USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 MET CE :methyl -162:sc= -1.66 (180deg=-2.72!) USER MOD Set 1.2: A 61 MET CE :methyl -115:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 GLN : amide:sc= -3.66! C(o=-10!,f=-11!) USER MOD Set 2.2: A 55 MET CE :methyl -111:sc= -6.84! (180deg=-11.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.837 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc=-0.000679 (180deg=-0.193) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -135:sc= -0.734 (180deg=-4.75!) USER MOD Single : A 35 GLN : amide:sc= -0.738 X(o=-0.74,f=-0.95) USER MOD Single : A 37 THR OG1 : rot -94:sc= -1.38! USER MOD Single : A 44 ASN : amide:sc= -3.84! C(o=-3.8!,f=-6.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.19! C(o=-3.2!,f=-10!) USER MOD Single : A 54 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=0) USER MOD Single : A 56 SER OG : rot 138:sc= -0.945 USER MOD Single : A 59 GLN : amide:sc=-0.000548 X(o=-0.00055,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -13.3! C(o=-13!,f=-15!) USER MOD Single : A 72 THR OG1 : rot -93:sc= 0.158 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 44:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.807 3.530 7.038 1.00 0.00 N ATOM 2 CA GLY A 1 -47.494 4.144 6.930 1.00 0.00 C ATOM 3 C GLY A 1 -46.742 4.068 8.260 1.00 0.00 C ATOM 4 O GLY A 1 -47.268 4.466 9.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.297 3.595 6.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.702 2.530 7.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.363 4.025 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.917 3.643 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.600 5.186 6.627 1.00 0.00 H new ATOM 8 N SER A 2 -45.524 3.553 8.185 1.00 0.00 N ATOM 9 CA SER A 2 -44.694 3.419 9.371 1.00 0.00 C ATOM 10 C SER A 2 -43.224 3.283 8.968 1.00 0.00 C ATOM 11 O SER A 2 -42.866 2.385 8.207 1.00 0.00 O ATOM 12 CB SER A 2 -45.127 2.218 10.214 1.00 0.00 C ATOM 13 OG SER A 2 -46.374 2.445 10.865 1.00 0.00 O ATOM 0 H SER A 2 -45.091 3.223 7.322 1.00 0.00 H new ATOM 0 HA SER A 2 -44.816 4.316 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.206 1.337 9.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.362 2.004 10.960 1.00 0.00 H new ATOM 0 HG SER A 2 -46.792 3.252 10.498 1.00 0.00 H new ATOM 19 N SER A 3 -42.413 4.187 9.497 1.00 0.00 N ATOM 20 CA SER A 3 -40.990 4.179 9.202 1.00 0.00 C ATOM 21 C SER A 3 -40.296 5.328 9.936 1.00 0.00 C ATOM 22 O SER A 3 -40.958 6.195 10.504 1.00 0.00 O ATOM 23 CB SER A 3 -40.739 4.283 7.696 1.00 0.00 C ATOM 24 OG SER A 3 -41.446 5.373 7.111 1.00 0.00 O ATOM 0 H SER A 3 -42.714 4.930 10.128 1.00 0.00 H new ATOM 0 HA SER A 3 -40.575 3.232 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.671 4.404 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.041 3.354 7.213 1.00 0.00 H new ATOM 0 HG SER A 3 -41.258 5.406 6.150 1.00 0.00 H new ATOM 30 N GLY A 4 -38.972 5.297 9.901 1.00 0.00 N ATOM 31 CA GLY A 4 -38.182 6.325 10.556 1.00 0.00 C ATOM 32 C GLY A 4 -38.297 7.659 9.817 1.00 0.00 C ATOM 33 O GLY A 4 -39.387 8.053 9.404 1.00 0.00 O ATOM 0 H GLY A 4 -38.426 4.576 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.518 6.446 11.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.137 6.016 10.595 1.00 0.00 H new ATOM 37 N SER A 5 -37.157 8.319 9.671 1.00 0.00 N ATOM 38 CA SER A 5 -37.116 9.601 8.988 1.00 0.00 C ATOM 39 C SER A 5 -35.676 10.117 8.930 1.00 0.00 C ATOM 40 O SER A 5 -35.143 10.358 7.848 1.00 0.00 O ATOM 41 CB SER A 5 -38.019 10.623 9.681 1.00 0.00 C ATOM 42 OG SER A 5 -37.788 11.947 9.207 1.00 0.00 O ATOM 0 H SER A 5 -36.255 7.990 10.014 1.00 0.00 H new ATOM 0 HA SER A 5 -37.486 9.460 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.063 10.356 9.516 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.847 10.588 10.757 1.00 0.00 H new ATOM 0 HG SER A 5 -38.385 12.570 9.672 1.00 0.00 H new ATOM 48 N SER A 6 -35.089 10.271 10.108 1.00 0.00 N ATOM 49 CA SER A 6 -33.722 10.754 10.205 1.00 0.00 C ATOM 50 C SER A 6 -32.748 9.659 9.767 1.00 0.00 C ATOM 51 O SER A 6 -32.393 8.786 10.558 1.00 0.00 O ATOM 52 CB SER A 6 -33.400 11.213 11.628 1.00 0.00 C ATOM 53 OG SER A 6 -34.121 12.389 11.986 1.00 0.00 O ATOM 0 H SER A 6 -35.535 10.070 11.003 1.00 0.00 H new ATOM 0 HA SER A 6 -33.615 11.613 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.639 10.414 12.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.330 11.403 11.714 1.00 0.00 H new ATOM 0 HG SER A 6 -33.889 12.649 12.902 1.00 0.00 H new ATOM 59 N GLY A 7 -32.343 9.740 8.508 1.00 0.00 N ATOM 60 CA GLY A 7 -31.416 8.767 7.955 1.00 0.00 C ATOM 61 C GLY A 7 -31.988 7.351 8.050 1.00 0.00 C ATOM 62 O GLY A 7 -33.112 7.161 8.513 1.00 0.00 O ATOM 0 H GLY A 7 -32.640 10.465 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.207 9.010 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.468 8.817 8.491 1.00 0.00 H new ATOM 66 N ASP A 8 -31.189 6.393 7.602 1.00 0.00 N ATOM 67 CA ASP A 8 -31.601 5.000 7.630 1.00 0.00 C ATOM 68 C ASP A 8 -30.375 4.106 7.439 1.00 0.00 C ATOM 69 O ASP A 8 -30.105 3.233 8.261 1.00 0.00 O ATOM 70 CB ASP A 8 -32.590 4.696 6.503 1.00 0.00 C ATOM 71 CG ASP A 8 -32.807 3.209 6.218 1.00 0.00 C ATOM 72 OD1 ASP A 8 -31.874 2.596 5.655 1.00 0.00 O ATOM 73 OD2 ASP A 8 -33.901 2.717 6.570 1.00 0.00 O ATOM 0 H ASP A 8 -30.258 6.555 7.218 1.00 0.00 H new ATOM 0 HA ASP A 8 -32.079 4.809 8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -33.551 5.147 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -32.238 5.178 5.591 1.00 0.00 H new ATOM 78 N ALA A 9 -29.666 4.355 6.348 1.00 0.00 N ATOM 79 CA ALA A 9 -28.474 3.583 6.037 1.00 0.00 C ATOM 80 C ALA A 9 -27.757 4.217 4.844 1.00 0.00 C ATOM 81 O ALA A 9 -28.368 4.947 4.065 1.00 0.00 O ATOM 82 CB ALA A 9 -28.863 2.126 5.777 1.00 0.00 C ATOM 0 H ALA A 9 -29.894 5.080 5.668 1.00 0.00 H new ATOM 0 HA ALA A 9 -27.782 3.591 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -27.969 1.547 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.341 1.713 6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -29.556 2.079 4.937 1.00 0.00 H new ATOM 88 N VAL A 10 -26.471 3.916 4.739 1.00 0.00 N ATOM 89 CA VAL A 10 -25.664 4.448 3.654 1.00 0.00 C ATOM 90 C VAL A 10 -24.266 3.829 3.713 1.00 0.00 C ATOM 91 O VAL A 10 -23.276 4.538 3.887 1.00 0.00 O ATOM 92 CB VAL A 10 -25.645 5.976 3.717 1.00 0.00 C ATOM 93 CG1 VAL A 10 -25.129 6.462 5.073 1.00 0.00 C ATOM 94 CG2 VAL A 10 -24.815 6.562 2.573 1.00 0.00 C ATOM 0 H VAL A 10 -25.968 3.310 5.388 1.00 0.00 H new ATOM 0 HA VAL A 10 -26.097 4.181 2.690 1.00 0.00 H new ATOM 0 HB VAL A 10 -26.670 6.329 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -25.125 7.552 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -25.778 6.088 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -24.115 6.093 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -24.818 7.650 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -23.790 6.197 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -25.245 6.257 1.619 1.00 0.00 H new ATOM 104 N GLU A 11 -24.230 2.513 3.566 1.00 0.00 N ATOM 105 CA GLU A 11 -22.969 1.790 3.600 1.00 0.00 C ATOM 106 C GLU A 11 -23.176 0.341 3.155 1.00 0.00 C ATOM 107 O GLU A 11 -24.177 -0.282 3.503 1.00 0.00 O ATOM 108 CB GLU A 11 -22.341 1.851 4.994 1.00 0.00 C ATOM 109 CG GLU A 11 -21.122 2.777 5.006 1.00 0.00 C ATOM 110 CD GLU A 11 -19.822 1.972 4.976 1.00 0.00 C ATOM 111 OE1 GLU A 11 -19.627 1.173 5.918 1.00 0.00 O ATOM 112 OE2 GLU A 11 -19.051 2.174 4.013 1.00 0.00 O ATOM 0 H GLU A 11 -25.053 1.928 3.423 1.00 0.00 H new ATOM 0 HA GLU A 11 -22.279 2.268 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -23.079 2.205 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.045 0.850 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.160 3.445 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.146 3.404 5.898 1.00 0.00 H new ATOM 119 N LEU A 12 -22.212 -0.152 2.391 1.00 0.00 N ATOM 120 CA LEU A 12 -22.275 -1.516 1.894 1.00 0.00 C ATOM 121 C LEU A 12 -20.856 -2.035 1.659 1.00 0.00 C ATOM 122 O LEU A 12 -20.040 -1.360 1.033 1.00 0.00 O ATOM 123 CB LEU A 12 -23.171 -1.594 0.656 1.00 0.00 C ATOM 124 CG LEU A 12 -23.912 -2.917 0.447 1.00 0.00 C ATOM 125 CD1 LEU A 12 -22.932 -4.089 0.377 1.00 0.00 C ATOM 126 CD2 LEU A 12 -24.978 -3.124 1.525 1.00 0.00 C ATOM 0 H LEU A 12 -21.383 0.369 2.104 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.735 -2.170 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.908 -0.793 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.558 -1.400 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 12 -24.428 -2.872 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.484 -5.017 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.244 -3.939 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.368 -4.148 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -25.490 -4.071 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -24.504 -3.140 