A 21 14.012 6.988 10.652 1.00 2.92 C ATOM 309 OG1 THR A 21 13.793 6.122 11.793 1.00 3.25 O ATOM 310 CG2 THR A 21 13.640 8.420 10.996 1.00 3.47 C ATOM 0 H THR A 21 11.816 5.159 10.194 1.00 1.88 H new ATOM 0 HA THR A 21 13.161 7.288 8.705 1.00 2.20 H new ATOM 0 HB THR A 21 15.071 6.972 10.393 1.00 2.92 H new ATOM 0 HG1 THR A 21 14.303 6.456 12.560 1.00 3.25 H new ATOM 0 HG21 THR A 21 14.218 8.748 11.860 1.00 3.47 H new ATOM 0 HG22 THR A 21 13.859 9.067 10.146 1.00 3.47 H new ATOM 0 HG23 THR A 21 12.576 8.474 11.229 1.00 3.47 H new ATOM 318 N ASP A 22 13.158 4.510 8.065 1.00 1.66 N ATOM 319 CA ASP A 22 13.655 3.274 7.481 1.00 1.92 C ATOM 320 C ASP A 22 14.359 3.566 6.166 1.00 2.00 C ATOM 321 O ASP A 22 15.097 2.739 5.632 1.00 2.52 O ATOM 322 CB ASP A 22 12.502 2.282 7.275 1.00 2.44 C ATOM 323 CG ASP A 22 12.974 0.896 6.895 1.00 3.14 C ATOM 324 OD1 ASP A 22 13.541 0.185 7.737 1.00 3.81 O ATOM 325 OD2 ASP A 22 12.781 0.492 5.726 1.00 3.47 O ATOM 0 H ASP A 22 12.183 4.714 7.846 1.00 1.66 H new ATOM 0 HA ASP A 22 14.374 2.822 8.164 1.00 1.92 H new ATOM 0 HB2 ASP A 22 11.915 2.221 8.191 1.00 2.44 H new ATOM 0 HB3 ASP A 22 11.840 2.660 6.496 1.00 2.44 H new ATOM 330 N GLY A 23 14.172 4.776 5.679 1.00 1.96 N ATOM 331 CA GLY A 23 14.780 5.169 4.435 1.00 2.29 C ATOM 332 C GLY A 23 13.836 4.989 3.288 1.00 1.79 C ATOM 333 O GLY A 23 14.253 4.679 2.163 1.00 2.14 O ATOM 0 H GLY A 23 13.606 5.497 6.127 1.00 1.96 H new ATOM 0 HA2 GLY A 23 15.090 6.212 4.493 1.00 2.29 H new ATOM 0 HA3 GLY A 23 15.680 4.578 4.265 1.00 2.29 H new ATOM 337 N THR A 24 12.575 5.185 3.564 1.00 1.42 N ATOM 338 CA THR A 24 11.539 5.011 2.595 1.00 1.57 C ATOM 339 C THR A 24 10.986 6.362 2.095 1.00 1.79 C ATOM 340 O THR A 24 9.969 6.865 2.584 1.00 2.50 O ATOM 341 CB THR A 24 10.408 4.108 3.171 1.00 2.00 C ATOM 342 OG1 THR A 24 10.054 4.517 4.516 1.00 2.76 O ATOM 343 CG2 THR A 24 10.834 2.645 3.181 1.00 2.01 C ATOM 0 H THR A 24 12.239 5.474 4.483 1.00 1.42 H new ATOM 0 HA THR A 24 11.970 4.511 1.728 1.00 1.57 H new ATOM 0 HB THR A 24 9.537 4.220 2.525 1.00 2.00 H new ATOM 0 HG1 THR A 24 9.891 5.483 4.532 1.00 2.76 H new ATOM 0 HG21 THR A 24 10.028 2.034 3.587 1.00 2.01 H new ATOM 0 HG22 THR A 24 11.055 2.323 2.163 1.00 2.01 H new ATOM 0 HG23 THR A 24 11.724 2.529 3.800 1.00 2.01 H new ATOM 351 N ASP A 25 11.695 6.981 1.170 1.00 1.60 N ATOM 352 CA ASP A 25 11.242 8.229 0.588 1.00 1.91 C ATOM 353 C ASP A 25 10.376 7.965 -0.608 1.00 1.36 C ATOM 354 O ASP A 25 10.865 7.745 -1.724 1.00 1.34 O ATOM 355 CB ASP A 25 12.389 9.174 0.209 1.00 2.62 C ATOM 356 CG ASP A 25 12.946 9.946 1.373 1.00 3.27 C ATOM 357 OD1 ASP A 25 12.377 10.984 1.751 1.00 3.69 O ATOM 358 OD2 ASP A 25 13.966 9.505 1.957 1.00 3.79 O ATOM 0 H ASP A 25 12.585 6.640 0.806 1.00 1.60 H new ATOM 0 HA ASP A 25 10.662 8.734 1.360 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.191 8.593 -0.247 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.035 9.877 -0.545 1.00 2.62 H new ATOM 363 N LEU A 26 9.095 7.924 -0.378 1.00 1.18 N ATOM 364 CA LEU A 26 8.140 7.707 -1.439 1.00 0.83 C ATOM 365 C LEU A 26 7.380 8.990 -1.707 1.00 0.82 C ATOM 366 O LEU A 26 6.170 9.040 -1.567 1.00 0.85 O ATOM 367 CB LEU A 26 7.138 6.569 -1.115 1.00 1.19 C ATOM 368 CG LEU A 26 7.676 5.140 -0.904 1.00 0.80 C ATOM 369 CD1 LEU A 26 8.649 4.716 -1.991 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.249 4.937 0.481 1.00 0.87 C ATOM 0 H LEU A 26 8.679 8.039 0.546 1.00 1.18 H new ATOM 0 HA LEU A 26 8.701 7.404 -2.323 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.597 6.854 -0.213 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.410 6.531 -1.925 1.00 1.19 H new ATOM 0 HG LEU A 26 6.813 4.479 -0.985 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.997 3.702 -1.793 1.00 0.94 H new ATOM 0 HD12 LEU A 26 8.149 4.746 -2.959 1.00 0.94 H new ATOM 0 HD13 LEU A 26 9.501 5.396 -2.002 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.614 3.914 0.577 1.00 0.87 H new ATOM 0 HD22 LEU A 26 9.073 5.633 0.639 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.474 5.117 1.226 1.00 0.87 H new ATOM 382 N SER A 27 8.081 10.026 -2.058 1.00 0.91 N ATOM 383 CA SER A 27 7.445 11.304 -2.290 1.00 0.99 C ATOM 384 C SER A 27 7.847 11.931 -3.617 1.00 1.04 C ATOM 385 O SER A 27 7.503 13.069 -3.926 1.00 1.44 O ATOM 386 CB SER A 27 7.672 12.227 -1.092 1.00 1.16 C ATOM 387 OG SER A 27 9.026 12.150 -0.629 1.00 1.55 O ATOM 0 H SER A 27 9.092 10.020 -2.192 1.00 0.91 H new ATOM 0 HA SER A 27 6.372 11.138 -2.380 1.00 0.99 H new ATOM 0 HB2 SER A 27 7.438 13.254 -1.371 1.00 1.16 H new ATOM 0 HB3 SER A 27 6.993 11.954 -0.285 1.00 1.16 H new ATOM 0 HG SER A 27 9.145 12.751 0.136 1.00 1.55 H new ATOM 393 N GLY A 28 8.502 11.159 -4.420 1.00 1.36 N ATOM 394 CA GLY A 28 8.961 11.628 -5.706 1.00 1.53 C ATOM 395 C GLY A 28 8.230 10.933 -6.818 1.00 1.44 C ATOM 396 O GLY A 28 8.845 10.500 -7.795 1.00 2.11 O ATOM 0 H GLY A 28 8.738 10.188 -4.214 1.00 1.36 H new ATOM 0 HA2 GLY A 28 8.808 12.705 -5.781 1.00 1.53 H new ATOM 0 HA3 GLY A 28 10.032 11.450 -5.802 1.00 1.53 H new ATOM 400 N ASP A 29 6.910 10.830 -6.654 1.00 1.11 N ATOM 401 CA ASP A 29 6.019 10.131 -7.592 1.00 1.05 C ATOM 402 C ASP A 29 6.400 8.685 -7.716 1.00 0.88 C ATOM 403 O ASP A 29 7.116 8.268 -8.632 1.00 1.07 O ATOM 404 CB ASP A 29 5.869 10.829 -8.952 1.00 1.32 C ATOM 405 CG ASP A 29 5.063 12.101 -8.845 1.00 1.67 C ATOM 406 OD1 ASP A 29 3.808 12.046 -8.878 1.00 2.27 O ATOM 407 OD2 ASP A 29 5.664 13.196 -8.760 1.00 2.12 O ATOM 0 H ASP A 29 6.420 11.234 -5.856 1.00 1.11 H new ATOM 0 HA ASP A 29 5.020 10.175 -7.159 1.00 1.05 H new ATOM 0 HB2 ASP A 29 6.856 11.057 -9.354 1.00 1.32 H new ATOM 0 HB3 ASP A 29 5.387 10.152 -9.657 1.00 1.32 H new ATOM 412 N PHE A 30 5.914 7.927 -6.784 1.00 0.67 N ATOM 413 CA PHE A 30 6.339 6.556 -6.592 1.00 0.55 C ATOM 414 C PHE A 30 5.343 5.531 -7.117 1.00 0.42 C ATOM 415 O PHE A 30 5.504 4.350 -6.884 1.00 0.41 O ATOM 416 CB PHE A 30 6.604 6.312 -5.092 1.00 0.56 C ATOM 417 CG PHE A 30 5.388 6.426 -4.189 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.772 7.647 -3.965 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.877 5.307 -3.560 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.676 7.749 -3.140 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.782 5.404 -2.730 1.00 0.60 C ATOM 422 CZ PHE A 30 3.183 6.628 -2.521 1.00 0.69 C ATOM 0 H PHE A 30 5.202 8.236 -6.122 1.00 0.67 H new ATOM 0 HA PHE A 30 7.251 6.420 -7.174 1.00 0.55 H new ATOM 0 HB2 PHE A 30 7.032 5.317 -4.973 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.356 7.025 -4.753 1.00 0.56 H new ATOM 0 HD1 PHE A 30 5.159 8.533 -4.446 1.00 0.68 H new ATOM 0 HD2 PHE A 30 5.341 4.345 -3.721 1.00 0.52 H new ATOM 0 HE1 PHE A 30 3.205 8.708 -2.980 1.00 0.74 H new ATOM 0 HE2 PHE A 30 3.393 4.522 -2.243 1.00 0.60 H new ATOM 0 HZ PHE A 30 2.325 6.705 -1.870 1.00 0.69 H new ATOM 432 N LEU A 31 4.366 5.963 -7.863 1.00 0.39 N ATOM 433 CA LEU A 31 3.317 5.051 -8.308 1.00 0.35 C ATOM 434 C LEU A 31 3.798 3.985 -9.298 1.00 0.38 C ATOM 435 O LEU A 31 3.396 2.829 -9.197 1.00 0.50 O ATOM 436 CB LEU A 31 2.067 5.790 -8.815 1.00 0.39 C ATOM 437 CG LEU A 31 1.097 6.328 -7.734 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.755 7.332 -6.799 1.00 1.17 C ATOM 439 CD2 LEU A 31 -0.125 6.939 -8.384 1.00 1.45 C ATOM 0 H LEU A 31 4.262 6.927 -8.180 1.00 0.39 H new ATOM 0 HA LEU A 31 3.023 4.504 -7.412 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.393 6.629 -9.430 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.512 5.115 -9.466 1.00 0.39 H new ATOM 0 HG LEU A 31 0.798 5.476 -7.124 1.00 0.54 H new ATOM 0 HD11 LEU A 31 1.028 7.674 -6.063 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.593 6.858 -6.288 1.00 1.17 H new ATOM 0 HD13 