USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -173:sc= -0.981 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.0594 (180deg=-0.0662) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 123:sc= 1.09 USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0.417 (180deg=0.335) USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.0318 USER MOD Single : A 16 SER OG : rot -8:sc= 1.16 USER MOD Single : A 28 MET CE :methyl -164:sc= -0.172 (180deg=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.09) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.617 K(o=-0.62,f=-5!) USER MOD Single : A 54 CYS SG : rot 95:sc= -3.33! USER MOD Single : A 55 ASN : amide:sc= -0.0653 K(o=-0.065,f=-1.6!) USER MOD Single : A 57 MET CE :methyl -113:sc= -5.72! (180deg=-8.29!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 61 MET CE :methyl 154:sc= -0.273 (180deg=-0.383) USER MOD Single : A 64 ASN : amide:sc= -0.855 X(o=-0.85,f=-0.45) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.862 -10.316 -4.280 1.00 0.00 N ATOM 2 CA MET A 1 -4.842 -9.105 -5.133 1.00 0.00 C ATOM 3 C MET A 1 -3.819 -8.114 -4.603 1.00 0.00 C ATOM 4 O MET A 1 -3.733 -7.895 -3.400 1.00 0.00 O ATOM 5 CB MET A 1 -6.230 -8.457 -5.167 1.00 0.00 C ATOM 6 CG MET A 1 -6.340 -7.279 -6.124 1.00 0.00 C ATOM 7 SD MET A 1 -7.990 -6.551 -6.136 1.00 0.00 S ATOM 8 CE MET A 1 -7.801 -5.325 -7.429 1.00 0.00 C ATOM 0 H1 MET A 1 -5.539 -11.003 -4.668 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.913 -10.741 -4.258 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.148 -10.056 -3.314 1.00 0.00 H new ATOM 0 HA MET A 1 -4.565 -9.394 -6.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.965 -9.211 -5.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.488 -8.121 -4.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.612 -6.518 -5.843 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.084 -7.608 -7.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.696 -4.704 -7.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.935 -4.699 -7.213 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.657 -5.825 -8.387 1.00 0.00 H new ATOM 20 N LYS A 2 -3.046 -7.526 -5.500 1.00 0.00 N ATOM 21 CA LYS A 2 -1.988 -6.605 -5.111 1.00 0.00 C ATOM 22 C LYS A 2 -2.547 -5.226 -4.814 1.00 0.00 C ATOM 23 O LYS A 2 -3.608 -4.851 -5.311 1.00 0.00 O ATOM 24 CB LYS A 2 -0.937 -6.472 -6.215 1.00 0.00 C ATOM 25 CG LYS A 2 0.010 -7.658 -6.353 1.00 0.00 C ATOM 26 CD LYS A 2 -0.715 -8.937 -6.726 1.00 0.00 C ATOM 27 CE LYS A 2 0.245 -9.973 -7.282 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.470 -11.161 -7.819 1.00 0.00 N ATOM 0 H LYS A 2 -3.131 -7.670 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.526 -7.016 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.448 -6.323 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.346 -5.575 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.760 -7.434 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.542 -7.806 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.220 -9.340 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.486 -8.718 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.846 -9.523 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.933 -10.288 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.221 -11.844 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.024 -11.606 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.108 -10.865 -8.585 1.00 0.00 H new ATOM 42 N LEU A 3 -1.818 -4.477 -4.005 1.00 0.00 N ATOM 43 CA LEU A 3 -2.125 -3.081 -3.757 1.00 0.00 C ATOM 44 C LEU A 3 -1.944 -2.280 -5.047 1.00 0.00 C ATOM 45 O LEU A 3 -2.634 -1.290 -5.288 1.00 0.00 O ATOM 46 CB LEU A 3 -1.211 -2.555 -2.644 1.00 0.00 C ATOM 47 CG LEU A 3 -1.295 -1.058 -2.346 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.729 -0.629 -2.087 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.428 -0.715 -1.153 1.00 0.00 C ATOM 0 H LEU A 3 -0.999 -4.819 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.161 -2.974 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.440 -3.099 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.180 -2.794 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.932 -0.519 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.757 0.440 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.337 -0.843 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.124 -1.176 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.495 0.354 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.771 -1.273 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.608 -0.979 -1.368 1.00 0.00 H new ATOM 61 N SER A 4 -1.024 -2.740 -5.883 1.00 0.00 N ATOM 62 CA SER A 4 -0.751 -2.106 -7.162 1.00 0.00 C ATOM 63 C SER A 4 -1.809 -2.464 -8.215 1.00 0.00 C ATOM 64 O SER A 4 -1.897 -1.821 -9.263 1.00 0.00 O ATOM 65 CB SER A 4 0.634 -2.526 -7.633 1.00 0.00 C ATOM 66 OG SER A 4 0.844 -3.900 -7.376 1.00 0.00 O ATOM 0 H SER A 4 -0.448 -3.560 -5.693 1.00 0.00 H new ATOM 0 HA SER A 4 -0.789 -1.025 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.738 -2.329 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.394 -1.933 -7.124 1.00 0.00 H new ATOM 0 HG SER A 4 1.067 -4.359 -8.213 1.00 0.00 H new ATOM 72 N GLU A 5 -2.614 -3.491 -7.934 1.00 0.00 N ATOM 73 CA GLU A 5 -3.667 -3.914 -8.857 1.00 0.00 C ATOM 74 C GLU A 5 -4.930 -3.086 -8.647 1.00 0.00 C ATOM 75 O GLU A 5 -5.912 -3.217 -9.383 1.00 0.00 O ATOM 76 CB GLU A 5 -3.985 -5.405 -8.698 1.00 0.00 C ATOM 77 CG GLU A 5 -2.852 -6.322 -9.125 1.00 0.00 C ATOM 78 CD GLU A 5 -3.238 -7.789 -9.092 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.514 -8.313 -7.992 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.267 -8.425 -10.164 1.00 0.00 O ATOM 0 H GLU A 5 -2.557 -4.043 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.300 -3.751 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.229 -5.606 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.873 -5.642 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.537 -6.057 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.995 -6.162 -8.471 1.00 0.00 H new ATOM 87 N LEU A 6 -4.896 -2.236 -7.633 1.00 0.00 N ATOM 88 CA LEU A 6 -6.003 -1.335 -7.350 1.00 0.00 C ATOM 89 C LEU A 6 -6.008 -0.165 -8.322 1.00 0.00 C ATOM 90 O LEU A 6 -5.053 0.035 -9.072 1.00 0.00 O ATOM 91 CB LEU A 6 -5.921 -0.818 -5.915 1.00 0.00 C ATOM 92 CG LEU A 6 -6.138 -1.875 -4.837 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.010 -1.260 -3.456 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.499 -2.524 -5.003 1.00 0.00 C ATOM 0 H LEU A 6 -4.110 -2.151 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.931 -1.894 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.943 -0.362 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.663 -0.030 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.371 -2.642 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.168 -2.029 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.014 -0.834 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.757 -0.475 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.640 -3.276 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.277 -1.765 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.559 -2.998 -5.983 1.00 0.00 H new ATOM 106 N LYS A 7 -7.094 0.592 -8.321 1.00 0.00 N ATOM 107 CA LYS A 7 -7.198 1.775 -9.165 1.00 0.00 C ATOM 108 C LYS A 7 -7.112 3.025 -8.300 1.00 0.00 C ATOM 109 O LYS A 7 -7.233 2.947 -7.076 1.00 0.00 O ATOM 110 CB LYS A 7 -8.521 1.780 -9.942 1.00 0.00 C ATOM 111 CG LYS A 7 -9.001 0.403 -10.373 1.00 0.00 C ATOM 112 CD LYS A 7 -8.030 -0.282 -11.318 1.00 0.00 C ATOM 113 CE LYS A 7 -8.446 -1.722 -11.577 1.00 0.00 C ATOM 114 NZ LYS A 7 -8.506 -2.518 -10.319 1.00 0.00 N ATOM 0 H LYS A 7 -7.916 0.410 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.377 1.761 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.290 2.242 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.406 2.405 -10.828 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.145 -0.221 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.972 0.496 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.988 0.264 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.027 -0.260 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.422 -1.736 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.740 -2.185 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.693 -3.515 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.598 -2.442 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.268 -2.153 -9.713 1.00 0.00 H new ATOM 128 N ALA A 8 -6.907 4.175 -8.930 1.00 0.00 N ATOM 129 CA ALA A 8 -6.840 5.436 -8.207 1.00 0.00 C ATOM 130 C ALA A 8 -8.220 5.822 -7.692 1.00 0.00 C ATOM 131 O ALA A 8 -9.009 6.456 -8.395 1.00 0.00 O ATOM 132 CB ALA A 8 -6.265 6.533 -9.089 1.00 0.00 C ATOM 0 H ALA A 8 -6.785 4.259 -9.939 