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -25.700 -2.309 1.484 1.00 0.00 H new ATOM 138 N PHE A 13 -20.604 -3.230 2.174 1.00 0.00 N ATOM 139 CA PHE A 13 -19.297 -3.847 2.028 1.00 0.00 C ATOM 140 C PHE A 13 -19.373 -5.356 2.270 1.00 0.00 C ATOM 141 O PHE A 13 -20.387 -5.861 2.748 1.00 0.00 O ATOM 142 CB PHE A 13 -18.385 -3.219 3.084 1.00 0.00 C ATOM 143 CG PHE A 13 -16.920 -3.647 2.976 1.00 0.00 C ATOM 144 CD1 PHE A 13 -16.181 -3.275 1.896 1.00 0.00 C ATOM 145 CD2 PHE A 13 -16.357 -4.399 3.959 1.00 0.00 C ATOM 146 CE1 PHE A 13 -14.822 -3.672 1.795 1.00 0.00 C ATOM 147 CE2 PHE A 13 -14.997 -4.796 3.858 1.00 0.00 C ATOM 148 CZ PHE A 13 -14.258 -4.424 2.778 1.00 0.00 C ATOM 0 H PHE A 13 -21.283 -3.787 2.693 1.00 0.00 H new ATOM 0 HA PHE A 13 -18.921 -3.686 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -18.443 -2.134 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -18.758 -3.482 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -16.628 -2.678 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -16.944 -4.694 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.236 -3.377 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.549 -5.393 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.224 -4.726 2.701 1.00 0.00 H new ATOM 158 N LYS A 14 -18.287 -6.033 1.929 1.00 0.00 N ATOM 159 CA LYS A 14 -18.218 -7.474 2.102 1.00 0.00 C ATOM 160 C LYS A 14 -16.780 -7.943 1.872 1.00 0.00 C ATOM 161 O LYS A 14 -16.056 -7.364 1.064 1.00 0.00 O ATOM 162 CB LYS A 14 -19.243 -8.172 1.206 1.00 0.00 C ATOM 163 CG LYS A 14 -18.893 -7.990 -0.272 1.00 0.00 C ATOM 164 CD LYS A 14 -20.064 -7.377 -1.042 1.00 0.00 C ATOM 165 CE LYS A 14 -19.645 -6.991 -2.462 1.00 0.00 C ATOM 166 NZ LYS A 14 -20.694 -7.373 -3.433 1.00 0.00 N ATOM 0 H LYS A 14 -17.447 -5.610 1.534 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.484 -7.747 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.278 -9.234 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -20.236 -7.768 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.016 -7.349 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.631 -8.954 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -20.889 -8.088 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -20.429 -6.496 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.465 -5.917 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.707 -7.484 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.394 -7.104 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.846 -8.401 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.580 -6.883 -3.197 1.00 0.00 H new ATOM 180 N LYS A 15 -16.408 -8.989 2.597 1.00 0.00 N ATOM 181 CA LYS A 15 -15.070 -9.542 2.481 1.00 0.00 C ATOM 182 C LYS A 15 -15.119 -11.046 2.757 1.00 0.00 C ATOM 183 O LYS A 15 -14.861 -11.484 3.878 1.00 0.00 O ATOM 184 CB LYS A 15 -14.096 -8.782 3.384 1.00 0.00 C ATOM 185 CG LYS A 15 -13.323 -7.727 2.592 1.00 0.00 C ATOM 186 CD LYS A 15 -12.046 -8.318 1.992 1.00 0.00 C ATOM 187 CE LYS A 15 -12.065 -8.229 0.465 1.00 0.00 C ATOM 188 NZ LYS A 15 -12.309 -9.563 -0.129 1.00 0.00 N ATOM 0 H LYS A 15 -17.011 -9.467 3.267 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.692 -9.416 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.645 -8.303 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.397 -9.482 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.953 -7.331 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.070 -6.891 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.178 -7.786 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.944 -9.359 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.842 -7.534 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.115 -7.833 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.823 -9.455 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.400 -10.036 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.876 -10.137 0.527 1.00 0.00 H new ATOM 202 N ALA A 16 -15.452 -11.796 1.717 1.00 0.00 N ATOM 203 CA ALA A 16 -15.539 -13.242 1.834 1.00 0.00 C ATOM 204 C ALA A 16 -14.154 -13.851 1.606 1.00 0.00 C ATOM 205 O ALA A 16 -13.559 -13.670 0.544 1.00 0.00 O ATOM 206 CB ALA A 16 -16.579 -13.772 0.846 1.00 0.00 C ATOM 0 H ALA A 16 -15.665 -11.430 0.789 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.865 -13.528 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.644 -14.857 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.550 -13.331 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.284 -13.507 -0.169 1.00 0.00 H new ATOM 212 N ASN A 17 -13.681 -14.561 2.619 1.00 0.00 N ATOM 213 CA ASN A 17 -12.377 -15.198 2.542 1.00 0.00 C ATOM 214 C ASN A 17 -11.312 -14.138 2.253 1.00 0.00 C ATOM 215 O ASN A 17 -11.233 -13.620 1.140 1.00 0.00 O ATOM 216 CB ASN A 17 -12.334 -16.231 1.414 1.00 0.00 C ATOM 217 CG ASN A 17 -13.133 -17.481 1.786 1.00 0.00 C ATOM 218 OD1 ASN A 17 -12.607 -18.457 2.295 1.00 0.00 O ATOM 219 ND2 ASN A 17 -14.430 -17.398 1.503 1.00 0.00 N ATOM 0 H ASN A 17 -14.177 -14.710 3.498 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.188 -15.695 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.739 -15.795 0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.300 -16.505 1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.049 -18.181 1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -14.806 -16.551 1.077 1.00 0.00 H new ATOM 226 N ALA A 18 -10.520 -13.847 3.274 1.00 0.00 N ATOM 227 CA ALA A 18 -9.464 -12.857 3.144 1.00 0.00 C ATOM 228 C ALA A 18 -8.469 -13.025 4.294 1.00 0.00 C ATOM 229 O ALA A 18 -8.625 -12.413 5.349 1.00 0.00 O ATOM 230 CB ALA A 18 -10.078 -11.457 3.104 1.00 0.00 C ATOM 0 H ALA A 18 -10.588 -14.279 4.195 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.917 -12.999 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.286 -10.715 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.754 -11.380 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.633 -11.277 4.025 1.00 0.00 H new ATOM 236 N MET A 19 -7.467 -13.858 4.051 1.00 0.00 N ATOM 237 CA MET A 19 -6.447 -14.114 5.053 1.00 0.00 C ATOM 238 C MET A 19 -5.109 -14.463 4.397 1.00 0.00 C ATOM 239 O MET A 19 -5.073 -15.165 3.388 1.00 0.00 O ATOM 240 CB MET A 19 -6.892 -15.270 5.951 1.00 0.00 C ATOM 241 CG MET A 19 -5.761 -15.707 6.884 1.00 0.00 C ATOM 242 SD MET A 19 -5.453 -14.441 8.104 1.00 0.00 S ATOM 243 CE MET A 19 -3.752 -14.804 8.505 1.00 0.00 C ATOM 0 H MET A 19 -7.340 -14.364 3.174 1.00 0.00 H new ATOM 0 HA MET A 19 -6.314 -13.210 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.757 -14.965 6.540 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.207 -16.113 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.026 -16.642 7.377 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.855 -15.896 6.308 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.620 -14.781 9.587 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.493 -15.794 8.129 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.103 -14.059 8.044 1.00 0.00 H new ATOM 253 N LEU A 20 -4.042 -13.957 4.998 1.00 0.00 N ATOM 254 CA LEU A 20 -2.706 -14.206 4.485 1.00 0.00 C ATOM 255 C LEU A 20 -1.741 -14.392 5.657 1.00 0.00 C ATOM 256 O LEU A 20 -1.845 -15.364 6.403 1.00 0.00 O ATOM 257 CB LEU A 20 -2.289 -13.098 3.515 1.00 0.00 C ATOM 258 CG LEU A 20 -2.992 -13.098 2.155 1.00 0.00 C ATOM 259 CD1 LEU A 20 -3.440 -11.687 1.771 1.00 0.00 C ATOM 260 CD2 LEU A 20 -2.106 -13.731 1.080 1.00 0.00 C ATOM 0 H LEU A 20 -4.076 -13.376 5.835 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.686 -15.129 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.468 -12.136 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.215 -13.175 3.347 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.890 -13.711 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.937 -11.714 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.132 -11.308 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.571 -11.032 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.629 -13.718 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.178 -13.165 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.879 -14.761 1.356 1.00 0.00 H new ATOM 272 N ASP A 21 -0.823 -13.444 5.783 1.00 0.00 N ATOM 273 CA ASP A 21 0.160 -13.491 6.852 1.00 0.00 C ATOM 274 C ASP A 21 0.804 -12.112 7.007 1.00 0.00 C ATOM 275 O ASP A 21 1.134 -11.462 6.017 1.00 0.00 O ATOM 276 CB ASP A 21 1.268 -14.498 6.537 1.00 0.00 C ATOM 277 CG ASP A 21 2.460 -14.468 7.495 1.00 0.00 C ATOM 278 OD1 ASP A 21 3.139 -13.419 7.524 1.00 0.00 O ATOM 279 OD2 ASP A 21 2.666 -15.495 8.177 1.00 0.00 O ATOM 0 H ASP A 21 -0.740 -12.639 5.162 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.350 -13.791 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.840 -15.500 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.629 -14.313 5.525 1.00 0.00 H new ATOM 284 N GLU A 22 0.964 -11.707 8.259 1.00 0.00 N ATOM 285 CA GLU A 22 1.563 -10.417 8.557 1.00 0.00 C ATOM 286 C GLU A 22 3.017 -10.597 8.999 1.00 0.00 C