LEU A 31 2.116 8.184 -7.376 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -0.798 7.313 -7.613 1.00 1.45 H new ATOM 0 HD22 LEU A 31 0.180 7.762 -9.030 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.638 6.182 -8.978 1.00 1.45 H new ATOM 451 N ASP A 32 4.695 4.346 -10.194 1.00 0.44 N ATOM 452 CA ASP A 32 5.187 3.394 -11.220 1.00 0.57 C ATOM 453 C ASP A 32 6.411 2.623 -10.719 1.00 0.48 C ATOM 454 O ASP A 32 7.026 1.841 -11.463 1.00 0.54 O ATOM 455 CB ASP A 32 5.554 4.119 -12.520 1.00 0.84 C ATOM 456 CG ASP A 32 6.847 4.898 -12.423 1.00 1.69 C ATOM 457 OD1 ASP A 32 6.889 5.912 -11.721 1.00 2.24 O ATOM 458 OD2 ASP A 32 7.839 4.517 -13.078 1.00 2.45 O ATOM 0 H ASP A 32 5.106 5.278 -10.248 1.00 0.44 H new ATOM 0 HA ASP A 32 4.376 2.693 -11.416 1.00 0.57 H new ATOM 0 HB2 ASP A 32 5.637 3.389 -13.325 1.00 0.84 H new ATOM 0 HB3 ASP A 32 4.746 4.800 -12.789 1.00 0.84 H new ATOM 463 N LEU A 33 6.756 2.840 -9.475 1.00 0.43 N ATOM 464 CA LEU A 33 7.895 2.183 -8.858 1.00 0.40 C ATOM 465 C LEU A 33 7.537 0.765 -8.472 1.00 0.33 C ATOM 466 O LEU A 33 6.429 0.342 -8.677 1.00 0.36 O ATOM 467 CB LEU A 33 8.324 2.943 -7.618 1.00 0.44 C ATOM 468 CG LEU A 33 8.877 4.358 -7.842 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.466 4.905 -6.552 1.00 0.67 C ATOM 470 CD2 LEU A 33 9.917 4.380 -8.956 1.00 0.71 C ATOM 0 H LEU A 33 6.258 3.478 -8.855 1.00 0.43 H new ATOM 0 HA LEU A 33 8.714 2.165 -9.577 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.468 3.013 -6.947 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.085 2.356 -7.104 1.00 0.44 H new ATOM 0 HG LEU A 33 8.049 4.996 -8.150 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.854 5.909 -6.726 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.692 4.943 -5.786 1.00 0.67 H new ATOM 0 HD13 LEU A 33 10.275 4.256 -6.218 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.287 5.397 -9.088 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.746 3.723 -8.693 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.462 4.036 -9.885 1.00 0.71 H new ATOM 482 N ARG A 34 8.462 0.036 -7.927 1.00 0.31 N ATOM 483 CA ARG A 34 8.152 -1.301 -7.476 1.00 0.32 C ATOM 484 C ARG A 34 8.376 -1.446 -6.000 1.00 0.36 C ATOM 485 O ARG A 34 9.245 -0.782 -5.421 1.00 0.48 O ATOM 486 CB ARG A 34 8.980 -2.360 -8.162 1.00 0.43 C ATOM 487 CG ARG A 34 8.803 -2.502 -9.645 1.00 0.59 C ATOM 488 CD ARG A 34 9.461 -3.786 -10.050 1.00 0.89 C ATOM 489 NE ARG A 34 9.463 -4.050 -11.476 1.00 1.94 N ATOM 490 CZ ARG A 34 9.390 -5.284 -11.972 1.00 2.65 C ATOM 491 NH1 ARG A 34 8.817 -6.257 -11.250 1.00 2.65 N ATOM 492 NH2 ARG A 34 9.773 -5.522 -13.212 1.00 3.76 N ATOM 0 H ARG A 34 9.427 0.332 -7.782 1.00 0.31 H new ATOM 0 HA ARG A 34 7.101 -1.447 -7.726 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.031 -2.150 -7.964 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.754 -3.321 -7.699 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.745 -2.513 -9.907 1.00 0.59 H new ATOM 0 HG3 ARG A 34 9.252 -1.658 -10.168 1.00 0.59 H new ATOM 0 HD2 ARG A 34 10.492 -3.776 -9.696 1.00 0.89 H new ATOM 0 HD3 ARG A 34 8.958 -4.610 -9.544 1.00 0.89 H new ATOM 0 HE ARG A 34 9.522 -3.263 -12.122 1.00 1.94 H new ATOM 0 HH11 ARG A 34 8.439 -6.051 -10.325 1.00 2.65 H new ATOM 0 HH12 ARG A 34 8.759 -7.204 -11.625 1.00 2.65 H new ATOM 0 HH21 ARG A 34 10.126 -4.761 -13.792 1.00 3.76 H new ATOM 0 HH22 ARG A 34 9.717 -6.467 -13.591 1.00 3.76 H new ATOM 506 N PHE A 35 7.632 -2.340 -5.400 1.00 0.35 N ATOM 507 CA PHE A 35 7.811 -2.665 -4.010 1.00 0.41 C ATOM 508 C PHE A 35 9.043 -3.516 -3.824 1.00 0.48 C ATOM 509 O PHE A 35 9.812 -3.297 -2.889 1.00 0.54 O ATOM 510 CB PHE A 35 6.590 -3.341 -3.409 1.00 0.41 C ATOM 511 CG PHE A 35 5.425 -2.423 -3.215 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.413 -1.496 -2.199 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.343 -2.482 -4.072 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.350 -0.639 -2.039 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.274 -1.629 -3.916 1.00 0.46 C ATOM 516 CZ PHE A 35 3.262 -0.746 -2.812 1.00 0.46 C ATOM 0 H PHE A 35 6.887 -2.862 -5.861 1.00 0.35 H new ATOM 0 HA PHE A 35 7.945 -1.726 -3.473 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.288 -4.165 -4.055 1.00 0.41 H new ATOM 0 HB3 PHE A 35 6.863 -3.774 -2.447 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.249 -1.441 -1.518 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.336 -3.206 -4.874 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.393 0.129 -1.281 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.459 -1.634 -4.624 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.381 -0.161 -2.593 1.00 0.46 H new ATOM 526 N GLU A 36 9.272 -4.454 -4.747 1.00 0.56 N ATOM 527 CA GLU A 36 10.469 -5.285 -4.696 1.00 0.70 C ATOM 528 C GLU A 36 11.727 -4.432 -4.866 1.00 0.69 C ATOM 529 O GLU A 36 12.814 -4.806 -4.435 1.00 0.80 O ATOM 530 CB GLU A 36 10.433 -6.412 -5.737 1.00 0.88 C ATOM 531 CG GLU A 36 10.266 -5.948 -7.171 1.00 1.65 C ATOM 532 CD GLU A 36 10.487 -7.057 -8.160 1.00 2.01 C ATOM 533 OE1 GLU A 36 9.597 -7.915 -8.351 1.00 2.26 O ATOM 534 OE2 GLU A 36 11.575 -7.100 -8.760 1.00 2.71 O ATOM 0 H GLU A 36 8.649 -4.653 -5.530 1.00 0.56 H new ATOM 0 HA GLU A 36 10.495 -5.754 -3.712 1.00 0.70 H new ATOM 0 HB2 GLU A 36 11.356 -6.987 -5.661 1.00 0.88 H new ATOM 0 HB3 GLU A 36 9.615 -7.089 -5.491 1.00 0.88 H new ATOM 0 HG2 GLU A 36 9.264 -5.540 -7.304 1.00 1.65 H new ATOM 0 HG3 GLU A 36 10.968 -5.139 -7.373 1.00 1.65 H new ATOM 541 N ASP A 37 11.560 -3.284 -5.489 1.00 0.67 N ATOM 542 CA ASP A 37 12.649 -2.342 -5.672 1.00 0.76 C ATOM 543 C ASP A 37 12.958 -1.621 -4.380 1.00 0.72 C ATOM 544 O ASP A 37 14.098 -1.563 -3.962 1.00 0.87 O ATOM 545 CB ASP A 37 12.329 -1.330 -6.769 1.00 0.88 C ATOM 546 CG ASP A 37 13.312 -0.173 -6.806 1.00 1.13 C ATOM 547 OD1 ASP A 37 14.504 -0.402 -7.090 1.00 1.43 O ATOM 548 OD2 ASP A 37 12.921 0.966 -6.513 1.00 1.61 O ATOM 0 H ASP A 37 10.670 -2.977 -5.882 1.00 0.67 H new ATOM 0 HA ASP A 37 13.527 -2.912 -5.977 1.00 0.76 H new ATOM 0 HB2 ASP A 37 12.332 -1.835 -7.735 1.00 0.88 H new ATOM 0 HB3 ASP A 37 11.322 -0.941 -6.616 1.00 0.88 H new ATOM 553 N ILE A 38 11.927 -1.136 -3.721 1.00 0.59 N ATOM 554 CA ILE A 38 12.094 -0.353 -2.497 1.00 0.62 C ATOM 555 C ILE A 38 12.232 -1.226 -1.239 1.00 0.60 C ATOM 556 O ILE A 38 12.040 -0.751 -0.119 1.00 0.66 O ATOM 557 CB ILE A 38 10.949 0.673 -2.304 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.595 -0.049 -2.207 1.00 0.52 C ATOM 559 CG2 ILE A 38 10.951 1.679 -3.452 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.417 0.866 -1.979 1.00 0.57 C ATOM 0 H ILE A 38 10.957 -1.267 -4.007 1.00 0.59 H new ATOM 0 HA ILE A 38 13.031 0.188 -2.627 1.00 0.62 H new ATOM 0 HB ILE A 38 11.110 1.215 -1.372 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.430 -0.612 -3.126 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.640 -0.773 -1.393 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.143 2.396 -3.308 1.00 0.70 H new ATOM 0 HG22 ILE A 38 11.905 2.206 -3.472 1.00 0.70 H new ATOM 0 HG23 ILE A 38 10.806 1.154 -4.396 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.503 0.275 -1.923 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.555 1.411 -1.045 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.341 1.574 -2.804 1.00 0.57 H new ATOM 572 N GLY A 39 12.633 -2.471 -1.436 1.00 0.57 N ATOM 573 CA GLY A 39 12.868 -3.390 -0.335 1.00 0.58 C ATOM 574 C GLY A 39 11.614 -3.744 0.445 1.00 0.50 C ATOM 575 O GLY A 39 11.675 -3.980 1.661 1.00 0.57 O ATOM 0 H GLY A 39 12.804 -2.871 -2.358 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.312 -4.305 -0.726 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.596 -2.948 