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.176 5.311 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.224 7.467 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.260 6.256 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.899 6.664 -9.966 1.00 0.00 H new ATOM 138 N GLY A 9 -8.504 5.420 -6.465 1.00 0.00 N ATOM 139 CA GLY A 9 -9.813 5.631 -5.889 1.00 0.00 C ATOM 140 C GLY A 9 -10.328 4.383 -5.206 1.00 0.00 C ATOM 141 O GLY A 9 -11.333 4.423 -4.493 1.00 0.00 O ATOM 0 H GLY A 9 -7.842 4.945 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.767 6.448 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.511 5.933 -6.670 1.00 0.00 H new ATOM 145 N ASP A 10 -9.632 3.271 -5.422 1.00 0.00 N ATOM 146 CA ASP A 10 -10.010 1.994 -4.825 1.00 0.00 C ATOM 147 C ASP A 10 -9.752 1.990 -3.330 1.00 0.00 C ATOM 148 O ASP A 10 -8.695 2.425 -2.868 1.00 0.00 O ATOM 149 CB ASP A 10 -9.244 0.835 -5.467 1.00 0.00 C ATOM 150 CG ASP A 10 -10.065 0.081 -6.489 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.285 -0.073 -6.285 1.00 0.00 O ATOM 152 OD2 ASP A 10 -9.486 -0.374 -7.494 1.00 0.00 O ATOM 0 H ASP A 10 -8.799 3.229 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.077 1.862 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.344 1.222 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.920 0.145 -4.688 1.00 0.00 H new ATOM 157 N ARG A 11 -10.724 1.494 -2.582 1.00 0.00 N ATOM 158 CA ARG A 11 -10.588 1.365 -1.142 1.00 0.00 C ATOM 159 C ARG A 11 -10.397 -0.105 -0.786 1.00 0.00 C ATOM 160 O ARG A 11 -11.190 -0.955 -1.192 1.00 0.00 O ATOM 161 CB ARG A 11 -11.830 1.919 -0.444 1.00 0.00 C ATOM 162 CG ARG A 11 -11.651 2.113 1.053 1.00 0.00 C ATOM 163 CD ARG A 11 -12.937 2.588 1.715 1.00 0.00 C ATOM 164 NE ARG A 11 -13.521 3.734 1.024 1.00 0.00 N ATOM 165 CZ ARG A 11 -13.495 4.983 1.480 1.00 0.00 C ATOM 166 NH1 ARG A 11 -12.825 5.281 2.587 1.00 0.00 N ATOM 167 NH2 ARG A 11 -14.117 5.938 0.804 1.00 0.00 N ATOM 0 H ARG A 11 -11.619 1.173 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.721 1.935 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.095 2.874 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.666 1.242 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.333 1.174 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.858 2.839 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.658 1.771 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.733 2.856 2.752 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.981 3.565 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.326 4.550 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.809 6.241 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.611 5.713 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.102 6.898 1.147 1.00 0.00 H new ATOM 181 N ALA A 12 -9.352 -0.408 -0.033 1.00 0.00 N ATOM 182 CA ALA A 12 -9.029 -1.787 0.289 1.00 0.00 C ATOM 183 C ALA A 12 -8.466 -1.907 1.699 1.00 0.00 C ATOM 184 O ALA A 12 -8.240 -0.908 2.379 1.00 0.00 O ATOM 185 CB ALA A 12 -8.038 -2.341 -0.724 1.00 0.00 C ATOM 0 H ALA A 12 -8.715 0.281 0.366 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.949 -2.370 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.802 -3.375 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.476 -2.299 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.125 -1.746 -0.703 1.00 0.00 H new ATOM 191 N GLU A 13 -8.258 -3.139 2.127 1.00 0.00 N ATOM 192 CA GLU A 13 -7.632 -3.422 3.406 1.00 0.00 C ATOM 193 C GLU A 13 -6.437 -4.341 3.184 1.00 0.00 C ATOM 194 O GLU A 13 -6.521 -5.292 2.405 1.00 0.00 O ATOM 195 CB GLU A 13 -8.647 -4.071 4.352 1.00 0.00 C ATOM 196 CG GLU A 13 -8.107 -4.360 5.743 1.00 0.00 C ATOM 197 CD GLU A 13 -9.158 -4.951 6.663 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.438 -6.161 6.553 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.708 -4.210 7.504 1.00 0.00 O ATOM 0 H GLU A 13 -8.518 -3.971 1.598 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.287 -2.494 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.514 -3.417 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.995 -5.004 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.266 -5.050 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.724 -3.438 6.179 1.00 0.00 H new ATOM 206 N VAL A 14 -5.324 -4.041 3.840 1.00 0.00 N ATOM 207 CA VAL A 14 -4.107 -4.829 3.681 1.00 0.00 C ATOM 208 C VAL A 14 -4.244 -6.184 4.363 1.00 0.00 C ATOM 209 O VAL A 14 -4.267 -6.270 5.592 1.00 0.00 O ATOM 210 CB VAL A 14 -2.875 -4.099 4.256 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.629 -4.963 4.127 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.668 -2.765 3.559 1.00 0.00 C ATOM 0 H VAL A 14 -5.238 -3.258 4.488 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.962 -4.972 2.610 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.056 -3.911 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.772 -4.429 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.774 -5.894 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.447 -5.185 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.794 -2.267 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.513 -2.932 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.548 -2.138 3.704 1.00 0.00 H new ATOM 222 N THR A 15 -4.330 -7.238 3.562 1.00 0.00 N ATOM 223 CA THR A 15 -4.456 -8.580 4.091 1.00 0.00 C ATOM 224 C THR A 15 -3.086 -9.185 4.376 1.00 0.00 C ATOM 225 O THR A 15 -2.941 -10.001 5.287 1.00 0.00 O ATOM 226 CB THR A 15 -5.249 -9.492 3.132 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.766 -9.345 1.792 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.732 -9.161 3.173 1.00 0.00 C ATOM 0 H THR A 15 -4.314 -7.184 2.544 1.00 0.00 H new ATOM 0 HA THR A 15 -5.008 -8.508 5.028 1.00 0.00 H new ATOM 0 HB THR A 15 -5.108 -10.523 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.373 -9.803 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.270 -9.817 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.109 -9.305 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.882 -8.124 2.874 1.00 0.00 H new ATOM 236 N SER A 16 -2.081 -8.782 3.599 1.00 0.00 N ATOM 237 CA SER A 16 -0.703 -9.224 3.818 1.00 0.00 C ATOM 238 C SER A 16 0.288 -8.294 3.121 1.00 0.00 C ATOM 239 O SER A 16 -0.028 -7.699 2.095 1.00 0.00 O ATOM 240 CB SER A 16 -0.499 -10.660 3.313 1.00 0.00 C ATOM 241 OG SER A 16 -1.267 -11.588 4.060 1.00 0.00 O ATOM 0 H SER A 16 -2.196 -8.147 2.809 1.00 0.00 H new ATOM 0 HA SER A 16 -0.519 -9.196 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.777 -10.720 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.557 -10.923 3.379 1.00 0.00 H new ATOM 0 HG SER A 16 -1.675 -11.133 4.826 1.00 0.00 H new ATOM 247 N VAL A 17 1.480 -8.166 3.694 1.00 0.00 N ATOM 248 CA VAL A 17 2.550 -7.383 3.094 1.00 0.00 C ATOM 249 C VAL A 17 3.768 -8.264 2.826 1.00 0.00 C ATOM 250 O VAL A 17 4.434 -8.719 3.754 1.00 0.00 O ATOM 251 CB VAL A 17 2.959 -6.193 3.994 1.00 0.00 C ATOM 252 CG1 VAL A 17 1.973 -5.051 3.847 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.056 -6.614 5.456 1.00 0.00 C ATOM 0 H VAL A 17 1.729 -8.600 4.583 1.00 0.00 H new ATOM 0 HA VAL A 17 2.174 -6.985 2.152 1.00 0.00 H new ATOM 0 HB VAL A 17 3.943 -5.855 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.277 -4.223 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.953 -4.719 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.979 -5.389 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.345 -5.756 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.089 -6.987 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.804 -7.400 5.559 1.00 0.00 H new ATOM 263 N ALA A 18 4.041 -8.523 1.555 1.00 0.00 N ATOM 264 CA ALA A 18 5.149 -9.395 1.182 1.00 0.00 C ATOM 265 C ALA A 18 6.318 -8.593 0.621 1.00 0.00 C ATOM 266 O ALA A 18 6.367 -8.285 -0.572 1.00 0.00 O ATOM 267 CB ALA A 18 4.694 -10.453 0.187 1.00 0.00 C ATOM 0 H ALA A 18 3.515 -8.145 0.768 1.00 0.00 H new ATOM 0 HA ALA A 18 5.493 -9.900 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.537 -11.091 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.906 -11.059 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.312 -9.968 -0.711 1.00 0.00 H new ATOM 273 N ALA A 19 7.254 -8.257 1.486 1.00 0.00 N ATOM 274 CA ALA A 19 8.419 -7.477 1.100 1.00 0.00 C ATOM 275 C ALA A 19 9.564 -7.777 2.046 1.00 0.00 C ATOM 276 O ALA A 19 9.392 -8.548 2.994 1.00 0.00 O ATOM 277 CB ALA A 19 8.097 -5.988 1.110 1.00 0.00 C ATOM 0 H ALA A 19 7.232 -8.514 2.473 1.00 0.00 H new ATOM 0 HA ALA A 19 8.710 -7.752 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.982 -5.422 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.289 -5.786 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.789 -5.689 2.112 1.00 0.00 H new ATOM 283 N GLU A 20 10.728 -7.188 1.785 1.00 0.00 N ATOM 284 CA GLU A 20 11.873 -7.346 2.671 1.00 0.00 C ATOM 285 C GLU A 20 11.487 -6.974 4.097 1.00 0.00 C ATOM 286 O GLU A 20 10.711 -6.044 4.311 1.00 0.00 O ATOM 287 CB GLU A 20 13.044 -6.476 2.208 1.00 0.00 C ATOM 288 CG GLU A 20 13.672 -6.943 0.908 1.00 0.00 C ATOM 289 CD GLU A 20 14.136 -8.381 0.977 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.984 -8.699 1.842 1.00 0.00 O ATOM 291 OE2 GLU A 20 13.650 -9.204 0.175 1.00 0.00 O ATOM 0 H GLU A 20 10.901 -6.600 0.970 1.00 0.00 H new ATOM 0 HA GLU A 20 12.184 -8.390 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.697 -5.450 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.807 -6.464 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.949 -6.835 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.519 -6.302 0.666 1.00 0.00 H new ATOM 298 N PRO A 21 12.038 -7.690 5.086 1.00 0.00 N ATOM 299 CA PRO A 21 11.687 -7.507 6.498 1.00 0.00 C ATOM 300 C PRO A 21 11.824 -6.056 6.951 1.00 0.00 C ATOM 301 O PRO A 21 11.029 -5.579 7.763 1.00 0.00 O ATOM 302 CB PRO A 21 12.675 -8.407 7.250 1.00 0.00 C ATOM 303 CG PRO A 21 13.711 -8.801 6.251 1.00 0.00 C ATOM 304 CD PRO A 21 13.046 -8.741 4.908 1.00 0.00 C ATOM 0 HA PRO A 21 10.644 -7.763 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.124 -7.877 8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.172 -9.284 7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.566 -8.127 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.086 -9.804 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.754 -8.492 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.592 -9.695 4.640 1.00 0.00 H new ATOM 312 N ALA A 22 12.818 -5.362 6.408 1.00 0.00 N ATOM 313 CA ALA A 22 13.039 -3.956 6.721 1.00 0.00 C ATOM 314 C ALA A 22 11.928 -3.083 6.147 1.00 0.00 C ATOM 315 O ALA A 22 11.327 -2.278 6.858 1.00 0.00 O ATOM 316 CB ALA A 22 14.385 -3.504 6.177 1.00 0.00 C ATOM 0 H ALA A 22 13.487 -5.754 5.745 1.00 0.00 H new ATOM 0 HA ALA A 22 13.033 -3.847 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.540 -2.452 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.178 -4.099 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.403 -3.636 5.095 1.00 0.00 H new ATOM 322 N VAL A 23 11.636 -3.277 4.865 1.00 0.00 N ATOM 323 CA VAL A 23 10.630 -2.483 4.168 1.00 0.00 C ATOM 324 C VAL A 23 9.259 -2.747 4.771 1.00 0.00 C ATOM 325 O VAL A 23 8.487 -1.825 5.034 1.00 0.00 O ATOM 326 CB VAL A 23 10.605 -2.815 2.660 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.587 -1.949 1.934 1.00 0.00 C ATOM 328 CG2 VAL A 23 11.988 -2.644 2.047 1.00 0.00 C ATOM 0 H VAL A 23 12.086 -3.984 4.283 1.00 0.00 H new ATOM 0 HA VAL A 23 10.887 -1.430 4.283 1.00 0.00 H new ATOM 0 HB VAL A 23 10.308 -3.858 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.586 -2.200 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.595 -2.127 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.849 -0.898 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.947 -2.883 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.318 -1.613 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.691 -3.313 2.543 1.00 0.00 H new ATOM 338 N ARG A 24 8.994 -4.024 5.017 1.00 0.00 N ATOM 339 CA ARG A 24 7.765 -4.469 5.657 1.00 0.00 C ATOM 340 C ARG A 24 7.563 -3.738 6.984 1.00 0.00 C ATOM 341 O ARG A 24 6.457 -3.308 7.305 1.00 0.00 O ATOM 342 CB ARG A 24 7.848 -5.992 5.857 1.00 0.00 C ATOM 343 CG ARG A 24 6.663 -6.644 6.568 1.00 0.00 C ATOM 344 CD ARG A 24 6.772 -6.526 8.084 1.00 0.00 C ATOM 345 NE ARG A 24 8.162 -6.622 8.537 1.00 0.00 N ATOM 346 CZ ARG A 24 8.533 -6.877 9.790 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.629 -7.188 10.710 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.820 -6.831 10.115 1.00 0.00 N ATOM 0 H ARG A 24 9.630 -4.784 4.776 1.00 0.00 H new ATOM 0 HA ARG A 24 6.904 -4.238 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.961 -6.460 4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.752 -6.215 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.737 -6.176 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.607 -7.696 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.349 -5.574 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.181 -7.312 8.554 1.00 0.00 H new ATOM 0 HE ARG A 24 8.897 -6.484 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.641 -7.233 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.922 -7.382 11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.517 -6.601 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.111 -7.025 11.073 1.00 0.00 H new ATOM 362 N ARG A 25 8.645 -3.583 7.740 1.00 0.00 N ATOM 363 CA ARG A 25 8.580 -2.920 9.031 1.00 0.00 C ATOM 364 C ARG A 25 8.376 -1.425 8.856 1.00 0.00 C ATOM 365 O ARG A 25 7.545 -0.828 9.525 1.00 0.00 O ATOM 366 CB ARG A 25 9.852 -3.152 9.843 1.00 0.00 C ATOM 367 CG ARG A 25 9.820 -2.425 11.171 1.00 0.00 C ATOM 368 CD ARG A 25 11.198 -2.252 11.771 1.00 0.00 C ATOM 369 NE ARG A 25 11.159 -1.324 12.896 1.00 0.00 N ATOM 370 CZ ARG A 25 12.232 -0.913 13.564 1.00 0.00 C ATOM 371 NH1 ARG A 25 13.442 -1.287 13.172 1.00 0.00 N ATOM 372 NH2 ARG A 25 12.090 -0.101 14.602 1.00 0.00 N ATOM 0 H ARG A 25 9.576 -3.908 7.478 1.00 0.00 H new ATOM 0 HA ARG A 25 7.734 -3.348 9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.980 -4.220 10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.715 -2.817 9.268 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.361 -1.446 11.034 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.190 -2.977 11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.579 -3.218 12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.887 -1.882 11.012 1.00 0.00 H new ATOM 0 HE ARG A 25 10.249 -0.967 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.550 -1.891 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.265 -0.971 13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.160 0.206 14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.911 0.217 15.117 1.00 0.00 H new ATOM 386 N ARG A 26 9.140 -0.832 7.951 1.00 0.00 N ATOM 387 CA ARG A 26 9.079 0.607 7.715 1.00 0.00 C ATOM 388 C ARG A 26 7.677 1.034 7.299 1.00 0.00 C ATOM 389 O ARG A 26 7.237 2.139 7.615 1.00 0.00 O ATOM 390 CB ARG A 26 10.103 1.016 6.657 1.00 0.00 C ATOM 391 CG ARG A 26 11.540 0.803 7.102 1.00 0.00 C ATOM 392 CD ARG A 26 12.528 1.099 5.988 1.00 0.00 C ATOM 393 NE ARG A 26 13.895 0.766 6.383 1.00 0.00 N ATOM 394 CZ ARG A 26 14.864 0.449 5.524 1.00 0.00 C ATOM 395 NH1 ARG A 26 14.629 0.454 4.216 1.00 0.00 N ATOM 396 NH2 ARG A 26 16.068 0.118 5.974 1.00 0.00 N ATOM 0 H ARG A 26 9.813 -1.325 7.365 1.00 0.00 H new ATOM 0 HA ARG A 26 9.321 1.116 8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.923 0.445 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.958 2.067 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.754 1.444 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.668 -0.227 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.256 0.531 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.472 2.154 5.721 1.00 0.00 H new ATOM 0 HE ARG A 26 14.122 0.777 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.704 0.701 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.374 0.211 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.252 0.106 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.809 -0.125 5.317 1.00 0.00 H new ATOM 410 N LEU A 27 6.978 0.154 6.598 1.00 0.00 N ATOM 411 CA LEU A 27 5.592 0.400 6.242 1.00 0.00 C ATOM 412 C LEU A 27 4.720 0.361 7.489 1.00 0.00 C ATOM 413 O LEU A 27 3.896 1.254 7.715 1.00 0.00 O ATOM 414 CB LEU A 27 5.102 -0.634 5.222 1.00 0.00 C ATOM 415 CG LEU A 27 5.818 -0.608 3.870 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.271 -1.694 2.954 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.671 0.759 3.220 1.00 0.00 C ATOM 0 H LEU A 27 7.349 -0.736 6.265 1.00 0.00 H new ATOM 0 HA LEU A 27 5.521 1.389 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.214 -1.628 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.037 -0.477 5.054 1.00 0.00 H new ATOM 0 HG LEU A 27 6.878 -0.801 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.792 -1.660 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.423 -2.670 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.205 -1.531 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.185 0.762 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.614 0.977 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.108 1.519 3.868 1.00 0.00 H new ATOM 429 N MET A 28 4.933 -0.656 8.320 1.00 0.00 N ATOM 430 CA MET A 28 4.156 -0.816 9.545 1.00 0.00 C ATOM 431 C MET A 28 4.439 0.319 10.521 1.00 0.00 C ATOM 432 O MET A 28 3.526 0.822 11.175 1.00 0.00 O ATOM 433 CB MET A 28 4.445 -2.159 10.220 1.00 0.00 C ATOM 434 CG MET A 28 4.046 -3.369 9.391 1.00 0.00 C ATOM 435 SD MET A 28 3.904 -4.873 10.384 1.00 0.00 S ATOM 436 CE MET A 28 5.380 -4.747 11.389 1.00 0.00 C ATOM 0 H MET A 28 5.635 -1.380 8.168 1.00 0.00 H new