ATOM 287 O GLU A 22 3.386 -11.649 9.517 1.00 0.00 O ATOM 288 CB GLU A 22 0.755 -9.670 9.619 1.00 0.00 C ATOM 289 CG GLU A 22 0.816 -10.395 10.965 1.00 0.00 C ATOM 290 CD GLU A 22 -0.524 -11.055 11.294 1.00 0.00 C ATOM 291 OE1 GLU A 22 -1.458 -10.302 11.645 1.00 0.00 O ATOM 292 OE2 GLU A 22 -0.585 -12.299 11.186 1.00 0.00 O ATOM 0 H GLU A 22 0.689 -12.249 9.078 1.00 0.00 H new ATOM 0 HA GLU A 22 1.552 -9.814 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.142 -8.657 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.282 -9.581 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.601 -11.151 10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.080 -9.688 11.751 1.00 0.00 H new ATOM 299 N ASP A 23 3.802 -9.553 8.778 1.00 0.00 N ATOM 300 CA ASP A 23 5.207 -9.582 9.147 1.00 0.00 C ATOM 301 C ASP A 23 5.583 -8.256 9.811 1.00 0.00 C ATOM 302 O ASP A 23 5.604 -7.214 9.158 1.00 0.00 O ATOM 303 CB ASP A 23 6.097 -9.762 7.915 1.00 0.00 C ATOM 304 CG ASP A 23 7.446 -10.430 8.184 1.00 0.00 C ATOM 305 OD1 ASP A 23 7.429 -11.642 8.491 1.00 0.00 O ATOM 306 OD2 ASP A 23 8.465 -9.714 8.078 1.00 0.00 O ATOM 0 H ASP A 23 3.492 -8.682 8.348 1.00 0.00 H new ATOM 0 HA ASP A 23 5.359 -10.420 9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.556 -10.355 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.276 -8.784 7.468 1.00 0.00 H new ATOM 311 N GLU A 24 5.870 -8.338 11.102 1.00 0.00 N ATOM 312 CA GLU A 24 6.244 -7.158 11.862 1.00 0.00 C ATOM 313 C GLU A 24 7.683 -7.285 12.367 1.00 0.00 C ATOM 314 O GLU A 24 8.160 -8.390 12.622 1.00 0.00 O ATOM 315 CB GLU A 24 5.275 -6.924 13.023 1.00 0.00 C ATOM 316 CG GLU A 24 5.806 -5.848 13.972 1.00 0.00 C ATOM 317 CD GLU A 24 5.767 -4.467 13.313 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.771 -4.205 12.604 1.00 0.00 O ATOM 319 OE2 GLU A 24 6.734 -3.706 13.532 1.00 0.00 O ATOM 0 H GLU A 24 5.851 -9.204 11.641 1.00 0.00 H new ATOM 0 HA GLU A 24 6.186 -6.292 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.302 -6.623 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.126 -7.855 13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.210 -5.836 14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.829 -6.087 14.263 1.00 0.00 H new ATOM 326 N ASP A 25 8.335 -6.139 12.495 1.00 0.00 N ATOM 327 CA ASP A 25 9.710 -6.108 12.964 1.00 0.00 C ATOM 328 C ASP A 25 10.615 -6.761 11.918 1.00 0.00 C ATOM 329 O ASP A 25 10.134 -7.288 10.916 1.00 0.00 O ATOM 330 CB ASP A 25 9.862 -6.884 14.273 1.00 0.00 C ATOM 331 CG ASP A 25 11.021 -6.430 15.163 1.00 0.00 C ATOM 332 OD1 ASP A 25 10.987 -5.253 15.582 1.00 0.00 O ATOM 333 OD2 ASP A 25 11.915 -7.270 15.404 1.00 0.00 O ATOM 0 H ASP A 25 7.936 -5.225 12.282 1.00 0.00 H new ATOM 0 HA ASP A 25 9.988 -5.067 13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.934 -6.798 14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.996 -7.940 14.038 1.00 0.00 H new ATOM 338 N GLU A 26 11.912 -6.706 12.187 1.00 0.00 N ATOM 339 CA GLU A 26 12.889 -7.286 11.282 1.00 0.00 C ATOM 340 C GLU A 26 12.795 -6.625 9.906 1.00 0.00 C ATOM 341 O GLU A 26 11.837 -5.909 9.621 1.00 0.00 O ATOM 342 CB GLU A 26 12.707 -8.802 11.176 1.00 0.00 C ATOM 343 CG GLU A 26 13.668 -9.536 12.114 1.00 0.00 C ATOM 344 CD GLU A 26 14.961 -9.913 11.388 1.00 0.00 C ATOM 345 OE1 GLU A 26 15.681 -8.974 10.986 1.00 0.00 O ATOM 346 OE2 GLU A 26 15.199 -11.133 11.251 1.00 0.00 O ATOM 0 H GLU A 26 12.308 -6.269 13.019 1.00 0.00 H new ATOM 0 HA GLU A 26 13.884 -7.100 11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.679 -9.067 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.881 -9.122 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.899 -8.904 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.188 -10.435 12.501 1.00 0.00 H new ATOM 353 N ARG A 27 13.804 -6.890 9.088 1.00 0.00 N ATOM 354 CA ARG A 27 13.847 -6.330 7.748 1.00 0.00 C ATOM 355 C ARG A 27 12.455 -6.364 7.113 1.00 0.00 C ATOM 356 O ARG A 27 11.587 -7.115 7.554 1.00 0.00 O ATOM 357 CB ARG A 27 14.825 -7.101 6.859 1.00 0.00 C ATOM 358 CG ARG A 27 16.116 -6.308 6.646 1.00 0.00 C ATOM 359 CD ARG A 27 17.078 -7.063 5.727 1.00 0.00 C ATOM 360 NE ARG A 27 18.465 -6.927 6.225 1.00 0.00 N ATOM 361 CZ ARG A 27 19.552 -7.279 5.525 1.00 0.00 C ATOM 362 NH1 ARG A 27 19.420 -7.792 4.294 1.00 0.00 N ATOM 363 NH2 ARG A 27 20.772 -7.120 6.057 1.00 0.00 N ATOM 0 H ARG A 27 14.597 -7.485 9.328 1.00 0.00 H new ATOM 0 HA ARG A 27 14.187 -5.298 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.056 -8.063 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.359 -7.310 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.882 -5.335 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.596 -6.122 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.800 -8.116 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.007 -6.672 4.712 1.00 0.00 H new ATOM 0 HE ARG A 27 18.602 -6.541 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.492 -7.915 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.248 -8.060 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.873 -6.731 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.600 -7.388 5.524 1.00 0.00 H new ATOM 377 N VAL A 28 12.287 -5.542 6.087 1.00 0.00 N ATOM 378 CA VAL A 28 11.016 -5.469 5.387 1.00 0.00 C ATOM 379 C VAL A 28 10.740 -6.808 4.699 1.00 0.00 C ATOM 380 O VAL A 28 11.615 -7.670 4.638 1.00 0.00 O ATOM 381 CB VAL A 28 11.021 -4.288 4.415 1.00 0.00 C ATOM 382 CG1 VAL A 28 9.640 -4.089 3.787 1.00 0.00 C ATOM 383 CG2 VAL A 28 11.498 -3.010 5.108 1.00 0.00 C ATOM 0 H VAL A 28 13.010 -4.921 5.724 1.00 0.00 H new ATOM 0 HA VAL A 28 10.203 -5.291 6.090 1.00 0.00 H new ATOM 0 HB VAL A 28 11.723 -4.516 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.671 -3.243 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.355 -4.989 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.909 -3.893 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.492 -2.186 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.832 -2.776 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.510 -3.157 5.485 1.00 0.00 H new ATOM 393 N ASP A 29 9.520 -6.939 4.199 1.00 0.00 N ATOM 394 CA ASP A 29 9.118 -8.158 3.518 1.00 0.00 C ATOM 395 C ASP A 29 9.409 -8.022 2.023 1.00 0.00 C ATOM 396 O ASP A 29 9.095 -6.998 1.417 1.00 0.00 O ATOM 397 CB ASP A 29 7.619 -8.415 3.687 1.00 0.00 C ATOM 398 CG ASP A 29 7.220 -9.889 3.767 1.00 0.00 C ATOM 399 OD1 ASP A 29 7.758 -10.575 4.663 1.00 0.00 O ATOM 400 OD2 ASP A 29 6.386 -10.298 2.930 1.00 0.00 O ATOM 0 H ASP A 29 8.797 -6.221 4.252 1.00 0.00 H new ATOM 0 HA ASP A 29 9.677 -8.987 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.280 -7.913 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.091 -7.956 2.851 1.00 0.00 H new ATOM 405 N GLU A 30 10.005 -9.068 1.470 1.00 0.00 N ATOM 406 CA GLU A 30 10.342 -9.077 0.057 1.00 0.00 C ATOM 407 C GLU A 30 9.149 -9.563 -0.770 1.00 0.00 C ATOM 408 O GLU A 30 8.861 -9.014 -1.832 1.00 0.00 O ATOM 409 CB GLU A 30 11.578 -9.938 -0.207 1.00 0.00 C ATOM 410 CG GLU A 30 11.252 -11.426 -0.061 1.00 0.00 C ATOM 411 CD GLU A 30 12.480 -12.289 -0.357 1.00 0.00 C ATOM 412 OE1 GLU A 30 13.475 -12.134 0.385 1.00 0.00 O ATOM 413 OE2 GLU A 30 12.398 -13.083 -1.319 1.00 0.00 O ATOM 0 H GLU A 30 10.263 -9.916 1.975 1.00 0.00 H new ATOM 0 HA GLU A 30 10.579 -8.057 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.955 -9.742 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.371 -9.666 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.898 -11.627 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.443 -11.693 -0.741 1.00 0.00 H new ATOM 420 N ALA A 31 8.488 -10.587 -0.250 1.00 0.00 N ATOM 421 CA ALA A 31 7.333 -11.153 -0.927 1.00 0.00 C ATOM 422 C ALA A 31 6.368 -10.028 -1.307 1.00 0.00 C ATOM 423 O ALA A 31 5.851 -9.999 -2.422 1.00 0.00 O ATOM 424 CB ALA A 31 6.679 -12.204 -0.028 1.00 0.00 C ATOM 0 H ALA A 31 8.730 -11.039 0.632 1.00 0.00 H new ATOM 0 HA ALA A 31 7.634 -11.653 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.813 -12.629 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.397 -12.995 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.361 -11.738 0.905 1.00 0.00 H new ATOM 430 N ALA A 32 6.155 -9.129 -0.357 1.00 0.00 N ATOM 431 CA ALA A 32 5.261 -8.005 -0.578 1.00 0.00 C ATOM 432 C ALA A 32 5.930 -7.005 -1.525 1.00 0.00 C ATOM 433 O ALA A 32 5.335 -6.594 -2.519 1.00 0.00 O ATOM 434 CB ALA A 32 4.890 -7.376 0.766 1.00 0.00 C ATOM 0 H ALA A 32 6.586 -9.156 0.567 1.00 0.00 H new ATOM 0 HA ALA A 32 4.336 -8.337 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.219 -6.533 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.392 -8.118 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.794 -7.028 1.267 1.00 0.00 H new ATOM 440 N LEU A 33 7.158 -6.644 -1.182 1.00 0.00 N ATOM 441 CA LEU A 33 7.913 -5.701 -1.988 1.00 0.00 C ATOM 442 C LEU A 33 7.815 -6.104 -3.461 1.00 0.00 C ATOM 443 O LEU A 33 7.520 -5.271 -4.317 1.00 0.00 O ATOM 444 CB LEU A 33 9.351 -5.589 -1.476 1.00 