0.346 1.00 0.58 H new ATOM 579 N TYR A 40 10.497 -3.785 -0.228 1.00 0.43 N ATOM 580 CA TYR A 40 9.247 -4.109 0.404 1.00 0.41 C ATOM 581 C TYR A 40 8.815 -5.512 0.044 1.00 0.45 C ATOM 582 O TYR A 40 8.538 -5.807 -1.123 1.00 0.67 O ATOM 583 CB TYR A 40 8.167 -3.094 0.020 1.00 0.44 C ATOM 584 CG TYR A 40 7.690 -2.275 1.184 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.448 -1.227 1.682 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.486 -2.564 1.800 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.024 -0.500 2.771 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.048 -1.840 2.883 1.00 0.86 C ATOM 589 CZ TYR A 40 6.818 -0.815 3.370 1.00 0.98 C ATOM 590 OH TYR A 40 6.390 -0.112 4.465 1.00 1.26 O ATOM 0 H TYR A 40 10.427 -3.595 -1.228 1.00 0.43 H new ATOM 0 HA TYR A 40 9.389 -4.063 1.484 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.559 -2.428 -0.749 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.319 -3.622 -0.417 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.386 -0.977 1.208 1.00 0.66 H new ATOM 0 HD2 TYR A 40 5.879 -3.374 1.423 1.00 0.61 H new ATOM 0 HE1 TYR A 40 8.628 0.309 3.154 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.102 -2.077 3.348 1.00 0.86 H new ATOM 0 HH TYR A 40 6.936 0.695 4.569 1.00 1.26 H new ATOM 600 N ASP A 41 8.808 -6.389 1.030 1.00 0.48 N ATOM 601 CA ASP A 41 8.349 -7.762 0.829 1.00 0.59 C ATOM 602 C ASP A 41 6.844 -7.787 0.855 1.00 0.45 C ATOM 603 O ASP A 41 6.204 -6.832 1.311 1.00 0.39 O ATOM 604 CB ASP A 41 8.868 -8.729 1.911 1.00 0.85 C ATOM 605 CG ASP A 41 10.362 -8.934 1.917 1.00 1.50 C ATOM 606 OD1 ASP A 41 10.860 -9.820 1.195 1.00 2.11 O ATOM 607 OD2 ASP A 41 11.067 -8.240 2.691 1.00 2.01 O ATOM 0 H ASP A 41 9.114 -6.181 1.981 1.00 0.48 H new ATOM 0 HA ASP A 41 8.741 -8.093 -0.133 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.564 -8.354 2.888 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.384 -9.696 1.775 1.00 0.85 H new ATOM 612 N SER A 42 6.277 -8.885 0.445 1.00 0.45 N ATOM 613 CA SER A 42 4.844 -9.040 0.394 1.00 0.41 C ATOM 614 C SER A 42 4.273 -9.119 1.804 1.00 0.33 C ATOM 615 O SER A 42 3.126 -8.777 2.030 1.00 0.30 O ATOM 616 CB SER A 42 4.454 -10.279 -0.397 1.00 0.50 C ATOM 617 OG SER A 42 5.636 -10.896 -1.041 1.00 0.71 O ATOM 0 H SER A 42 6.796 -9.706 0.134 1.00 0.45 H new ATOM 0 HA SER A 42 4.428 -8.169 -0.112 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.978 -11.002 0.266 1.00 0.50 H new ATOM 0 HB3 SER A 42 3.720 -10.012 -1.157 1.00 0.50 H new ATOM 622 N LEU A 43 5.093 -9.561 2.754 1.00 0.35 N ATOM 623 CA LEU A 43 4.673 -9.611 4.149 1.00 0.37 C ATOM 624 C LEU A 43 4.474 -8.170 4.635 1.00 0.33 C ATOM 625 O LEU A 43 3.501 -7.857 5.318 1.00 0.38 O ATOM 626 CB LEU A 43 5.721 -10.378 5.001 1.00 0.49 C ATOM 627 CG LEU A 43 5.303 -10.870 6.420 1.00 0.63 C ATOM 628 CD1 LEU A 43 5.094 -9.729 7.407 1.00 1.02 C ATOM 629 CD2 LEU A 43 4.054 -11.739 6.337 1.00 1.03 C ATOM 0 H LEU A 43 6.044 -9.887 2.584 1.00 0.35 H new ATOM 0 HA LEU A 43 3.733 -10.153 4.252 1.00 0.37 H new ATOM 0 HB2 LEU A 43 6.042 -11.248 4.429 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.592 -9.733 5.116 1.00 0.49 H new ATOM 0 HG LEU A 43 6.132 -11.466 6.801 1.00 0.63 H new ATOM 0 HD11 LEU A 43 4.805 -10.135 8.376 1.00 1.02 H new ATOM 0 HD12 LEU A 43 6.020 -9.164 7.512 1.00 1.02 H new ATOM 0 HD13 LEU A 43 4.307 -9.070 7.040 1.00 1.02 H new ATOM 0 HD21 LEU A 43 3.777 -12.074 7.337 1.00 1.03 H new ATOM 0 HD22 LEU A 43 3.236 -11.160 5.908 1.00 1.03 H new ATOM 0 HD23 LEU A 43 4.255 -12.606 5.707 1.00 1.03 H new ATOM 641 N ALA A 44 5.362 -7.289 4.214 1.00 0.33 N ATOM 642 CA ALA A 44 5.252 -5.880 4.541 1.00 0.37 C ATOM 643 C ALA A 44 4.039 -5.277 3.838 1.00 0.31 C ATOM 644 O ALA A 44 3.397 -4.368 4.355 1.00 0.35 O ATOM 645 CB ALA A 44 6.516 -5.149 4.152 1.00 0.46 C ATOM 0 H ALA A 44 6.172 -7.526 3.641 1.00 0.33 H new ATOM 0 HA ALA A 44 5.118 -5.775 5.618 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.418 -4.093 4.404 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.363 -5.573 4.692 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.681 -5.252 3.080 1.00 0.46 H new ATOM 651 N LEU A 45 3.722 -5.811 2.666 1.00 0.26 N ATOM 652 CA LEU A 45 2.549 -5.391 1.902 1.00 0.25 C ATOM 653 C LEU A 45 1.266 -5.793 2.612 1.00 0.28 C ATOM 654 O LEU A 45 0.264 -5.081 2.540 1.00 0.29 O ATOM 655 CB LEU A 45 2.579 -5.956 0.481 1.00 0.28 C ATOM 656 CG LEU A 45 3.746 -5.491 -0.380 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.667 -6.093 -1.771 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.762 -3.980 -0.449 1.00 0.40 C ATOM 0 H LEU A 45 4.268 -6.546 2.217 1.00 0.26 H new ATOM 0 HA LEU A 45 2.575 -4.304 1.830 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.604 -7.044 0.541 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.649 -5.686 -0.020 1.00 0.28 H new ATOM 0 HG LEU A 45 4.675 -5.833 0.076 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.511 -5.746 -2.366 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.697 -7.180 -1.699 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.736 -5.786 -2.248 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.599 -3.653 -1.066 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.828 -3.626 -0.886 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.870 -3.571 0.556 1.00 0.40 H new ATOM 670 N MET A 46 1.311 -6.919 3.320 1.00 0.34 N ATOM 671 CA MET A 46 0.172 -7.383 4.132 1.00 0.44 C ATOM 672 C MET A 46 -0.113 -6.350 5.177 1.00 0.40 C ATOM 673 O MET A 46 -1.241 -5.944 5.376 1.00 0.45 O ATOM 674 CB MET A 46 0.490 -8.699 4.856 1.00 0.71 C ATOM 675 CG MET A 46 0.895 -9.820 3.953 1.00 0.38 C ATOM 676 SD MET A 46 -0.392 -10.242 2.781 1.00 1.64 S ATOM 677 CE MET A 46 0.432 -11.483 1.801 1.00 2.26 C ATOM 0 H MET A 46 2.124 -7.534 3.352 1.00 0.34 H new ATOM 0 HA MET A 46 -0.677 -7.542 3.467 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.290 -8.520 5.574 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.387 -9.007 5.426 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.799 -9.540 3.412 1.00 0.38 H new ATOM 0 HG3 MET A 46 1.140 -10.697 4.552 1.00 0.38 H new ATOM 0 HE1 MET A 46 0.064 -11.440 0.776 1.00 2.26 H new ATOM 0 HE2 MET A 46 1.506 -11.299 1.809 1.00 2.26 H new ATOM 0 HE3 MET A 46 0.230 -12.470 2.218 1.00 2.26 H new ATOM 687 N GLU A 47 0.950 -5.902 5.803 1.00 0.40 N ATOM 688 CA GLU A 47 0.898 -4.912 6.850 1.00 0.46 C ATOM 689 C GLU A 47 0.410 -3.567 6.283 1.00 0.43 C ATOM 690 O GLU A 47 -0.362 -2.834 6.927 1.00 0.53 O ATOM 691 CB GLU A 47 2.288 -4.757 7.421 1.00 0.54 C ATOM 692 CG GLU A 47 2.336 -3.949 8.689 1.00 1.22 C ATOM 693 CD GLU A 47 1.695 -4.662 9.849 1.00 1.77 C ATOM 694 OE1 GLU A 47 0.451 -4.658 9.976 1.00 2.22 O ATOM 695 OE2 GLU A 47 2.437 -5.257 10.652 1.00 2.46 O ATOM 0 H GLU A 47 1.895 -6.223 5.593 1.00 0.40 H new ATOM 0 HA GLU A 47 0.203 -5.227 7.629 1.00 0.46 H new ATOM 0 HB2 GLU A 47 2.703 -5.746 7.615 1.00 0.54 H new ATOM 0 HB3 GLU A 47 2.927 -4.284 6.675 1.00 0.54 H new ATOM 0 HG2 GLU A 47 3.374 -3.723 8.934 1.00 1.22 H new ATOM 0 HG3 GLU A 47 1.832 -2.996 8.529 1.00 1.22 H new ATOM 702 N THR A 48 0.872 -3.260 5.081 1.00 0.33 N ATOM 703 CA THR A 48 0.478 -2.066 4.357 1.00 0.33 C ATOM 704 C THR A 48 -1.047 -2.079 4.147 1.00 0.31 C ATOM 705 O THR A 48 -1.744 -1.100 4.475 1.00 0.36 O ATOM 706 CB THR A 48 1.217 -2.029 2.994 1.00 0.32 C ATOM 707 OG1 THR A 48 2.637 -2.035 3.219 1.00 0.37 O ATOM 708 CG2 THR A 48 0.845 -0.793 2.186 1.00 0.38 C ATOM 0 H THR A 48 1.540 -3.842 4.576 1.00 0.33 H new ATOM 0 HA THR A 48 0.745 -1.176 4.926 1.00 0.33 H new ATOM 0 HB THR A 48 0.917 -2.910 2.427 1.00 0.32 H new ATOM 0 HG1 THR A 48 2.908 -2.908 3.573 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.383 -0.803 1.238 1.00 0.38 H new ATOM 0 HG22 THR A 48 -0.228 -0.793 1.995 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.114 0.102 2.746 1.00 0.38 H new ATOM 716 N ALA A 49 -1.553 -3.195 3.628 1.00 0.29 N ATOM 717 CA ALA A 49 -2.960 -3.371 3.401 1.00 0.31 C ATOM 718 C ALA A 49 -3.710 -3.341 4.716 1.00 0.29 C ATOM 719 O ALA A 49 -4.639 -2.583 4.850 1.00 0.27 O ATOM 720 CB ALA A 49 -3.230 -4.667 2.655 1.00 0.35 C ATOM 0 H ALA A 49 -0.985 -3.998 3.357 1.00 0.29 H new ATOM 0 HA ALA A 49 -3.315 -2.548 2.781 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -4.302 -4.778 2.495 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.720 -4.646 1.692 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.862 -5.508 3.242 1.00 0.35 H new ATOM 726 N ALA A 50 -3.234 -4.121 5.698 1.00 0.33 N ATOM 727 CA ALA A 50 -3.842 -4.245 7.044 1.00 0.37 C ATOM 728 C ALA A 50 -4.169 -2.894 7.654 1.00 0.33 C ATOM 729 O ALA A 50 -5.281 -2.676 8.156 1.00 0.34 O ATOM 730 CB ALA A 50 -2.899 -4.988 7.973 1.00 0.47 C ATOM 0 H ALA A 50 -2.400 -4.697 5.583 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.774 -4.798 6.923 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.354 -5.075 8.960 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.705 -5.984 7.574 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -1.960 -4.440 8.053 1.00 0.47 H new ATOM 736 N ARG A 51 -3.205 -1.994 7.591 1.00 0.34 N ATOM 737 CA ARG A 51 -3.340 -0.641 8.109 1.00 0.36 C ATOM 738 C ARG A 51 -4.546 0.053 7.489 1.00 0.33 C ATOM 739 O ARG A 51 -5.409 0.596 8.183 1.00 0.42 O ATOM 740 CB ARG A 51 -2.089 0.163 7.757 1.00 0.44 C ATOM 741 CG ARG A 51 -2.126 1.605 8.219 1.00 0.54 C ATOM 742 CD ARG A 51 -0.987 2.393 7.621 1.00 0.88 C ATOM 743 NE ARG A 51 -1.004 3.806 8.060 1.00 1.06 N ATOM 744 CZ ARG A 51 -1.145 4.884 7.246 1.00 1.91 C ATOM 745 NH1 ARG A 51 -1.378 4.727 5.951 1.00 2.92 N ATOM 746 NH2 ARG A 51 -1.075 6.111 7.732 1.00 2.00 N ATOM 0 H ARG A 51 -2.294 -2.183 7.174 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.470 -0.697 9.190 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.221 -0.326 8.199 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.950 0.143 6.676 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -3.076 2.058 7.934 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.068 1.644 9.307 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.040 1.935 7.906 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -1.047 2.350 6.534 1.00 0.88 H new ATOM 0 HE ARG A 51 -0.901 3.986 9.059 1.00 1.06 H new ATOM 0 HH11 ARG A 51 -1.453 3.789 5.556 1.00 2.92 H new ATOM 0 HH12 ARG A 51 -1.482 5.544 5.349 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -0.913 6.256 8.729 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -1.182 6.913 7.110 1.00 2.00 H new ATOM 760 N LEU A 52 -4.619 -0.018 6.191 1.00 0.28 N ATOM 761 CA LEU A 52 -5.621 0.687 5.450 1.00 0.30 C ATOM 762 C LEU A 52 -6.958 -0.051 5.469 1.00 0.30 C ATOM 763 O LEU A 52 -8.008 0.582 5.503 1.00 0.37 O ATOM 764 CB LEU A 52 -5.110 0.969 4.037 1.00 0.31 C ATOM 765 CG LEU A 52 -3.789 1.769 3.989 1.00 0.35 C ATOM 766 CD1 LEU A 52 -3.302 1.959 2.572 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.950 3.114 4.672 1.00 0.40 C ATOM 0 H LEU A 52 -3.982 -0.569 5.616 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.814 1.647 5.929 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.967 0.021 3.519 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.875 1.519 3.489 1.00 0.31 H new ATOM 0 HG LEU A 52 -3.039 1.188 4.526 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -2.371 2.526 2.580 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -3.130 0.986 2.113 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -4.053 2.503 1.999 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -3.008 3.660 4.626 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.727 3.688 4.167 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -4.231 2.962 5.714 1.00 0.40 H new ATOM 779 N GLU A 53 -6.907 -1.383 5.480 1.00 0.27 N ATOM 780 CA GLU A 53 -8.095 -2.215 5.604 1.00 0.30 C ATOM 781 C GLU A 53 -8.851 -1.843 6.863 1.00 0.33 C ATOM 782 O GLU A 53 -10.007 -1.444 6.808 1.00 0.35 O ATOM 783 CB GLU A 53 -7.753 -3.719 5.674 1.00 0.33 C ATOM 784 CG GLU A 53 -7.164 -4.337 4.422 1.00 0.37 C ATOM 785 CD GLU A 53 -7.006 -5.835 4.574 1.00 0.58 C ATOM 786 OE1 GLU A 53 -5.998 -6.286 5.144 1.00 0.91 O ATOM 787 OE2 GLU A 53 -7.859 -6.598 4.093 1.00 0.71 O ATOM 0 H GLU A 53 -6.038 -1.912 5.403 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.700 -2.039 4.715 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.050 -3.871 6.493 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.662 -4.264 5.929 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.808 -4.121 3.569 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.194 -3.886 4.212 1.00 0.37 H new ATOM 794 N SER A 54 -8.158 -1.924 7.978 1.00 0.37 N ATOM 795 CA SER A 54 -8.728 -1.658 9.283 1.00 0.44 C ATOM 796 C SER A 54 -9.243 -0.213 9.379 1.00 0.43 C ATOM 797 O SER A 54 -10.416 0.020 9.696 1.00 0.52 O ATOM 798 CB SER A 54 -7.656 -1.908 10.343 1.00 0.54 C ATOM 799 OG SER A 54 -7.024 -3.164 10.121 1.00 1.44 O ATOM 0 H SER A 54 -7.171 -2.179 8.005 1.00 0.37 H new ATOM 0 HA SER A 54 -9.578 -2.321 9.445 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.914 -1.110 10.315 1.00 0.54 H new ATOM 0 HB3 SER A 54 -8.106 -1.890 11.336 1.00 0.54 H new ATOM 0 HG SER A 54 -6.164 -3.023 9.672 1.00 1.44 H new ATOM 805 N ARG A 55 -8.376 0.732 9.044 1.00 0.44 N ATOM 806 CA ARG A 55 -8.667 2.152 9.159 1.00 0.50 C ATOM 807 C ARG A 55 -9.794 2.625 8.231 1.00 0.50 C ATOM 808 O ARG A 55 -10.665 3.383 8.652 1.00 0.62 O ATOM 809 CB ARG A 55 -7.387 2.958 8.938 1.00 0.59 C ATOM 810 CG ARG A 55 -7.577 4.451 8.836 1.00 0.97 C ATOM 811 CD ARG A 55 -6.251 5.139 8.660 1.00 1.13 C ATOM 812 NE ARG A 55 -6.404 6.508 8.182 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.456 7.163 7.510 1.00 1.64 C ATOM 814 NH1 ARG A 55 -4.193 6.788 7.611 1.00 1.93 N ATOM 815 NH2 ARG A 55 -5.749 8.251 6.836 1.00 2.25 N ATOM 0 H ARG A 55 -7.444 0.532 8.682 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.037 2.324 10.170 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.700 2.751 9.758 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -6.908 2.606 8.024 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.229 4.684 7.994 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -8.070 4.823 9.734 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.717 5.145 9.610 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -5.641 4.575 7.955 1.00 1.13 H new ATOM 0 HE ARG A 55 -7.283 6.990 8.372 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -3.942 5.997 8.203 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -3.469 7.290 7.096 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -6.707 8.601 6.824 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -5.019 8.746 6.325 1.00 2.25 H new ATOM 829 N TYR A 56 -9.789 2.185 6.985 1.00 0.42 N ATOM 830 CA TYR A 56 -10.801 2.625 6.039 1.00 0.44 C ATOM 831 C TYR A 56 -12.056 1.772 6.099 1.00 0.43 C ATOM 832 O TYR A 56 -13.091 2.152 5.557 1.00 0.52 O ATOM 833 CB TYR A 56 -10.255 2.690 4.609 1.00 0.44 C ATOM 834 CG TYR A 56 -9.282 3.832 4.346 1.00 0.49 C ATOM 835 CD1 TYR A 56 -7.937 3.730 4.672 1.00 0.48 C ATOM 836 CD2 TYR A 56 -9.718 5.007 3.749 1.00 0.62 C ATOM 837 CE1 TYR A 56 -7.061 4.768 4.412 1.00 0.55 C ATOM 838 CE2 TYR A 56 -8.848 6.047 3.489 1.00 0.71 C ATOM 839 CZ TYR A 56 -7.522 5.922 3.820 1.00 0.69 C ATOM 840 OH TYR A 56 -6.643 6.949 3.549 1.00 0.77 O ATOM 0 H TYR A 56 -9.104 1.531 6.607 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.079 3.636 6.338 