ATOM 0 HA MET A 28 3.103 -0.790 9.264 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.510 -2.220 10.443 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.918 -2.195 11.173 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.093 -3.171 8.900 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.784 -3.525 8.604 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.594 -5.714 11.845 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.221 -4.447 10.764 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.225 -4.004 12.171 1.00 0.00 H new ATOM 446 N ASP A 29 5.701 0.722 10.599 1.00 0.00 N ATOM 447 CA ASP A 29 6.118 1.809 11.482 1.00 0.00 C ATOM 448 C ASP A 29 5.465 3.127 11.085 1.00 0.00 C ATOM 449 O ASP A 29 5.279 4.011 11.923 1.00 0.00 O ATOM 450 CB ASP A 29 7.642 1.963 11.480 1.00 0.00 C ATOM 451 CG ASP A 29 8.296 1.333 12.696 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.390 2.011 13.739 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.719 0.164 12.618 1.00 0.00 O ATOM 0 H ASP A 29 6.461 0.310 10.057 1.00 0.00 H new ATOM 0 HA ASP A 29 5.791 1.551 12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.048 1.507 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.896 3.022 11.444 1.00 0.00 H new ATOM 458 N LEU A 30 5.128 3.273 9.809 1.00 0.00 N ATOM 459 CA LEU A 30 4.395 4.444 9.364 1.00 0.00 C ATOM 460 C LEU A 30 2.931 4.317 9.758 1.00 0.00 C ATOM 461 O LEU A 30 2.333 5.257 10.282 1.00 0.00 O ATOM 462 CB LEU A 30 4.520 4.622 7.849 1.00 0.00 C ATOM 463 CG LEU A 30 5.924 4.957 7.342 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.919 5.100 5.829 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.441 6.230 7.997 1.00 0.00 C ATOM 0 H LEU A 30 5.349 2.601 9.074 1.00 0.00 H new ATOM 0 HA LEU A 30 4.822 5.324 9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.186 3.705 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.840 5.414 7.536 1.00 0.00 H new ATOM 0 HG LEU A 30 6.592 4.139 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.925 5.338 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.592 4.164 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.237 5.900 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.441 6.451 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.773 7.058 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.480 6.093 9.078 1.00 0.00 H new ATOM 477 N GLY A 31 2.370 3.139 9.523 1.00 0.00 N ATOM 478 CA GLY A 31 0.969 2.907 9.822 1.00 0.00 C ATOM 479 C GLY A 31 0.353 1.853 8.924 1.00 0.00 C ATOM 480 O GLY A 31 -0.830 1.538 9.045 1.00 0.00 O ATOM 0 H GLY A 31 2.861 2.336 9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.869 2.598 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.418 3.841 9.713 1.00 0.00 H new ATOM 484 N LEU A 32 1.152 1.306 8.018 1.00 0.00 N ATOM 485 CA LEU A 32 0.680 0.258 7.126 1.00 0.00 C ATOM 486 C LEU A 32 0.938 -1.099 7.764 1.00 0.00 C ATOM 487 O LEU A 32 1.965 -1.730 7.523 1.00 0.00 O ATOM 488 CB LEU A 32 1.370 0.359 5.755 1.00 0.00 C ATOM 489 CG LEU A 32 0.650 -0.324 4.577 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.284 0.101 3.262 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.682 -1.843 4.698 1.00 0.00 C ATOM 0 H LEU A 32 2.128 1.570 7.882 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.391 0.378 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.497 1.414 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.368 -0.071 5.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.393 -0.009 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.768 -0.387 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.204 1.182 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.335 -0.187 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.164 -2.287 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.717 -2.185 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.188 -2.145 5.622 1.00 0.00 H new ATOM 503 N VAL A 33 0.024 -1.514 8.620 1.00 0.00 N ATOM 504 CA VAL A 33 0.111 -2.821 9.244 1.00 0.00 C ATOM 505 C VAL A 33 -0.938 -3.744 8.647 1.00 0.00 C ATOM 506 O VAL A 33 -1.787 -3.303 7.870 1.00 0.00 O ATOM 507 CB VAL A 33 -0.081 -2.744 10.774 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.045 -1.952 11.417 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.429 -2.130 11.124 1.00 0.00 C ATOM 0 H VAL A 33 -0.788 -0.964 8.900 1.00 0.00 H new ATOM 0 HA VAL A 33 1.110 -3.213 9.052 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.058 -3.761 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.891 -1.910 12.495 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.998 -2.437 11.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.055 -0.940 11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.539 -2.087 12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.487 -1.122 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.227 -2.740 10.702 1.00 0.00 H new ATOM 519 N ARG A 34 -0.886 -5.016 8.999 1.00 0.00 N ATOM 520 CA ARG A 34 -1.862 -5.965 8.499 1.00 0.00 C ATOM 521 C ARG A 34 -3.215 -5.694 9.143 1.00 0.00 C ATOM 522 O ARG A 34 -3.340 -5.705 10.369 1.00 0.00 O ATOM 523 CB ARG A 34 -1.412 -7.406 8.758 1.00 0.00 C ATOM 524 CG ARG A 34 -2.315 -8.439 8.108 1.00 0.00 C ATOM 525 CD ARG A 34 -1.623 -9.781 7.948 1.00 0.00 C ATOM 526 NE ARG A 34 -1.519 -10.535 9.195 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.069 -11.737 9.370 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.871 -12.238 8.434 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.843 -12.424 10.480 1.00 0.00 N ATOM 0 H ARG A 34 -0.184 -5.413 9.624 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.952 -5.840 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.396 -7.535 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.383 -7.583 9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.214 -8.565 8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.634 -8.077 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.168 -10.377 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.623 -9.620 7.546 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.000 -10.122 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.063 -11.703 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.294 -13.157 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.245 -12.034 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.267 -13.343 10.606 1.00 0.00 H new ATOM 543 N GLY A 35 -4.213 -5.426 8.314 1.00 0.00 N ATOM 544 CA GLY A 35 -5.527 -5.082 8.819 1.00 0.00 C ATOM 545 C GLY A 35 -5.835 -3.604 8.667 1.00 0.00 C ATOM 546 O GLY A 35 -6.939 -3.161 8.974 1.00 0.00 O ATOM 0 H GLY A 35 -4.136 -5.441 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.281 -5.664 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.593 -5.358 9.871 1.00 0.00 H new ATOM 550 N ALA A 36 -4.855 -2.835 8.202 1.00 0.00 N ATOM 551 CA ALA A 36 -5.044 -1.407 7.983 1.00 0.00 C ATOM 552 C ALA A 36 -5.872 -1.161 6.724 1.00 0.00 C ATOM 553 O ALA A 36 -5.602 -1.743 5.671 1.00 0.00 O ATOM 554 CB ALA A 36 -3.698 -0.702 7.879 1.00 0.00 C ATOM 0 H ALA A 36 -3.923 -3.178 7.970 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.585 -0.998 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.857 0.364 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.139 -0.848 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.134 -1.117 7.044 1.00 0.00 H new ATOM 560 N LYS A 37 -6.879 -0.305 6.840 1.00 0.00 N ATOM 561 CA LYS A 37 -7.735 0.031 5.705 1.00 0.00 C ATOM 562 C LYS A 37 -7.196 1.269 5.001 1.00 0.00 C ATOM 563 O LYS A 37 -6.935 2.289 5.644 1.00 0.00 O ATOM 564 CB LYS A 37 -9.167 0.294 6.175 1.00 0.00 C ATOM 565 CG LYS A 37 -9.708 -0.772 7.111 1.00 0.00 C ATOM 566 CD LYS A 37 -11.098 -0.416 7.606 1.00 0.00 C ATOM 567 CE LYS A 37 -11.465 -1.199 8.858 1.00 0.00 C ATOM 568 NZ LYS A 37 -11.489 -2.664 8.620 1.00 0.00 N ATOM 0 H LYS A 37 -7.125 0.171 7.708 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.739 -0.810 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.203 1.260 6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.819 0.365 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.738 -1.731 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.035 -0.888 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.147 0.652 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.827 -0.620 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.749 -0.973 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.443 -0.875 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.694 -3.157 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.226 -2.890 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.564 -2.972 8.258 1.00 0.00 H new ATOM 582 N LEU A 38 -7.046 1.196 3.690 1.00 0.00 N ATOM 583 CA LEU A 38 -6.451 2.286 2.937 1.00 0.00 C ATOM 584 C LEU A 38 -7.219 2.555 1.649 1.00 0.00 C ATOM 585 O LEU A 38 -8.026 1.738 1.209 1.00 