0.00 C ATOM 445 CG LEU A 33 10.250 -4.596 -2.215 1.00 0.00 C ATOM 446 CD1 LEU A 33 9.814 -3.155 -1.945 1.00 0.00 C ATOM 447 CD2 LEU A 33 11.722 -4.825 -1.865 1.00 0.00 C ATOM 0 H LEU A 33 7.649 -6.988 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 33 7.489 -4.701 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.320 -5.307 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.812 -6.575 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 33 10.142 -4.769 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.470 -2.470 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.787 -3.016 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.874 -2.951 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.340 -4.106 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.865 -4.695 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.011 -5.837 -2.150 1.00 0.00 H new ATOM 459 N ARG A 34 8.068 -7.380 -3.711 1.00 0.00 N ATOM 460 CA ARG A 34 8.012 -7.902 -5.066 1.00 0.00 C ATOM 461 C ARG A 34 6.724 -7.450 -5.756 1.00 0.00 C ATOM 462 O ARG A 34 6.763 -6.919 -6.865 1.00 0.00 O ATOM 463 CB ARG A 34 8.074 -9.431 -5.069 1.00 0.00 C ATOM 464 CG ARG A 34 9.317 -9.928 -5.811 1.00 0.00 C ATOM 465 CD ARG A 34 10.538 -9.939 -4.889 1.00 0.00 C ATOM 466 NE ARG A 34 11.669 -9.240 -5.538 1.00 0.00 N ATOM 467 CZ ARG A 34 12.276 -9.668 -6.653 1.00 0.00 C ATOM 468 NH1 ARG A 34 11.864 -10.795 -7.250 1.00 0.00 N ATOM 469 NH2 ARG A 34 13.295 -8.969 -7.172 1.00 0.00 N ATOM 0 H ARG A 34 8.312 -8.068 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 34 8.874 -7.513 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.086 -9.800 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.178 -9.834 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.138 -10.932 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.512 -9.287 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.294 -9.454 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.820 -10.966 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 34 12.008 -8.378 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.088 -11.327 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.326 -11.121 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.608 -8.111 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.757 -9.295 -8.021 1.00 0.00 H new ATOM 483 N GLN A 35 5.612 -7.676 -5.072 1.00 0.00 N ATOM 484 CA GLN A 35 4.315 -7.298 -5.606 1.00 0.00 C ATOM 485 C GLN A 35 4.338 -5.842 -6.076 1.00 0.00 C ATOM 486 O GLN A 35 4.002 -5.551 -7.222 1.00 0.00 O ATOM 487 CB GLN A 35 3.210 -7.523 -4.572 1.00 0.00 C ATOM 488 CG GLN A 35 3.346 -8.898 -3.915 1.00 0.00 C ATOM 489 CD GLN A 35 2.011 -9.647 -3.927 1.00 0.00 C ATOM 490 OE1 GLN A 35 1.259 -9.609 -4.887 1.00 0.00 O ATOM 491 NE2 GLN A 35 1.761 -10.326 -2.812 1.00 0.00 N ATOM 0 H GLN A 35 5.583 -8.116 -4.152 1.00 0.00 H new ATOM 0 HA GLN A 35 4.098 -7.933 -6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.257 -6.745 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.235 -7.440 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.100 -9.483 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.692 -8.782 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.435 -10.315 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.896 -10.858 -2.722 1.00 0.00 H new ATOM 500 N LEU A 36 4.737 -4.966 -5.165 1.00 0.00 N ATOM 501 CA LEU A 36 4.809 -3.548 -5.472 1.00 0.00 C ATOM 502 C LEU A 36 5.813 -3.325 -6.605 1.00 0.00 C ATOM 503 O LEU A 36 5.444 -2.865 -7.685 1.00 0.00 O ATOM 504 CB LEU A 36 5.118 -2.741 -4.209 1.00 0.00 C ATOM 505 CG LEU A 36 4.006 -2.686 -3.160 1.00 0.00 C ATOM 506 CD1 LEU A 36 4.582 -2.447 -1.763 1.00 0.00 C ATOM 507 CD2 LEU A 36 2.953 -1.640 -3.532 1.00 0.00 C ATOM 0 H LEU A 36 5.014 -5.211 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 36 3.844 -3.186 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.010 -3.160 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.363 -1.721 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 36 3.506 -3.654 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.771 -2.412 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.264 -3.258 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.122 -1.500 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.174 -1.621 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.422 -0.658 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.512 -1.895 -4.496 1.00 0.00 H new ATOM 519 N THR A 37 7.062 -3.662 -6.320 1.00 0.00 N ATOM 520 CA THR A 37 8.122 -3.505 -7.302 1.00 0.00 C ATOM 521 C THR A 37 7.709 -4.127 -8.637 1.00 0.00 C ATOM 522 O THR A 37 8.222 -3.748 -9.688 1.00 0.00 O ATOM 523 CB THR A 37 9.400 -4.110 -6.719 1.00 0.00 C ATOM 524 OG1 THR A 37 8.988 -5.383 -6.226 1.00 0.00 O ATOM 525 CG2 THR A 37 9.884 -3.367 -5.472 1.00 0.00 C ATOM 0 H THR A 37 7.364 -4.043 -5.423 1.00 0.00 H new ATOM 0 HA THR A 37 8.311 -2.453 -7.515 1.00 0.00 H new ATOM 0 HB THR A 37 10.185 -4.099 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.768 -5.310 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.794 -3.837 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.091 -2.327 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.113 -3.407 -4.703 1.00 0.00 H new ATOM 533 N GLU A 38 6.784 -5.073 -8.552 1.00 0.00 N ATOM 534 CA GLU A 38 6.296 -5.751 -9.740 1.00 0.00 C ATOM 535 C GLU A 38 5.247 -4.892 -10.449 1.00 0.00 C ATOM 536 O GLU A 38 5.106 -4.958 -11.669 1.00 0.00 O ATOM 537 CB GLU A 38 5.732 -7.130 -9.392 1.00 0.00 C ATOM 538 CG GLU A 38 6.851 -8.166 -9.269 1.00 0.00 C ATOM 539 CD GLU A 38 7.135 -8.828 -10.619 1.00 0.00 C ATOM 540 OE1 GLU A 38 7.543 -8.088 -11.540 1.00 0.00 O ATOM 541 OE2 GLU A 38 6.939 -10.060 -10.699 1.00 0.00 O ATOM 0 H GLU A 38 6.360 -5.385 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 38 7.135 -5.899 -10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.179 -7.074 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.026 -7.442 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.756 -7.686 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.570 -8.925 -8.539 1.00 0.00 H new ATOM 548 N MET A 39 4.537 -4.106 -9.653 1.00 0.00 N ATOM 549 CA MET A 39 3.504 -3.235 -10.189 1.00 0.00 C ATOM 550 C MET A 39 4.116 -2.108 -11.023 1.00 0.00 C ATOM 551 O MET A 39 3.967 -2.082 -12.243 1.00 0.00 O ATOM 552 CB MET A 39 2.693 -2.637 -9.038 1.00 0.00 C ATOM 553 CG MET A 39 1.598 -3.601 -8.580 1.00 0.00 C ATOM 554 SD MET A 39 -0.009 -2.937 -8.985 1.00 0.00 S ATOM 555 CE MET A 39 -0.075 -1.567 -7.843 1.00 0.00 C ATOM 0 H MET A 39 4.656 -4.054 -8.641 1.00 0.00 H new ATOM 0 HA MET A 39 2.854 -3.827 -10.834 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.355 -2.409 -8.202 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.244 -1.696 -9.355 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.731 -4.570 -9.060 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.673 -3.765 -7.505 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.108 -1.239 -7.727 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.317 -1.881 -6.875 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.526 -0.743 -8.228 1.00 0.00 H new ATOM 565 N GLY A 40 4.792 -1.203 -10.330 1.00 0.00 N ATOM 566 CA GLY A 40 5.427 -0.075 -10.991 1.00 0.00 C ATOM 567 C GLY A 40 5.868 0.979 -9.975 1.00 0.00 C ATOM 568 O GLY A 40 5.654 2.173 -10.180 1.00 0.00 O ATOM 0 H GLY A 40 4.914 -1.228 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.290 -0.421 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.734 0.370 -11.704 1.00 0.00 H new ATOM 572 N PHE A 41 6.477 0.500 -8.899 1.00 0.00 N ATOM 573 CA PHE A 41 6.950 1.387 -7.850 1.00 0.00 C ATOM 574 C PHE A 41 8.401 1.074 -7.480 1.00 0.00 C ATOM 575 O PHE A 41 8.854 -0.059 -7.636 1.00 0.00 O ATOM 576 CB PHE A 41 6.062 1.148 -6.628 1.00 0.00 C ATOM 577 CG PHE A 41 4.621 1.634 -6.800 1.00 0.00 C ATOM 578 CD1 PHE A 41 4.377 2.926 -7.146 1.00 0.00 C ATOM 579 CD2 PHE A 41 3.586 0.773 -6.608 1.00 0.00 C ATOM 580 CE1 PHE A 41 3.040 3.377 -7.306 1.00 0.00 C ATOM 581 CE2 PHE A 41 2.249 1.225 -6.768 1.00 0.00 C ATOM 582 CZ PHE A 41 2.004 2.517 -7.114 1.00 0.00 C ATOM 0 H PHE A 41 6.653 -0.491 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 41 6.905 2.422 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.050 0.081 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.504 1.650 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.200 3.609 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.780 -0.253 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.846 4.403 -7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.426 0.542 -6.615 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.987 2.860 -7.236 1.00 0.00 H new ATOM 592 N PRO A 42 9.108 2.125 -6.985 1.00 0.00 N ATOM 593 CA PRO A 42 10.498 1.973 -6.592 1.00 0.00 C ATOM 594 C PRO A 42 10.614 1.224 -5.263 1.00 0.00 C ATOM 595 O PRO A 42 9.822 1.450 -4.348 1.00 0.00 O ATOM 596 CB PRO A 42 11.045 3.390 -6.525 1.00 0.00 C ATOM 597 CG PRO