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -9.756 1.748 4.383 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.094 2.780 3.919 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -7.569 2.827 5.136 1.00 0.48 H new ATOM 0 HD2 TYR A 56 -10.760 5.110 3.482 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -6.017 4.673 4.673 1.00 0.55 H new ATOM 0 HE2 TYR A 56 -9.209 6.954 3.028 1.00 0.71 H new ATOM 0 HH TYR A 56 -7.126 7.691 3.130 1.00 0.77 H new ATOM 850 N GLY A 57 -11.970 0.642 6.765 1.00 0.38 N ATOM 851 CA GLY A 57 -13.118 -0.235 6.895 1.00 0.41 C ATOM 852 C GLY A 57 -13.326 -1.078 5.656 1.00 0.39 C ATOM 853 O GLY A 57 -14.455 -1.282 5.207 1.00 0.51 O ATOM 0 H GLY A 57 -11.123 0.308 7.224 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -12.982 -0.886 7.759 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.011 0.361 7.083 1.00 0.41 H new ATOM 857 N VAL A 58 -12.245 -1.556 5.096 1.00 0.34 N ATOM 858 CA VAL A 58 -12.312 -2.377 3.912 1.00 0.36 C ATOM 859 C VAL A 58 -11.649 -3.707 4.186 1.00 0.39 C ATOM 860 O VAL A 58 -11.057 -3.893 5.248 1.00 0.42 O ATOM 861 CB VAL A 58 -11.686 -1.707 2.641 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.337 -0.376 2.359 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.181 -1.525 2.770 1.00 0.34 C ATOM 0 H VAL A 58 -11.300 -1.390 5.443 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.369 -2.516 3.684 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.872 -2.383 1.807 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -11.886 0.069 1.472 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.404 -0.522 2.189 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.193 0.287 3.212 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.792 -1.057 1.865 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -9.964 -0.890 3.629 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.707 -2.497 2.908 1.00 0.34 H new ATOM 873 N SER A 59 -11.709 -4.603 3.251 1.00 0.43 N ATOM 874 CA SER A 59 -11.097 -5.884 3.405 1.00 0.49 C ATOM 875 C SER A 59 -10.656 -6.361 2.032 1.00 0.45 C ATOM 876 O SER A 59 -11.465 -6.425 1.106 1.00 0.56 O ATOM 877 CB SER A 59 -12.092 -6.868 4.042 1.00 0.67 C ATOM 878 OG SER A 59 -11.443 -8.064 4.435 1.00 1.48 O ATOM 0 H SER A 59 -12.184 -4.466 2.359 1.00 0.43 H new ATOM 0 HA SER A 59 -10.231 -5.821 4.064 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.563 -6.404 4.909 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.887 -7.098 3.332 1.00 0.67 H new ATOM 0 HG SER A 59 -12.096 -8.673 4.839 1.00 1.48 H new ATOM 884 N ILE A 60 -9.397 -6.664 1.895 1.00 0.39 N ATOM 885 CA ILE A 60 -8.825 -7.044 0.617 1.00 0.43 C ATOM 886 C ILE A 60 -8.030 -8.336 0.758 1.00 0.35 C ATOM 887 O ILE A 60 -7.300 -8.501 1.737 1.00 0.42 O ATOM 888 CB ILE A 60 -7.904 -5.904 0.078 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.737 -4.646 -0.204 1.00 0.75 C ATOM 890 CG2 ILE A 60 -7.127 -6.341 -1.164 1.00 0.71 C ATOM 891 CD1 ILE A 60 -7.937 -3.467 -0.678 1.00 1.01 C ATOM 0 H ILE A 60 -8.728 -6.657 2.665 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.636 -7.207 -0.093 1.00 0.43 H new ATOM 0 HB ILE A 60 -7.167 -5.672 0.847 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -9.490 -4.884 -0.955 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -9.270 -4.367 0.705 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -6.498 -5.520 -1.508 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.501 -7.199 -0.918 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.827 -6.617 -1.953 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -8.603 -2.622 -0.853 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -7.201 -3.198 0.080 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -7.425 -3.724 -1.605 1.00 1.01 H new ATOM 903 N PRO A 61 -8.205 -9.290 -0.197 1.00 0.43 N ATOM 904 CA PRO A 61 -7.455 -10.555 -0.226 1.00 0.50 C ATOM 905 C PRO A 61 -5.947 -10.334 -0.066 1.00 0.46 C ATOM 906 O PRO A 61 -5.315 -9.617 -0.870 1.00 0.40 O ATOM 907 CB PRO A 61 -7.758 -11.101 -1.620 1.00 0.63 C ATOM 908 CG PRO A 61 -9.115 -10.582 -1.928 1.00 0.74 C ATOM 909 CD PRO A 61 -9.174 -9.211 -1.318 1.00 0.63 C ATOM 0 HA PRO A 61 -7.740 -11.222 0.588 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -7.025 -10.758 -2.350 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.736 -12.191 -1.634 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.283 -10.539 -3.004 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.886 -11.230 -1.511 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.895 -8.440 -2.036 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -10.177 -8.971 -0.966 1.00 0.63 H new ATOM 917 N ASP A 62 -5.388 -10.953 0.967 1.00 0.61 N ATOM 918 CA ASP A 62 -3.965 -10.826 1.315 1.00 0.72 C ATOM 919 C ASP A 62 -3.073 -11.257 0.156 1.00 0.66 C ATOM 920 O ASP A 62 -2.022 -10.669 -0.077 1.00 0.67 O ATOM 921 CB ASP A 62 -3.612 -11.655 2.577 1.00 1.04 C ATOM 922 CG ASP A 62 -3.583 -13.159 2.344 1.00 1.22 C ATOM 923 OD1 ASP A 62 -4.671 -13.799 2.289 1.00 1.74 O ATOM 924 OD2 ASP A 62 -2.482 -13.735 2.200 1.00 1.73 O ATOM 0 H ASP A 62 -5.908 -11.564 1.596 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.784 -9.772 1.528 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.637 -11.337 2.947 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -4.338 -11.433 3.359 1.00 1.04 H new ATOM 929 N ASP A 63 -3.528 -12.247 -0.607 1.00 0.68 N ATOM 930 CA ASP A 63 -2.764 -12.761 -1.734 1.00 0.73 C ATOM 931 C ASP A 63 -2.537 -11.676 -2.765 1.00 0.63 C ATOM 932 O ASP A 63 -1.437 -11.524 -3.283 1.00 0.78 O ATOM 933 CB ASP A 63 -3.463 -13.956 -2.385 1.00 0.92 C ATOM 934 CG ASP A 63 -2.691 -14.493 -3.569 1.00 1.41 C ATOM 935 OD1 ASP A 63 -1.759 -15.294 -3.373 1.00 1.81 O ATOM 936 OD2 ASP A 63 -2.986 -14.118 -4.713 1.00 2.17 O ATOM 0 H ASP A 63 -4.426 -12.709 -0.462 1.00 0.68 H new ATOM 0 HA ASP A 63 -1.801 -13.095 -1.349 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -3.589 -14.748 -1.646 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -4.461 -13.659 -2.708 1.00 0.92 H new ATOM 941 N VAL A 64 -3.565 -10.896 -3.003 1.00 0.48 N ATOM 942 CA VAL A 64 -3.510 -9.820 -3.975 1.00 0.44 C ATOM 943 C VAL A 64 -2.644 -8.694 -3.418 1.00 0.38 C ATOM 944 O VAL A 64 -1.818 -8.120 -4.132 1.00 0.41 O ATOM 945 CB VAL A 64 -4.927 -9.275 -4.280 1.00 0.50 C ATOM 946 CG1 VAL A 64 -4.889 -8.230 -5.387 1.00 0.57 C ATOM 947 CG2 VAL A 64 -5.870 -10.404 -4.642 1.00 0.58 C ATOM 0 H VAL A 64 -4.465 -10.986 -2.531 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.084 -10.205 -4.901 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.300 -8.792 -3.377 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -5.898 -7.866 -5.579 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.255 -7.398 -5.080 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.486 -8.677 -6.296 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -6.860 -9.998 -4.852 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.495 -10.922 -5.525 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.935 -11.105 -3.810 1.00 0.58 H new ATOM 957 N ALA A 65 -2.834 -8.403 -2.131 1.00 0.36 N ATOM 958 CA ALA A 65 -2.067 -7.374 -1.429 1.00 0.36 C ATOM 959 C ALA A 65 -0.576 -7.645 -1.548 1.00 0.38 C ATOM 960 O ALA A 65 0.207 -6.750 -1.817 1.00 0.46 O ATOM 961 CB ALA A 65 -2.456 -7.332 0.038 1.00 0.42 C ATOM 0 H ALA A 65 -3.524 -8.874 -1.546 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.293 -6.412 -1.889 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.876 -6.561 0.546 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.518 -7.105 0.126 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.253 -8.300 0.496 1.00 0.42 H new ATOM 967 N GLY A 66 -0.210 -8.897 -1.396 1.00 0.39 N