0.00 O ATOM 586 CB LEU A 38 -4.988 1.972 2.602 1.00 0.00 C ATOM 587 CG LEU A 38 -4.759 0.816 1.622 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.359 0.901 1.034 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.956 -0.529 2.304 1.00 0.00 C ATOM 0 H LEU A 38 -7.328 0.394 3.125 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.497 3.178 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.529 2.870 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.463 1.745 3.530 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.493 0.901 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.206 0.076 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.243 1.847 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.623 0.841 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.787 -1.330 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.249 -0.626 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.973 -0.596 2.689 1.00 0.00 H new ATOM 601 N LYS A 39 -6.960 3.707 1.049 1.00 0.00 N ATOM 602 CA LYS A 39 -7.537 4.041 -0.240 1.00 0.00 C ATOM 603 C LYS A 39 -6.446 4.558 -1.166 1.00 0.00 C ATOM 604 O LYS A 39 -5.631 5.394 -0.766 1.00 0.00 O ATOM 605 CB LYS A 39 -8.630 5.107 -0.105 1.00 0.00 C ATOM 606 CG LYS A 39 -9.534 5.180 -1.326 1.00 0.00 C ATOM 607 CD LYS A 39 -10.208 6.536 -1.465 1.00 0.00 C ATOM 608 CE LYS A 39 -9.245 7.583 -2.008 1.00 0.00 C ATOM 609 NZ LYS A 39 -9.920 8.882 -2.260 1.00 0.00 N ATOM 0 H LYS A 39 -6.351 4.427 1.438 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.987 3.138 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.234 4.892 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.165 6.080 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.948 4.974 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.296 4.403 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.067 6.450 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.587 6.857 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.431 7.729 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.799 7.220 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.229 9.566 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.681 8.749 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.323 9.242 -1.371 1.00 0.00 H new ATOM 623 N VAL A 40 -6.423 4.057 -2.388 1.00 0.00 N ATOM 624 CA VAL A 40 -5.463 4.515 -3.377 1.00 0.00 C ATOM 625 C VAL A 40 -5.847 5.904 -3.866 1.00 0.00 C ATOM 626 O VAL A 40 -7.010 6.160 -4.172 1.00 0.00 O ATOM 627 CB VAL A 40 -5.387 3.546 -4.573 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.417 4.054 -5.627 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.985 2.157 -4.104 1.00 0.00 C ATOM 0 H VAL A 40 -7.059 3.332 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.482 4.551 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.377 3.489 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.383 3.351 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.749 5.028 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.422 4.148 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.936 1.484 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.008 2.204 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.723 1.786 -3.393 1.00 0.00 H new ATOM 639 N LEU A 41 -4.876 6.802 -3.914 1.00 0.00 N ATOM 640 CA LEU A 41 -5.133 8.173 -4.321 1.00 0.00 C ATOM 641 C LEU A 41 -4.848 8.357 -5.804 1.00 0.00 C ATOM 642 O LEU A 41 -5.724 8.768 -6.565 1.00 0.00 O ATOM 643 CB LEU A 41 -4.277 9.144 -3.499 1.00 0.00 C ATOM 644 CG LEU A 41 -4.483 9.077 -1.983 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.511 10.010 -1.275 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.919 9.428 -1.619 1.00 0.00 C ATOM 0 H LEU A 41 -3.904 6.606 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.186 8.389 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.227 8.949 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.488 10.160 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.287 8.056 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.669 9.951 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.488 9.714 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.678 11.033 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.044 9.374 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.144 10.438 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.598 8.723 -2.098 1.00 0.00 H new ATOM 658 N ARG A 42 -3.632 8.028 -6.224 1.00 0.00 N ATOM 659 CA ARG A 42 -3.225 8.251 -7.603 1.00 0.00 C ATOM 660 C ARG A 42 -2.060 7.346 -7.984 1.00 0.00 C ATOM 661 O ARG A 42 -1.307 6.884 -7.124 1.00 0.00 O ATOM 662 CB ARG A 42 -2.820 9.716 -7.791 1.00 0.00 C ATOM 663 CG ARG A 42 -2.548 10.116 -9.232 1.00 0.00 C ATOM 664 CD ARG A 42 -3.802 10.020 -10.083 1.00 0.00 C ATOM 665 NE ARG A 42 -3.547 10.384 -11.474 1.00 0.00 N ATOM 666 CZ ARG A 42 -4.498 10.668 -12.359 1.00 0.00 C ATOM 667 NH1 ARG A 42 -5.775 10.661 -11.991 1.00 0.00 N ATOM 668 NH2 ARG A 42 -4.171 10.972 -13.608 1.00 0.00 N ATOM 0 H ARG A 42 -2.915 7.608 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.069 8.015 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.611 10.352 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.926 9.911 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.165 11.136 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.774 9.472 -9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.193 9.003 -10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.570 10.675 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.577 10.423 -11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.027 10.438 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.503 10.879 -12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.191 10.988 -13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.900 11.190 -14.287 1.00 0.00 H new ATOM 682 N PHE A 43 -1.928 7.110 -9.278 1.00 0.00 N ATOM 683 CA PHE A 43 -0.808 6.363 -9.831 1.00 0.00 C ATOM 684 C PHE A 43 -0.008 7.271 -10.744 1.00 0.00 C ATOM 685 O PHE A 43 -0.583 8.057 -11.496 1.00 0.00 O ATOM 686 CB PHE A 43 -1.283 5.148 -10.632 1.00 0.00 C ATOM 687 CG PHE A 43 -1.809 4.020 -9.798 1.00 0.00 C ATOM 688 CD1 PHE A 43 -0.958 3.024 -9.355 1.00 0.00 C ATOM 689 CD2 PHE A 43 -3.151 3.947 -9.466 1.00 0.00 C ATOM 690 CE1 PHE A 43 -1.433 1.975 -8.593 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.633 2.901 -8.708 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.771 1.914 -8.270 1.00 0.00 C ATOM 0 H PHE A 43 -2.596 7.432 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.194 6.009 -9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.064 5.467 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.454 4.780 -11.236 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.091 3.067 -9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.828 4.718 -9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.758 1.205 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.682 2.853 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.146 1.095 -7.674 1.00 0.00 H new ATOM 702 N ALA A 44 1.309 7.178 -10.670 1.00 0.00 N ATOM 703 CA ALA A 44 2.170 7.939 -11.560 1.00 0.00 C ATOM 704 C ALA A 44 2.037 7.423 -12.994 1.00 0.00 C ATOM 705 O ALA A 44 1.519 6.326 -13.209 1.00 0.00 O ATOM 706 CB ALA A 44 3.609 7.853 -11.079 1.00 0.00 C ATOM 0 H ALA A 44 1.805 6.585 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 44 1.865 8.985 -11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.251 8.425 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.681 8.262 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.929 6.811 -11.072 1.00 0.00 H new ATOM 712 N PRO A 45 2.515 8.196 -13.993 1.00 0.00 N ATOM 713 CA PRO A 45 2.415 7.831 -15.425 1.00 0.00 C ATOM 714 C PRO A 45 3.136 6.525 -15.793 1.00 0.00 C ATOM 715 O PRO A 45 3.215 6.163 -16.966 1.00 0.00 O ATOM 716 CB PRO A 45 3.071 9.017 -16.145 1.00 0.00 C ATOM 717 CG PRO A 45 3.905 9.688 -15.109 1.00 0.00 C ATOM 718 CD PRO A 45 3.165 9.508 -13.819 1.00 0.00 C ATOM 0 HA PRO A 45 1.377 7.649 -15.703 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.680 8.681 -16.984 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.321 9.697 -16.548 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.899 9.243 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.041 10.745 -15.339 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.839 9.515 -12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.436 10.302 -13.657 1.00 0.00 H new ATOM 726 N LEU A 46 3.643 5.816 -14.795 1.00 0.00 N ATOM 727 CA LEU A 46 4.347 4.560 -15.019 1.00 0.00 C ATOM 728 C LEU A 46 3.830 3.490 -14.064 1.00 0.00 C ATOM 729 O LEU A 46 4.428 2.422 -13.938 1.00 0.00 O ATOM 730 CB LEU A 46 5.855 4.741 -14.799 1.00 0.00 C ATOM 731 CG LEU A 46 6.572 5.656 -15.791 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.018 5.863 -15.368 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.511 5.068 -17.190 1.00 0.00 C ATOM 0 H LEU A 46 3.580 6.091 -13.815 1.00 0.00 H new ATOM 0 HA LEU A 46 4.168 4.250 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.011 5.134 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.327 3.759 -14.834 1.00 0.00 H new ATOM 0 HG LEU A 46 6.069 6.623 -15.