A 42 9.832 4.301 -6.428 1.00 0.00 C ATOM 598 CD PRO A 42 8.604 3.481 -6.786 1.00 0.00 C ATOM 0 HA PRO A 42 11.071 1.372 -7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.698 3.516 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.638 3.622 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.739 4.707 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.936 5.149 -7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.860 3.514 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.123 3.861 -7.687 1.00 0.00 H new ATOM 606 N GLU A 43 11.606 0.349 -5.197 1.00 0.00 N ATOM 607 CA GLU A 43 11.835 -0.435 -3.995 1.00 0.00 C ATOM 608 C GLU A 43 11.854 0.475 -2.765 1.00 0.00 C ATOM 609 O GLU A 43 11.122 0.241 -1.804 1.00 0.00 O ATOM 610 CB GLU A 43 13.133 -1.238 -4.103 1.00 0.00 C ATOM 611 CG GLU A 43 12.983 -2.612 -3.446 1.00 0.00 C ATOM 612 CD GLU A 43 14.311 -3.081 -2.848 1.00 0.00 C ATOM 613 OE1 GLU A 43 15.030 -2.211 -2.309 1.00 0.00 O ATOM 614 OE2 GLU A 43 14.578 -4.298 -2.943 1.00 0.00 O ATOM 0 H GLU A 43 12.261 0.165 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 43 11.015 -1.145 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.403 -1.360 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.945 -0.689 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.225 -2.565 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.636 -3.336 -4.183 1.00 0.00 H new ATOM 621 N ASN A 44 12.699 1.493 -2.834 1.00 0.00 N ATOM 622 CA ASN A 44 12.824 2.438 -1.738 1.00 0.00 C ATOM 623 C ASN A 44 11.432 2.772 -1.198 1.00 0.00 C ATOM 624 O ASN A 44 11.091 2.398 -0.076 1.00 0.00 O ATOM 625 CB ASN A 44 13.474 3.741 -2.205 1.00 0.00 C ATOM 626 CG ASN A 44 13.160 4.014 -3.678 1.00 0.00 C ATOM 627 OD1 ASN A 44 13.633 3.337 -4.576 1.00 0.00 O ATOM 628 ND2 ASN A 44 12.337 5.040 -3.874 1.00 0.00 N ATOM 0 H ASN A 44 13.304 1.684 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 44 13.446 1.981 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.116 4.569 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.553 3.684 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.065 5.302 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.977 5.565 -3.077 1.00 0.00 H new ATOM 635 N ARG A 45 10.664 3.471 -2.021 1.00 0.00 N ATOM 636 CA ARG A 45 9.317 3.860 -1.640 1.00 0.00 C ATOM 637 C ARG A 45 8.541 2.646 -1.123 1.00 0.00 C ATOM 638 O ARG A 45 8.173 2.594 0.049 1.00 0.00 O ATOM 639 CB ARG A 45 8.565 4.471 -2.823 1.00 0.00 C ATOM 640 CG ARG A 45 8.776 5.986 -2.884 1.00 0.00 C ATOM 641 CD ARG A 45 8.051 6.593 -4.086 1.00 0.00 C ATOM 642 NE ARG A 45 6.592 6.379 -3.958 1.00 0.00 N ATOM 643 CZ ARG A 45 5.700 6.693 -4.907 1.00 0.00 C ATOM 644 NH1 ARG A 45 6.113 7.237 -6.061 1.00 0.00 N ATOM 645 NH2 ARG A 45 4.396 6.464 -4.704 1.00 0.00 N ATOM 0 H ARG A 45 10.949 3.778 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 45 9.398 4.607 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.908 4.015 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.501 4.252 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.411 6.445 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.842 6.206 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.266 7.660 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.414 6.138 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 45 6.244 5.966 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.106 7.412 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.434 7.476 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.081 6.050 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.718 6.703 -5.427 1.00 0.00 H new ATOM 659 N ALA A 46 8.316 1.701 -2.024 1.00 0.00 N ATOM 660 CA ALA A 46 7.590 0.492 -1.674 1.00 0.00 C ATOM 661 C ALA A 46 8.020 0.030 -0.280 1.00 0.00 C ATOM 662 O ALA A 46 7.180 -0.197 0.589 1.00 0.00 O ATOM 663 CB ALA A 46 7.831 -0.576 -2.743 1.00 0.00 C ATOM 0 H ALA A 46 8.624 1.748 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 46 6.518 0.684 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.286 -1.483 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.482 -0.210 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.897 -0.797 -2.803 1.00 0.00 H new ATOM 669 N THR A 47 9.328 -0.097 -0.111 1.00 0.00 N ATOM 670 CA THR A 47 9.880 -0.528 1.162 1.00 0.00 C ATOM 671 C THR A 47 9.418 0.402 2.286 1.00 0.00 C ATOM 672 O THR A 47 8.785 -0.042 3.242 1.00 0.00 O ATOM 673 CB THR A 47 11.401 -0.598 1.018 1.00 0.00 C ATOM 674 OG1 THR A 47 11.630 -1.829 0.339 1.00 0.00 O ATOM 675 CG2 THR A 47 12.109 -0.778 2.363 1.00 0.00 C ATOM 0 H THR A 47 10.022 0.091 -0.835 1.00 0.00 H new ATOM 0 HA THR A 47 9.519 -1.520 1.434 1.00 0.00 H new ATOM 0 HB THR A 47 11.761 0.311 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.592 -1.953 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.186 -0.822 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.872 0.063 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.773 -1.704 2.830 1.00 0.00 H new ATOM 683 N LYS A 48 9.752 1.675 2.133 1.00 0.00 N ATOM 684 CA LYS A 48 9.379 2.671 3.123 1.00 0.00 C ATOM 685 C LYS A 48 7.871 2.600 3.368 1.00 0.00 C ATOM 686 O LYS A 48 7.432 2.348 4.489 1.00 0.00 O ATOM 687 CB LYS A 48 9.869 4.057 2.699 1.00 0.00 C ATOM 688 CG LYS A 48 8.996 5.156 3.307 1.00 0.00 C ATOM 689 CD LYS A 48 9.456 6.540 2.844 1.00 0.00 C ATOM 690 CE LYS A 48 9.272 7.579 3.953 1.00 0.00 C ATOM 691 NZ LYS A 48 10.585 8.002 4.489 1.00 0.00 N ATOM 0 H LYS A 48 10.277 2.040 1.338 1.00 0.00 H new ATOM 0 HA LYS A 48 9.867 2.463 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.904 4.193 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.854 4.135 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.956 5.000 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.039 5.100 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.505 6.499 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.889 6.839 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.736 8.444 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.663 7.161 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.443 8.707 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.083 7.176 4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.153 8.420 3.725 1.00 0.00 H new ATOM 705 N ALA A 49 7.119 2.827 2.301 1.00 0.00 N ATOM 706 CA ALA A 49 5.669 2.792 2.386 1.00 0.00 C ATOM 707 C ALA A 49 5.237 1.536 3.145 1.00 0.00 C ATOM 708 O ALA A 49 4.464 1.616 4.098 1.00 0.00 O ATOM 709 CB ALA A 49 5.072 2.858 0.979 1.00 0.00 C ATOM 0 H ALA A 49 7.487 3.036 1.373 1.00 0.00 H new ATOM 0 HA ALA A 49 5.296 3.655 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.984 2.832 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.384 3.783 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.421 2.006 0.395 1.00 0.00 H new ATOM 715 N LEU A 50 5.755 0.403 2.693 1.00 0.00 N ATOM 716 CA LEU A 50 5.433 -0.869 3.317 1.00 0.00 C ATOM 717 C LEU A 50 5.566 -0.736 4.835 1.00 0.00 C ATOM 718 O LEU A 50 4.611 -0.984 5.570 1.00 0.00 O ATOM 719 CB LEU A 50 6.287 -1.990 2.721 1.00 0.00 C ATOM 720 CG LEU A 50 5.752 -2.631 1.438 1.00 0.00 C ATOM 721 CD1 LEU A 50 6.831 -3.474 0.756 1.00 0.00 C ATOM 722 CD2 LEU A 50 4.484 -3.439 1.717 1.00 0.00 C ATOM 0 H LEU A 50 6.396 0.340 1.902 1.00 0.00 H new ATOM 0 HA LEU A 50 4.399 -1.143 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.282 -1.593 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.403 -2.771 3.473 1.00 0.00 H new ATOM 0 HG LEU A 50 5.480 -1.835 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.425 -3.918 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.681 -2.841 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.157 -4.265 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.124 -3.884 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.706 -4.228 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.716 -2.782 2.126 1.00 0.00 H new ATOM 734 N GLN A 51 6.758 -0.344 5.261 1.00 0.00 N ATOM 735 CA GLN A 51 7.028 -0.174 6.678 1.00 0.00 C ATOM 736 C GLN A 51 5.949 0.697 7.324 1.00 0.00 C ATOM 737 O GLN A 51 5.610 0.507 8.491 1.00 0.00 O ATOM 738 CB GLN A 51 8.420 0.420 6.904 1.00 0.00 C ATOM 739 CG GLN A 51 9.490 -0.398 6.177 1.00 0.00 C ATOM 740 CD GLN A 51 10.635 -0.766 7.123 1.00 0.00 C ATOM 741 OE1 GLN A 51 10.432 -1.225 8.235 1.00 0.00 O ATOM 742 NE2 GLN A 51 11.845 -0.538 6.621 1.00 0.00 N ATOM 0 H GLN A 51 7.548 -0.139 4.649 1.00 0.00 H new ATOM 0 HA GLN A 51 7.006 -1.155 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.442 1.450 6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.639 0.446 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.045 -1.305 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.879 0.173 5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.943 -0.152 5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.675 -0.749 7.175 1.00 0.00 H new ATOM 751 N LEU A 52 5.439 1.632 6.536 1.00 0.00 N ATOM 752 CA LEU A 52 4.405 2.533 7.017 1.00 0.00 C ATOM 753 C LEU A 52 3.041 