ATOM 968 CA GLY A 66 1.170 -9.279 -1.485 1.00 0.46 C ATOM 969 C GLY A 66 1.647 -9.502 -2.912 1.00 0.48 C ATOM 970 O GLY A 66 2.726 -10.042 -3.118 1.00 0.77 O ATOM 0 H GLY A 66 -0.854 -9.666 -1.210 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.783 -8.506 -1.022 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.323 -10.193 -0.912 1.00 0.46 H new ATOM 974 N ARG A 67 0.845 -9.122 -3.896 1.00 0.36 N ATOM 975 CA ARG A 67 1.215 -9.262 -5.291 1.00 0.41 C ATOM 976 C ARG A 67 1.245 -7.934 -6.021 1.00 0.37 C ATOM 977 O ARG A 67 1.451 -7.895 -7.238 1.00 0.47 O ATOM 978 CB ARG A 67 0.287 -10.226 -6.021 1.00 0.55 C ATOM 979 CG ARG A 67 0.495 -11.710 -5.728 1.00 1.14 C ATOM 980 CD ARG A 67 1.884 -12.216 -6.137 1.00 1.95 C ATOM 981 NE ARG A 67 2.954 -11.742 -5.235 1.00 2.92 N ATOM 982 CZ ARG A 67 4.278 -11.781 -5.465 1.00 4.03 C ATOM 983 NH1 ARG A 67 4.762 -12.207 -6.628 1.00 4.35 N ATOM 984 NH2 ARG A 67 5.114 -11.360 -4.515 1.00 5.04 N ATOM 0 H ARG A 67 -0.076 -8.710 -3.748 1.00 0.36 H new ATOM 0 HA ARG A 67 2.226 -9.669 -5.293 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.742 -9.968 -5.770 1.00 0.55 H new ATOM 0 HB3 ARG A 67 0.403 -10.068 -7.093 1.00 0.55 H new ATOM 0 HG2 ARG A 67 0.350 -11.888 -4.662 1.00 1.14 H new ATOM 0 HG3 ARG A 67 -0.265 -12.288 -6.254 1.00 1.14 H new ATOM 0 HD2 ARG A 67 1.880 -13.306 -6.148 1.00 1.95 H new ATOM 0 HD3 ARG A 67 2.100 -11.888 -7.154 1.00 1.95 H new ATOM 0 HE ARG A 67 2.657 -11.343 -4.344 1.00 2.92 H new ATOM 0 HH11 ARG A 67 4.125 -12.511 -7.365 1.00 4.35 H new ATOM 0 HH12 ARG A 67 5.770 -12.229 -6.784 1.00 4.35 H new ATOM 0 HH21 ARG A 67 4.746 -11.015 -3.629 1.00 5.04 H new ATOM 0 HH22 ARG A 67 6.121 -11.384 -4.675 1.00 5.04 H new ATOM 998 N VAL A 68 1.033 -6.851 -5.311 1.00 0.37 N ATOM 999 CA VAL A 68 1.093 -5.540 -5.937 1.00 0.38 C ATOM 1000 C VAL A 68 2.550 -5.177 -6.233 1.00 0.42 C ATOM 1001 O VAL A 68 3.386 -5.105 -5.337 1.00 0.75 O ATOM 1002 CB VAL A 68 0.377 -4.436 -5.095 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.115 -4.709 -5.035 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.940 -4.337 -3.687 1.00 0.43 C ATOM 0 H VAL A 68 0.820 -6.844 -4.314 1.00 0.37 H new ATOM 0 HA VAL A 68 0.545 -5.591 -6.878 1.00 0.38 H new ATOM 0 HB VAL A 68 0.556 -3.482 -5.591 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.603 -3.933 -4.446 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.526 -4.710 -6.045 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.289 -5.680 -4.572 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.412 -3.557 -3.138 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.811 -5.291 -3.176 1.00 0.43 H new ATOM 0 HG23 VAL A 68 2.001 -4.092 -3.736 1.00 0.43 H new ATOM 1014 N ASP A 69 2.860 -5.048 -7.497 1.00 0.35 N ATOM 1015 CA ASP A 69 4.220 -4.774 -7.915 1.00 0.42 C ATOM 1016 C ASP A 69 4.512 -3.303 -7.791 1.00 0.33 C ATOM 1017 O ASP A 69 5.508 -2.899 -7.196 1.00 0.34 O ATOM 1018 CB ASP A 69 4.443 -5.252 -9.351 1.00 0.62 C ATOM 1019 CG ASP A 69 5.875 -5.115 -9.819 1.00 1.22 C ATOM 1020 OD1 ASP A 69 6.757 -5.868 -9.308 1.00 1.32 O ATOM 1021 OD2 ASP A 69 6.146 -4.313 -10.731 1.00 2.03 O ATOM 0 H ASP A 69 2.189 -5.128 -8.261 1.00 0.35 H new ATOM 0 HA ASP A 69 4.905 -5.319 -7.265 1.00 0.42 H new ATOM 0 HB2 ASP A 69 4.143 -6.297 -9.428 1.00 0.62 H new ATOM 0 HB3 ASP A 69 3.795 -4.684 -10.019 1.00 0.62 H new ATOM 1026 N THR A 70 3.640 -2.512 -8.321 1.00 0.30 N ATOM 1027 CA THR A 70 3.791 -1.097 -8.277 1.00 0.28 C ATOM 1028 C THR A 70 2.835 -0.492 -7.229 1.00 0.26 C ATOM 1029 O THR A 70 1.715 -0.994 -7.049 1.00 0.27 O ATOM 1030 CB THR A 70 3.545 -0.481 -9.690 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.237 -0.829 -10.174 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.571 -1.002 -10.686 1.00 0.35 C ATOM 0 H THR A 70 2.798 -2.831 -8.800 1.00 0.30 H new ATOM 0 HA THR A 70 4.812 -0.858 -7.980 1.00 0.28 H new ATOM 0 HB THR A 70 3.631 0.601 -9.595 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.186 -1.798 -10.311 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.384 -0.562 -11.665 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.573 -0.731 -10.352 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.493 -2.087 -10.755 1.00 0.35 H new ATOM 1040 N PRO A 71 3.271 0.558 -6.466 1.00 0.26 N ATOM 1041 CA PRO A 71 2.414 1.260 -5.492 1.00 0.26 C ATOM 1042 C PRO A 71 1.132 1.765 -6.127 1.00 0.24 C ATOM 1043 O PRO A 71 0.106 1.903 -5.453 1.00 0.25 O ATOM 1044 CB PRO A 71 3.286 2.418 -5.026 1.00 0.30 C ATOM 1045 CG PRO A 71 4.661 1.887 -5.168 1.00 0.32 C ATOM 1046 CD PRO A 71 4.638 1.088 -6.434 1.00 0.29 C ATOM 0 HA PRO A 71 2.089 0.610 -4.679 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.133 3.308 -5.637 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.067 2.697 -3.995 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.392 2.694 -5.223 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.935 1.267 -4.315 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.851 1.707 -7.306 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.380 0.290 -6.421 1.00 0.29 H new ATOM 1054 N ARG A 72 1.204 2.039 -7.431 1.00 0.24 N ATOM 1055 CA ARG A 72 0.013 2.368 -8.242 1.00 0.27 C ATOM 1056 C ARG A 72 -1.095 1.323 -8.021 1.00 0.23 C ATOM 1057 O ARG A 72 -2.247 1.666 -7.778 1.00 0.27 O ATOM 1058 CB ARG A 72 0.388 2.386 -9.726 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.784 2.512 -10.682 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.311 2.461 -12.116 1.00 0.72 C ATOM 1061 NE ARG A 72 0.491 3.632 -12.470 1.00 0.79 N ATOM 1062 CZ ARG A 72 1.588 3.626 -13.246 1.00 1.57 C ATOM 1063 NH1 ARG A 72 2.182 2.480 -13.582 1.00 2.55 N ATOM 1064 NH2 ARG A 72 2.111 4.777 -13.644 1.00 1.67 N ATOM 0 H ARG A 72 2.077 2.041 -7.958 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.352 3.349 -7.937 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.072 3.216 -9.902 1.00 0.36 H new ATOM 0 HB3 ARG A 72 0.931 1.470 -9.959 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.496 1.707 -10.500 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -1.309 3.450 -10.500 1.00 0.53 H new ATOM 0 HD2 ARG A 72 0.278 1.557 -12.272 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.173 2.398 -12.780 1.00 0.72 H new ATOM 0 HE ARG A 72 0.191 4.532 -12.095 1.00 0.79 H new ATOM 0 HH11 ARG A 72 1.804 1.593 -13.249 1.00 2.55 H new ATOM 0 HH12 ARG A 72 3.014 2.491 -14.172 1.00 2.55 H new ATOM 0 HH21 ARG A 72 1.681 5.658 -13.361 1.00 1.67 H new ATOM 0 HH22 ARG A 72 2.944 4.782 -14.233 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.708 0.060 -8.057 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.629 -1.050 -7.910 1.00 0.24 C ATOM 1080 C GLU A 73 -2.174 -1.122 -6.509 1.00 0.21 C ATOM 1081 O GLU A 73 -3.330 -1.391 -6.324 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.935 -2.342 -8.240 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.459 -2.422 -9.657 1.00 0.44 C ATOM 1084 CD GLU A 73 0.416 -3.601 -9.867 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -0.096 -4.716 -9.978 1.00 1.49 O ATOM 1086 OE2 GLU A 73 1.647 -3.430 -9.931 1.00 2.08 O ATOM 0 H GLU A 73 0.262 -0.225 -8.190 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.459 -0.890 -8.599 1.00 0.24 H new ATOM 0 HB2 GLU A 73 -0.083 -2.468 -7.572 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.617 -3.170 -8.047 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -1.316 -2.479 -10.328 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.085 -1.513 -9.912 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.328 -0.863 -5.524 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.753 -0.908 -4.122 1.00 0.21 C ATOM 1095 C LEU A 74 -2.802 0.193 -3.882 1.00 0.19 C ATOM 1096 O LEU A 74 -3.821 -0.030 -3.213 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.508 -0.767 -3.191 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.667 -1.059 -1.663 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.449 0.019 -0.929 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.311 -2.424 -1.437 1.00 0.88 C ATOM 0 H LEU A 74 -0.347 -0.620 -5.662 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.218 -1.866 -3.888 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.266 -1.432 -3.574 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.134 0.251 -3.294 1.00 0.25 H new ATOM 0 HG LEU A 74 0.340 -1.060 -1.245 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.525 -0.242 0.127 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.935 0.975 -1.031 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.449 0.098 -1.356 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.412 -2.606 -0.367 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.296 -2.443 -1.903 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.685 -3.199 -1.880 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.559 1.354 -4.475 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.476 2.480 -4.402 1.00 0.21 C ATOM 1114 C LEU A 75 -4.799 2.102 -5.063 1.00 0.20 C ATOM 1115 O LEU A 75 -5.864 2.221 -4.458 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.868 3.685 -5.122 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.685 4.980 -5.107 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.807 5.528 -3.699 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -3.055 6.002 -6.028 1.00 0.37 C ATOM 0 H LEU A 75 -1.718 1.540 -5.021 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.653 2.737 -3.357 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.895 3.892 -4.677 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.691 3.407 -6.161 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.690 4.759 -5.466 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.392 6.448 -3.716 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.304 4.794 -3.065 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.813 5.737 -3.303 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.643 6.919 -6.010 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -2.040 6.216 -5.694 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -3.027 5.608 -7.044 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.700 1.613 -6.290 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.853 1.179 -7.088 1.00 0.25 C ATOM 1133 C ASP A 76 -6.631 0.065 -6.403 1.00 0.23 C ATOM 1134 O ASP A 76 -7.850 0.062 -6.410 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.386 0.729 -8.476 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.467 0.066 -9.303 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -7.328 0.791 -9.848 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -6.500 -1.182 -9.388 1.00 1.07 O ATOM 0 H ASP A 76 -3.808 1.502 -6.772 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.527 2.029 -7.190 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -5.007 1.595 -9.019 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.553 0.035 -8.361 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.916 -0.858 -5.806 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.495 -1.981 -5.094 1.00 0.23 C ATOM 1145 C LEU A 77 -7.357 -1.503 -3.935 1.00 0.26 C ATOM 1146 O LEU A 77 -8.533 -1.889 -3.810 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.373 -2.889 -4.574 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.787 -4.145 -3.822 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.582 -5.074 -4.723 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.560 -4.849 -3.267 1.00 0.32 C ATOM 0 H LEU A 77 -4.896 -0.853 -5.799 1.00 0.21 H new ATOM 0 HA LEU A 77 -7.130 -2.540 -5.781 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.761 -3.191 -5.424 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.736 -2.297 -3.917 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.428 -3.857 -2.989 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -6.868 -5.966 -4.165 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.478 -4.562 -5.073 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -5.971 -5.362 -5.579 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -4.867 -5.747 -2.730 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -3.897 -5.125 -4.087 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.034 -4.181 -2.585 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.796 -0.646 -3.109 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.502 -0.169 -1.950 1.00 0.29 C ATOM 1164 C ILE A 78 -8.580 0.838 -2.327 1.00 0.29 C ATOM 1165 O ILE A 78 -9.696 0.762 -1.824 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.547 0.339 -0.837 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.637 -0.836 -0.420 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.335 0.883 0.367 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.746 -0.578 0.762 1.00 0.34 C ATOM 0 H ILE A 78 -5.855 -0.269 -3.222 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.019 -1.023 -1.513 1.00 0.29 H new ATOM 0 HB ILE A 78 -5.943 1.164 -1.214 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.266 -1.698 -0.197 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -5.012 -1.108 -1.271 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.639 1.231 1.130 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -7.965 1.712 0.045 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -7.960 0.092 0.780 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.150 -1.467 0.969 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.084 0.260 0.543 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.357 -0.339 1.633 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.284 1.733 -3.256 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.301 2.675 -3.733 1.00 0.32 C ATOM 1183 C ASN A 79 -10.397 1.971 -4.484 1.00 0.31 C ATOM 1184 O ASN A 79 -11.516 2.443 -4.528 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.732 3.854 -4.537 1.00 0.44 C ATOM 1186 CG ASN A 79 -8.395 5.026 -3.643 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.031 5.233 -2.632 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.422 5.803 -4.006 1.00 0.89 N ATOM 0 H ASN A 79 -7.367 1.832 -3.692 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.733 3.117 -2.835 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.837 3.533 -5.070 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.457 4.166 -5.289 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -7.175 6.612 -3.436 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -6.903 5.605 -4.862 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.075 0.833 -5.064 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.070 0.008 -5.705 1.00 0.39 C ATOM 1197 C GLY A 80 -12.060 -0.507 -4.690 1.00 0.42 C ATOM 1198 O GLY A 80 -13.267 -0.465 -4.912 1.00 0.47 O ATOM 0 H GLY A 80 -9.127 0.460 -5.103 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.591 0.584 -6.470 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.587 -0.829 -6.209 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.547 -0.946 -3.550 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.382 -1.427 -2.459 1.00 0.51 C ATOM 1204 C ALA A 81 -13.148 -0.263 -1.826 1.00 0.52 C ATOM 1205 O ALA A 81 -14.257 -0.429 -1.332 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.540 -2.148 -1.417 1.00 0.56 C ATOM 0 H ALA A 81 -10.546 -0.979 -3.356 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.104 -2.138 -2.861 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.183 -2.500 -0.610 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.039 -2.999 -1.879 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.794 -1.463 -1.014 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.545 0.907 -1.860 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.159 2.128 -1.353 1.00 0.54 C ATOM 1214 C LEU A 82 -14.255 2.637 -2.293 1.00 0.62 C ATOM 1215 O LEU A 82 -15.252 3.205 -1.851 1.00 0.84 O ATOM 1216 CB LEU A 82 -12.093 3.200 -1.125 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.126 2.927 0.025 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -9.987 3.928 0.028 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.869 2.992 1.339 1.00 1.03 C ATOM 0 H LEU A 82 -11.609 1.044 -2.242 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.632 1.898 -0.398 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.516 3.316 -2.043 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.592 4.151 -0.940 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.704 1.931 -0.109 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.314 3.710 0.857 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.440 3.859 -0.912 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.388 4.935 0.141 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -11.177 2.797 2.158 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.306 3.983 1.461 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -12.661 2.243 1.347 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.075 2.426 -3.579 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.058 2.825 -4.572 1.00 0.66 C ATOM 1233 C ALA A 83 -16.304 1.955 -4.474 1.00 0.86 C ATOM 1234 O ALA A 83 -17.426 2.432 -4.658 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.463 2.760 -5.968 1.00 0.64 C ATOM 0 H ALA A 83 -13.247 1.975 -3.968 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.348 3.857 -4.373 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.214 3.062 -6.698 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.606 3.431 -6.030 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.141 1.740 -6.179 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.111 0.686 -4.139 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.225 -0.248 -3.980 1.00 1.18 C ATOM 1243 C GLU A 84 -17.750 -0.217 -2.543 1.00 1.28 C ATOM 1244 O GLU A 84 -18.588 -1.034 -2.149 1.00 1.63 O ATOM 1245 CB GLU A 84 -16.809 -1.675 -4.367 1.00 1.30 C ATOM 1246 CG GLU A 84 -15.674 -2.233 -3.533 1.00 1.61 C ATOM 1247 CD GLU A 84 -15.322 -3.641 -3.893 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -14.627 -3.857 -4.895 1.00 2.66 O ATOM 1249 OE2 GLU A 84 -15.745 -4.567 -3.189 1.00 2.42 O ATOM 0 H GLU A 84 -15.192 0.276 -3.971 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.025 0.065 -4.651 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -17.673 -2.333 -4.273 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -16.514 -1.685 -5.416 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -14.794 -1.601 -3.657 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -15.950 -2.191 -2.479 1.00 1.61 H new ATOM 1256 N ALA A 85 -17.247 0.711 -1.766 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.691 0.890 -0.416 1.00 1.33 C ATOM 1258 C ALA A 85 -18.724 1.985 -0.390 1.00 1.71 C ATOM 1259 O ALA A 85 -18.443 3.133 -0.764 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.528 1.232 0.508 1.00 1.30 C ATOM 0 H ALA A 85 -16.517 1.362 -2.058 1.00 1.13 H new ATOM 0 HA ALA A 85 -18.127 -0.042 -0.056 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.897 1.362 1.525 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.797 0.424 0.488 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -16.056 2.156 0.173 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.907 1.630 -0.029 1.00 2.12 N ATOM 1267 CA ALA A 86 -20.991 2.551 0.085 1.00 2.78 C ATOM 1268 C ALA A 86 -21.402 2.601 1.534 1.00 3.16 C ATOM 1269 O ALA A 86 -22.160 1.705 1.990 1.00 3.59 O ATOM 1270 CB ALA A 86 -22.155 2.127 -0.804 1.00 3.57 C ATOM 1271 OXT ALA A 86 -20.928 3.490 2.256 1.00 3.56 O ATOM 0 H ALA A 86 -20.157 0.668 0.202 1.00 2.12 H new ATOM 0 HA ALA A 86 -20.683 3.542 -0.247 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -22.971 2.843 -0.702 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.827 2.097 -1.843 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -22.501 1.138 -0.504 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 6.494 -11.972 -0.286 1.00 0.90 P HETATM 1279 O26 SXD A 87 7.027 -11.360 1.020 1.00 1.54 O HETATM 1280 O23 SXD A 87 7.546 -12.523 -1.278 1.00 1.52 O HETATM 1281 O27 SXD A 87 5.567 -13.175 0.060 1.00 1.03 O HETATM 1282 C28 SXD A 87 4.610 -13.054 1.169 1.00 0.94 C HETATM 1283 C29 SXD A 87 3.611 -14.218 1.227 1.00 1.31 C HETATM 1284 C30 SXD A 87 2.797 -13.981 2.486 1.00 1.48 C HETATM 1285 C31 SXD A 87 2.681 -14.158 0.012 1.00 1.80 C HETATM 1286 C32 SXD A 87 4.358 -15.647 1.277 1.00 2.11 C HETATM 1287 O33 SXD A 87 5.104 -15.859 0.069 1.00 2.59 O HETATM 1288 C34 SXD A 87 3.338 -16.797 1.330 1.00 2.68 C HETATM 1289 O35 SXD A 87 3.159 -17.489 0.316 1.00 3.26 O HETATM 1290 N36 SXD A 87 2.687 -16.989 2.454 1.00 2.90 N HETATM 1291 C37 SXD A 87 1.676 -18.023 2.658 1.00 3.68 C HETATM 1292 C38 SXD A 87 0.512 -17.507 3.498 1.00 4.14 C HETATM 1293 C39 SXD A 87 0.813 -17.422 4.988 1.00 4.26 C HETATM 1294 O40 SXD A 87 1.775 -18.004 5.494 1.00 4.93 O HETATM 1295 N41 SXD A 87 -0.038 -16.693 5.678 1.00 4.07 N HETATM 1296 C42 SXD A 87 0.038 -16.475 7.113 1.00 4.66 C HETATM 1297 C43 SXD A 87 -1.172 -15.720 7.621 1.00 4.86 C HETATM 1298 S1 SXD A 87 -1.226 -15.651 9.415 1.00 5.53 S HETATM 1299 C1 SXD A 87 -2.765 -14.740 9.680 1.00 6.36 C HETATM 1300 C2 SXD A 87 -3.141 -14.625 11.150 1.00 6.96 C HETATM 1301 C3 SXD A 87 -2.099 -13.878 11.974 1.00 7.66 C HETATM 1302 O3 SXD A 87 -2.010 -12.622 11.913 1.00 8.05 O HETATM 1303 C4 SXD A 87 -1.122 -14.689 12.834 1.00 8.24 C HETATM 1304 C5 SXD A 87 -1.719 -15.419 14.043 1.00 8.87 C HETATM 1305 O5 SXD A 87 -1.491 -15.021 15.198 1.00 9.15 O HETATM 1306 C6 SXD A 87 -2.554 -16.667 13.812 1.00 9.45 C HETATM 0 HO33 SXD A 87 5.470 -15.005 -0.244 1.00 2.59 H new HETATM 0 HN41 SXD A 87 -0.804 -16.250 5.171 1.00 4.07 H new HETATM 0 HN36 SXD A 87 2.902 -16.374 3.239 1.00 2.90 H new HETATM 0 H43A SXD A 87 -1.160 -14.706 7.220 1.00 4.86 H new HETATM 0 H42A SXD A 87 0.112 -17.434 7.625 1.00 4.66 H new HETATM 0 H38A SXD A 87 0.228 -16.518 3.138 1.00 4.14 H new HETATM 0 H37A SXD A 87 1.305 -18.367 1.692 1.00 3.68 H new HETATM 0 H31B SXD A 87 2.137 -13.214 0.017 1.00 1.80 H new HETATM 0 H31A SXD A 87 3.271 -14.232 -0.902 1.00 1.80 H new HETATM 0 H30B SXD A 87 3.459 -13.978 3.352 1.00 1.48 H new HETATM 0 H30A SXD A 87 2.288 -13.020 2.415 1.00 1.48 H new HETATM 0 H28A SXD A 87 5.157 -13.005 2.110 1.00 0.94 H new HETATM 0 H6B SXD A 87 -3.415 -16.419 13.191 1.00 9.45 H new HETATM 0 H6A SXD A 87 -1.949 -17.422 13.309 1.00 9.45 H new HETATM 0 H6 SXD A 87 -2.898 -17.057 14.770 1.00 9.45 H new HETATM 0 H4A SXD A 87 -0.637 -15.427 12.195 1.00 8.24 H new HETATM 0 H43 SXD A 87 -2.078 -16.198 7.250 1.00 4.86 H new HETATM 0 H42 SXD A 87 0.943 -15.917 7.350 1.00 4.66 H new HETATM 0 H4 SXD A 87 -0.343 -14.016 13.192 1.00 8.24 H new HETATM 0 H38 SXD A 87 -0.348 -18.160 3.348 1.00 4.14 H new HETATM 0 H37 SXD A 87 2.128 -18.884 3.150 1.00 3.68 H new HETATM 0 H32 SXD A 87 4.997 -15.637 2.160 1.00 2.11 H new HETATM 0 H31 SXD A 87 1.972 -14.985 0.055 1.00 1.80 H new HETATM 0 H30 SXD A 87 2.059 -14.775 2.597 1.00 1.48 H new HETATM 0 H2A SXD A 87 -4.099 -14.113 11.235 1.00 6.96 H new HETATM 0 H28 SXD A 87 4.062 -12.117 1.069 1.00 0.94 H new HETATM 0 H2 SXD A 87 -3.276 -15.624 11.564 1.00 6.96 H new HETATM 0 H1A SXD A 87 -2.667 -13.741 9.256 1.00 6.36 H new HETATM 0 H1 SXD A 87 -3.572 -15.237 9.142 1.00 6.36 H new