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.516 6.517 -16.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.046 6.320 -14.379 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.530 4.901 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.026 5.731 -17.886 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.993 4.091 -17.195 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.470 4.960 -17.494 1.00 0.00 H new ATOM 745 N GLY A 47 2.715 3.780 -13.395 1.00 0.00 N ATOM 746 CA GLY A 47 2.196 2.874 -12.382 1.00 0.00 C ATOM 747 C GLY A 47 3.126 2.809 -11.188 1.00 0.00 C ATOM 748 O GLY A 47 3.082 1.873 -10.392 1.00 0.00 O ATOM 0 H GLY A 47 2.162 4.626 -13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.209 3.207 -12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.074 1.878 -12.807 1.00 0.00 H new ATOM 752 N ASP A 48 3.967 3.831 -11.083 1.00 0.00 N ATOM 753 CA ASP A 48 5.018 3.903 -10.078 1.00 0.00 C ATOM 754 C ASP A 48 5.667 5.278 -10.134 1.00 0.00 C ATOM 755 O ASP A 48 6.035 5.745 -11.215 1.00 0.00 O ATOM 756 CB ASP A 48 6.071 2.816 -10.327 1.00 0.00 C ATOM 757 CG ASP A 48 7.269 2.928 -9.400 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.224 2.371 -8.287 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.269 3.560 -9.793 1.00 0.00 O ATOM 0 H ASP A 48 3.937 4.642 -11.701 1.00 0.00 H new ATOM 0 HA ASP A 48 4.584 3.742 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.611 1.836 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.411 2.877 -11.361 1.00 0.00 H new ATOM 764 N PRO A 49 5.782 5.964 -8.987 1.00 0.00 N ATOM 765 CA PRO A 49 5.311 5.456 -7.693 1.00 0.00 C ATOM 766 C PRO A 49 3.795 5.557 -7.523 1.00 0.00 C ATOM 767 O PRO A 49 3.083 6.038 -8.409 1.00 0.00 O ATOM 768 CB PRO A 49 6.011 6.368 -6.693 1.00 0.00 C ATOM 769 CG PRO A 49 6.190 7.656 -7.417 1.00 0.00 C ATOM 770 CD PRO A 49 6.399 7.297 -8.863 1.00 0.00 C ATOM 0 HA PRO A 49 5.533 4.396 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.413 6.500 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.969 5.952 -6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.315 8.295 -7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.044 8.208 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.926 8.020 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.458 7.273 -9.120 1.00 0.00 H new ATOM 778 N ILE A 50 3.312 5.114 -6.367 1.00 0.00 N ATOM 779 CA ILE A 50 1.887 5.091 -6.079 1.00 0.00 C ATOM 780 C ILE A 50 1.582 5.930 -4.841 1.00 0.00 C ATOM 781 O ILE A 50 2.289 5.850 -3.833 1.00 0.00 O ATOM 782 CB ILE A 50 1.396 3.644 -5.841 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.814 2.741 -7.007 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.115 3.610 -5.652 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.504 1.276 -6.787 1.00 0.00 C ATOM 0 H ILE A 50 3.896 4.763 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 50 1.367 5.507 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 50 1.860 3.270 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.310 3.077 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.885 2.855 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.438 2.582 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.388 4.220 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.602 4.004 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.829 0.701 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.029 0.922 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.430 1.148 -6.648 1.00 0.00 H new ATOM 797 N GLU A 51 0.537 6.740 -4.926 1.00 0.00 N ATOM 798 CA GLU A 51 0.100 7.552 -3.801 1.00 0.00 C ATOM 799 C GLU A 51 -1.115 6.911 -3.151 1.00 0.00 C ATOM 800 O GLU A 51 -2.151 6.739 -3.796 1.00 0.00 O ATOM 801 CB GLU A 51 -0.251 8.967 -4.262 1.00 0.00 C ATOM 802 CG GLU A 51 0.909 9.710 -4.898 1.00 0.00 C ATOM 803 CD GLU A 51 0.514 11.095 -5.359 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.071 11.234 -6.519 1.00 0.00 O ATOM 805 OE2 GLU A 51 0.635 12.048 -4.565 1.00 0.00 O ATOM 0 H GLU A 51 -0.027 6.852 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 51 0.914 7.613 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.071 8.913 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.611 9.539 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.726 9.787 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.283 9.139 -5.748 1.00 0.00 H new ATOM 812 N VAL A 52 -0.990 6.539 -1.887 1.00 0.00 N ATOM 813 CA VAL A 52 -2.092 5.907 -1.173 1.00 0.00 C ATOM 814 C VAL A 52 -2.312 6.552 0.189 1.00 0.00 C ATOM 815 O VAL A 52 -1.377 7.067 0.808 1.00 0.00 O ATOM 816 CB VAL A 52 -1.861 4.387 -0.977 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.871 3.655 -2.311 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.555 4.127 -0.241 1.00 0.00 C ATOM 0 H VAL A 52 -0.141 6.662 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.978 6.051 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.681 4.003 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.707 2.591 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.835 3.801 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.079 4.048 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.416 3.053 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.275 4.536 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.588 4.605 0.738 1.00 0.00 H new ATOM 828 N ASN A 53 -3.557 6.546 0.636 1.00 0.00 N ATOM 829 CA ASN A 53 -3.882 6.968 1.986 1.00 0.00 C ATOM 830 C ASN A 53 -4.132 5.728 2.825 1.00 0.00 C ATOM 831 O ASN A 53 -5.198 5.120 2.750 1.00 0.00 O ATOM 832 CB ASN A 53 -5.114 7.885 1.996 1.00 0.00 C ATOM 833 CG ASN A 53 -5.449 8.436 3.379 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.196 7.805 4.405 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.024 9.627 3.411 1.00 0.00 N ATOM 0 H ASN A 53 -4.361 6.252 0.081 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.051 7.539 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.944 8.717 1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.973 7.331 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.272 10.050 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.219 10.122 2.541 1.00 0.00 H new ATOM 842 N CYS A 54 -3.138 5.348 3.606 1.00 0.00 N ATOM 843 CA CYS A 54 -3.211 4.124 4.371 1.00 0.00 C ATOM 844 C CYS A 54 -3.548 4.403 5.823 1.00 0.00 C ATOM 845 O CYS A 54 -2.719 4.924 6.572 1.00 0.00 O ATOM 846 CB CYS A 54 -1.892 3.356 4.285 1.00 0.00 C ATOM 847 SG CYS A 54 -1.904 1.783 5.174 1.00 0.00 S ATOM 0 H CYS A 54 -2.271 5.872 3.725 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.007 3.515 3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.659 3.168 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.092 3.981 4.682 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.203 0.822 4.351 1.00 0.00 H new ATOM 853 N ASN A 55 -4.781 4.078 6.194 1.00 0.00 N ATOM 854 CA ASN A 55 -5.215 4.100 7.587 1.00 0.00 C ATOM 855 C ASN A 55 -5.154 5.512 8.171 1.00 0.00 C ATOM 856 O ASN A 55 -4.950 5.695 9.374 1.00 0.00 O ATOM 857 CB ASN A 55 -4.356 3.123 8.402 1.00 0.00 C ATOM 858 CG ASN A 55 -5.023 2.666 9.682 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.241 2.762 9.835 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.237 2.118 10.590 1.00 0.00 N ATOM 0 H ASN A 55 -5.508 3.792 5.538 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.257 3.784 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.127 2.252 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.407 3.600 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.634 1.755 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.232 2.057 10.425 1.00 0.00 H new ATOM 867 N GLY A 56 -5.371 6.506 7.317 1.00 0.00 N ATOM 868 CA GLY A 56 -5.372 7.888 7.760 1.00 0.00 C ATOM 869 C GLY A 56 -4.034 8.564 7.554 1.00 0.00 C ATOM 870 O GLY A 56 -3.727 9.563 8.202 1.00 0.00 O ATOM 0 H GLY A 56 -5.547 6.378 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.141 8.439 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.636 7.927 8.817 1.00 0.00 H new ATOM 874 N MET A 57 -3.243 8.025 6.642 1.00 0.00 N ATOM 875 CA MET A 57 -1.920 8.554 6.359 1.00 0.00 C ATOM 876 C MET A 57 -1.661 8.568 4.864 1.00 0.00 C ATOM 877 O MET A 57 -1.870 7.574 4.185 1.00 0.00 O ATOM 878 CB MET A 57 -0.862 7.722 7.082 1.00 0.00 C ATOM 879 CG MET A 57 0.563 8.185 6.834 1.00 0.00 C ATOM 880 SD MET A 57 1.768 7.151 7.681 1.00 0.00 S ATOM 881 CE MET A 57 1.207 5.526 7.173 1.00 0.00 C ATOM 0 H MET A 57 -3.498 7.213 6.080 1.00 0.00 H new ATOM 0 HA MET A 57 -1.866 9.581 6.721 