1.851 6.889 1.00 0.00 C ATOM 754 O LEU A 52 2.100 2.199 7.601 1.00 0.00 O ATOM 755 CB LEU A 52 4.489 3.879 6.295 1.00 0.00 C ATOM 756 CG LEU A 52 5.813 4.634 6.436 1.00 0.00 C ATOM 757 CD1 LEU A 52 6.051 5.551 5.235 1.00 0.00 C ATOM 758 CD2 LEU A 52 5.870 5.397 7.761 1.00 0.00 C ATOM 0 H LEU A 52 5.722 1.785 5.568 1.00 0.00 H new ATOM 0 HA LEU A 52 4.554 2.754 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.300 3.713 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.688 4.518 6.665 1.00 0.00 H new ATOM 0 HG LEU A 52 6.623 3.905 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.998 6.076 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.084 4.955 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.241 6.277 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.821 5.925 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.052 6.116 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.778 4.695 8.590 1.00 0.00 H new ATOM 770 N ASN A 53 2.977 0.892 5.977 1.00 0.00 N ATOM 771 CA ASN A 53 1.745 0.158 5.747 1.00 0.00 C ATOM 772 C ASN A 53 1.882 -1.254 6.319 1.00 0.00 C ATOM 773 O ASN A 53 1.425 -2.221 5.712 1.00 0.00 O ATOM 774 CB ASN A 53 1.448 0.035 4.251 1.00 0.00 C ATOM 775 CG ASN A 53 1.132 1.402 3.640 1.00 0.00 C ATOM 776 OD1 ASN A 53 0.092 1.616 3.039 1.00 0.00 O ATOM 777 ND2 ASN A 53 2.084 2.311 3.827 1.00 0.00 N ATOM 0 H ASN A 53 3.759 0.606 5.388 1.00 0.00 H new ATOM 0 HA ASN A 53 0.934 0.701 6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.305 -0.406 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.605 -0.639 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.968 3.255 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.931 2.065 4.340 1.00 0.00 H new ATOM 784 N HIS A 54 2.514 -1.328 7.481 1.00 0.00 N ATOM 785 CA HIS A 54 2.718 -2.605 8.143 1.00 0.00 C ATOM 786 C HIS A 54 3.038 -3.678 7.100 1.00 0.00 C ATOM 787 O HIS A 54 2.561 -4.808 7.200 1.00 0.00 O ATOM 788 CB HIS A 54 1.511 -2.965 9.012 1.00 0.00 C ATOM 789 CG HIS A 54 1.404 -2.152 10.280 1.00 0.00 C ATOM 790 ND1 HIS A 54 0.546 -2.485 11.314 1.00 0.00 N ATOM 791 CD2 HIS A 54 2.054 -1.018 10.670 1.00 0.00 C ATOM 792 CE1 HIS A 54 0.683 -1.585 12.277 1.00 0.00 C ATOM 793 NE2 HIS A 54 1.617 -0.676 11.875 1.00 0.00 N ATOM 0 H HIS A 54 2.892 -0.523 7.981 1.00 0.00 H new ATOM 0 HA HIS A 54 3.571 -2.537 8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.601 -2.829 8.427 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.567 -4.022 9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.799 -0.488 10.095 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.149 -1.573 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.928 0.133 12.412 1.00 0.00 H new ATOM 801 N MET A 55 3.842 -3.286 6.123 1.00 0.00 N ATOM 802 CA MET A 55 4.231 -4.200 5.062 1.00 0.00 C ATOM 803 C MET A 55 3.002 -4.777 4.357 1.00 0.00 C ATOM 804 O MET A 55 2.804 -5.991 4.341 1.00 0.00 O ATOM 805 CB MET A 55 5.064 -5.340 5.651 1.00 0.00 C ATOM 806 CG MET A 55 6.556 -5.120 5.391 1.00 0.00 C ATOM 807 SD MET A 55 7.433 -4.995 6.940 1.00 0.00 S ATOM 808 CE MET A 55 8.044 -3.322 6.816 1.00 0.00 C ATOM 0 H MET A 55 4.235 -2.348 6.043 1.00 0.00 H new ATOM 0 HA MET A 55 4.820 -3.648 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.885 -5.410 6.724 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.751 -6.288 5.213 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.957 -5.945 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.702 -4.211 4.807 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.127 -3.338 6.694 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.590 -2.832 5.955 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.789 -2.773 7.723 1.00 0.00 H new ATOM 818 N SER A 56 2.209 -3.879 3.790 1.00 0.00 N ATOM 819 CA SER A 56 1.004 -4.284 3.085 1.00 0.00 C ATOM 820 C SER A 56 1.191 -4.092 1.579 1.00 0.00 C ATOM 821 O SER A 56 1.707 -3.066 1.139 1.00 0.00 O ATOM 822 CB SER A 56 -0.212 -3.495 3.575 1.00 0.00 C ATOM 823 OG SER A 56 -0.968 -4.223 4.538 1.00 0.00 O ATOM 0 H SER A 56 2.377 -2.873 3.804 1.00 0.00 H new ATOM 0 HA SER A 56 0.824 -5.339 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.119 -2.553 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.849 -3.247 2.726 1.00 0.00 H new ATOM 0 HG SER A 56 -1.240 -3.622 5.263 1.00 0.00 H new ATOM 829 N VAL A 57 0.760 -5.096 0.829 1.00 0.00 N ATOM 830 CA VAL A 57 0.873 -5.050 -0.619 1.00 0.00 C ATOM 831 C VAL A 57 -0.201 -4.116 -1.181 1.00 0.00 C ATOM 832 O VAL A 57 0.090 -3.263 -2.018 1.00 0.00 O ATOM 833 CB VAL A 57 0.794 -6.466 -1.194 1.00 0.00 C ATOM 834 CG1 VAL A 57 0.097 -6.466 -2.557 1.00 0.00 C ATOM 835 CG2 VAL A 57 2.184 -7.098 -1.289 1.00 0.00 C ATOM 0 H VAL A 57 0.332 -5.946 1.197 1.00 0.00 H new ATOM 0 HA VAL A 57 1.841 -4.646 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 57 0.197 -7.072 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.054 -7.484 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.915 -6.076 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.655 -5.838 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.099 -8.104 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.816 -6.492 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.629 -7.149 -0.295 1.00 0.00 H new ATOM 845 N PRO A 58 -1.451 -4.313 -0.684 1.00 0.00 N ATOM 846 CA PRO A 58 -2.569 -3.497 -1.127 1.00 0.00 C ATOM 847 C PRO A 58 -2.507 -2.099 -0.510 1.00 0.00 C ATOM 848 O PRO A 58 -2.417 -1.103 -1.227 1.00 0.00 O ATOM 849 CB PRO A 58 -3.810 -4.274 -0.716 1.00 0.00 C ATOM 850 CG PRO A 58 -3.351 -5.259 0.347 1.00 0.00 C ATOM 851 CD PRO A 58 -1.833 -5.313 0.309 1.00 0.00 C ATOM 0 HA PRO A 58 -2.562 -3.323 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.577 -3.606 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.245 -4.794 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.697 -4.946 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.773 -6.247 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.404 -5.086 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.479 -6.305 0.028 1.00 0.00 H new ATOM 859 N GLN A 59 -2.558 -2.068 0.814 1.00 0.00 N ATOM 860 CA GLN A 59 -2.508 -0.808 1.536 1.00 0.00 C ATOM 861 C GLN A 59 -1.415 0.092 0.957 1.00 0.00 C ATOM 862 O GLN A 59 -1.696 1.196 0.493 1.00 0.00 O ATOM 863 CB GLN A 59 -2.291 -1.042 3.032 1.00 0.00 C ATOM 864 CG GLN A 59 -3.245 -2.114 3.563 1.00 0.00 C ATOM 865 CD GLN A 59 -4.033 -1.597 4.769 1.00 0.00 C ATOM 866 OE1 GLN A 59 -3.869 -2.050 5.890 1.00 0.00 O ATOM 867 NE2 GLN A 59 -4.895 -0.628 4.477 1.00 0.00 N ATOM 0 H GLN A 59 -2.633 -2.896 1.405 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.467 -0.304 1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.260 -1.347 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.446 -0.110 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.935 -2.415 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.679 -3.001 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.982 -0.295 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.469 -0.217 5.213 1.00 0.00 H new ATOM 876 N ALA A 60 -0.191 -0.413 1.003 1.00 0.00 N ATOM 877 CA ALA A 60 0.946 0.332 0.490 1.00 0.00 C ATOM 878 C ALA A 60 0.544 1.039 -0.806 1.00 0.00 C ATOM 879 O ALA A 60 0.718 2.250 -0.937 1.00 0.00 O ATOM 880 CB ALA A 60 2.131 -0.616 0.293 1.00 0.00 C ATOM 0 H ALA A 60 0.038 -1.329 1.388 1.00 0.00 H new ATOM 0 HA ALA A 60 1.256 1.098 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.984 -0.057 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.396 -1.071 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.858 -1.397 -0.417 1.00 0.00 H new ATOM 886 N MET A 61 0.013 0.253 -1.731 1.00 0.00 N ATOM 887 CA MET A 61 -0.416 0.789 -3.012 1.00 0.00 C ATOM 888 C MET A 61 -1.038 2.177 -2.845 1.00 0.00 C ATOM 889 O MET A 61 -0.572 3.146 -3.442 1.00 0.00 O ATOM 890 CB MET A 61 -1.439 -0.156 -3.645 1.00 0.00 C ATOM 891 CG MET A 61 -1.469 0.007 -5.166 1.00 0.00 C ATOM 892 SD MET A 61 -3.152 -0.071 -5.755 1.00 0.00 S ATOM 893 CE MET A 61 -3.369 -1.841 -5.841 1.00 0.00 C ATOM 0 H MET A 61 -0.130 -0.751 -1.619 1.00 0.00 H new ATOM 0 HA MET A 61 0.458 0.878 -3.658 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.193 -1.187 -3.391 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.428 0.046 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.021 0.960 -5.447 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.874 -0.776 -5.636 1.00 0.00 H new ATOM 0 HE1 MET A 61 -3.512 -2.140 -6.879 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.485 -2.336 -5.440 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.243 -2.129 -5.257 1.00 0.00 H new ATOM 903 N GLU A 62 -2.082 2.229 -2.030 1.00 0.00 N ATOM 904 CA GLU A 62 -2.773 3.482 -1.778 1.00 0.00 C ATOM 905 C GLU A 62 -1.793 4.529 -1.245 1.00 0.00 C ATOM 906 O GLU A 62 -1.733 5.646 -1.759 1.00 0.00 O ATOM 907 CB GLU A 62 -3.939 3.279 -0.809 1.00 0.00 C ATOM 908 CG GLU A 62 -5.269 3.198 -1.561 1.00 0.00 C ATOM 909 CD GLU A 62 -6.202 4.339 -1.149 1.00 0.00 C ATOM 910 OE1 GLU A 62 -5.712 5.489 -1.116 1.00 0.00 O ATOM 911 OE2 GLU A 62 -7.383 4.036 -0.876 1.00 0.00 O ATOM 0 H GLU A 62 -2.466 1.423 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.185 3.844 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.785 2.365 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.970 4.102 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.087 3.242 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.748 2.240 -1.358 1.00 0.00 H new ATOM 918 N TRP A 63 -1.051 4.133 -0.222 1.00 0.00 N ATOM 919 CA TRP A 63 -0.077 5.024 0.386 1.00 0.00 C ATOM 920 C TRP A 63 0.849 5.537 -0.719 1.00 0.00 C ATOM 921 O TRP A 63 1.223 6.709 -0.725 1.00 0.00 O ATOM 922 CB TRP A 63 0.675 4.324 1.519 1.00 0.00 C ATOM 923 CG TRP A 63 1.715 5.205 2.214 1.00 0.00 C ATOM 924 CD1 TRP A 63 1.652 5.747 3.438 1.00 0.00 C ATOM 925 CD2 TRP A 63 2.985 5.626 1.672 1.00 0.00 C ATOM 926 NE1 TRP A 63 2.783 6.484 3.723 1.00 0.00 N ATOM 927 CE2 TRP A 63 3.619 6.408 2.616 1.00 0.00 C ATOM 928 CE3 TRP A 63 3.578 5.355 0.427 1.00 0.00 C ATOM 929 CZ2 TRP A 63 4.880 6.983 2.412 1.00 0.00 C ATOM 930 CZ3 TRP A 63 4.837 5.937 0.239 1.00 0.00 C ATOM 931 CH2 TRP A 63 5.489 6.727 1.178 1.00 0.00 C ATOM 0 H TRP A 63 -1.104 3.207 0.202 1.00 0.00 H new ATOM 0 HA TRP A 63 -0.572 5.877 0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -0.046 3.977 2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.172 3.440 1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 63 0.821 5.623 4.116 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.971 6.991 4.588 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.100 4.746 -0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.357 7.591 3.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.337 5.760 -0.702 1.00 0.00 H new ATOM 0 HH2 TRP A 63 6.461 7.142 0.957 1.00 0.00 H new ATOM 942 N LEU A 64 1.191 4.634 -1.626 1.00 0.00 N ATOM 943 CA LEU A 64 2.067 4.981 -2.733 1.00 0.00 C ATOM 944 C LEU A 64 1.338 5.945 -3.671 1.00 0.00 C ATOM 945 O LEU A 64 1.956 6.831 -4.258 1.00 0.00 O ATOM 946 CB LEU A 64 2.579 3.717 -3.427 1.00 0.00 C ATOM 947 CG LEU A 64 3.731 2.989 -2.730 1.00 0.00 C ATOM 948 CD1 LEU A 64 3.920 1.584 -3.306 1.00 0.00 C ATOM 949 CD2 LEU A 64 5.018 3.813 -2.795 1.00 0.00 C ATOM 0 H LEU A 64 0.878 3.663 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 64 2.954 5.499 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.746 3.021 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.900 3.984 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 64 3.475 2.873 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.745 1.089 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.006 1.007 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.144 1.654 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.821 3.274 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.290 3.981 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.861 4.772 -2.302 1.00 0.00 H new ATOM 961 N ILE A 65 0.034 5.739 -3.783 1.00 0.00 N ATOM 962 CA ILE A 65 -0.786 6.579 -4.640 1.00 0.00 C ATOM 963 C ILE A 65 -0.930 7.963 -4.003 1.00 0.00 C ATOM 964 O ILE A 65 -0.674 8.977 -4.649 1.00 0.00 O ATOM 965 CB ILE A 65 -2.122 5.897 -4.938 1.00 0.00 C ATOM 966 CG1 ILE A 65 -1.910 4.566 -5.662 1.00 0.00 C ATOM 967 CG2 ILE A 65 -3.052 6.831 -5.716 1.00 0.00 C ATOM 968 CD1 ILE A 65 -2.970 3.543 -5.251 1.00 0.00 C ATOM 0 H ILE A 65 -0.475 5.002 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.305 6.722 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.610 5.672 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.951 4.724 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.917 4.178 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.995 6.322 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.241 7.729 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.583 7.108 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.796 2.606 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.911 3.369 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.960 3.924 -5.503 1.00 0.00 H new ATOM 980 N GLU A 66 -1.339 7.959 -2.742 1.00 0.00 N ATOM 981 CA GLU A 66 -1.520 9.202 -2.011 1.00 0.00 C ATOM 982 C GLU A 66 -0.189 9.949 -1.896 1.00 0.00 C ATOM 983 O GLU A 66 -0.125 11.152 -2.144 1.00 0.00 O ATOM 984 CB GLU A 66 -2.124 8.942 -0.630 1.00 0.00 C ATOM 985 CG GLU A 66 -3.521 9.555 -0.518 1.00 0.00 C ATOM 986 CD GLU A 66 -3.495 10.825 0.336 1.00 0.00 C ATOM 987 OE1 GLU A 66 -2.686 10.852 1.288 1.00 0.00 O ATOM 988 OE2 GLU A 66 -4.286 11.739 0.017 1.00 0.00 O ATOM 0 H GLU A 66 -1.550 7.116 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.219 9.829 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.179 7.868 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.476 9.362 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.900 9.789 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.206 8.830 -0.078 1.00 0.00 H new ATOM 995 N HIS A 67 0.840 9.204 -1.520 1.00 0.00 N ATOM 996 CA HIS A 67 2.165 9.781 -1.370 1.00 0.00 C ATOM 997 C HIS A 67 2.801 9.974 -2.748 1.00 0.00 C ATOM 998 O HIS A 67 3.839 10.622 -2.871 1.00 0.00 O ATOM 999 CB HIS A 67 3.025 8.929 -0.434 1.00 0.00 C ATOM 1000 CG HIS A 67 2.509 8.862 0.984 1.00 0.00 C ATOM 1001 ND1 HIS A 67 3.265 9.251 2.076 1.00 0.00 N ATOM 1002 CD2 HIS A 67 1.306 8.449 1.475 1.00 0.00 C ATOM 1003 CE1 HIS A 67 2.539 9.074 3.171 1.00 0.00 C ATOM 1004 NE2 HIS A 67 1.326 8.576 2.796 1.00 0.00 N ATOM 0 H HIS A 67 0.783 8.206 -1.315 1.00 0.00 H new ATOM 0 HA HIS A 67 2.087 10.763 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.088 7.917 -0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.038 9.330 -0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.477 8.081 0.888 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.853 9.287 4.182 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.560 8.340 3.427 1.00 0.00 H new ATOM 1012 N ALA A 68 2.151 9.399 -3.749 1.00 0.00 N ATOM 1013 CA ALA A 68 2.640 9.499 -5.114 1.00 0.00 C ATOM 1014 C ALA A 68 3.160 10.917 -5.362 1.00 0.00 C ATOM 1015 O ALA A 68 4.086 11.113 -6.148 1.00 0.00 O ATOM 1016 CB ALA A 68 1.524 9.109 -6.086 1.00 0.00 C ATOM 0 H ALA A 68 1.290 8.862 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 68 3.469 8.810 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.891 9.184 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.210 8.084 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.676 9.781 -5.954 1.00 0.00 H new ATOM 1022 N GLU A 69 2.542 11.868 -4.677 1.00 0.00 N ATOM 1023 CA GLU A 69 2.932 13.261 -4.813 1.00 0.00 C ATOM 1024 C GLU A 69 3.301 13.845 -3.448 1.00 0.00 C ATOM 1025 O GLU A 69 2.699 14.821 -3.002 1.00 0.00 O ATOM 1026 CB GLU A 69 1.821 14.078 -5.476 1.00 0.00 C ATOM 1027 CG GLU A 69 0.441 13.535 -5.101 1.00 0.00 C ATOM 1028 CD GLU A 69 -0.623 14.630 -5.190 1.00 0.00 C ATOM 1029 OE1 GLU A 69 -0.282 15.782 -4.844 1.00 0.00 O ATOM 1030 OE2 GLU A 69 -1.753 14.292 -5.603 1.00 0.00 O ATOM 0 H GLU A 69 1.774 11.701 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 69 3.810 13.311 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.900 15.121 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.943 14.053 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.177 12.712 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.468 13.131 -4.089 1.00 0.00 H new ATOM 1037 N ASP A 70 4.289 13.223 -2.822 1.00 0.00 N ATOM 1038 CA ASP A 70 4.746 13.668 -1.516 1.00 0.00 C ATOM 1039 C ASP A 70 6.203 14.124 -1.619 1.00 0.00 C ATOM 1040 O ASP A 70 6.986 13.546 -2.371 1.00 0.00 O ATOM 1041 CB ASP A 70 4.676 12.534 -0.492 1.00 0.00 C ATOM 1042 CG ASP A 70 3.933 12.876 0.801 1.00 0.00 C ATOM 1043 OD1 ASP A 70 2.708 13.104 0.708 1.00 0.00 O ATOM 1044 OD2 ASP A 70 4.607 12.901 1.854 1.00 0.00 O ATOM 0 H ASP A 70 4.786 12.414 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 70 4.101 14.485 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.191 11.675 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.692 12.229 -0.240 1.00 0.00 H new ATOM 1049 N PRO A 71 6.531 15.183 -0.831 1.00 0.00 N ATOM 1050 CA PRO A 71 7.880 15.723 -0.826 1.00 0.00 C ATOM 1051 C PRO A 71 8.833 14.809 -0.053 1.00 0.00 C ATOM 1052 O PRO A 71 9.871 14.405 -0.575 1.00 0.00 O ATOM 1053 CB PRO A 71 7.749 17.104 -0.206 1.00 0.00 C ATOM 1054 CG PRO A 71 6.421 17.104 0.535 1.00 0.00 C ATOM 1055 CD PRO A 71 5.629 15.892 0.072 1.00 0.00 C ATOM 0 HA PRO A 71 8.310 15.789 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.576 17.307 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.769 17.879 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.585 17.064 1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.869 18.022 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.337 15.264 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.712 16.189 -0.437 1.00 0.00 H new ATOM 1063 N THR A 72 8.446 14.509 1.178 1.00 0.00 N ATOM 1064 CA THR A 72 9.253 13.650 2.028 1.00 0.00 C ATOM 1065 C THR A 72 9.767 12.446 1.235 1.00 0.00 C ATOM 1066 O THR A 72 10.937 12.083 1.341 1.00 0.00 O ATOM 1067 CB THR A 72 8.410 13.261 3.244 1.00 0.00 C ATOM 1068 OG1 THR A 72 7.317 12.533 2.691 1.00 0.00 O ATOM 1069 CG2 THR A 72 7.752 14.471 3.911 1.00 0.00 C ATOM 0 H THR A 72 7.584 14.845 1.607 1.00 0.00 H new ATOM 0 HA THR A 72 10.143 14.169 2.384 1.00 0.00 H new ATOM 0 HB THR A 72 9.037 12.743 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.565 13.142 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.166 14.140 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.522 15.166 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.099 14.970 3.196 1.00 0.00 H new ATOM 1077 N ILE A 73 8.867 11.861 0.459 1.00 0.00 N ATOM 1078 CA ILE A 73 9.215 10.706 -0.351 1.00 0.00 C ATOM 1079 C ILE A 73 10.603 10.914 -0.959 1.00 0.00 C ATOM 1080 O ILE A 73 11.361 9.960 -1.126 1.00 0.00 O ATOM 1081 CB ILE A 73 8.124 10.432 -1.389 1.00 0.00 C ATOM 1082 CG1 ILE A 73 7.863 8.930 -1.526 1.00 0.00 C ATOM 1083 CG2 ILE A 73 8.470 11.078 -2.732 1.00 0.00 C ATOM 1084 CD1 ILE A 73 6.461 8.666 -2.078 1.00 0.00 C ATOM 0 H ILE A 73 7.897 12.165 0.374 1.00 0.00 H new ATOM 0 HA ILE A 73 9.268 9.810 0.267 1.00 0.00 H new ATOM 0 HB ILE A 73 7.198 10.890 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.608 8.487 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.972 8.448 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.679 10.868 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.566 12.156 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.412 10.671 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.301 7.591 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.718 9.090 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.364 9.129 -3.060 1.00 0.00 H new ATOM 1096 N ASP A 74 10.895 12.168 -1.273 1.00 0.00 N ATOM 1097 CA ASP A 74 12.179 12.514 -1.859 1.00 0.00 C ATOM 1098 C ASP A 74 12.346 11.771 -3.186 1.00 0.00 C ATOM 1099 O ASP A 74 12.477 10.548 -3.205 1.00 0.00 O ATOM 1100 CB ASP A 74 13.331 12.104 -0.940 1.00 0.00 C ATOM 1101 CG ASP A 74 14.598 12.951 -1.074 1.00 0.00 C ATOM 1102 OD1 ASP A 74 14.668 13.715 -2.061 1.00 0.00 O ATOM 1103 OD2 ASP A 74 15.468 12.817 -0.186 1.00 0.00 O ATOM 0 H ASP A 74 10.264 12.957 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 74 12.202 13.594 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.987 12.153 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.585 11.063 -1.142 1.00 0.00 H new ATOM 1108 N THR A 75 12.335 12.542 -4.264 1.00 0.00 N ATOM 1109 CA THR A 75 12.483 11.972 -5.592 1.00 0.00 C ATOM 1110 C THR A 75 13.460 12.806 -6.424 1.00 0.00 C ATOM 1111 O THR A 75 13.533 14.024 -6.265 1.00 0.00 O ATOM 1112 CB THR A 75 11.091 11.863 -6.218 1.00 0.00 C ATOM 1113 OG1 THR A 75 10.244 11.525 -5.123 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.968 10.669 -7.167 1.00 0.00 C ATOM 0 H THR A 75 12.226 13.556 -4.244 1.00 0.00 H new ATOM 0 HA THR A 75 12.914 10.972 -5.547 1.00 0.00 H new ATOM 0 HB THR A 75 10.863 12.781 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.321 11.436 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.961 10.638 -7.584 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.692 10.770 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.163 9.747 -6.619 1.00 0.00 H new ATOM 1122 N PRO A 76 14.204 12.099 -7.316 1.00 0.00 N ATOM 1123 CA PRO A 76 15.173 12.761 -8.173 1.00 0.00 C ATOM 1124 C PRO A 76 14.476 13.521 -9.304 1.00 0.00 C ATOM 1125 O PRO A 76 13.250 13.501 -9.407 1.00 0.00 O ATOM 1126 CB PRO A 76 16.079 11.649 -8.675 1.00 0.00 C ATOM 1127 CG PRO A 76 15.311 10.355 -8.457 1.00 0.00 C ATOM 1128 CD PRO A 76 14.144 10.657 -7.532 1.00 0.00 C ATOM 0 HA PRO A 76 15.751 13.520 -7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.320 11.787 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.023 11.639 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.953 9.959 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.959 9.596 -8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.196 10.363 -7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.233 10.112 -6.592 1.00 0.00 H new ATOM 1136 N LEU A 77 15.287 14.172 -10.125 1.00 0.00 N ATOM 1137 CA LEU A 77 14.764 14.936 -11.244 1.00 0.00 C ATOM 1138 C LEU A 77 14.661 14.029 -12.472 1.00 0.00 C ATOM 1139 O LEU A 77 15.147 12.899 -12.456 1.00 0.00 O ATOM 1140 CB LEU A 77 15.607 16.191 -11.477 1.00 0.00 C ATOM 1141 CG LEU A 77 15.574 17.238 -10.361 1.00 0.00 C ATOM 1142 CD1 LEU A 77 16.986 17.713 -10.013 1.00 0.00 C ATOM 1143 CD2 LEU A 77 14.651 18.402 -10.728 1.00 0.00 C ATOM 0 H LEU A 77 16.303 14.186 -10.037 1.00 0.00 H new ATOM 0 HA LEU A 77 13.757 15.292 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.642 15.886 -11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.273 16.663 -12.401 1.00 0.00 H new ATOM 0 HG LEU A 77 15.162 16.771 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 77 16.934 18.456 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 77 17.583 16.865 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.448 18.157 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.646 19.132 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.009 18.876 -11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.639 18.028 -10.886 1.00 0.00 H new ATOM 1155 N SER A 78 14.024 14.557 -13.507 1.00 0.00 N ATOM 1156 CA SER A 78 13.851 13.809 -14.740 1.00 0.00 C ATOM 1157 C SER A 78 14.401 14.611 -15.921 1.00 0.00 C ATOM 1158 O SER A 78 13.661 15.342 -16.577 1.00 0.00 O ATOM 1159 CB SER A 78 12.378 13.464 -14.973 1.00 0.00 C ATOM 1160 OG SER A 78 11.767 12.919 -13.807 1.00 0.00 O ATOM 0 H SER A 78 13.621 15.494 -13.517 1.00 0.00 H new ATOM 0 HA SER A 78 14.406 12.875 -14.654 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.840 14.361 -15.279 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.298 12.749 -15.792 1.00 0.00 H new ATOM 0 HG SER A 78 10.828 12.714 -13.996 1.00 0.00 H new ATOM 1166 N GLY A 79 15.695 14.448 -16.154 1.00 0.00 N ATOM 1167 CA GLY A 79 16.353 15.148 -17.244 1.00 0.00 C ATOM 1168 C GLY A 79 15.976 14.537 -18.595 1.00 0.00 C ATOM 1169 O GLY A 79 14.835 14.123 -18.797 1.00 0.00 O ATOM 0 H GLY A 79 16.305 13.841 -15.607 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.073 16.201 -17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.434 15.103 -17.110 1.00 0.00 H new ATOM 1173 N PRO A 80 16.983 14.498 -19.509 1.00 0.00 N ATOM 1174 CA PRO A 80 16.769 13.944 -20.835 1.00 0.00 C ATOM 1175 C PRO A 80 16.706 12.416 -20.787 1.00 0.00 C ATOM 1176 O PRO A 80 15.759 11.814 -21.290 1.00 0.00 O ATOM 1177 CB PRO A 80 17.926 14.465 -21.671 1.00 0.00 C ATOM 1178 CG PRO A 80 18.991 14.906 -20.679 1.00 0.00 C ATOM 1179 CD PRO A 80 18.346 14.978 -19.305 1.00 0.00 C ATOM 0 HA PRO A 80 15.815 14.246 -21.268 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.308 13.690 -22.335 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.610 15.297 -22.300 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.823 14.202 -20.674 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.397 15.877 -20.961 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.880 14.359 -18.584 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.353 15.997 -18.917 1.00 0.00 H new ATOM 1187 N SER A 81 17.728 11.832 -20.179 1.00 0.00 N ATOM 1188 CA SER A 81 17.801 10.386 -20.059 1.00 0.00 C ATOM 1189 C SER A 81 16.517 9.848 -19.425 1.00 0.00 C ATOM 1190 O SER A 81 15.772 10.596 -18.793 1.00 0.00 O ATOM 1191 CB SER A 81 19.018 9.963 -19.234 1.00 0.00 C ATOM 1192 OG SER A 81 20.243 10.335 -19.859 1.00 0.00 O ATOM 0 H SER A 81 18.513 12.334 -19.764 1.00 0.00 H new ATOM 0 HA SER A 81 17.909 9.965 -21.058 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.962 10.419 -18.246 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.999 8.883 -19.088 1.00 0.00 H new ATOM 0 HG SER A 81 20.995 10.049 -19.300 1.00 0.00 H new ATOM 1198 N SER A 82 16.298 8.555 -19.615 1.00 0.00 N ATOM 1199 CA SER A 82 15.116 7.908 -19.069 1.00 0.00 C ATOM 1200 C SER A 82 13.896 8.815 -19.243 1.00 0.00 C ATOM 1201 O SER A 82 13.475 9.482 -18.299 1.00 0.00 O ATOM 1202 CB SER A 82 15.312 7.558 -17.593 1.00 0.00 C ATOM 1203 OG SER A 82 15.822 8.660 -16.846 1.00 0.00 O ATOM 0 H SER A 82 16.918 7.938 -20.139 1.00 0.00 H new ATOM 0 HA SER A 82 14.951 6.979 -19.615 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.361 7.240 -17.166 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.997 6.714 -17.508 1.00 0.00 H new ATOM 0 HG SER A 82 15.350 9.478 -17.106 1.00 0.00 H new ATOM 1209 N GLY A 83 13.363 8.811 -20.456 1.00 0.00 N ATOM 1210 CA GLY A 83 12.200 9.625 -20.764 1.00 0.00 C ATOM 1211 C GLY A 83 10.919 8.790 -20.718 1.00 0.00 C ATOM 1212 O GLY A 83 10.067 8.904 -21.598 1.00 0.00 O ATOM 0 H GLY A 83 13.715 8.257 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.128 10.447 -20.052 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.314 10.069 -21.753 1.00 0.00 H new TER 1216 GLY A 83