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.061 7.751 8.153 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.955 6.682 6.768 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.766 8.174 5.763 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.672 9.217 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.822 4.987 8.039 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.417 5.630 6.430 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.040 4.972 6.741 1.00 0.00 H new ATOM 891 N LEU A 58 -1.226 9.707 4.351 1.00 0.00 N ATOM 892 CA LEU A 58 -0.915 9.831 2.939 1.00 0.00 C ATOM 893 C LEU A 58 0.573 9.616 2.720 1.00 0.00 C ATOM 894 O LEU A 58 1.397 10.439 3.127 1.00 0.00 O ATOM 895 CB LEU A 58 -1.340 11.199 2.390 1.00 0.00 C ATOM 896 CG LEU A 58 -2.848 11.485 2.407 1.00 0.00 C ATOM 897 CD1 LEU A 58 -3.323 11.869 3.802 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.188 12.576 1.406 1.00 0.00 C ATOM 0 H LEU A 58 -1.081 10.559 4.893 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.475 9.068 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.836 11.974 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.984 11.284 1.363 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.369 10.571 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.395 12.065 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.118 11.052 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.797 12.765 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.261 12.769 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.650 13.488 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.898 12.255 0.406 1.00 0.00 H new ATOM 910 N LEU A 59 0.916 8.501 2.096 1.00 0.00 N ATOM 911 CA LEU A 59 2.308 8.156 1.866 1.00 0.00 C ATOM 912 C LEU A 59 2.515 7.671 0.439 1.00 0.00 C ATOM 913 O LEU A 59 1.726 6.885 -0.090 1.00 0.00 O ATOM 914 CB LEU A 59 2.822 7.114 2.886 1.00 0.00 C ATOM 915 CG LEU A 59 1.978 5.844 3.099 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.788 4.802 3.866 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.705 6.165 3.870 1.00 0.00 C ATOM 0 H LEU A 59 0.247 7.818 1.739 1.00 0.00 H new ATOM 0 HA LEU A 59 2.896 9.062 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.820 6.805 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.928 7.612 3.850 1.00 0.00 H new ATOM 0 HG LEU A 59 1.705 5.447 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.184 3.907 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.683 4.547 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.077 5.207 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.124 5.253 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.964 6.582 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.114 6.890 3.311 1.00 0.00 H new ATOM 929 N THR A 60 3.563 8.180 -0.191 1.00 0.00 N ATOM 930 CA THR A 60 3.898 7.807 -1.551 1.00 0.00 C ATOM 931 C THR A 60 5.054 6.814 -1.554 1.00 0.00 C ATOM 932 O THR A 60 6.142 7.106 -1.049 1.00 0.00 O ATOM 933 CB THR A 60 4.284 9.042 -2.383 1.00 0.00 C ATOM 934 OG1 THR A 60 3.252 10.031 -2.278 1.00 0.00 O ATOM 935 CG2 THR A 60 4.490 8.669 -3.844 1.00 0.00 C ATOM 0 H THR A 60 4.200 8.859 0.226 1.00 0.00 H new ATOM 0 HA THR A 60 3.018 7.345 -1.998 1.00 0.00 H new ATOM 0 HB THR A 60 5.220 9.443 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.499 10.819 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.762 9.559 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.288 7.931 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.568 8.250 -4.246 1.00 0.00 H new ATOM 943 N MET A 61 4.811 5.646 -2.115 1.00 0.00 N ATOM 944 CA MET A 61 5.817 4.598 -2.159 1.00 0.00 C ATOM 945 C MET A 61 5.843 3.953 -3.532 1.00 0.00 C ATOM 946 O MET A 61 5.064 4.321 -4.411 1.00 0.00 O ATOM 947 CB MET A 61 5.553 3.553 -1.073 1.00 0.00 C ATOM 948 CG MET A 61 4.135 3.011 -1.086 1.00 0.00 C ATOM 949 SD MET A 61 3.866 1.738 0.155 1.00 0.00 S ATOM 950 CE MET A 61 2.160 1.326 -0.175 1.00 0.00 C ATOM 0 H MET A 61 3.922 5.396 -2.549 1.00 0.00 H new ATOM 0 HA MET A 61 6.793 5.044 -1.969 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.251 2.725 -1.199 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.756 3.995 -0.098 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.436 3.830 -0.917 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.916 2.603 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.965 0.302 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.509 2.006 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.964 1.418 -1.243 1.00 0.00 H new ATOM 960 N ARG A 62 6.723 2.988 -3.711 1.00 0.00 N ATOM 961 CA ARG A 62 6.971 2.434 -5.026 1.00 0.00 C ATOM 962 C ARG A 62 6.080 1.227 -5.294 1.00 0.00 C ATOM 963 O ARG A 62 5.561 0.601 -4.366 1.00 0.00 O ATOM 964 CB ARG A 62 8.438 2.036 -5.158 1.00 0.00 C ATOM 965 CG ARG A 62 9.423 3.120 -4.754 1.00 0.00 C ATOM 966 CD ARG A 62 9.219 4.407 -5.533 1.00 0.00 C ATOM 967 NE ARG A 62 10.498 5.016 -5.892 1.00 0.00 N ATOM 968 CZ ARG A 62 10.633 6.193 -6.500 1.00 0.00 C ATOM 969 NH1 ARG A 62 9.585 6.985 -6.682 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.833 6.590 -6.889 1.00 0.00 N ATOM 0 H ARG A 62 7.278 2.572 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 62 6.736 3.201 -5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.618 1.152 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.633 1.753 -6.192 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.318 3.323 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.440 2.760 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.645 4.201 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.634 5.107 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 62 11.348 4.503 -5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.663 6.695 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.700 7.884 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.645 5.996 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.946 7.490 -7.356 1.00 0.00 H new ATOM 984 N ARG A 63 5.915 0.899 -6.568 1.00 0.00 N ATOM 985 CA ARG A 63 5.065 -0.211 -6.970 1.00 0.00 C ATOM 986 C ARG A 63 5.622 -1.544 -6.483 1.00 0.00 C ATOM 987 O ARG A 63 4.859 -2.435 -6.130 1.00 0.00 O ATOM 988 CB ARG A 63 4.891 -0.261 -8.488 1.00 0.00 C ATOM 989 CG ARG A 63 3.996 -1.407 -8.930 1.00 0.00 C ATOM 990 CD ARG A 63 3.874 -1.507 -10.438 1.00 0.00 C ATOM 991 NE ARG A 63 3.070 -2.664 -10.822 1.00 0.00 N ATOM 992 CZ ARG A 63 2.567 -2.864 -12.034 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.827 -2.019 -13.022 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.815 -3.930 -12.260 1.00 0.00 N ATOM 0 H ARG A 63 6.361 1.389 -7.343 1.00 0.00 H new ATOM 0 HA ARG A 63 4.092 -0.043 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.467 0.682 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.868 -0.364 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.393 -2.344 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.004 -1.276 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.420 -0.597 -10.831 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.866 -1.585 -10.882 1.00 0.00 H new ATOM 0 HE ARG A 63 2.882 -3.368 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.419 -1.205 -12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.435 -2.183 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.626 -4.590 -11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.425 -4.091 -13.188 1.00 0.00 H new ATOM 1008 N ASN A 64 6.947 -1.681 -6.457 1.00 0.00 N ATOM 1009 CA ASN A 64 7.574 -2.936 -6.028 1.00 0.00 C ATOM 1010 C ASN A 64 7.142 -3.292 -4.610 1.00 0.00 C ATOM 1011 O ASN A 64 7.062 -4.467 -4.244 1.00 0.00 O ATOM 1012 CB ASN A 64 9.109 -2.865 -6.110 1.00 0.00 C ATOM 1013 CG ASN A 64 9.734 -1.988 -5.042 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.048 -2.453 -3.943 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.935 -0.722 -5.361 1.00 0.00 N ATOM 0 H ASN A 64 7.604 -0.948 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 64 7.239 -3.717 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.516 -3.873 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.395 -2.487 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.365 -0.088 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.660 -0.378 -6.281 1.00 0.00 H new ATOM 1022 N GLU A 65 6.864 -2.267 -3.820 1.00 0.00 N ATOM 1023 CA GLU A 65 6.367 -2.449 -2.470 1.00 0.00 C ATOM 1024 C GLU A 65 4.893 -2.854 -2.504 1.00 0.00 C ATOM 1025 O GLU A 65 4.472 -3.768 -1.797 1.00 0.00 O ATOM 1026 CB GLU A 65 6.570 -1.155 -1.674 1.00 0.00 C ATOM 1027 CG GLU A 65 8.041 -0.779 -1.514 1.00 0.00 C ATOM 1028 CD GLU A 65 8.258 0.652 -1.059 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.315 0.897 0.162 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.415 1.536 -1.930 1.00 0.00 O ATOM 0 H GLU A 65 6.976 -1.292 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 65 6.921 -3.248 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.045 -0.341 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.120 -1.267 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.503 -1.454 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.551 -0.930 -2.465 1.00 0.00 H new ATOM 1037 N ALA A 66 4.127 -2.191 -3.367 1.00 0.00 N ATOM 1038 CA ALA A 66 2.690 -2.441 -3.487 1.00 0.00 C ATOM 1039 C ALA A 66 2.395 -3.812 -4.102 1.00 0.00 C ATOM 1040 O ALA A 66 1.411 -4.454 -3.744 1.00 0.00 O ATOM 1041 CB ALA A 66 2.036 -1.343 -4.311 1.00 0.00 C ATOM 0 H ALA A 66 4.479 -1.471 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 66 2.271 -2.438 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.967 -1.538 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.192 -0.381 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.480 -1.322 -5.306 1.00 0.00 H new ATOM 1047 N GLU A 67 3.236 -4.233 -5.045 1.00 0.00 N ATOM 1048 CA GLU A 67 3.154 -5.579 -5.626 1.00 0.00 C ATOM 1049 C GLU A 67 3.204 -6.642 -4.533 1.00 0.00 C ATOM 1050 O GLU A 67 2.459 -7.617 -4.560 1.00 0.00 O ATOM 1051 CB GLU A 67 4.312 -5.813 -6.601 1.00 0.00 C ATOM 1052 CG GLU A 67 4.255 -4.968 -7.864 1.00 0.00 C ATOM 1053 CD GLU A 67 3.262 -5.489 -8.884 1.00 0.00 C ATOM 1054 OE1 GLU A 67 3.417 -6.642 -9.335 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.348 -4.734 -9.269 1.00 0.00 O ATOM 0 H GLU A 67 3.988 -3.660 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 67 2.207 -5.654 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.251 -5.610 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.325 -6.866 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.990 -3.945 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.246 -4.933 -8.316 1.00 0.00 H new ATOM 1062 N GLY A 68 4.110 -6.450 -3.584 1.00 0.00 N ATOM 1063 CA GLY A 68 4.227 -7.365 -2.469 1.00 0.00 C ATOM 1064 C GLY A 68 3.016 -7.324 -1.559 1.00 0.00 C ATOM 1065 O GLY A 68 2.684 -8.309 -0.904 1.00 0.00 O ATOM 0 H GLY A 68 4.769 -5.672 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.360 -8.379 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.119 -7.120 -1.893 1.00 0.00 H new ATOM 1069 N ILE A 69 2.361 -6.179 -1.511 1.00 0.00 N ATOM 1070 CA ILE A 69 1.221 -5.994 -0.636 1.00 0.00 C ATOM 1071 C ILE A 69 -0.039 -6.590 -1.246 1.00 0.00 C ATOM 1072 O ILE A 69 -0.467 -6.203 -2.332 1.00 0.00 O ATOM 1073 CB ILE A 69 0.986 -4.505 -0.329 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.236 -3.899 0.303 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.220 -4.329 0.589 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.165 -2.402 0.450 1.00 0.00 C ATOM 0 H ILE A 69 2.601 -5.361 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 69 1.446 -6.513 0.296 1.00 0.00 H new ATOM 0 HB ILE A 69 0.778 -3.984 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.391 -4.346 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.103 -4.156 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.369 -3.269 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.108 -4.734 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.045 -4.859 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.085 -2.037 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.040 -1.945 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.318 -2.138 1.083 1.00 0.00 H new ATOM 1088 N THR A 70 -0.616 -7.537 -0.540 1.00 0.00 N ATOM 1089 CA THR A 70 -1.871 -8.129 -0.933 1.00 0.00 C ATOM 1090 C THR A 70 -3.006 -7.446 -0.175 1.00 0.00 C ATOM 1091 O THR A 70 -2.944 -7.299 1.048 1.00 0.00 O ATOM 1092 CB THR A 70 -1.865 -9.641 -0.645 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.768 -10.255 -1.338 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.169 -10.295 -1.076 1.00 0.00 C ATOM 0 H THR A 70 -0.227 -7.917 0.323 1.00 0.00 H new ATOM 0 HA THR A 70 -2.017 -7.990 -2.004 1.00 0.00 H new ATOM 0 HB THR A 70 -1.756 -9.782 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.762 -11.218 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.130 -11.362 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.999 -9.844 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.313 -10.148 -2.146 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.016 -6.999 -0.901 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.128 -6.279 -0.304 1.00 0.00 C ATOM 1104 C VAL A 71 -6.461 -6.901 -0.699 1.00 0.00 C ATOM 1105 O VAL A 71 -6.533 -7.726 -1.613 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.135 -4.791 -0.719 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.875 -4.086 -0.237 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.287 -4.653 -2.229 1.00 0.00 C ATOM 0 H VAL A 71 -4.089 -7.123 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.996 -6.347 0.776 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.992 -4.312 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.904 -3.040 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.818 -4.146 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.000 -4.567 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.290 -3.597 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.455 -5.153 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.225 -5.110 -2.544 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.506 -6.505 0.007 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.864 -6.896 -0.330 1.00 0.00 C ATOM 1120 C HIS A 72 -9.732 -5.648 -0.414 1.00 0.00 C ATOM 1121 O HIS A 72 -9.747 -4.838 0.514 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.416 -7.873 0.715 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.825 -8.316 0.451 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.109 -9.294 -0.471 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.981 -7.890 1.012 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.422 -9.440 -0.449 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.994 -8.612 0.434 1.00 0.00 N ATOM 0 H HIS A 72 -7.437 -5.904 0.829 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.869 -7.404 -1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.771 -8.751 0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.372 -7.402 1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.086 -7.128 1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.966 -10.140 -1.066 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.990 -8.533 0.638 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.425 -5.484 -1.531 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.256 -4.309 -1.754 1.00 0.00 C ATOM 1137 C ILE A 73 -12.427 -4.273 -0.779 1.00 0.00 C ATOM 1138 O ILE A 73 -13.126 -5.269 -0.592 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.783 -4.256 -3.205 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.611 -4.134 -4.183 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.760 -3.098 -3.389 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.036 -4.012 -5.632 1.00 0.00 C ATOM 0 H ILE A 73 -10.428 -6.153 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.627 -3.435 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.320 -5.182 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.014 -3.262 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.967 -5.007 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.116 -3.083 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.606 -3.225 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.256 -2.158 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.152 -3.930 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.607 -4.895 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.655 -3.123 -5.756 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.631 -3.119 -0.162 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.689 -2.955 0.823 1.00 0.00 C ATOM 1156 C LEU A 74 -15.026 -2.704 0.140 1.00 0.00 C ATOM 1157 O LEU A 74 -15.481 -1.565 0.023 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.353 -1.813 1.786 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.040 -1.982 2.554 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.826 -0.821 3.511 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.027 -3.304 3.307 1.00 0.00 C ATOM 0 H LEU A 74 -12.076 -2.280 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.768 -3.878 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.309 -0.882 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.167 -1.712 2.504 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.221 -1.988 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.887 -0.960 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.788 0.112 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.649 -0.781 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.086 -3.406 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.856 -3.328 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.131 -4.127 2.600 1.00 0.00 H new